X2JDW0_DROME Loading...

NMDA receptor 2, isoform G

AlphaFold DB , UniProt , Accession X2JDW0, Species DROME (Drosophila melanogaster, Fruit fly), Gene Nmdar2, Length 1,082 aa.

						>X2JDW0_DROME|X2JDW0|Nmdar2
MMPSRVKLKRGTDGPTPTPTPMPTTMRKHTPIATLNTASCQHNSTTSRRKRILTPPSGPISLLLLTVLTLLILDTRSCQGLRLTNGGGSLSKGAAANKEQLNIGLIAPHTNFGKREYLRSINNAVTGLTKTRGAKLTFLKDYSFEQKNIHFDMMSLTPSPTAILSTLCKEFLRVNVSAILYMMNNEQFGHSTASAQYFLQLAGYLGIPVISWNADNSGLERRASQSTLQLQLAPSIEHQSAAMLSILERYKWHQFSVVTSQIAGHDDFVQAVRERVAEMQEHFKFTILNSIVVTRTSDLMELVNSEARVMLLYATQTEAITILRAAEEMKLTGENYVWVVSQSVIEKKDAHSQFPVGMLGVHFDTSSAALMNEISNAIKIYSYGVEAYLTDPANRDRRLTTQSLSCEDEGRGRWDNGEIFFKYLRNVSIEGDLNKPNIEFTADGDLRSAELKIMNLRPSANNKNLVWEEIGVWKSWETQKLDIRDIAWPGNSHAPPQGVPEKFHLKITFLEEAPYINLSPADPVSGKCLMDRGVLCRVAADHEMAADIDVGQAHRNESFYQCCSGFCIDLLEKFAEELGFTYELVRVEDGKWGTLENGKWNGLIADLVNRKTDMVLTSLMINTEREAVVDFSEPFMETGIAIVVAKRTGIISPTAFLEPFDTASWMLVGIVAIQAATFMIFLFEWLSPSGYDMKLYLQNTNVTPYRFSLFRTYWLVWAVLFQAAVHVDSPRGFTSRFMTNVWALFAVVFLAIYTANLAAFMITREEFHEFSGLNDSRLVHPFSHKPSFKFGTIPYSHTDSTIHKYFNVMHNYMRQYNKTSVADGVAAVLNGNLDSFIYDGTVLDYLVAQDEDCRLMTVGSWYAMTGYGLAFSRNSKYVQMFNKRLLEFRANGDLERLRRYWMTGTCRPGKQEHKSSDPLALEQFLSAFLLLMAGILLAALLLLLEHVYFKYIRKRLAKKDGGHCCALISLSMGKSLTFRGAVFEATEILKKHRCNDPICDTHLWKVKHELDMSRLRVRQLEKVMDKHGIKAPQLRLASSSDLLNHHHLKERPPLLGNLSLAASAQDLYRSYKTEIAEMETVL
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.8	Very low	31.5	Very low	250 Å²	250	178.4 Å²	178.4	100%	1.232	90%	0.9	S	S	*	*				0	150.2	0	-75.7	169.6	164.8	0	0	109.2
2	M	27.3	Very low	31.6	Very low	185 Å²	185	174 Å²	174	91%	0.911	89%	0.89	S	S	*	*			trans	-100.4	171.3	158.1	-94.3	-160.5	-174.4	0	0	108.8
3	P	54	Low	31.5	Very low	111 Å²	111	172.6 Å²	172.6	72%	0.721	89%	0.885	S	S	*	*			cis	-121.4	-177	-5.8	38.5	-21.5	0	0	0	111.8
4	S	28.9	Very low	31.2	Very low	116 Å²	116	165.9 Å²	165.9	81%	0.811	88%	0.88	S	S	*	*				179.2	160.6	87.2	46.4	0	0	0	0	112.8
5	R	32.3	Very low	32.2	Very low	246 Å²	246	163.3 Å²	163.3	93%	0.928	88%	0.876	S	S	*	*			trans	-93.2	150.6	-177.5	-65.3	169.4	168.9	159.4	-7.1	111.6
6	V	28.6	Very low	32.1	Very low	147 Å²	147	161.6 Å²	161.6	89%	0.891	87%	0.874	S	S	*	*			trans	-114.5	144.4	159.2	-179.5	0	0	0	0	109.6
7	K	29.6	Very low	33.1	Very low	198 Å²	198	158.5 Å²	158.5	86%	0.861	86%	0.864	S	S	*	*			trans	-110.6	155.2	178.9	-98.1	-175.7	173.1	-178.1	0	110.9
8	L	32.9	Very low	33.1	Very low	169 Å²	169	156.7 Å²	156.7	89%	0.885	86%	0.859	S	S	*	*			trans	-61.2	153.1	172.5	-68.1	77.8	0	0	0	112.6
9	K	26	Very low	33.8	Very low	213 Å²	213	155.2 Å²	155.2	93%	0.926	86%	0.858	S	S	*	*			trans	-146.5	147.5	142.8	-124.4	-179.5	-179.7	-174.3	0	110.6
10	R	33.3	Very low	33.7	Very low	250 Å²	250	153.9 Å²	153.9	94%	0.943	85%	0.854	S	S	*	*			trans	-88.4	157.3	172.9	-73.7	-179.8	174.7	167.6	-3.4	110.8
11	G	26	Very low	34.1	Very low	77 Å²	77	152.5 Å²	152.5	79%	0.794	85%	0.852	S	S	*	*			trans	-154	146.7	157.3	0	0	0	0	0	109
12	T	33	Very low	34.1	Very low	126 Å²	126	149.1 Å²	149.1	77%	0.773	84%	0.836	S	S	*	*			trans	-125.9	158.6	176.1	50.9	0	0	0	0	109.5
13	D	30.2	Very low	35.3	Very low	156 Å²	156	145 Å²	145	83%	0.834	82%	0.823	S	S	*	*				154.2	143.5	127.8	-75.3	-2.4	0	0	0	113.2
14	G	27.6	Very low	34	Very low	79 Å²	79	146.6 Å²	146.6	81%	0.814	83%	0.83	S	S	*	*			trans	93.3	110.2	149.2	0	0	0	0	0	120.8
15	P	46.3	Very low	34	Very low	126 Å²	126	147.2 Å²	147.2	82%	0.818	83%	0.83	S	S	*	*			trans	-120.4	152.7	163	38.6	-28.1	0	0	0	114.6
16	T	30.3	Very low	33.7	Very low	136 Å²	136	144.5 Å²	144.5	83%	0.834	83%	0.83	S	S	*	*			trans	-155.5	169.8	173.9	55.8	0	0	0	0	110.7
17	P	48.4	Very low	33.7	Very low	109 Å²	109	148.7 Å²	148.7	71%	0.708	83%	0.829	S	S	*	*			cis	-135	173.6	-47.2	39.2	-23.6	0	0	0	115.7
18	T	33.1	Very low	33.7	Very low	126 Å²	126	147.9 Å²	147.9	77%	0.773	83%	0.826	S	S	*	*			trans	-22	154.2	159.6	58	0	0	0	0	119.9
19	P	46.8	Very low	33.5	Very low	129 Å²	129	147.5 Å²	147.5	84%	0.838	82%	0.819	S	S	*	*				-146.5	172.1	77.5	39.3	-20.2	0	0	0	118.7
20	T	31.5	Very low	33.6	Very low	128 Å²	128	143.2 Å²	143.2	79%	0.785	81%	0.811	S	S	*	*			trans	-105.5	179.4	-179	53.8	0	0	0	0	112.9
21	P	42	Very low	34.2	Very low	125 Å²	125	136.1 Å²	136.1	81%	0.812	80%	0.797	S	S	*	*				-136.4	172	121.7	38.7	-29.2	0	0	0	115.9
22	M	28.3	Very low	34.3	Very low	180 Å²	180	140.3 Å²	140.3	89%	0.887	80%	0.8	S	S	*	*			trans	-137.9	-171.4	174.6	-119.9	-161.6	-167	0	0	107
23	P	52.5	Low	34.1	Very low	98 Å²	98	137.9 Å²	137.9	64%	0.636	79%	0.792	S	S	*	*			cis	-135.1	-175.3	3.1	43	-26.5	0	0	0	115.5
24	T	25.7	Very low	33.9	Very low	144 Å²	144	136 Å²	136	88%	0.883	79%	0.787	S	S	*	*			trans	-164	167.7	130.4	12.1	0	0	0	0	110.4
25	T	30.3	Very low	33.9	Very low	130 Å²	130	139.3 Å²	139.3	80%	0.798	79%	0.785	S	S	*	*			trans	-142.1	157.4	-160	55.2	0	0	0	0	114.4
26	M	25.6	Very low	32.9	Very low	189 Å²	189	139.4 Å²	139.4	93%	0.931	78%	0.779	S	S	*	*			trans	-159	164.7	145.8	-98.2	-70.6	174	0	0	109.2
27	R	28.3	Very low	32.7	Very low	234 Å²	234	138.8 Å²	138.8	88%	0.883	78%	0.775	S	S	*	*			trans	-135.7	161.3	-169.8	-91.6	-176.6	171.1	179.8	-2	112.8
28	K	29.6	Very low	31.6	Very low	182 Å²	182	137.8 Å²	137.8	79%	0.791	78%	0.776	S	S	*	*			trans	129.3	141	144.9	-72.9	-179.8	168.3	-176.4	0	112.1
29	H	28.8	Very low	31.1	Very low	161 Å²	161	136.5 Å²	136.5	75%	0.745	77%	0.772	S	S	*	*			cis	-143.6	166.1	-10.3	-113.2	-64.5	0	0	0	110
30	T	27.6	Very low	30	Very low	123 Å²	123	136.3 Å²	136.3	76%	0.755	77%	0.772	S	S	*	*			trans	-98.9	-170.6	-179.6	53.3	0	0	0	0	110.2
31	P	46.8	Very low	29.6	Very low	100 Å²	100	139.9 Å²	139.9	65%	0.649	78%	0.78	S	S	*	*			cis	-145.8	173.6	5.4	42	-21.8	0	0	0	119.4
32	I	28.3	Very low	28.8	Very low	166 Å²	166	141.9 Å²	141.9	85%	0.851	78%	0.778	S	S	*	*			trans	68.1	145.7	143.4	-76.9	162.2	0	0	0	118.3
33	A	28	Very low	28.7	Very low	74 Å²	74	139.5 Å²	139.5	61%	0.612	77%	0.769	S	S	*	*			cis	-177.9	171.9	-18.9	0	0	0	0	0	109.3
34	T	27	Very low	27.4	Very low	117 Å²	117	139.8 Å²	139.8	72%	0.718	77%	0.774	S	S	*	*			cis	-169.4	144.6	-43.5	42.3	0	0	0	0	109.1
35	L	26.7	Very low	27.5	Very low	149 Å²	149	138.6 Å²	138.6	78%	0.78	77%	0.766	S	S	*	*			trans	67	158.8	154.1	-91.2	81.9	0	0	0	118.4
36	N	24.8	Very low	27.4	Very low	128 Å²	128	138.7 Å²	138.7	68%	0.684	77%	0.767	S	S	*	*			cis	-168	-178.7	-28.6	-133.9	2.4	0	0	0	111.9
37	T	25.8	Very low	27.3	Very low	122 Å²	122	134.5 Å²	134.5	75%	0.748	76%	0.756	S	S	*	*			trans	67.1	132.6	158.3	45.1	0	0	0	0	117.9
38	A	26	Very low	27.2	Very low	88 Å²	88	133.8 Å²	133.8	73%	0.727	75%	0.753	S	S	*	*			cis	80.5	150	42.6	0	0	0	0	0	113.5
39	S	23.4	Very low	27	Very low	100 Å²	100	135.5 Å²	135.5	70%	0.699	76%	0.755	S	S	*	*			cis	-179.3	154.6	-19.1	52.8	0	0	0	0	109.2
40	C	23.8	Very low	26.9	Very low	125 Å²	125	136.9 Å²	136.9	85%	0.845	76%	0.759	S	S	*	*			trans	62.7	133.9	158.9	-58.8	0	0	0	0	120.6
41	Q	23.2	Very low	26.8	Very low	203 Å²	203	142 Å²	142	95%	0.949	76%	0.764	S	S	*	*			trans	-158.5	166.1	134.8	-120.8	-179.9	9.4	0	0	112.3
42	H	25.3	Very low	25.8	Very low	167 Å²	167	144.1 Å²	144.1	77%	0.773	77%	0.768	S	S	*	*			trans	-135	151.8	-170.4	-136.7	-61.1	0	0	0	110.6
43	N	24.9	Very low	25.7	Very low	129 Å²	129	143.6 Å²	143.6	69%	0.69	77%	0.767	S	S	*	*			trans	67.2	110.5	155	-75.1	-2.3	0	0	0	122.4
44	S	25.1	Very low	25.7	Very low	105 Å²	105	145.8 Å²	145.8	73%	0.734	77%	0.772	S	S	*	*				103	166.5	109.6	78	0	0	0	0	121.4
45	T	28.1	Very low	26.4	Very low	119 Å²	119	145.5 Å²	145.5	73%	0.73	77%	0.773	S	S	*	*			trans	81	84.9	169	65.1	0	0	0	0	122
46	T	27.9	Very low	27.6	Very low	132 Å²	132	143.6 Å²	143.6	81%	0.81	77%	0.769	S	S	*	*				53.2	111.4	123.8	53.9	0	0	0	0	123.1
47	S	24.2	Very low	27.7	Very low	100 Å²	100	143.3 Å²	143.3	70%	0.699	78%	0.777	S	S	*	*				93.5	123.5	115.4	-158.7	0	0	0	0	122.5
48	R	26.2	Very low	27.7	Very low	219 Å²	219	140.7 Å²	140.7	83%	0.826	78%	0.775	S	S	*	*			trans	83.8	121	144.6	-86.3	175.2	178.5	-169.3	1.3	122.7
49	R	25.7	Very low	28.8	Very low	218 Å²	218	142 Å²	142	82%	0.823	78%	0.775	S	S	*	*			trans	100.5	113.2	138	-77.1	-177.9	171.3	-174.2	-1	121
50	K	26	Very low	29.2	Very low	191 Å²	191	144.5 Å²	144.5	83%	0.83	78%	0.78	S	S	*	*			trans	54.7	91.6	134.2	-67.6	-169.8	172.2	-171.6	0	120.1
51	R	24.7	Very low	29.5	Very low	230 Å²	230	143.4 Å²	143.4	87%	0.868	77%	0.773	S	S	*	*				51.9	144.8	102.8	-155.7	-156.6	-83.3	-162.7	-5.3	119.4
52	I	25.8	Very low	29.9	Very low	144 Å²	144	140 Å²	140	74%	0.738	76%	0.761	S	S	*	*			trans	81.6	121.9	167	-38.4	176.6	0	0	0	111.4
53	L	26.5	Very low	30.1	Very low	156 Å²	156	139.1 Å²	139.1	82%	0.817	76%	0.761	S	S	*	*				-151.7	167.7	55.9	-155.6	86.4	0	0	0	113.6
54	T	27.5	Very low	30.4	Very low	119 Å²	119	139.5 Å²	139.5	73%	0.73	76%	0.762	S	S	*	*			trans	-87.3	-167.8	166.4	51	0	0	0	0	109.7
55	P	42.3	Very low	30.8	Very low	112 Å²	112	141.4 Å²	141.4	73%	0.727	76%	0.763	S	S	*	*			cis	-138.1	-127	14.8	33	-2.8	0	0	0	116.4
56	P	52.9	Low	31.2	Very low	109 Å²	109	141.4 Å²	141.4	71%	0.708	76%	0.764	S	S	*	*				-139	-165.7	-108.5	46.9	-28	0	0	0	118
57	S	26.6	Very low	31.5	Very low	121 Å²	121	140.8 Å²	140.8	85%	0.846	76%	0.759	S	S	*	*			trans	93.5	148.1	149.7	72.5	0	0	0	0	121.6
58	G	26.4	Very low	32	Very low	68 Å²	68	143.1 Å²	143.1	70%	0.701	76%	0.763	S	S	*	*			trans	-110	-129.3	175.6	0	0	0	0	0	111.5
59	P	49.3	Very low	32.6	Very low	114 Å²	114	138 Å²	138	74%	0.74	76%	0.756	S	S	*	*			cis	-149	-179	-2.4	44.6	-25	0	0	0	118
60	I	30.9	Very low	32.9	Very low	154 Å²	154	134.3 Å²	134.3	79%	0.79	75%	0.752	S	S	*	*			trans	74.7	144.8	141.9	-78.6	159.9	0	0	0	123.8
61	S	30.1	Very low	33.2	Very low	101 Å²	101	131.7 Å²	131.7	71%	0.706	75%	0.747	S	S	*	*			trans	80.4	150.3	158.4	-82.6	0	0	0	0	120.5
62	L	32.3	Very low	33.4	Very low	131 Å²	131	128 Å²	128	69%	0.686	74%	0.743	S	S	*	*			cis	-157.5	177.1	-0.7	-128.6	160.1	0	0	0	112.6	L64	L62-L64 HydrophobicContact CD2-CD1 4.18Å
63	L	29.8	Very low	33.4	Very low	149 Å²	149	127.4 Å²	127.4	78%	0.78	74%	0.74	S	S	*	*			trans	78.3	118.4	175.7	-59.9	122.7	0	0	0	115.9
64	L	30.4	Very low	33.4	Very low	137 Å²	137	125.2 Å²	125.2	72%	0.717	73%	0.729	S	S	*	*			cis	73.6	128.2	48.5	-59.3	166.5	0	0	0	111.3	L62	L62-L64 HydrophobicContact CD2-CD1 4.18Å
65	L	32.8	Very low	33.4	Very low	145 Å²	145	124.2 Å²	124.2	76%	0.759	72%	0.723	S	S	*	*			cis	-151.3	169.4	13.4	-124.8	66.4	0	0	0	106.4
66	T	36	Very low	32.7	Very low	120 Å²	120	128.3 Å²	128.3	74%	0.736	72%	0.724	S	S	*	*			cis	-171.1	-168.4	-25	28.6	0	0	0	0	106
67	V	35.1	Very low	31.4	Very low	118 Å²	118	128.6 Å²	128.6	72%	0.715	73%	0.729	S	S	*	*			cis	-161.6	159.8	9	90	0	0	0	0	109.6
68	L	35.5	Very low	31.4	Very low	149 Å²	149	128 Å²	128	78%	0.78	72%	0.723	S	S	*	*			trans	41	139	167.1	-89.2	69.1	0	0	0	120.7
69	T	37.8	Very low	31.5	Very low	111 Å²	111	134.1 Å²	134.1	68%	0.681	73%	0.734	S	S	*	*			cis	-166.3	-171.1	-14.9	9.3	0	0	0	0	106
70	L	32.6	Very low	30.5	Very low	142 Å²	142	132.3 Å²	132.3	74%	0.743	74%	0.735	S	S	*	*			cis	-138.1	158	18.6	-97.2	95.1	0	0	0	108.8
71	L	31.2	Very low	30.3	Very low	135 Å²	135	133.4 Å²	133.4	71%	0.707	74%	0.742	S	S	*	*				54.7	127.3	79.5	-69.9	169.8	0	0	0	115	L73	L71-L73 HydrophobicContact CD2-CD1 4.35Å
72	I	28.8	Very low	30.3	Very low	154 Å²	154	139.9 Å²	139.9	79%	0.79	75%	0.751	S	S	*	*			cis	-139.7	169.9	24.9	-106.1	145.2	0	0	0	115.1
73	L	26.2	Very low	30.1	Very low	131 Å²	131	141.9 Å²	141.9	69%	0.686	76%	0.761	S	S	*	*			trans	-62.7	170.3	-167	-62.8	73.6	0	0	0	117.4	L71	L71-L73 HydrophobicContact CD2-CD1 4.35Å
74	D	26.2	Very low	30.3	Very low	109 Å²	109	140.7 Å²	140.7	58%	0.583	76%	0.761	S	S	*	*			cis	82.3	144.4	17.6	-159.2	94.5	0	0	0	114.9	R76	D74-R76 IonicContact OD1-NH2 3.26Å; D74-R76 PolarHBondContact OD1-NH2 2.81Å; D74-R76 VanDerWaalsContact OD1-NH2 3.1Å; D74-R76 IonicContact OD2-CZ 3.92Å; D74-R76 IonicContact OD2-NE 2.77Å; D74-R76 IonicContact OD2-NH2 3.59Å; D74-R76 PolarHBondContact OD2-NH2 3.1Å
75	T	28.8	Very low	30.3	Very low	98 Å²	98	142.3 Å²	142.3	60%	0.601	77%	0.77	S	S	*	*			cis	-154.4	-137.2	-34.3	41.1	0	0	0	0	106.4
76	R	27.6	Very low	30.2	Very low	198 Å²	198	138.9 Å²	138.9	75%	0.747	77%	0.77	S	S	*	*			cis	-160.4	128	-3.4	-136.6	171.2	-88.4	-132.3	-12.5	113.3	D74	D74-R76 IonicContact OD1-NH2 3.26Å; D74-R76 PolarHBondContact OD1-NH2 2.81Å; D74-R76 VanDerWaalsContact OD1-NH2 3.1Å; D74-R76 IonicContact OD2-CZ 3.92Å; D74-R76 IonicContact OD2-NE 2.77Å; D74-R76 IonicContact OD2-NH2 3.59Å; D74-R76 PolarHBondContact OD2-NH2 3.1Å
77	S	25.8	Very low	29.8	Very low	116 Å²	116	137.1 Å²	137.1	81%	0.811	78%	0.775	S	S	*	*			trans	87.3	168.5	133.9	-143.5	0	0	0	0	125.3
78	C	24.9	Very low	29.8	Very low	107 Å²	107	135.6 Å²	135.6	72%	0.723	78%	0.783	S	S	*	*			trans	-73.3	157.3	-161.2	-59.4	0	0	0	0	120.2
79	Q	30.2	Very low	29.4	Very low	198 Å²	198	134 Å²	134	93%	0.925	79%	0.785	S	S	*	*			trans	29.2	128.6	138.7	-63.1	-178.6	-15.2	0	0	121.4
80	G	26.6	Very low	29.5	Very low	75 Å²	75	136.9 Å²	136.9	77%	0.773	80%	0.795	S	S	*	*			trans	-149.6	155.1	165.4	0	0	0	0	0	112.7
81	L	27.1	Very low	29.3	Very low	177 Å²	177	135.6 Å²	135.6	93%	0.927	80%	0.798	S	S	*	*			trans	-65.7	160	-167.8	-91.3	63.7	0	0	0	116.1
82	R	30.3	Very low	29.7	Very low	238 Å²	238	139.3 Å²	139.3	90%	0.898	81%	0.808	S	S	*	*			trans	-67.2	142	158.9	-75.6	179.3	172	173.2	-3	111.1
83	L	27.8	Very low	29.8	Very low	172 Å²	172	135.2 Å²	135.2	90%	0.901	80%	0.804	S	S	*	*			trans	-142.2	149	143.9	-112.3	168.1	0	0	0	109
84	T	35.3	Very low	30	Very low	125 Å²	125	133.9 Å²	133.9	77%	0.767	81%	0.812	S	S	*	*			trans	-100.6	137	-172.9	49.4	0	0	0	0	111.7
85	N	28.7	Very low	30.5	Very low	171 Å²	171	133.5 Å²	133.5	91%	0.914	82%	0.824	S	S	*	*			trans	-149.8	152	143.9	-138.4	-15.1	0	0	0	112
86	G	32.4	Very low	31.2	Very low	73 Å²	73	132.8 Å²	132.8	75%	0.753	83%	0.828	S	S	*	*			trans	-90.8	154.6	179.5	0	0	0	0	0	112.5
87	G	27	Very low	32.7	Very low	82 Å²	82	131.5 Å²	131.5	85%	0.845	84%	0.836	S	S	*	*			trans	-179.9	81.3	178.5	0	0	0	0	0	111.4
88	G	35	Very low	34.8	Very low	86 Å²	86	130.4 Å²	130.4	89%	0.887	82%	0.817	S	S	*	*			trans	-85.3	132.9	175.6	0	0	0	0	0	111.6
89	S	26.1	Very low	37.2	Very low	117 Å²	117	128.8 Å²	128.8	82%	0.818	80%	0.798	S	S	*	*			trans	-143.5	149.8	161.8	65	0	0	0	0	110.8
90	L	39.8	Very low	39.7	Very low	170 Å²	170	125 Å²	125	89%	0.89	78%	0.781	S	S	*	*			trans	-67.9	142	175.7	-90.5	56.7	0	0	0	110.7
91	S	28.4	Very low	42.6	Very low	115 Å²	115	121.7 Å²	121.7	80%	0.804	75%	0.746	S	S	*	*			trans	-137.3	115.5	142.3	56.7	0	0	0	0	110.4
92	K	40.8	Very low	45.5	Very low	213 Å²	213	113.9 Å²	113.9	93%	0.926	71%	0.705	S	S	*	*			trans	-79.7	113.4	155.9	-77.3	-177.9	174.3	-179.6	0	106.1
93	G	29.7	Very low	48.5	Very low	69 Å²	69	102.6 Å²	102.6	71%	0.711	66%	0.662	S	S	*	*			trans	-111.2	146.5	174.8	0	0	0	0	0	110.8
94	A	31.5	Very low	51.5	Low	103 Å²	103	94.4 Å²	94.4	85%	0.851	62%	0.619	S	S	*	*			trans	-56.3	140.4	-172.9	0	0	0	0	0	113.5	A96	A94-A96 PolarHBondContact O-N 3.2Å
95	A	37	Very low	54.2	Low	100 Å²	100	88.5 Å²	88.5	83%	0.826	58%	0.583	S	S	*	*			trans	-73.4	109	166.2	0	0	0	0	0	109
96	A	43.5	Very low	57.1	Low	84 Å²	84	80.3 Å²	80.3	69%	0.694	54%	0.539	S	S	*	.			trans	-67.6	141.2	163.5	0	0	0	0	0	109.3	A94 K98	A94-A96 PolarHBondContact O-N 3.2Å; A96-K98 PolarHBondContact O-N 2.67Å
97	N	58.4	Low	59.8	Low	171 Å²	171	77 Å²	77	91%	0.914	50%	0.504	S	S	*	.			trans	-67.7	98.4	171.4	-84.1	-9.9	0	0	0	109.1
98	K	69.8	Low	62.6	Low	93 Å²	93	73.1 Å²	73.1	40%	0.404	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-70.4	143.2	172.6	-57.8	-161.5	-168.9	-159.7	0	110.6	A96 L139 K140 D141 Y142	A96-K98 PolarHBondContact O-N 2.67Å; K98-L139 PolarHBondContact NZ-O 2.71Å; K98-K140 WeakPolarHBondContact CD-O 3.36Å; K98-K140 WeakPolarHBondContact CE-O 3.44Å; K98-K140 PolarHBondContact NZ-O 3.37Å; K98-D141 WeakPolarHBondContact CA-O 3.4Å; K98-D141 VanDerWaalsContact CB-O 3.3Å; K98-D141 WeakPolarHBondContact CB-O 3.37Å; K98-Y142 WeakPolarHBondContact CD-O 3.07Å
99	E	76.1	Confident	65	Low	72 Å²	72	74.3 Å²	74.3	34%	0.336	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	152.4	171.2	-69.1	-171.6	-178.9	0	0	110.6	D141 Y142 S143 R398	E99-D141 PolarHBondContact N-O 2.88Å; E99-Y142 HydrophobicContact CB-CD1 3.58Å; E99-Y142 HydrophobicContact CB-CE1 3.52Å; E99-Y142 CarbonylContact O-C 3.54Å; E99-Y142 VanDerWaalsContact O-CA 3.28Å; E99-Y142 WeakPolarHBondContact O-CA 3.37Å; E99-S143 PolarHBondContact O-N 2.89Å; E99-R398 VanDerWaalsContact CD-NH1 3.28Å; E99-R398 IonicContact OE1-CZ 3.65Å; E99-R398 IonicContact OE1-NH1 3.64Å; E99-R398 PolarHBondContact OE1-NH1 2.86Å; E99-R398 IonicContact OE1-NH2 3.1Å; E99-R398 PolarHBondContact OE1-NH2 2.7Å; E99-R398 IonicContact OE2-NH1 2.81Å; E99-R398 PolarHBondContact OE2-NH1 3.46Å
100	Q	82.1	Confident	67.5	Low	119 Å²	119	71 Å²	71	56%	0.556	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	127.3	-177	-65.9	-176.3	9.7	0	0	110.3
101	L	86.8	Confident	68.9	Low	6 Å²	6	69.7 Å²	69.7	3%	0.031	42%	0.416	C	S	.	.			trans	-103.6	107.6	173.3	-79.3	170	0	0	0	109.4	F138 Y142 N148 V385 L399	L101-F138 HydrophobicContact CD1-CD2 4.09Å; L101-F138 HydrophobicContact CD1-CE2 4.37Å; L101-Y142 HydrophobicContact CD1-CD1 3.82Å; L101-Y142 HydrophobicContact CD1-CD2 4.15Å; L101-Y142 HydrophobicContact CD1-CE1 4.49Å; L101-Y142 HydrophobicContact CD1-CG 3.63Å; L101-Y142 HydrophobicContact CD2-CD1 4.26Å; L101-Y142 HydrophobicContact CD2-CE1 4.35Å; L101-Y142 HydrophobicContact CG-CD1 3.59Å; L101-Y142 HydrophobicContact CG-CE1 4.17Å; L101-Y142 HydrophobicContact CG-CG 3.94Å; L101-N148 WeakPolarHBondContact O-CB 3.17Å; L101-V385 HydrophobicContact CD1-CG1 3.78Å; L101-L399 HydrophobicContact CD2-CB 3.93Å; L101-L399 HydrophobicContact CD2-CD1 4.04Å
102	N	89.8	Confident	70.5	Confident	13 Å²	13	72.8 Å²	72.8	7%	0.07	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	145.3	-174.6	-58.8	-31.4	0	0	0	111.6	N148 V174 V176 S177	N102-N148 VanDerWaalsContact CA-O 3.31Å; N102-N148 WeakPolarHBondContact CA-O 3.5Å; N102-N148 PolarHBondContact OD1-ND2 3.16Å; N102-V174 HydrophobicContact CB-CG1 4.47Å; N102-V174 WeakPolarHBondContact ND2-CG1 3.47Å; N102-V174 PolarHBondContact ND2-O 3.09Å; N102-V176 WeakPolarHBondContact O-CA 3.41Å; N102-S177 PolarHBondContact O-N 3.42Å; N102-S177 PolarHBondContact O-OG 3Å
103	I	91.7	Very high	71.7	Confident	0 Å²	0	63 Å²	63	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.4	-179	-53	176.3	0	0	0	108.8	F144 N148 I149 H150 L180 Y381	I103-F144 HydrophobicContact CD1-CE2 3.47Å; I103-F144 VanDerWaalsContact CD1-CE2 3.47Å; I103-F144 HydrophobicContact CD1-CZ 3.53Å; I103-F144 HydrophobicContact CG1-CE2 4.06Å; I103-N148 PolarHBondContact N-O 3.04Å; I103-I149 HydrophobicContact CD1-CG1 4.46Å; I103-H150 PolarHBondContact O-N 3.09Å; I103-L180 HydrophobicContact CG2-CD1 4.19Å; I103-L180 HydrophobicContact CG2-CD2 4.34Å; I103-L180 HydrophobicContact CG2-CG 3.84Å; I103-Y381 HydrophobicContact CD1-CD1 3.31Å; I103-Y381 HydrophobicContact CD1-CD2 4.08Å; I103-Y381 HydrophobicContact CD1-CE1 3.42Å; I103-Y381 VanDerWaalsContact CD1-CE1 3.42Å; I103-Y381 HydrophobicContact CD1-CE2 4.15Å; I103-Y381 HydrophobicContact CD1-CG 3.67Å; I103-Y381 HydrophobicContact CG1-CD1 4.18Å; I103-Y381 HydrophobicContact CG1-CD2 4.35Å; I103-Y381 HydrophobicContact CG1-CE1 3.87Å; I103-Y381 HydrophobicContact CG1-CE2 4.03Å; I103-Y381 HydrophobicContact CG1-CG 4.42Å
104	G	91.8	Very high	74.1	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	141.1	168.1	0	0	0	0	0	111.6	H150 A178 I179 L180	G104-H150 CarbonylContact C-O 3.51Å; G104-H150 WeakPolarHBondContact CA-O 3.18Å; G104-A178 PolarHBondContact N-O 3.14Å; G104-A178 VanDerWaalsContact N-O 3.09Å; G104-I179 CarbonylContact O-C 3.55Å; G104-I179 WeakPolarHBondContact O-CA 3.36Å; G104-L180 PolarHBondContact O-N 3.41Å
105	L	91.5	Very high	76.6	Confident	1 Å²	1	68 Å²	68	1%	0.005	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	123.4	172	169.6	65.7	0	0	0	109.7	I121 I149 H150 F151 D152 L180 M182	L105-I121 HydrophobicContact CD2-CD1 3.61Å; L105-I121 HydrophobicContact CD2-CG1 4.16Å; L105-I149 HydrophobicContact CB-CG2 4.26Å; L105-I149 HydrophobicContact CD2-CG2 4.49Å; L105-H150 PolarHBondContact N-O 3.03Å; L105-F151 HydrophobicContact CB-CB 4.16Å; L105-F151 HydrophobicContact CD2-CB 4.07Å; L105-F151 HydrophobicContact CG-CB 4.32Å; L105-F151 CarbonylContact O-C 3.57Å; L105-F151 VanDerWaalsContact O-CA 3.3Å; L105-F151 WeakPolarHBondContact O-CA 3.4Å; L105-D152 PolarHBondContact O-N 3.13Å; L105-L180 WeakPolarHBondContact CA-O 3.38Å; L105-L180 HydrophobicContact CB-CB 4.45Å; L105-L180 HydrophobicContact CD1-CB 3.67Å; L105-L180 HydrophobicContact CD1-CD1 4.41Å; L105-M182 HydrophobicContact CD1-CB 4.1Å; L105-M182 HydrophobicContact CD1-CG 3.6Å
106	I	89.9	Confident	78.9	Confident	0 Å²	0	67 Å²	67	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126	167.7	-64.5	172.2	0	0	0	107.8	M154 F171 L180 Y181 M182 M183 F198	I106-M154 HydrophobicContact CD1-CE 3.74Å; I106-M154 HydrophobicContact CD1-SD 4.06Å; I106-M154 HydrophobicContact CG1-CE 4.19Å; I106-M154 HydrophobicContact CG1-SD 4.45Å; I106-M154 HydrophobicContact CG2-CB 4.21Å; I106-M154 HydrophobicContact CG2-CG 4Å; I106-M154 HydrophobicContact CG2-SD 3.79Å; I106-F171 HydrophobicContact CD1-CE2 3.94Å; I106-F171 HydrophobicContact CD1-CZ 4.43Å; I106-F171 HydrophobicContact CG1-CE2 3.77Å; I106-F171 HydrophobicContact CG1-CZ 3.77Å; I106-L180 PolarHBondContact N-O 2.83Å; I106-Y181 HydrophobicContact CB-CD2 4.11Å; I106-Y181 HydrophobicContact CD1-CD2 4.01Å; I106-Y181 HydrophobicContact CD1-CE2 4.39Å; I106-Y181 HydrophobicContact CG2-CD2 4.13Å; I106-Y181 HydrophobicContact CG2-CE2 4.14Å; I106-M182 PolarHBondContact O-N 3.23Å; I106-M183 HydrophobicContact CG2-CE 4.11Å; I106-F198 HydrophobicContact CD1-CD2 4.04Å; I106-F198 HydrophobicContact CD1-CE2 3.56Å; I106-F198 HydrophobicContact CD1-CZ 3.88Å
107	A	88.6	Confident	80.9	Confident	2 Å²	2	63.5 Å²	63.5	2%	0.017	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	158.4	174.6	0	0	0	0	0	110.6	Y117 D152 M153 M154	A107-Y117 HydrophobicContact CB-CD1 4.37Å; A107-Y117 HydrophobicContact CB-CD2 4.21Å; A107-Y117 HydrophobicContact CB-CE1 4.29Å; A107-Y117 HydrophobicContact CB-CE2 4.11Å; A107-Y117 HydrophobicContact CB-CG 4.37Å; A107-D152 PolarHBondContact N-O 3.36Å; A107-D152 VanDerWaalsContact N-O 3.1Å; A107-M153 CarbonylContact O-C 3.45Å; A107-M153 VanDerWaalsContact O-CA 3.3Å; A107-M153 WeakPolarHBondContact O-CA 3.22Å; A107-M154 PolarHBondContact O-N 2.85Å
108	P	87.1	Confident	82.3	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.013	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	139.4	179.7	31	-37.3	0	0	0	111.6	T110 Y117 M154 L156 M182 M183 N184 L370	P108-T110 PolarHBondContact O-N 3.39Å; P108-Y117 WeakPolarHBondContact CG-OH 3.36Å; P108-M154 CarbonylContact C-O 3.57Å; P108-L156 HydrophobicContact CB-CD2 3.68Å; P108-M182 WeakPolarHBondContact CD-O 3.37Å; P108-M183 HydrophobicContact CB-SD 4.26Å; P108-N184 VanDerWaalsContact CG-OD1 3.31Å; P108-N184 WeakPolarHBondContact CG-OD1 3.47Å; P108-L370 HydrophobicContact CG-CD2 4.11Å
109	H	83.7	Confident	83.2	Confident	111 Å²	111	59 Å²	59	51%	0.514	27%	0.271	S	S	.	.			trans	-66.5	116.1	177.9	-179.5	-76.7	0	0	0	111.3	M153 M154	H109-M153 HydrophobicContact CB-CB 4.45Å; H109-M154 WeakPolarHBondContact CB-O 3.41Å; H109-M154 PolarHBondContact N-O 3.36Å
110	T	78.9	Confident	83.7	Confident	48 Å²	48	56.3 Å²	56.3	29%	0.294	26%	0.26	S	S	.	.			trans	-134	138.6	-179.3	49.6	0	0	0	0	110.8	P108 F112 G113	P108-T110 PolarHBondContact O-N 3.39Å; T110-F112 PolarHBondContact O-N 2.96Å; T110-G113 PolarHBondContact O-N 2.85Å; T110-G113 VanDerWaalsContact OG1-CA 3.3Å; T110-G113 WeakPolarHBondContact OG1-CA 3.32Å; T110-G113 PolarHBondContact OG1-N 3.26Å
111	N	69.5	Low	84	Confident	142 Å²	142	50.7 Å²	50.7	76%	0.759	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-19.3	-167.6	-63.6	-4.9	0	0	0	115.4
112	F	61.7	Low	84.1	Confident	179 Å²	179	53.6 Å²	53.6	79%	0.785	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.7	-8.9	176.8	-59.6	-74.7	0	0	0	114.1	T110 K114	T110-F112 PolarHBondContact O-N 2.96Å; F112-K114 PolarHBondContact O-N 2.72Å
113	G	67.2	Low	84	Confident	7 Å²	7	57.8 Å²	57.8	7%	0.072	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-19.1	-161.2	0	0	0	0	0	115.9	T110 R115 E116 Y117	T110-G113 PolarHBondContact O-N 2.85Å; T110-G113 VanDerWaalsContact OG1-CA 3.3Å; T110-G113 WeakPolarHBondContact OG1-CA 3.32Å; T110-G113 PolarHBondContact OG1-N 3.26Å; G113-R115 PolarHBondContact O-N 3.05Å; G113-R115 VanDerWaalsContact O-N 3.13Å; G113-E116 CarbonylContact O-C 3.58Å; G113-E116 WeakPolarHBondContact O-CA 3.28Å; G113-E116 WeakPolarHBondContact O-CB 3.38Å; G113-E116 PolarHBondContact O-N 3.18Å; G113-Y117 WeakPolarHBondContact O-CD2 3.33Å; G113-Y117 PolarHBondContact O-N 3.04Å
114	K	80.3	Confident	83.8	Confident	106 Å²	106	58 Å²	58	46%	0.461	27%	0.274	S	S	.	.	H	α-helix	trans	-51.2	-40.6	178.2	-176.1	157.3	175.8	141.2	0	113	F112 E116 L118 F151 M153	F112-K114 PolarHBondContact O-N 2.72Å; K114-E116 VanDerWaalsContact C-N 3.29Å; K114-E116 PolarHBondContact O-N 2.9Å; K114-L118 HydrophobicContact CG-CD1 4.32Å; K114-L118 WeakPolarHBondContact O-CB 3.29Å; K114-L118 WeakPolarHBondContact O-CD1 3.28Å; K114-L118 VanDerWaalsContact O-CG 3.26Å; K114-L118 WeakPolarHBondContact O-CG 3.35Å; K114-L118 PolarHBondContact O-N 2.88Å; K114-F151 HydrophobicContact CD-CE2 4.02Å; K114-F151 HydrophobicContact CD-CZ 4.46Å; K114-F151 HydrophobicContact CG-CE2 3.95Å; K114-F151 HydrophobicContact CG-CZ 4.45Å; K114-M153 HydrophobicContact CB-CE 4.1Å; K114-M153 HydrophobicContact CB-SD 3.71Å; K114-M153 HydrophobicContact CD-CE 3.85Å; K114-M153 HydrophobicContact CD-SD 4.18Å; K114-M153 HydrophobicContact CG-CE 4.43Å; K114-M153 HydrophobicContact CG-SD 4.15Å
115	R	83.9	Confident	83.6	Confident	172 Å²	172	58.6 Å²	58.6	65%	0.649	28%	0.277	S	S	*	.	H	α-helix	trans	-69.4	-28.5	176.5	-173	-178.3	67.4	165.3	-0.7	112.5	G113 R119	G113-R115 PolarHBondContact O-N 3.05Å; G113-R115 VanDerWaalsContact O-N 3.13Å; R115-R119 PolarHBondContact O-N 3.04Å
116	E	84.4	Confident	83.3	Confident	80 Å²	80	60.6 Å²	60.6	37%	0.374	29%	0.289	S	S	.	.	H	α-helix	trans	-84.3	-47.5	-174.6	-47.4	-143	113.3	0	0	110.1	G113 K114 L118 R119 S120 M371	G113-E116 CarbonylContact O-C 3.58Å; G113-E116 WeakPolarHBondContact O-CA 3.28Å; G113-E116 WeakPolarHBondContact O-CB 3.38Å; G113-E116 PolarHBondContact O-N 3.18Å; K114-E116 VanDerWaalsContact C-N 3.29Å; K114-E116 PolarHBondContact O-N 2.9Å; E116-L118 VanDerWaalsContact C-N 3.29Å; E116-L118 PolarHBondContact O-N 3.42Å; E116-R119 CarbonylContact O-C 3.51Å; E116-R119 WeakPolarHBondContact O-CA 3.02Å; E116-R119 VanDerWaalsContact O-CB 3.25Å; E116-R119 WeakPolarHBondContact O-CB 3.3Å; E116-R119 PolarHBondContact O-N 2.85Å; E116-R119 IonicContact OE1-NH1 3.86Å; E116-R119 PolarHBondContact OE1-NH1 2.69Å; E116-R119 VanDerWaalsContact OE1-NH1 3.13Å; E116-S120 PolarHBondContact O-N 2.97Å; E116-M371 HydrophobicContact CB-CE 3.91Å; E116-M371 WeakPolarHBondContact O-CE 3.37Å
117	Y	86.8	Confident	82.9	Confident	10 Å²	10	62 Å²	62	4%	0.039	30%	0.303	C	S	.	.	H	α-helix	trans	-51.6	-48.7	170	-63.1	-56	0	0	0	111.4	A107 P108 G113 R119 S120 I121 L370 M371 I374	A107-Y117 HydrophobicContact CB-CD1 4.37Å; A107-Y117 HydrophobicContact CB-CD2 4.21Å; A107-Y117 HydrophobicContact CB-CE1 4.29Å; A107-Y117 HydrophobicContact CB-CE2 4.11Å; A107-Y117 HydrophobicContact CB-CG 4.37Å; P108-Y117 WeakPolarHBondContact CG-OH 3.36Å; G113-Y117 WeakPolarHBondContact O-CD2 3.33Å; G113-Y117 PolarHBondContact O-N 3.04Å; Y117-R119 PolarHBondContact O-N 3.18Å; Y117-S120 PolarHBondContact O-N 2.94Å; Y117-S120 VanDerWaalsContact O-N 3.13Å; Y117-I121 WeakPolarHBondContact O-CD1 3.35Å; Y117-I121 VanDerWaalsContact O-CG1 3.23Å; Y117-I121 WeakPolarHBondContact O-CG1 3.39Å; Y117-I121 PolarHBondContact O-N 3.43Å; Y117-L370 HydrophobicContact CE1-CD2 3.93Å; Y117-M371 HydrophobicContact CD1-SD 3.42Å; Y117-M371 WeakPolarHBondContact CD1-SD 3.22Å; Y117-M371 HydrophobicContact CE1-SD 3.74Å; Y117-M371 HydrophobicContact CG-SD 4.38Å; Y117-I374 HydrophobicContact CD1-CD1 3.63Å; Y117-I374 HydrophobicContact CE1-CD1 3.94Å
118	L	87.6	Confident	82.4	Confident	50 Å²	50	62.5 Å²	62.5	26%	0.262	31%	0.306	S	S	.	.	H	α-helix	trans	-60.1	-28.6	174.8	-73.1	170.5	0	0	0	113.8	K114 E116 N122 Q146 F151	K114-L118 HydrophobicContact CG-CD1 4.32Å; K114-L118 WeakPolarHBondContact O-CB 3.29Å; K114-L118 WeakPolarHBondContact O-CD1 3.28Å; K114-L118 VanDerWaalsContact O-CG 3.26Å; K114-L118 WeakPolarHBondContact O-CG 3.35Å; K114-L118 PolarHBondContact O-N 2.88Å; E116-L118 VanDerWaalsContact C-N 3.29Å; E116-L118 PolarHBondContact O-N 3.42Å; L118-N122 WeakPolarHBondContact O-CB 3.47Å; L118-N122 PolarHBondContact O-N 2.93Å; L118-Q146 PolarHBondContact O-NE2 2.81Å; L118-F151 HydrophobicContact CD1-CE1 4.5Å; L118-F151 HydrophobicContact CD1-CZ 4.1Å; L118-F151 HydrophobicContact CD2-CD1 3.97Å; L118-F151 HydrophobicContact CD2-CE1 3.66Å; L118-F151 HydrophobicContact CD2-CZ 4.04Å; L118-F151 HydrophobicContact CG-CE1 4.4Å; L118-F151 HydrophobicContact CG-CZ 4.3Å
119	R	87.9	Confident	81.6	Confident	120 Å²	120	67 Å²	67	45%	0.453	33%	0.333	S	S	.	.	H	α-helix	trans	-73.6	-44.6	173.1	-171.5	-166	-68.4	136.3	-6	111.4	R115 E116 Y117 N122 N123	R115-R119 PolarHBondContact O-N 3.04Å; E116-R119 CarbonylContact O-C 3.51Å; E116-R119 WeakPolarHBondContact O-CA 3.02Å; E116-R119 VanDerWaalsContact O-CB 3.25Å; E116-R119 WeakPolarHBondContact O-CB 3.3Å; E116-R119 PolarHBondContact O-N 2.85Å; E116-R119 IonicContact OE1-NH1 3.86Å; E116-R119 PolarHBondContact OE1-NH1 2.69Å; E116-R119 VanDerWaalsContact OE1-NH1 3.13Å; Y117-R119 PolarHBondContact O-N 3.18Å; R119-N122 PolarHBondContact O-N 3.09Å; R119-N123 WeakPolarHBondContact O-CB 3.33Å; R119-N123 PolarHBondContact O-N 2.64Å; R119-N123 PolarHBondContact O-OD1 3.35Å
120	S	86.5	Confident	80.8	Confident	14 Å²	14	68.8 Å²	68.8	10%	0.098	34%	0.34	C	S	.	.	H	α-helix	trans	-64	-45.1	176.6	-173.8	0	0	0	0	111.3	E116 Y117 N122 N123 A124 M371	E116-S120 PolarHBondContact O-N 2.97Å; Y117-S120 PolarHBondContact O-N 2.94Å; Y117-S120 VanDerWaalsContact O-N 3.13Å; S120-N122 PolarHBondContact O-N 2.83Å; S120-N123 PolarHBondContact O-N 3.17Å; S120-A124 WeakPolarHBondContact O-CB 3.2Å; S120-A124 PolarHBondContact O-N 2.85Å; S120-M371 PolarHBondContact OG-O 3.15Å
121	I	88.8	Confident	79.9	Confident	1 Å²	1	70 Å²	70	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-55.6	-49.5	175.4	-64.6	161.3	0	0	0	111.2	L105 Y117 N123 A124 V125 Q146 I149 I374 I378	L105-I121 HydrophobicContact CD2-CD1 3.61Å; L105-I121 HydrophobicContact CD2-CG1 4.16Å; Y117-I121 WeakPolarHBondContact O-CD1 3.35Å; Y117-I121 VanDerWaalsContact O-CG1 3.23Å; Y117-I121 WeakPolarHBondContact O-CG1 3.39Å; Y117-I121 PolarHBondContact O-N 3.43Å; I121-N123 PolarHBondContact O-N 2.89Å; I121-A124 PolarHBondContact O-N 3.1Å; I121-V125 HydrophobicContact CG2-CG2 4.44Å; I121-V125 WeakPolarHBondContact O-CG2 3.46Å; I121-V125 PolarHBondContact O-N 2.88Å; I121-Q146 HydrophobicContact CG2-CG 4.18Å; I121-I149 HydrophobicContact CD1-CG2 4.34Å; I121-I149 HydrophobicContact CG2-CB 4.27Å; I121-I149 HydrophobicContact CG2-CD1 3.58Å; I121-I149 HydrophobicContact CG2-CG2 4.25Å; I121-I374 HydrophobicContact CG1-CG2 4.19Å; I121-I378 HydrophobicContact CG1-CD1 4.32Å; I121-I378 HydrophobicContact CG2-CD1 4.37Å
122	N	89.3	Confident	78.7	Confident	67 Å²	67	75.3 Å²	75.3	36%	0.358	36%	0.356	S	S	.	.	H	α-helix	trans	-66.3	-37.8	179.7	-165.3	1	0	0	0	112.1	L118 R119 S120 T126 Q146	L118-N122 WeakPolarHBondContact O-CB 3.47Å; L118-N122 PolarHBondContact O-N 2.93Å; R119-N122 PolarHBondContact O-N 3.09Å; S120-N122 PolarHBondContact O-N 2.83Å; N122-T126 WeakPolarHBondContact O-CB 3.31Å; N122-T126 WeakPolarHBondContact O-CG2 3.14Å; N122-T126 PolarHBondContact O-N 3.1Å; N122-T126 PolarHBondContact O-OG1 2.71Å; N122-T126 WeakPolarHBondContact OD1-CG2 3.48Å; N122-Q146 PolarHBondContact ND2-OE1 2.98Å
123	N	87.7	Confident	78.4	Confident	102 Å²	102	69.1 Å²	69.1	55%	0.545	34%	0.343	S	S	.	.	H	α-helix	trans	-63.9	-40.8	173.9	-72.9	-6.9	0	0	0	111.9	R119 S120 I121 G127	R119-N123 WeakPolarHBondContact O-CB 3.33Å; R119-N123 PolarHBondContact O-N 2.64Å; R119-N123 PolarHBondContact O-OD1 3.35Å; S120-N123 PolarHBondContact O-N 3.17Å; I121-N123 PolarHBondContact O-N 2.89Å; N123-G127 PolarHBondContact O-N 3.12Å
124	A	86.5	Confident	77.7	Confident	5 Å²	5	73.1 Å²	73.1	4%	0.041	38%	0.375	C	S	.	.	H	α-helix	trans	-66.3	-53.3	177.1	0	0	0	0	0	111.5	S120 I121 T126 G127 L128 S375 I378	S120-A124 WeakPolarHBondContact O-CB 3.2Å; S120-A124 PolarHBondContact O-N 2.85Å; I121-A124 PolarHBondContact O-N 3.1Å; A124-T126 PolarHBondContact O-N 2.57Å; A124-G127 WeakPolarHBondContact O-CA 3.38Å; A124-G127 PolarHBondContact O-N 2.83Å; A124-L128 PolarHBondContact O-N 3.23Å; A124-S375 WeakPolarHBondContact CB-OG 3.18Å; A124-I378 HydrophobicContact CB-CB 4.23Å; A124-I378 HydrophobicContact CB-CD1 3.96Å; A124-I378 HydrophobicContact CB-CG2 4.08Å
125	V	87.4	Confident	76.7	Confident	11 Å²	11	77 Å²	77	7%	0.067	39%	0.392	C	S	.	.	H	α-helix	trans	-62.5	-40.9	180	174.2	0	0	0	0	111.8	I121 G127 L128 F144 I149 I378	I121-V125 HydrophobicContact CG2-CG2 4.44Å; I121-V125 WeakPolarHBondContact O-CG2 3.46Å; I121-V125 PolarHBondContact O-N 2.88Å; V125-G127 VanDerWaalsContact C-N 3.27Å; V125-G127 PolarHBondContact O-N 2.91Å; V125-L128 PolarHBondContact O-N 2.97Å; V125-F144 HydrophobicContact CG2-CE1 4.07Å; V125-I149 HydrophobicContact CG2-CD1 3.67Å; V125-I378 HydrophobicContact CG2-CG2 4.38Å
126	T	84.7	Confident	76.2	Confident	44 Å²	44	69.5 Å²	69.5	27%	0.27	37%	0.365	S	S	.	.	H	α-helix	trans	-76.2	-13.8	173.3	65.6	0	0	0	0	113.5	N122 A124 T129 K130	N122-T126 WeakPolarHBondContact O-CB 3.31Å; N122-T126 WeakPolarHBondContact O-CG2 3.14Å; N122-T126 PolarHBondContact O-N 3.1Å; N122-T126 PolarHBondContact O-OG1 2.71Å; N122-T126 WeakPolarHBondContact OD1-CG2 3.48Å; A124-T126 PolarHBondContact O-N 2.57Å; T126-T129 PolarHBondContact O-OG1 2.99Å; T126-K130 WeakPolarHBondContact O-CD 3.35Å; T126-K130 WeakPolarHBondContact O-CE 3.07Å; T126-K130 VanDerWaalsContact O-CG 3.22Å; T126-K130 WeakPolarHBondContact O-CG 3.48Å
127	G	81.6	Confident	75.9	Confident	28 Å²	28	68.3 Å²	68.3	29%	0.289	36%	0.363	S	S	.	.	H	α-helix	trans	-70.1	-46.9	168	0	0	0	0	0	111.6	N123 A124 V125 T129 K130 T131	N123-G127 PolarHBondContact O-N 3.12Å; A124-G127 WeakPolarHBondContact O-CA 3.38Å; A124-G127 PolarHBondContact O-N 2.83Å; V125-G127 VanDerWaalsContact C-N 3.27Å; V125-G127 PolarHBondContact O-N 2.91Å; G127-T129 PolarHBondContact O-N 3.49Å; G127-T129 VanDerWaalsContact O-N 3.14Å; G127-K130 PolarHBondContact O-N 3.32Å; G127-T131 PolarHBondContact O-N 3.13Å
128	L	79.5	Confident	75.7	Confident	14 Å²	14	68 Å²	68	7%	0.073	36%	0.361	C	S	.	.	H	α-helix	trans	-57.8	-26.7	177.9	-62.7	178.3	0	0	0	113.7	A124 V125 T131 L136 F144 I378 K379 S382	A124-L128 PolarHBondContact O-N 3.23Å; V125-L128 PolarHBondContact O-N 2.97Å; L128-T131 PolarHBondContact O-OG1 3.46Å; L128-L136 HydrophobicContact CB-CD1 4.28Å; L128-L136 HydrophobicContact CD2-CD1 4.21Å; L128-F144 HydrophobicContact CD1-CD1 4.35Å; L128-F144 HydrophobicContact CD1-CE1 3.99Å; L128-I378 HydrophobicContact CD1-CG2 4.07Å; L128-K379 HydrophobicContact CD2-CG 4.46Å; L128-S382 WeakPolarHBondContact CD2-OG 3.47Å
129	T	70.2	Confident	75.3	Confident	96 Å²	96	67.5 Å²	67.5	59%	0.589	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-6.6	176.2	59.2	0	0	0	0	114.1	T126 G127 L139	T126-T129 PolarHBondContact O-OG1 2.99Å; G127-T129 PolarHBondContact O-N 3.49Å; G127-T129 VanDerWaalsContact O-N 3.14Å; T129-L139 HydrophobicContact CG2-CD1 4.44Å
130	K	66.4	Low	74.8	Confident	149 Å²	149	68.2 Å²	68.2	65%	0.648	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.1	-12.3	-175.7	-68.1	172.1	-167	158.1	0	114.1	T126 G127	T126-K130 WeakPolarHBondContact O-CD 3.35Å; T126-K130 WeakPolarHBondContact O-CE 3.07Å; T126-K130 VanDerWaalsContact O-CG 3.22Å; T126-K130 WeakPolarHBondContact O-CG 3.48Å; G127-K130 PolarHBondContact O-N 3.32Å
131	T	59.4	Low	74.2	Confident	72 Å²	72	72.9 Å²	72.9	44%	0.442	39%	0.389	S	S	.	.			trans	-56.8	134.3	178.1	29.2	0	0	0	0	111.9	G127 L128 G133	G127-T131 PolarHBondContact O-N 3.13Å; L128-T131 PolarHBondContact O-OG1 3.46Å; T131-G133 VanDerWaalsContact C-N 3.33Å
132	R	46	Very low	73.8	Confident	255 Å²	255	74.5 Å²	74.5	96%	0.962	40%	0.395	S	S	*	.	S	Bend	trans	-83.5	-2.5	-178.1	-78.5	-176.8	171	175.1	-2.2	114.7
133	G	54.5	Low	73.4	Confident	49 Å²	49	72.1 Å²	72.1	51%	0.505	38%	0.384	S	S	.	.	S	Bend	trans	-75.5	-157.5	178	0	0	0	0	0	113.6	T131 K135	T131-G133 VanDerWaalsContact C-N 3.33Å; G133-K135 PolarHBondContact O-N 3.14Å
134	A	52.8	Low	73.2	Confident	90 Å²	90	67.8 Å²	67.8	74%	0.744	36%	0.361	S	S	*	.	S	Bend	trans	-56	127.6	175.3	0	0	0	0	0	110.7	L136	A134-L136 PolarHBondContact O-N 3.29Å
135	K	59.9	Low	73.1	Confident	188 Å²	188	72.1 Å²	72.1	82%	0.817	38%	0.38	S	S	*	.			trans	-70.4	103.4	-179.6	-68.3	180	179.4	178.6	0	109.5	G133 T137	G133-K135 PolarHBondContact O-N 3.14Å; K135-T137 WeakPolarHBondContact O-CG2 3.37Å; K135-T137 PolarHBondContact O-N 3.33Å
136	L	73.5	Confident	72.9	Confident	15 Å²	15	74.4 Å²	74.4	8%	0.079	39%	0.39	C	S	.	.			trans	-42.4	109.5	170.8	-66.3	169.2	0	0	0	109.7	L128 A134 F138 L139 Y383 E386	L128-L136 HydrophobicContact CB-CD1 4.28Å; L128-L136 HydrophobicContact CD2-CD1 4.21Å; A134-L136 PolarHBondContact O-N 3.29Å; L136-F138 HydrophobicContact CB-CD1 4.08Å; L136-F138 HydrophobicContact CB-CE1 4Å; L136-F138 HydrophobicContact CD1-CE1 4.09Å; L136-F138 HydrophobicContact CD2-CD1 4.5Å; L136-F138 HydrophobicContact CD2-CE1 4.21Å; L136-F138 HydrophobicContact CG-CE1 4.32Å; L136-L139 HydrophobicContact CB-CD1 4.02Å; L136-L139 HydrophobicContact CB-CG 4.28Å; L136-L139 HydrophobicContact CD1-CD1 4.31Å; L136-Y383 HydrophobicContact CD2-CD1 3.95Å; L136-Y383 HydrophobicContact CD2-CE1 3.96Å; L136-E386 HydrophobicContact CD2-CB 4.03Å; L136-E386 HydrophobicContact CD2-CG 4.16Å
137	T	76.1	Confident	72.8	Confident	54 Å²	54	78 Å²	78	33%	0.331	40%	0.402	S	S	.	.	S	Bend	trans	-78.6	-29.3	-171.6	62.8	0	0	0	0	111.9	K135 L139 K140 E386	K135-T137 WeakPolarHBondContact O-CG2 3.37Å; K135-T137 PolarHBondContact O-N 3.33Å; T137-L139 PolarHBondContact O-N 2.89Å; T137-L139 VanDerWaalsContact O-N 3.1Å; T137-K140 VanDerWaalsContact O-CB 3.28Å; T137-K140 WeakPolarHBondContact O-CB 3.33Å; T137-K140 WeakPolarHBondContact O-CG 3.38Å; T137-K140 PolarHBondContact O-N 3.47Å; T137-E386 VanDerWaalsContact CB-OE1 3.31Å; T137-E386 WeakPolarHBondContact CB-OE1 3.29Å; T137-E386 WeakPolarHBondContact CG2-OE1 3.36Å; T137-E386 PolarHBondContact N-OE1 2.68Å; T137-E386 PolarHBondContact N-OE2 3.06Å; T137-E386 VanDerWaalsContact OG1-CD 3.3Å; T137-E386 PolarHBondContact OG1-OE1 3.48Å; T137-E386 PolarHBondContact OG1-OE2 3.27Å
138	F	82.9	Confident	73	Confident	3 Å²	3	76.8 Å²	76.8	1%	0.013	39%	0.389	C	S	.	.	H	α-helix	trans	-55.9	-29.6	177.3	84.6	-95.5	0	0	0	113.4	L101 L136 K140 D141 Y142 F144 S382 V385 E386 L389	L101-F138 HydrophobicContact CD1-CD2 4.09Å; L101-F138 HydrophobicContact CD1-CE2 4.37Å; L136-F138 HydrophobicContact CB-CD1 4.08Å; L136-F138 HydrophobicContact CB-CE1 4Å; L136-F138 HydrophobicContact CD1-CE1 4.09Å; L136-F138 HydrophobicContact CD2-CD1 4.5Å; L136-F138 HydrophobicContact CD2-CE1 4.21Å; L136-F138 HydrophobicContact CG-CE1 4.32Å; F138-K140 PolarHBondContact O-N 2.91Å; F138-K140 VanDerWaalsContact O-N 3.1Å; F138-D141 PolarHBondContact O-N 3.17Å; F138-D141 VanDerWaalsContact O-N 3.09Å; F138-Y142 PolarHBondContact O-N 3.32Å; F138-F144 HydrophobicContact CE2-CB 4.07Å; F138-F144 HydrophobicContact CE2-CG 4.43Å; F138-S382 WeakPolarHBondContact CE1-O 3.47Å; F138-V385 HydrophobicContact CB-CG1 4.11Å; F138-V385 HydrophobicContact CD1-CG1 4.13Å; F138-V385 HydrophobicContact CD2-CG1 3.9Å; F138-V385 HydrophobicContact CE2-CG1 4.32Å; F138-V385 HydrophobicContact CG-CG1 3.8Å; F138-E386 HydrophobicContact CD1-CB 4.26Å; F138-E386 WeakPolarHBondContact CD1-OE2 3.43Å; F138-E386 PolarHBondContact N-OE2 2.73Å; F138-L389 HydrophobicContact CB-CD1 3.64Å
139	L	80.4	Confident	73.3	Confident	40 Å²	40	76.5 Å²	76.5	21%	0.209	39%	0.387	C	S	.	.	H	α-helix	trans	-65.5	-8.8	176.4	-65.1	176.5	0	0	0	113.8	K98 T129 L136 T137 F144	K98-L139 PolarHBondContact NZ-O 2.71Å; T129-L139 HydrophobicContact CG2-CD1 4.44Å; L136-L139 HydrophobicContact CB-CD1 4.02Å; L136-L139 HydrophobicContact CB-CG 4.28Å; L136-L139 HydrophobicContact CD1-CD1 4.31Å; T137-L139 PolarHBondContact O-N 2.89Å; T137-L139 VanDerWaalsContact O-N 3.1Å; L139-F144 HydrophobicContact CD2-CB 3.99Å
140	K	76.3	Confident	74.2	Confident	136 Å²	136	74.1 Å²	74.1	59%	0.591	37%	0.369	S	S	*	.	H	α-helix	trans	-75.7	-46.7	169.1	-64.3	171.9	-172.1	166.4	0	111.1	K98 T137 F138	K98-K140 WeakPolarHBondContact CD-O 3.36Å; K98-K140 WeakPolarHBondContact CE-O 3.44Å; K98-K140 PolarHBondContact NZ-O 3.37Å; T137-K140 VanDerWaalsContact O-CB 3.28Å; T137-K140 WeakPolarHBondContact O-CB 3.33Å; T137-K140 WeakPolarHBondContact O-CG 3.38Å; T137-K140 PolarHBondContact O-N 3.47Å; F138-K140 PolarHBondContact O-N 2.91Å; F138-K140 VanDerWaalsContact O-N 3.1Å
141	D	74.6	Confident	75.1	Confident	111 Å²	111	69.7 Å²	69.7	59%	0.594	35%	0.35	S	S	*	.	H	α-helix	trans	-100.6	-29	-164.5	-50.7	-41.4	0	0	0	112.1	K98 E99 F138	K98-D141 WeakPolarHBondContact CA-O 3.4Å; K98-D141 VanDerWaalsContact CB-O 3.3Å; K98-D141 WeakPolarHBondContact CB-O 3.37Å; E99-D141 PolarHBondContact N-O 2.88Å; F138-D141 PolarHBondContact O-N 3.17Å; F138-D141 VanDerWaalsContact O-N 3.09Å
142	Y	80.9	Confident	76.4	Confident	35 Å²	35	68.5 Å²	68.5	14%	0.137	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	149.6	173.1	-66.5	-86.8	0	0	0	111.8	K98 E99 L101 F138 L389	K98-Y142 WeakPolarHBondContact CD-O 3.07Å; E99-Y142 HydrophobicContact CB-CD1 3.58Å; E99-Y142 HydrophobicContact CB-CE1 3.52Å; E99-Y142 CarbonylContact O-C 3.54Å; E99-Y142 VanDerWaalsContact O-CA 3.28Å; E99-Y142 WeakPolarHBondContact O-CA 3.37Å; L101-Y142 HydrophobicContact CD1-CD1 3.82Å; L101-Y142 HydrophobicContact CD1-CD2 4.15Å; L101-Y142 HydrophobicContact CD1-CE1 4.49Å; L101-Y142 HydrophobicContact CD1-CG 3.63Å; L101-Y142 HydrophobicContact CD2-CD1 4.26Å; L101-Y142 HydrophobicContact CD2-CE1 4.35Å; L101-Y142 HydrophobicContact CG-CD1 3.59Å; L101-Y142 HydrophobicContact CG-CE1 4.17Å; L101-Y142 HydrophobicContact CG-CG 3.94Å; F138-Y142 PolarHBondContact O-N 3.32Å; Y142-L389 HydrophobicContact CD2-CD1 3.89Å; Y142-L389 HydrophobicContact CE2-CD1 3.6Å; Y142-L389 HydrophobicContact CE2-CD2 4.07Å
143	S	80.6	Confident	78.4	Confident	17 Å²	17	58.4 Å²	58.4	12%	0.119	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.4	167.5	64.7	0	0	0	0	109.8	E99	E99-S143 PolarHBondContact O-N 2.89Å
144	F	84	Confident	79.8	Confident	12 Å²	12	56.5 Å²	56.5	5%	0.053	28%	0.283	C	S	.	.			trans	-128	98.9	175.2	-173	-114.7	0	0	0	109.2	I103 V125 L128 F138 L139 N148 I149 I378 Y381	I103-F144 HydrophobicContact CD1-CE2 3.47Å; I103-F144 VanDerWaalsContact CD1-CE2 3.47Å; I103-F144 HydrophobicContact CD1-CZ 3.53Å; I103-F144 HydrophobicContact CG1-CE2 4.06Å; V125-F144 HydrophobicContact CG2-CE1 4.07Å; L128-F144 HydrophobicContact CD1-CD1 4.35Å; L128-F144 HydrophobicContact CD1-CE1 3.99Å; F138-F144 HydrophobicContact CE2-CB 4.07Å; F138-F144 HydrophobicContact CE2-CG 4.43Å; L139-F144 HydrophobicContact CD2-CB 3.99Å; F144-N148 HydrophobicContact CD2-CB 4.45Å; F144-I149 HydrophobicContact CE2-CD1 4.36Å; F144-I149 HydrophobicContact CE2-CG1 4.19Å; F144-I149 HydrophobicContact CZ-CD1 3.89Å; F144-I149 HydrophobicContact CZ-CG1 4.2Å; F144-I378 HydrophobicContact CE1-CG2 4.31Å; F144-I378 HydrophobicContact CZ-CG2 4.48Å; F144-Y381 HydrophobicContact CE2-CE1 4.28Å; F144-Y381 HydrophobicContact CZ-CD1 4.47Å; F144-Y381 HydrophobicContact CZ-CE1 4.48Å
145	E	82.9	Confident	81.2	Confident	95 Å²	95	55.2 Å²	55.2	44%	0.444	27%	0.269	S	S	.	.			trans	-125.9	170.3	179.6	-72.2	167.7	-127.4	0	0	109.9	K147 N148	E145-K147 HydrophobicContact CB-CD 4.24Å; E145-K147 HydrophobicContact CB-CG 4.09Å; E145-K147 PolarHBondContact O-N 3.05Å; E145-K147 IonicContact OE1-NZ 3.2Å; E145-K147 PolarHBondContact OE1-NZ 3.29Å; E145-K147 WeakPolarHBondContact OE2-CE 3.38Å; E145-K147 IonicContact OE2-NZ 2.67Å; E145-K147 PolarHBondContact OE2-NZ 3.44Å; E145-N148 PolarHBondContact N-OD1 2.86Å; E145-N148 VanDerWaalsContact N-OD1 3.09Å; E145-N148 WeakPolarHBondContact O-CB 3.34Å; E145-N148 PolarHBondContact O-N 3.14Å; E145-N148 PolarHBondContact O-OD1 3.02Å
146	Q	83.3	Confident	81.9	Confident	60 Å²	60	49.7 Å²	49.7	28%	0.28	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-51.9	-30.4	177	179.6	171.8	15	0	0	113.5	L118 I121 N122 N148 I149	L118-Q146 PolarHBondContact O-NE2 2.81Å; I121-Q146 HydrophobicContact CG2-CG 4.18Å; N122-Q146 PolarHBondContact ND2-OE1 2.98Å; Q146-N148 PolarHBondContact O-N 2.65Å; Q146-I149 PolarHBondContact O-N 3.18Å
147	K	83.6	Confident	82.1	Confident	120 Å²	120	53.2 Å²	53.2	52%	0.522	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-65.4	-17.2	177.4	75	-162.1	177.2	-157.3	0	114.7	E145	E145-K147 HydrophobicContact CB-CD 4.24Å; E145-K147 HydrophobicContact CB-CG 4.09Å; E145-K147 PolarHBondContact O-N 3.05Å; E145-K147 IonicContact OE1-NZ 3.2Å; E145-K147 PolarHBondContact OE1-NZ 3.29Å; E145-K147 WeakPolarHBondContact OE2-CE 3.38Å; E145-K147 IonicContact OE2-NZ 2.67Å; E145-K147 PolarHBondContact OE2-NZ 3.44Å
148	N	85.2	Confident	82.4	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.011	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-92.6	-4.2	-179.2	-62.1	100.1	0	0	0	112.8	L101 N102 I103 F144 E145 Q146 H150	L101-N148 WeakPolarHBondContact O-CB 3.17Å; N102-N148 VanDerWaalsContact CA-O 3.31Å; N102-N148 WeakPolarHBondContact CA-O 3.5Å; N102-N148 PolarHBondContact OD1-ND2 3.16Å; I103-N148 PolarHBondContact N-O 3.04Å; F144-N148 HydrophobicContact CD2-CB 4.45Å; E145-N148 PolarHBondContact N-OD1 2.86Å; E145-N148 VanDerWaalsContact N-OD1 3.09Å; E145-N148 WeakPolarHBondContact O-CB 3.34Å; E145-N148 PolarHBondContact O-N 3.14Å; E145-N148 PolarHBondContact O-OD1 3.02Å; Q146-N148 PolarHBondContact O-N 2.65Å; N148-H150 PolarHBondContact O-CD2 3.35Å
149	I	86.8	Confident	82.6	Confident	7 Å²	7	53.2 Å²	53.2	4%	0.036	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	98.4	177.8	-62.7	170.7	0	0	0	107.6	I103 L105 I121 V125 F144 Q146 F151 I378	I103-I149 HydrophobicContact CD1-CG1 4.46Å; L105-I149 HydrophobicContact CB-CG2 4.26Å; L105-I149 HydrophobicContact CD2-CG2 4.49Å; I121-I149 HydrophobicContact CD1-CG2 4.34Å; I121-I149 HydrophobicContact CG2-CB 4.27Å; I121-I149 HydrophobicContact CG2-CD1 3.58Å; I121-I149 HydrophobicContact CG2-CG2 4.25Å; V125-I149 HydrophobicContact CG2-CD1 3.67Å; F144-I149 HydrophobicContact CE2-CD1 4.36Å; F144-I149 HydrophobicContact CE2-CG1 4.19Å; F144-I149 HydrophobicContact CZ-CD1 3.89Å; F144-I149 HydrophobicContact CZ-CG1 4.2Å; Q146-I149 PolarHBondContact O-N 3.18Å; I149-F151 PolarHBondContact O-N 3.45Å; I149-I378 HydrophobicContact CD1-CD1 4.07Å; I149-I378 HydrophobicContact CD1-CG1 4.46Å
150	H	87.8	Confident	82.9	Confident	47 Å²	47	54.6 Å²	54.6	22%	0.218	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	102.5	-178.9	-69.1	-92.2	0	0	0	108.6	I103 G104 L105 N148 F171 V174	I103-H150 PolarHBondContact O-N 3.09Å; G104-H150 CarbonylContact C-O 3.51Å; G104-H150 WeakPolarHBondContact CA-O 3.18Å; L105-H150 PolarHBondContact N-O 3.03Å; N148-H150 PolarHBondContact O-CD2 3.35Å; H150-F171 HydrophobicContact CB-CD1 4.46Å; H150-F171 WeakPolarHBondContact O-CE1 3.19Å; H150-V174 WeakPolarHBondContact NE2-CG1 3.3Å
151	F	86.2	Confident	83.5	Confident	56 Å²	56	53 Å²	53	25%	0.246	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	136.1	-177.6	73.7	-77.1	0	0	0	111.1	L105 K114 L118 I149	L105-F151 HydrophobicContact CB-CB 4.16Å; L105-F151 HydrophobicContact CD2-CB 4.07Å; L105-F151 HydrophobicContact CG-CB 4.32Å; L105-F151 CarbonylContact O-C 3.57Å; L105-F151 VanDerWaalsContact O-CA 3.3Å; L105-F151 WeakPolarHBondContact O-CA 3.4Å; K114-F151 HydrophobicContact CD-CE2 4.02Å; K114-F151 HydrophobicContact CD-CZ 4.46Å; K114-F151 HydrophobicContact CG-CE2 3.95Å; K114-F151 HydrophobicContact CG-CZ 4.45Å; L118-F151 HydrophobicContact CD1-CE1 4.5Å; L118-F151 HydrophobicContact CD1-CZ 4.1Å; L118-F151 HydrophobicContact CD2-CD1 3.97Å; L118-F151 HydrophobicContact CD2-CE1 3.66Å; L118-F151 HydrophobicContact CD2-CZ 4.04Å; L118-F151 HydrophobicContact CG-CE1 4.4Å; L118-F151 HydrophobicContact CG-CZ 4.3Å; I149-F151 PolarHBondContact O-N 3.45Å
152	D	87.4	Confident	84.1	Confident	47 Å²	47	49.2 Å²	49.2	25%	0.251	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	158.2	169	-169.9	23.7	0	0	0	110.6	L105 A107 T166	L105-D152 PolarHBondContact O-N 3.13Å; A107-D152 PolarHBondContact N-O 3.36Å; A107-D152 VanDerWaalsContact N-O 3.1Å; D152-T166 HydrophobicContact CB-CG2 3.71Å; D152-T166 WeakPolarHBondContact OD2-CB 3.36Å; D152-T166 WeakPolarHBondContact OD2-CG2 3.04Å; D152-T166 PolarHBondContact OD2-OG1 3.35Å
153	M	86.9	Confident	84.5	Confident	42 Å²	42	47.6 Å²	47.6	21%	0.207	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	103.1	-177.1	-63.1	-171.9	-44.1	0	0	111.1	A107 H109 K114	A107-M153 CarbonylContact O-C 3.45Å; A107-M153 VanDerWaalsContact O-CA 3.3Å; A107-M153 WeakPolarHBondContact O-CA 3.22Å; H109-M153 HydrophobicContact CB-CB 4.45Å; K114-M153 HydrophobicContact CB-CE 4.1Å; K114-M153 HydrophobicContact CB-SD 3.71Å; K114-M153 HydrophobicContact CD-CE 3.85Å; K114-M153 HydrophobicContact CD-SD 4.18Å; K114-M153 HydrophobicContact CG-CE 4.43Å; K114-M153 HydrophobicContact CG-SD 4.15Å
154	M	84.6	Confident	84.8	Confident	10 Å²	10	50 Å²	50	5%	0.049	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	158.7	179.6	-69.5	-173	179.6	0	0	112.1	I106 A107 P108 H109 P158 I163 T166 M183	I106-M154 HydrophobicContact CD1-CE 3.74Å; I106-M154 HydrophobicContact CD1-SD 4.06Å; I106-M154 HydrophobicContact CG1-CE 4.19Å; I106-M154 HydrophobicContact CG1-SD 4.45Å; I106-M154 HydrophobicContact CG2-CB 4.21Å; I106-M154 HydrophobicContact CG2-CG 4Å; I106-M154 HydrophobicContact CG2-SD 3.79Å; A107-M154 PolarHBondContact O-N 2.85Å; P108-M154 CarbonylContact C-O 3.57Å; H109-M154 WeakPolarHBondContact CB-O 3.41Å; H109-M154 PolarHBondContact N-O 3.36Å; M154-P158 HydrophobicContact CB-CB 4.22Å; M154-P158 HydrophobicContact CB-CG 4.42Å; M154-P158 HydrophobicContact CG-CB 4.47Å; M154-P158 HydrophobicContact SD-CB 4.04Å; M154-P158 HydrophobicContact SD-CG 4.03Å; M154-I163 HydrophobicContact SD-CG1 4.44Å; M154-T166 HydrophobicContact CE-CG2 3.86Å; M154-T166 WeakPolarHBondContact CE-OG1 3.45Å; M154-M183 HydrophobicContact CB-CE 4.16Å
155	S	81.3	Confident	85.1	Confident	62 Å²	62	51.8 Å²	51.8	43%	0.434	29%	0.289	S	S	.	.			trans	-61.7	161.2	160.1	52.8	0	0	0	0	110.4	T157 P158 M183	S155-T157 PolarHBondContact O-N 2.69Å; S155-T157 VanDerWaalsContact OG-C 3.32Å; S155-T157 PolarHBondContact OG-O 3.42Å; S155-P158 WeakPolarHBondContact O-CD 3.49Å; S155-P158 WeakPolarHBondContact OG-CA 3.48Å; S155-M183 WeakPolarHBondContact O-CE 3.32Å
156	L	74.6	Confident	85.4	Confident	72 Å²	72	47.8 Å²	47.8	38%	0.377	27%	0.271	S	S	.	.	S	Bend	trans	-66.2	-15	173.4	-64.5	170.8	0	0	0	113	P108 M183 N185	P108-L156 HydrophobicContact CB-CD2 3.68Å; L156-M183 HydrophobicContact CD2-SD 4.38Å; L156-N185 HydrophobicContact CD2-CB 4.21Å
157	T	77.7	Confident	85.6	Confident	89 Å²	89	45 Å²	45	55%	0.546	26%	0.258	S	S	.	.	S	Bend	trans	-132.8	70	178.7	43.7	0	0	0	0	109.3	S155	S155-T157 PolarHBondContact O-N 2.69Å; S155-T157 VanDerWaalsContact OG-C 3.32Å; S155-T157 PolarHBondContact OG-O 3.42Å
158	P	83.1	Confident	85.8	Confident	5 Å²	5	41.2 Å²	41.2	3%	0.032	25%	0.246	C	C	.	.			trans	-76.1	141.7	-177.7	29.9	-30.3	0	0	0	110.9	M154 S155 A162 I163 S194	M154-P158 HydrophobicContact CB-CB 4.22Å; M154-P158 HydrophobicContact CB-CG 4.42Å; M154-P158 HydrophobicContact CG-CB 4.47Å; M154-P158 HydrophobicContact SD-CB 4.04Å; M154-P158 HydrophobicContact SD-CG 4.03Å; S155-P158 WeakPolarHBondContact O-CD 3.49Å; S155-P158 WeakPolarHBondContact OG-CA 3.48Å; P158-A162 HydrophobicContact CB-CB 4.47Å; P158-I163 HydrophobicContact CB-CG1 4.07Å; P158-I163 HydrophobicContact CG-CD1 4.1Å; P158-I163 HydrophobicContact CG-CG1 3.98Å; P158-S194 VanDerWaalsContact O-CB 3.28Å; P158-S194 WeakPolarHBondContact O-CB 3.36Å
159	S	86.4	Confident	85.9	Confident	53 Å²	53	47.6 Å²	47.6	37%	0.371	27%	0.274	S	S	.	.			trans	-68.3	152.9	174.7	63.9	0	0	0	0	111	T161 A162 I163	S159-T161 PolarHBondContact O-N 3.5Å; S159-T161 VanDerWaalsContact O-N 3.12Å; S159-T161 PolarHBondContact OG-OG1 3.13Å; S159-A162 WeakPolarHBondContact O-CB 3.49Å; S159-A162 PolarHBondContact O-N 3.48Å; S159-A162 WeakPolarHBondContact OG-CB 3.31Å; S159-A162 PolarHBondContact OG-N 3.44Å; S159-A162 VanDerWaalsContact OG-N 3.13Å; S159-I163 WeakPolarHBondContact O-CG1 3.34Å; S159-I163 PolarHBondContact O-N 2.97Å
160	P	86.9	Confident	85.9	Confident	68 Å²	68	51.8 Å²	51.8	44%	0.442	29%	0.293	S	S	.	.	H	α-helix	trans	-51.9	-35.3	171.8	-29.9	37.2	0	0	0	113.1	I163 L164 Y197	P160-I163 PolarHBondContact O-N 2.87Å; P160-L164 WeakPolarHBondContact O-CB 3.4Å; P160-L164 VanDerWaalsContact O-CG 3.3Å; P160-L164 WeakPolarHBondContact O-CG 3.5Å; P160-L164 PolarHBondContact O-N 3.24Å; P160-Y197 HydrophobicContact CB-CD1 4.01Å; P160-Y197 HydrophobicContact CB-CE1 3.66Å; P160-Y197 HydrophobicContact CG-CD1 4.47Å
161	T	88.2	Confident	85.9	Confident	102 Å²	102	49.5 Å²	49.5	63%	0.626	28%	0.283	S	S	*	.	H	α-helix	trans	-66.7	-37.3	174.7	49	0	0	0	0	113.7	S159 S165	S159-T161 PolarHBondContact O-N 3.5Å; S159-T161 VanDerWaalsContact O-N 3.12Å; S159-T161 PolarHBondContact OG-OG1 3.13Å; T161-S165 VanDerWaalsContact O-CB 3.32Å; T161-S165 WeakPolarHBondContact O-CB 3.4Å; T161-S165 PolarHBondContact O-N 3.02Å; T161-S165 PolarHBondContact O-OG 3.01Å
162	A	88.2	Confident	86	Confident	33 Å²	33	47.4 Å²	47.4	27%	0.273	27%	0.274	S	S	.	.	H	α-helix	trans	-67.5	-47.4	174.2	0	0	0	0	0	110.5	P158 S159 L164 S165 T166	P158-A162 HydrophobicContact CB-CB 4.47Å; S159-A162 WeakPolarHBondContact O-CB 3.49Å; S159-A162 PolarHBondContact O-N 3.48Å; S159-A162 WeakPolarHBondContact OG-CB 3.31Å; S159-A162 PolarHBondContact OG-N 3.44Å; S159-A162 VanDerWaalsContact OG-N 3.13Å; A162-L164 PolarHBondContact O-N 3.32Å; A162-S165 PolarHBondContact O-N 2.89Å; A162-S165 PolarHBondContact O-OG 2.85Å; A162-T166 PolarHBondContact O-N 3.27Å; A162-T166 PolarHBondContact O-OG1 3.28Å
163	I	88.2	Confident	85.9	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-53.8	-52.5	176.9	-66.7	166.8	0	0	0	111.2	M154 P158 S159 P160 S165 T166 L167 S194 Y197 F198	M154-I163 HydrophobicContact SD-CG1 4.44Å; P158-I163 HydrophobicContact CB-CG1 4.07Å; P158-I163 HydrophobicContact CG-CD1 4.1Å; P158-I163 HydrophobicContact CG-CG1 3.98Å; S159-I163 WeakPolarHBondContact O-CG1 3.34Å; S159-I163 PolarHBondContact O-N 2.97Å; P160-I163 PolarHBondContact O-N 2.87Å; I163-S165 VanDerWaalsContact C-N 3.31Å; I163-S165 PolarHBondContact O-N 2.95Å; I163-T166 PolarHBondContact O-N 2.92Å; I163-L167 HydrophobicContact CG2-CD1 3.94Å; I163-L167 WeakPolarHBondContact O-CB 3.43Å; I163-L167 PolarHBondContact O-N 2.92Å; I163-L167 VanDerWaalsContact O-N 3.11Å; I163-S194 WeakPolarHBondContact CD1-O 3.34Å; I163-Y197 HydrophobicContact CB-CD1 4.37Å; I163-Y197 HydrophobicContact CB-CE1 4.42Å; I163-Y197 HydrophobicContact CD1-CD1 3.85Å; I163-Y197 HydrophobicContact CG2-CD1 4.11Å; I163-Y197 HydrophobicContact CG2-CE1 4.2Å; I163-F198 HydrophobicContact CD1-CB 4.42Å; I163-F198 HydrophobicContact CG2-CB 4.08Å; I163-F198 HydrophobicContact CG2-CD2 3.94Å
164	L	88.6	Confident	85.8	Confident	66 Å²	66	54.9 Å²	54.9	35%	0.346	30%	0.301	S	S	.	.	H	α-helix	trans	-58.6	-41.5	175.5	-74.6	169.8	0	0	0	112	P160 A162 L167 C168 Y197 L201	P160-L164 WeakPolarHBondContact O-CB 3.4Å; P160-L164 VanDerWaalsContact O-CG 3.3Å; P160-L164 WeakPolarHBondContact O-CG 3.5Å; P160-L164 PolarHBondContact O-N 3.24Å; A162-L164 PolarHBondContact O-N 3.32Å; L164-L167 PolarHBondContact O-N 3.06Å; L164-C168 WeakPolarHBondContact O-CB 3.35Å; L164-C168 PolarHBondContact O-N 3.33Å; L164-C168 PolarHBondContact O-SG 2.89Å; L164-Y197 HydrophobicContact CG-CE1 4.36Å; L164-L201 HydrophobicContact CD2-CD1 3.71Å
165	S	88.5	Confident	85.9	Confident	51 Å²	51	56.6 Å²	56.6	36%	0.357	31%	0.31	S	S	.	.	H	α-helix	trans	-65.8	-41.5	-176.6	76.5	0	0	0	0	113.1	T161 A162 I163 K169	T161-S165 VanDerWaalsContact O-CB 3.32Å; T161-S165 WeakPolarHBondContact O-CB 3.4Å; T161-S165 PolarHBondContact O-N 3.02Å; T161-S165 PolarHBondContact O-OG 3.01Å; A162-S165 PolarHBondContact O-N 2.89Å; A162-S165 PolarHBondContact O-OG 2.85Å; I163-S165 VanDerWaalsContact C-N 3.31Å; I163-S165 PolarHBondContact O-N 2.95Å; S165-K169 VanDerWaalsContact O-CB 3.24Å; S165-K169 WeakPolarHBondContact O-CB 3.04Å; S165-K169 WeakPolarHBondContact O-CG 3.47Å; S165-K169 PolarHBondContact O-N 3.22Å
166	T	89.1	Confident	86.3	Confident	10 Å²	10	53.7 Å²	53.7	6%	0.061	29%	0.29	C	S	.	.	H	α-helix	trans	-67.4	-46.1	174.9	-56.9	0	0	0	0	110.9	D152 M154 A162 I163 C168 K169 E170 F171	D152-T166 HydrophobicContact CB-CG2 3.71Å; D152-T166 WeakPolarHBondContact OD2-CB 3.36Å; D152-T166 WeakPolarHBondContact OD2-CG2 3.04Å; D152-T166 PolarHBondContact OD2-OG1 3.35Å; M154-T166 HydrophobicContact CE-CG2 3.86Å; M154-T166 WeakPolarHBondContact CE-OG1 3.45Å; A162-T166 PolarHBondContact O-N 3.27Å; A162-T166 PolarHBondContact O-OG1 3.28Å; I163-T166 PolarHBondContact O-N 2.92Å; T166-C168 PolarHBondContact O-N 3.02Å; T166-K169 PolarHBondContact O-N 3.41Å; T166-E170 HydrophobicContact CG2-CB 4.24Å; T166-E170 HydrophobicContact CG2-CG 4.37Å; T166-E170 WeakPolarHBondContact O-CB 3.44Å; T166-E170 PolarHBondContact O-N 3.46Å; T166-F171 HydrophobicContact CG2-CE1 4.21Å; T166-F171 HydrophobicContact CG2-CE2 4.17Å; T166-F171 HydrophobicContact CG2-CZ 3.97Å; T166-F171 PolarHBondContact O-N 3.43Å
167	L	88.9	Confident	87	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.016	27%	0.272	C	S	.	.	I	π-helix	trans	-57.9	-48.2	179.6	-87.7	163.2	0	0	0	112.1	I163 L164 F171 L172 I179 F198 L201	I163-L167 HydrophobicContact CG2-CD1 3.94Å; I163-L167 WeakPolarHBondContact O-CB 3.43Å; I163-L167 PolarHBondContact O-N 2.92Å; I163-L167 VanDerWaalsContact O-N 3.11Å; L164-L167 PolarHBondContact O-N 3.06Å; L167-F171 HydrophobicContact CD2-CD2 4.01Å; L167-L172 WeakPolarHBondContact O-CB 3.24Å; L167-L172 WeakPolarHBondContact O-CG 3.44Å; L167-L172 PolarHBondContact O-N 2.93Å; L167-I179 HydrophobicContact CD2-CD1 3.66Å; L167-F198 HydrophobicContact CD1-CD2 3.98Å; L167-F198 HydrophobicContact CD1-CE2 4.03Å; L167-F198 HydrophobicContact CD2-CE2 4.22Å; L167-F198 HydrophobicContact CG-CE2 4.27Å; L167-L201 HydrophobicContact CD1-CD2 3.72Å
168	C	87.4	Confident	87.7	Confident	39 Å²	39	46 Å²	46	26%	0.264	25%	0.246	S	C	.	.	I	π-helix	trans	-70.2	-46.1	178.9	-66.2	0	0	0	0	113.1	L164 T166 C406	L164-C168 WeakPolarHBondContact O-CB 3.35Å; L164-C168 PolarHBondContact O-N 3.33Å; L164-C168 PolarHBondContact O-SG 2.89Å; T166-C168 PolarHBondContact O-N 3.02Å; C168-C406 VanDerWaalsContact CA-SG 3.52Å; C168-C406 HydrophobicContact CB-CB 3.75Å; C168-C406 WeakPolarHBondContact CB-SG 3.32Å; C168-C406 WeakPolarHBondContact SG-CB 3.31Å; C168-C406 CovalentContact SG-SG 2.04Å; C168-C406 PolarHBondContact SG-SG 2.86Å
169	K	86.7	Confident	88.2	Confident	137 Å²	137	45.8 Å²	45.8	60%	0.596	24%	0.244	S	C	*	.	I	π-helix	trans	-86.4	-38.5	-168	-64.7	179.1	178.4	179.1	0	114.4	S165 T166 R173	S165-K169 VanDerWaalsContact O-CB 3.24Å; S165-K169 WeakPolarHBondContact O-CB 3.04Å; S165-K169 WeakPolarHBondContact O-CG 3.47Å; S165-K169 PolarHBondContact O-N 3.22Å; T166-K169 PolarHBondContact O-N 3.41Å; K169-R173 WeakPolarHBondContact O-CB 3.38Å; K169-R173 WeakPolarHBondContact O-CD 3.29Å
170	E	86.8	Confident	88.5	Confident	94 Å²	94	43.3 Å²	43.3	44%	0.439	23%	0.227	S	C	.	.	I	π-helix	trans	-100.2	-36.1	-174	-58.9	-56	134.1	0	0	112.5	T166 V174	T166-E170 HydrophobicContact CG2-CB 4.24Å; T166-E170 HydrophobicContact CG2-CG 4.37Å; T166-E170 WeakPolarHBondContact O-CB 3.44Å; T166-E170 PolarHBondContact O-N 3.46Å; E170-V174 WeakPolarHBondContact O-CG2 3.34Å
171	F	88.9	Confident	88.6	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	I	π-helix	trans	-98.9	-59.9	-170.6	-67.4	-5.7	0	0	0	113.4	I106 H150 T166 L167 R173 V174 N175 V176 I179	I106-F171 HydrophobicContact CD1-CE2 3.94Å; I106-F171 HydrophobicContact CD1-CZ 4.43Å; I106-F171 HydrophobicContact CG1-CE2 3.77Å; I106-F171 HydrophobicContact CG1-CZ 3.77Å; H150-F171 HydrophobicContact CB-CD1 4.46Å; H150-F171 WeakPolarHBondContact O-CE1 3.19Å; T166-F171 HydrophobicContact CG2-CE1 4.21Å; T166-F171 HydrophobicContact CG2-CE2 4.17Å; T166-F171 HydrophobicContact CG2-CZ 3.97Å; T166-F171 PolarHBondContact O-N 3.43Å; L167-F171 HydrophobicContact CD2-CD2 4.01Å; F171-R173 PolarHBondContact O-N 2.96Å; F171-V174 PolarHBondContact O-N 3.37Å; F171-N175 PolarHBondContact O-N 3.09Å; F171-V176 HydrophobicContact CB-CG1 4.14Å; F171-V176 HydrophobicContact CB-CG2 3.76Å; F171-V176 HydrophobicContact CD1-CG1 4.46Å; F171-V176 HydrophobicContact CG-CG1 4.46Å; F171-V176 HydrophobicContact CG-CG2 4.44Å; F171-V176 PolarHBondContact O-N 3.01Å; F171-I179 HydrophobicContact CD2-CD1 3.86Å; F171-I179 HydrophobicContact CD2-CG1 4.06Å; F171-I179 HydrophobicContact CD2-CG2 4.25Å; F171-I179 HydrophobicContact CE2-CD1 4.38Å; F171-I179 HydrophobicContact CE2-CG1 4.38Å; F171-I179 HydrophobicContact CE2-CG2 3.72Å; F171-I179 HydrophobicContact CZ-CG2 4.47Å
172	L	87.4	Confident	88.6	Confident	11 Å²	11	35.6 Å²	35.6	6%	0.058	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-63.4	-42.8	-177.8	-70.1	175	0	0	0	111.7	L167 V174 N175 L205 I207 L404	L167-L172 WeakPolarHBondContact O-CB 3.24Å; L167-L172 WeakPolarHBondContact O-CG 3.44Å; L167-L172 PolarHBondContact O-N 2.93Å; L172-V174 PolarHBondContact O-N 2.73Å; L172-N175 PolarHBondContact O-N 3.43Å; L172-L205 HydrophobicContact CD1-CD1 4.34Å; L172-I207 HydrophobicContact CD2-CD1 3.82Å; L172-L404 HydrophobicContact CD2-CB 3.76Å; L172-L404 HydrophobicContact CD2-CD1 3.7Å; L172-L404 HydrophobicContact CD2-CG 4.41Å
173	R	85.2	Confident	88.4	Confident	205 Å²	205	34.3 Å²	34.3	77%	0.774	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-52.4	-27.8	175.2	-171.4	177.9	-174.9	-170.5	3.6	114.4	K169 F171	K169-R173 WeakPolarHBondContact O-CB 3.38Å; K169-R173 WeakPolarHBondContact O-CD 3.29Å; F171-R173 PolarHBondContact O-N 2.96Å
174	V	85.1	Confident	88	Confident	41 Å²	41	35.6 Å²	35.6	25%	0.248	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-109.4	9.9	-175.3	-162.1	0	0	0	0	112.5	N102 H150 E170 F171 L172	N102-V174 HydrophobicContact CB-CG1 4.47Å; N102-V174 WeakPolarHBondContact ND2-CG1 3.47Å; N102-V174 PolarHBondContact ND2-O 3.09Å; H150-V174 WeakPolarHBondContact NE2-CG1 3.3Å; E170-V174 WeakPolarHBondContact O-CG2 3.34Å; F171-V174 PolarHBondContact O-N 3.37Å; L172-V174 PolarHBondContact O-N 2.73Å
175	N	87.4	Confident	87.3	Confident	47 Å²	47	33.4 Å²	33.4	25%	0.251	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	54.9	178.8	-58.6	-85.4	0	0	0	113.2	F171 L172 T401 Q402	F171-N175 PolarHBondContact O-N 3.09Å; L172-N175 PolarHBondContact O-N 3.43Å; N175-T401 WeakPolarHBondContact CA-OG1 3.37Å; N175-T401 PolarHBondContact O-OG1 2.9Å; N175-Q402 WeakPolarHBondContact OD1-CA 3.41Å; N175-Q402 WeakPolarHBondContact OD1-CG 3.44Å; N175-Q402 PolarHBondContact OD1-N 2.87Å; N175-Q402 VanDerWaalsContact OD1-N 3.13Å
176	V	90.1	Very high	86.4	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	140.9	173.7	-60.8	0	0	0	0	111.7	N102 F171 I179 T401	N102-V176 WeakPolarHBondContact O-CA 3.41Å; F171-V176 HydrophobicContact CB-CG1 4.14Å; F171-V176 HydrophobicContact CB-CG2 3.76Å; F171-V176 HydrophobicContact CD1-CG1 4.46Å; F171-V176 HydrophobicContact CG-CG1 4.46Å; F171-V176 HydrophobicContact CG-CG2 4.44Å; F171-V176 PolarHBondContact O-N 3.01Å; V176-I179 HydrophobicContact CG2-CG1 4.16Å; V176-T401 PolarHBondContact N-OG1 3.23Å; V176-T401 WeakPolarHBondContact O-CG2 3.39Å; V176-T401 PolarHBondContact O-OG1 3.43Å
177	S	89.3	Confident	85.4	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.007	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-19.8	-177.7	56.1	0	0	0	0	113.7	N102 P208 Y381 L399 W414	N102-S177 PolarHBondContact O-N 3.42Å; N102-S177 PolarHBondContact O-OG 3Å; S177-P208 WeakPolarHBondContact O-CD 3.29Å; S177-P208 WeakPolarHBondContact O-CG 3.22Å; S177-Y381 WeakPolarHBondContact OG-CE2 3.48Å; S177-Y381 PolarHBondContact OG-OH 3.42Å; S177-L399 WeakPolarHBondContact CB-O 3.25Å; S177-W414 WeakPolarHBondContact O-CZ3 3.47Å
178	A	92.2	Very high	84.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	161.2	173.6	0	0	0	0	0	109.2	G104 P208 Y381 F420	G104-A178 PolarHBondContact N-O 3.14Å; G104-A178 VanDerWaalsContact N-O 3.09Å; A178-P208 WeakPolarHBondContact CA-O 3.18Å; A178-P208 HydrophobicContact CB-CG 4.13Å; A178-Y381 HydrophobicContact CB-CD2 3.78Å; A178-Y381 HydrophobicContact CB-CE2 3.93Å; A178-F420 HydrophobicContact CB-CE1 4.45Å
179	I	92.5	Very high	83.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.7	173.4	-54.8	164.2	0	0	0	110.3	G104 L167 F171 V176 F198 I207 P208 V209 I210	G104-I179 CarbonylContact O-C 3.55Å; G104-I179 WeakPolarHBondContact O-CA 3.36Å; L167-I179 HydrophobicContact CD2-CD1 3.66Å; F171-I179 HydrophobicContact CD2-CD1 3.86Å; F171-I179 HydrophobicContact CD2-CG1 4.06Å; F171-I179 HydrophobicContact CD2-CG2 4.25Å; F171-I179 HydrophobicContact CE2-CD1 4.38Å; F171-I179 HydrophobicContact CE2-CG1 4.38Å; F171-I179 HydrophobicContact CE2-CG2 3.72Å; F171-I179 HydrophobicContact CZ-CG2 4.47Å; V176-I179 HydrophobicContact CG2-CG1 4.16Å; I179-F198 HydrophobicContact CB-CZ 4.32Å; I179-F198 HydrophobicContact CD1-CE2 4.38Å; I179-F198 HydrophobicContact CD1-CZ 4.16Å; I179-F198 HydrophobicContact CG2-CZ 3.78Å; I179-I207 HydrophobicContact CD1-CG2 3.99Å; I179-I207 HydrophobicContact CG1-CG2 3.98Å; I179-P208 PolarHBondContact N-O 3.37Å; I179-V209 VanDerWaalsContact O-CA 3.3Å; I179-V209 WeakPolarHBondContact O-CA 3.3Å; I179-I210 PolarHBondContact O-N 2.87Å
180	L	93.1	Very high	82.1	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	114.8	173.4	-49.1	-174.5	0	0	0	108.4	I103 G104 L105 I106 M182 I210 A377 I378	I103-L180 HydrophobicContact CG2-CD1 4.19Å; I103-L180 HydrophobicContact CG2-CD2 4.34Å; I103-L180 HydrophobicContact CG2-CG 3.84Å; G104-L180 PolarHBondContact O-N 3.41Å; L105-L180 WeakPolarHBondContact CA-O 3.38Å; L105-L180 HydrophobicContact CB-CB 4.45Å; L105-L180 HydrophobicContact CD1-CB 3.67Å; L105-L180 HydrophobicContact CD1-CD1 4.41Å; I106-L180 PolarHBondContact N-O 2.83Å; L180-M182 HydrophobicContact CB-CG 4.03Å; L180-M182 HydrophobicContact CB-SD 4.43Å; L180-I210 CarbonylContact C-O 3.55Å; L180-I210 WeakPolarHBondContact CA-O 3.43Å; L180-I210 HydrophobicContact CD2-CB 3.92Å; L180-I210 HydrophobicContact CD2-CD1 4.02Å; L180-I210 HydrophobicContact CD2-CG1 4.27Å; L180-A377 HydrophobicContact CD1-CB 4.26Å; L180-A377 HydrophobicContact CD2-CB 4.09Å; L180-I378 HydrophobicContact CD1-CG1 3.97Å
181	Y	89.6	Confident	80.9	Confident	8 Å²	8	38.3 Å²	38.3	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	89.6	-178.2	-173.9	-101.5	0	0	0	110.5	I106 M183 A195 F198 I210 S211 W212	I106-Y181 HydrophobicContact CB-CD2 4.11Å; I106-Y181 HydrophobicContact CD1-CD2 4.01Å; I106-Y181 HydrophobicContact CD1-CE2 4.39Å; I106-Y181 HydrophobicContact CG2-CD2 4.13Å; I106-Y181 HydrophobicContact CG2-CE2 4.14Å; Y181-M183 HydrophobicContact CD1-CG 4.36Å; Y181-M183 HydrophobicContact CE1-CB 4.33Å; Y181-M183 HydrophobicContact CE1-CG 3.68Å; Y181-M183 HydrophobicContact CE2-CE 4.13Å; Y181-M183 HydrophobicContact CE2-CG 4.16Å; Y181-A195 HydrophobicContact CE1-CB 4.17Å; Y181-F198 AromaticContact CD2-CD1 3.45Å; Y181-F198 HydrophobicContact CD2-CD1 3.45Å; Y181-F198 VanDerWaalsContact CD2-CD1 3.45Å; Y181-F198 AromaticContact CD2-CE1 3.46Å; Y181-F198 HydrophobicContact CD2-CE1 3.46Å; Y181-F198 VanDerWaalsContact CD2-CE1 3.46Å; Y181-F198 HydrophobicContact CD2-CG 4.17Å; Y181-F198 HydrophobicContact CD2-CZ 4.15Å; Y181-F198 AromaticContact CE2-CD1 3.74Å; Y181-F198 HydrophobicContact CE2-CD1 3.74Å; Y181-F198 HydrophobicContact CE2-CE1 4.22Å; Y181-F198 HydrophobicContact CE2-CG 4.12Å; Y181-F198 AromaticContact CG-CD1 3.92Å; Y181-F198 HydrophobicContact CG-CD1 3.92Å; Y181-F198 AromaticContact CG-CE1 3.77Å; Y181-F198 HydrophobicContact CG-CE1 3.77Å; Y181-I210 PolarHBondContact N-O 3.06Å; Y181-S211 VanDerWaalsContact O-CA 3.3Å; Y181-S211 WeakPolarHBondContact O-CA 3.32Å; Y181-W212 PolarHBondContact O-N 2.92Å
182	M	88.3	Confident	79.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.			trans	-112.4	72.8	-162.9	-52.1	-55	-90.2	0	0	110.3	L105 I106 P108 L180 W212 L232 L370 E373 I374 A377	L105-M182 HydrophobicContact CD1-CB 4.1Å; L105-M182 HydrophobicContact CD1-CG 3.6Å; I106-M182 PolarHBondContact O-N 3.23Å; P108-M182 WeakPolarHBondContact CD-O 3.37Å; L180-M182 HydrophobicContact CB-CG 4.03Å; L180-M182 HydrophobicContact CB-SD 4.43Å; M182-W212 HydrophobicContact CE-CB 3.93Å; M182-W212 HydrophobicContact SD-CB 3.98Å; M182-L232 HydrophobicContact CE-CD1 4.25Å; M182-L370 HydrophobicContact CB-CD1 4Å; M182-L370 WeakPolarHBondContact O-CD1 3.41Å; M182-E373 VanDerWaalsContact CE-C 3.42Å; M182-E373 HydrophobicContact CE-CB 4.19Å; M182-E373 VanDerWaalsContact CE-O 3.31Å; M182-E373 WeakPolarHBondContact CE-O 3.38Å; M182-I374 HydrophobicContact CB-CD1 4.39Å; M182-I374 HydrophobicContact CB-CG1 4.01Å; M182-I374 HydrophobicContact CE-CG1 4.06Å; M182-I374 HydrophobicContact CG-CG1 3.95Å; M182-A377 HydrophobicContact CE-CB 3.86Å
183	M	82.3	Confident	79.1	Confident	7 Å²	7	41.8 Å²	41.8	3%	0.034	21%	0.214	C	C	.	.			trans	-91.1	151.8	174.3	-68.3	-62.8	-160.4	0	0	112.1	I106 P108 M154 S155 L156 Y181	I106-M183 HydrophobicContact CG2-CE 4.11Å; P108-M183 HydrophobicContact CB-SD 4.26Å; M154-M183 HydrophobicContact CB-CE 4.16Å; S155-M183 WeakPolarHBondContact O-CE 3.32Å; L156-M183 HydrophobicContact CD2-SD 4.38Å; Y181-M183 HydrophobicContact CD1-CG 4.36Å; Y181-M183 HydrophobicContact CE1-CB 4.33Å; Y181-M183 HydrophobicContact CE1-CG 3.68Å; Y181-M183 HydrophobicContact CE2-CE 4.13Å; Y181-M183 HydrophobicContact CE2-CG 4.16Å
184	N	80.4	Confident	78.8	Confident	27 Å²	27	32.7 Å²	32.7	14%	0.144	18%	0.182	C	C	.	.			trans	-127.6	36.3	174.6	72.6	-28.6	0	0	0	112.7	P108 E186 L370	P108-N184 VanDerWaalsContact CG-OD1 3.31Å; P108-N184 WeakPolarHBondContact CG-OD1 3.47Å; N184-E186 PolarHBondContact O-N 3.46Å; N184-L370 HydrophobicContact CB-CB 4.48Å; N184-L370 HydrophobicContact CB-CD1 4.32Å; N184-L370 HydrophobicContact CB-CD2 4.06Å
185	N	74.4	Confident	78.5	Confident	21 Å²	21	31.2 Å²	31.2	11%	0.112	17%	0.174	C	C	.	.			trans	-67.9	135.7	176.3	-167.6	9.8	0	0	0	110.3	L156 Q187 S191 N213 N216	L156-N185 HydrophobicContact CD2-CB 4.21Å; N185-Q187 PolarHBondContact ND2-O 3.15Å; N185-Q187 PolarHBondContact OD1-N 3.44Å; N185-S191 WeakPolarHBondContact ND2-CB 3.42Å; N185-S191 PolarHBondContact ND2-OG 3.46Å; N185-N213 PolarHBondContact O-ND2 2.78Å; N185-N213 VanDerWaalsContact O-ND2 3.16Å; N185-N216 PolarHBondContact O-ND2 3.15Å
186	E	69.1	Low	78.1	Confident	75 Å²	75	32.3 Å²	32.3	35%	0.35	18%	0.177	S	C	.	.			trans	-102.7	-11.3	176.4	-66.4	174.4	147.7	0	0	111.5	N184 F188 T365	N184-E186 PolarHBondContact O-N 3.46Å; E186-F188 WeakPolarHBondContact O-CD2 3.4Å; E186-T365 HydrophobicContact CG-CG2 4.36Å; E186-T365 WeakPolarHBondContact CG-OG1 3.25Å; E186-T365 WeakPolarHBondContact OE1-CB 3.47Å; E186-T365 PolarHBondContact OE1-OG1 2.91Å
187	Q	68.5	Low	77.7	Confident	107 Å²	107	35.7 Å²	35.7	50%	0.5	19%	0.191	S	C	.	.			trans	-92	122.5	-179.3	-51.9	-153.1	-75.3	0	0	112.1	N185 S191 N216 E346	N185-Q187 PolarHBondContact ND2-O 3.15Å; N185-Q187 PolarHBondContact OD1-N 3.44Å; Q187-S191 PolarHBondContact O-OG 3.42Å; Q187-S191 VanDerWaalsContact O-OG 3.1Å; Q187-N216 PolarHBondContact O-ND2 3.19Å; Q187-E346 WeakPolarHBondContact CG-OE2 3.47Å; Q187-E346 PolarHBondContact NE2-OE2 3.39Å
188	F	68.9	Low	77.5	Confident	17 Å²	17	35.7 Å²	35.7	8%	0.075	19%	0.191	C	C	.	.			trans	-91.6	123.8	176.2	-69.2	-110.4	0	0	0	108.6	E186 N216 I262 T315 Q342	E186-F188 WeakPolarHBondContact O-CD2 3.4Å; F188-N216 HydrophobicContact CD1-CB 4.46Å; F188-N216 WeakPolarHBondContact CD1-O 3.47Å; F188-N216 HydrophobicContact CE1-CB 4.35Å; F188-N216 VanDerWaalsContact CZ-OD1 3.26Å; F188-N216 WeakPolarHBondContact CZ-OD1 3.46Å; F188-I262 HydrophobicContact CB-CD1 4.36Å; F188-I262 HydrophobicContact CD1-CD1 4.44Å; F188-T315 HydrophobicContact CB-CG2 4.06Å; F188-T315 WeakPolarHBondContact O-CG2 3.27Å; F188-Q342 HydrophobicContact CE2-CG 4.05Å; F188-Q342 HydrophobicContact CZ-CB 4.44Å; F188-Q342 HydrophobicContact CZ-CG 3.85Å
189	G	67.1	Low	77.2	Confident	34 Å²	34	36.3 Å²	36.3	35%	0.351	19%	0.194	S	C	.	.	S	Bend	trans	158.7	-142.7	-173	0	0	0	0	0	113.5	S191 T192	G189-S191 PolarHBondContact O-N 2.04Å; G189-T192 WeakPolarHBondContact O-CB 3.29Å; G189-T192 WeakPolarHBondContact O-CG2 3.32Å; G189-T192 PolarHBondContact O-N 2.97Å; G189-T192 VanDerWaalsContact O-N 3.13Å; G189-T192 PolarHBondContact O-OG1 2.92Å
190	H	57.2	Low	76.7	Confident	188 Å²	188	40.7 Å²	40.7	87%	0.87	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-14.5	-175.3	-62.4	-59.6	0	0	0	115.7	T192	H190-T192 PolarHBondContact O-N 3.43Å
191	S	61.8	Low	76.4	Confident	15 Å²	15	42.5 Å²	42.5	11%	0.105	22%	0.224	C	C	.	.	H	α-helix	trans	-59.1	-25.7	172.1	47	0	0	0	0	114.1	N185 Q187 G189 S194	N185-S191 WeakPolarHBondContact ND2-CB 3.42Å; N185-S191 PolarHBondContact ND2-OG 3.46Å; Q187-S191 PolarHBondContact O-OG 3.42Å; Q187-S191 VanDerWaalsContact O-OG 3.1Å; G189-S191 PolarHBondContact O-N 2.04Å; S191-S194 PolarHBondContact O-N 3.48Å; S191-S194 PolarHBondContact O-OG 3.02Å
192	T	67.3	Low	76.3	Confident	28 Å²	28	42.1 Å²	42.1	17%	0.172	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-44.3	-177.3	53.5	0	0	0	0	113	G189 H190 S194 A195 Q196 N216	G189-T192 WeakPolarHBondContact O-CB 3.29Å; G189-T192 WeakPolarHBondContact O-CG2 3.32Å; G189-T192 PolarHBondContact O-N 2.97Å; G189-T192 VanDerWaalsContact O-N 3.13Å; G189-T192 PolarHBondContact O-OG1 2.92Å; H190-T192 PolarHBondContact O-N 3.43Å; T192-S194 VanDerWaalsContact C-N 3.27Å; T192-S194 PolarHBondContact O-N 2.95Å; T192-A195 PolarHBondContact O-N 2.99Å; T192-A195 VanDerWaalsContact O-N 3.09Å; T192-Q196 WeakPolarHBondContact O-CB 3.39Å; T192-Q196 PolarHBondContact O-N 3.34Å; T192-N216 WeakPolarHBondContact CG2-O 3.31Å
193	A	72.2	Confident	76.1	Confident	57 Å²	57	42.7 Å²	42.7	47%	0.471	23%	0.228	S	C	.	.	H	α-helix	trans	-59.4	-35.6	-178.7	0	0	0	0	0	112.7	Y197	A193-Y197 VanDerWaalsContact O-CB 3.3Å; A193-Y197 WeakPolarHBondContact O-CB 3.33Å; A193-Y197 PolarHBondContact O-N 3.38Å
194	S	78.2	Confident	76.3	Confident	13 Å²	13	50 Å²	50	9%	0.091	26%	0.256	C	S	.	.	H	α-helix	trans	-70.3	-36.7	175.8	34.2	0	0	0	0	113.4	P158 I163 S191 T192 F198	P158-S194 VanDerWaalsContact O-CB 3.28Å; P158-S194 WeakPolarHBondContact O-CB 3.36Å; I163-S194 WeakPolarHBondContact CD1-O 3.34Å; S191-S194 PolarHBondContact O-N 3.48Å; S191-S194 PolarHBondContact O-OG 3.02Å; T192-S194 VanDerWaalsContact C-N 3.27Å; T192-S194 PolarHBondContact O-N 2.95Å; S194-F198 PolarHBondContact O-N 2.83Å
195	A	78.7	Confident	76.6	Confident	10 Å²	10	49.7 Å²	49.7	8%	0.083	26%	0.255	C	S	.	.	H	α-helix	trans	-70.1	-46.2	174.4	0	0	0	0	0	111.2	Y181 T192 Y197 F198 L199	Y181-A195 HydrophobicContact CE1-CB 4.17Å; T192-A195 PolarHBondContact O-N 2.99Å; T192-A195 VanDerWaalsContact O-N 3.09Å; A195-Y197 VanDerWaalsContact C-N 3.35Å; A195-Y197 PolarHBondContact O-N 3.32Å; A195-F198 PolarHBondContact O-N 2.95Å; A195-L199 VanDerWaalsContact O-CG 3.3Å; A195-L199 WeakPolarHBondContact O-CG 3.46Å; A195-L199 PolarHBondContact O-N 2.98Å
196	Q	78.4	Confident	77.2	Confident	70 Å²	70	48.7 Å²	48.7	33%	0.327	25%	0.249	S	C	.	.	H	α-helix	trans	-55.9	-46.8	176.2	-175.6	-177	7.6	0	0	111.8	T192 F198 L199 Q200	T192-Q196 WeakPolarHBondContact O-CB 3.39Å; T192-Q196 PolarHBondContact O-N 3.34Å; Q196-F198 PolarHBondContact O-N 3.04Å; Q196-L199 PolarHBondContact O-N 2.88Å; Q196-Q200 VanDerWaalsContact O-CB 3.31Å; Q196-Q200 WeakPolarHBondContact O-CB 3.34Å; Q196-Q200 PolarHBondContact O-N 3.03Å
197	Y	82.3	Confident	78.2	Confident	72 Å²	72	45.1 Å²	45.1	28%	0.282	23%	0.233	S	C	.	.	H	α-helix	trans	-60.2	-42.9	178	-179.2	-99.9	0	0	0	112.5	P160 I163 L164 A193 A195 L201	P160-Y197 HydrophobicContact CB-CD1 4.01Å; P160-Y197 HydrophobicContact CB-CE1 3.66Å; P160-Y197 HydrophobicContact CG-CD1 4.47Å; I163-Y197 HydrophobicContact CB-CD1 4.37Å; I163-Y197 HydrophobicContact CB-CE1 4.42Å; I163-Y197 HydrophobicContact CD1-CD1 3.85Å; I163-Y197 HydrophobicContact CG2-CD1 4.11Å; I163-Y197 HydrophobicContact CG2-CE1 4.2Å; L164-Y197 HydrophobicContact CG-CE1 4.36Å; A193-Y197 VanDerWaalsContact O-CB 3.3Å; A193-Y197 WeakPolarHBondContact O-CB 3.33Å; A193-Y197 PolarHBondContact O-N 3.38Å; A195-Y197 VanDerWaalsContact C-N 3.35Å; A195-Y197 PolarHBondContact O-N 3.32Å; Y197-L201 HydrophobicContact CE1-CD1 4.3Å; Y197-L201 VanDerWaalsContact O-CB 3.29Å; Y197-L201 WeakPolarHBondContact O-CB 3.34Å; Y197-L201 PolarHBondContact O-N 2.94Å; Y197-L201 VanDerWaalsContact O-N 3.15Å
198	F	85.3	Confident	79.3	Confident	1 Å²	1	40 Å²	40	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-62.6	-48.4	175.4	170.1	-98.5	0	0	0	112.1	I106 I163 L167 I179 Y181 S194 A195 Q196 L201 A202 V209	I106-F198 HydrophobicContact CD1-CD2 4.04Å; I106-F198 HydrophobicContact CD1-CE2 3.56Å; I106-F198 HydrophobicContact CD1-CZ 3.88Å; I163-F198 HydrophobicContact CD1-CB 4.42Å; I163-F198 HydrophobicContact CG2-CB 4.08Å; I163-F198 HydrophobicContact CG2-CD2 3.94Å; L167-F198 HydrophobicContact CD1-CD2 3.98Å; L167-F198 HydrophobicContact CD1-CE2 4.03Å; L167-F198 HydrophobicContact CD2-CE2 4.22Å; L167-F198 HydrophobicContact CG-CE2 4.27Å; I179-F198 HydrophobicContact CB-CZ 4.32Å; I179-F198 HydrophobicContact CD1-CE2 4.38Å; I179-F198 HydrophobicContact CD1-CZ 4.16Å; I179-F198 HydrophobicContact CG2-CZ 3.78Å; Y181-F198 AromaticContact CD2-CD1 3.45Å; Y181-F198 HydrophobicContact CD2-CD1 3.45Å; Y181-F198 VanDerWaalsContact CD2-CD1 3.45Å; Y181-F198 AromaticContact CD2-CE1 3.46Å; Y181-F198 HydrophobicContact CD2-CE1 3.46Å; Y181-F198 VanDerWaalsContact CD2-CE1 3.46Å; Y181-F198 HydrophobicContact CD2-CG 4.17Å; Y181-F198 HydrophobicContact CD2-CZ 4.15Å; Y181-F198 AromaticContact CE2-CD1 3.74Å; Y181-F198 HydrophobicContact CE2-CD1 3.74Å; Y181-F198 HydrophobicContact CE2-CE1 4.22Å; Y181-F198 HydrophobicContact CE2-CG 4.12Å; Y181-F198 AromaticContact CG-CD1 3.92Å; Y181-F198 HydrophobicContact CG-CD1 3.92Å; Y181-F198 AromaticContact CG-CE1 3.77Å; Y181-F198 HydrophobicContact CG-CE1 3.77Å; S194-F198 PolarHBondContact O-N 2.83Å; A195-F198 PolarHBondContact O-N 2.95Å; Q196-F198 PolarHBondContact O-N 3.04Å; F198-L201 PolarHBondContact O-N 2.81Å; F198-A202 HydrophobicContact CZ-CB 4.44Å; F198-A202 WeakPolarHBondContact O-CB 3.37Å; F198-A202 PolarHBondContact O-N 2.69Å; F198-V209 HydrophobicContact CE1-CG1 4.12Å; F198-V209 HydrophobicContact CE1-CG2 4.22Å; F198-V209 HydrophobicContact CZ-CG2 4.48Å
199	L	84.6	Confident	80.4	Confident	13 Å²	13	39.5 Å²	39.5	7%	0.068	21%	0.207	C	C	.	.	H	α-helix	trans	-67.5	-41.4	-175.7	-66.2	163.7	0	0	0	112.2	A195 Q196 G203 V209 A214 S226 Q229	A195-L199 VanDerWaalsContact O-CG 3.3Å; A195-L199 WeakPolarHBondContact O-CG 3.46Å; A195-L199 PolarHBondContact O-N 2.98Å; Q196-L199 PolarHBondContact O-N 2.88Å; L199-G203 PolarHBondContact O-N 3.09Å; L199-V209 HydrophobicContact CD2-CB 4.32Å; L199-V209 HydrophobicContact CD2-CG1 3.84Å; L199-V209 HydrophobicContact CD2-CG2 4.5Å; L199-A214 HydrophobicContact CD1-CB 3.83Å; L199-S226 WeakPolarHBondContact O-CB 3.36Å; L199-Q229 HydrophobicContact CD2-CG 4.38Å
200	Q	83.6	Confident	81.6	Confident	91 Å²	91	37.9 Å²	37.9	43%	0.425	19%	0.19	S	C	.	.	H	α-helix	trans	-63	-41.6	175	-171.2	175.8	22.2	0	0	111.5	Q196 G203 Y204	Q196-Q200 VanDerWaalsContact O-CB 3.31Å; Q196-Q200 WeakPolarHBondContact O-CB 3.34Å; Q196-Q200 PolarHBondContact O-N 3.03Å; Q200-G203 PolarHBondContact O-N 2.79Å; Q200-Y204 WeakPolarHBondContact O-CB 3.34Å; Q200-Y204 PolarHBondContact O-N 2.85Å
201	L	85.9	Confident	83.1	Confident	39 Å²	39	28.9 Å²	28.9	20%	0.204	15%	0.149	C	C	.	.	H	α-helix	trans	-74.2	-37.2	-179.4	-165	144.1	0	0	0	112.5	L164 L167 Y197 F198 Y204 L205	L164-L201 HydrophobicContact CD2-CD1 3.71Å; L167-L201 HydrophobicContact CD1-CD2 3.72Å; Y197-L201 HydrophobicContact CE1-CD1 4.3Å; Y197-L201 VanDerWaalsContact O-CB 3.29Å; Y197-L201 WeakPolarHBondContact O-CB 3.34Å; Y197-L201 PolarHBondContact O-N 2.94Å; Y197-L201 VanDerWaalsContact O-N 3.15Å; F198-L201 PolarHBondContact O-N 2.81Å; L201-Y204 PolarHBondContact O-N 3.3Å; L201-L205 HydrophobicContact CD2-CD1 3.77Å; L201-L205 HydrophobicContact CD2-CG 4.34Å; L201-L205 WeakPolarHBondContact O-CG 3.41Å; L201-L205 PolarHBondContact O-N 3.38Å
202	A	87	Confident	84.3	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.2	-42.4	171.1	0	0	0	0	0	111.9	F198 L205 G206 I207 V209	F198-A202 HydrophobicContact CZ-CB 4.44Å; F198-A202 WeakPolarHBondContact O-CB 3.37Å; F198-A202 PolarHBondContact O-N 2.69Å; A202-L205 PolarHBondContact O-N 3.37Å; A202-G206 PolarHBondContact O-N 3.37Å; A202-G206 VanDerWaalsContact O-N 3.16Å; A202-I207 PolarHBondContact O-N 3.38Å; A202-V209 HydrophobicContact CB-CG2 3.58Å
203	G	85.7	Confident	84.7	Confident	12 Å²	12	28.2 Å²	28.2	12%	0.124	14%	0.142	C	C	.	.	H	α-helix	trans	-61.9	-41.4	173.5	0	0	0	0	0	113.2	L199 Q200 G206	L199-G203 PolarHBondContact O-N 3.09Å; Q200-G203 PolarHBondContact O-N 2.79Å; G203-G206 PolarHBondContact O-N 3Å
204	Y	85.3	Confident	84.1	Confident	159 Å²	159	25.7 Å²	25.7	62%	0.624	12%	0.121	S	C	*	.	H	α-helix	trans	-61	-44.3	174.3	177.9	-91.3	0	0	0	112.3	Q200 L201 G206	Q200-Y204 WeakPolarHBondContact O-CB 3.34Å; Q200-Y204 PolarHBondContact O-N 2.85Å; L201-Y204 PolarHBondContact O-N 3.3Å; Y204-G206 PolarHBondContact O-N 3.3Å
205	L	87.1	Confident	83.4	Confident	21 Å²	21	27.2 Å²	27.2	11%	0.11	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-11.6	173.9	-68.4	171.6	0	0	0	113.2	L172 L201 A202 I207 L404 W414	L172-L205 HydrophobicContact CD1-CD1 4.34Å; L201-L205 HydrophobicContact CD2-CD1 3.77Å; L201-L205 HydrophobicContact CD2-CG 4.34Å; L201-L205 WeakPolarHBondContact O-CG 3.41Å; L201-L205 PolarHBondContact O-N 3.38Å; A202-L205 PolarHBondContact O-N 3.37Å; L205-I207 VanDerWaalsContact C-N 3.31Å; L205-I207 HydrophobicContact CB-CD1 4.13Å; L205-I207 HydrophobicContact CB-CG1 4.05Å; L205-I207 HydrophobicContact CD1-CD1 4.25Å; L205-L404 HydrophobicContact CB-CD1 4.23Å; L205-L404 HydrophobicContact CD2-CD1 4.46Å; L205-L404 HydrophobicContact CD2-CD2 4.15Å; L205-W414 WeakPolarHBondContact O-CB 3.48Å; L205-W414 PolarHBondContact O-N 2.88Å
206	G	87.5	Confident	82.5	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	13	-175.9	0	0	0	0	0	114.2	A202 G203 Y204 G417	A202-G206 PolarHBondContact O-N 3.37Å; A202-G206 VanDerWaalsContact O-N 3.16Å; G203-G206 PolarHBondContact O-N 3Å; Y204-G206 PolarHBondContact O-N 3.3Å; G206-G417 WeakPolarHBondContact O-CA 3.48Å
207	I	89.9	Confident	81.5	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.116	C	C	.	.			trans	-88.2	125	-177	-58	175.8	0	0	0	109.3	L172 I179 A202 L205 T401 L404	L172-I207 HydrophobicContact CD2-CD1 3.82Å; I179-I207 HydrophobicContact CD1-CG2 3.99Å; I179-I207 HydrophobicContact CG1-CG2 3.98Å; A202-I207 PolarHBondContact O-N 3.38Å; L205-I207 VanDerWaalsContact C-N 3.31Å; L205-I207 HydrophobicContact CB-CD1 4.13Å; L205-I207 HydrophobicContact CB-CG1 4.05Å; L205-I207 HydrophobicContact CD1-CD1 4.25Å; I207-T401 HydrophobicContact CG1-CG2 4.47Å; I207-L404 HydrophobicContact CD1-CD1 3.79Å; I207-L404 HydrophobicContact CG1-CD1 3.96Å
208	P	92.1	Very high	80.2	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.006	10%	0.103	C	C	.	.			trans	-70.8	138.8	178.3	28.6	-33.3	0	0	0	111.7	S177 A178 I179 L228 F420 F421 L424	S177-P208 WeakPolarHBondContact O-CD 3.29Å; S177-P208 WeakPolarHBondContact O-CG 3.22Å; A178-P208 WeakPolarHBondContact CA-O 3.18Å; A178-P208 HydrophobicContact CB-CG 4.13Å; I179-P208 PolarHBondContact N-O 3.37Å; P208-L228 WeakPolarHBondContact CA-O 3.46Å; P208-F420 HydrophobicContact CG-CD1 3.89Å; P208-F420 HydrophobicContact CG-CE1 4.27Å; P208-F421 HydrophobicContact CB-CB 4.26Å; P208-F421 HydrophobicContact CB-CD2 3.94Å; P208-L424 HydrophobicContact CB-CD1 3.8Å; P208-L424 HydrophobicContact CG-CD1 3.88Å
209	V	90.9	Very high	78.7	Confident	5 Å²	5	23.7 Å²	23.7	3%	0.03	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	136.7	179.3	-178.1	0	0	0	0	110.1	I179 F198 L199 A202 L228 Q229 L230	I179-V209 VanDerWaalsContact O-CA 3.3Å; I179-V209 WeakPolarHBondContact O-CA 3.3Å; F198-V209 HydrophobicContact CE1-CG1 4.12Å; F198-V209 HydrophobicContact CE1-CG2 4.22Å; F198-V209 HydrophobicContact CZ-CG2 4.48Å; L199-V209 HydrophobicContact CD2-CB 4.32Å; L199-V209 HydrophobicContact CD2-CG1 3.84Å; L199-V209 HydrophobicContact CD2-CG2 4.5Å; A202-V209 HydrophobicContact CB-CG2 3.58Å; V209-L228 PolarHBondContact N-O 2.89Å; V209-Q229 CarbonylContact O-C 3.56Å; V209-Q229 WeakPolarHBondContact O-CA 3.36Å; V209-L230 PolarHBondContact O-N 2.67Å
210	I	92.4	Very high	77.5	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.3	166.1	-54.1	175.9	0	0	0	107.2	I179 L180 Y181 L230 L232 A377 I380	I179-I210 PolarHBondContact O-N 2.87Å; L180-I210 CarbonylContact C-O 3.55Å; L180-I210 WeakPolarHBondContact CA-O 3.43Å; L180-I210 HydrophobicContact CD2-CB 3.92Å; L180-I210 HydrophobicContact CD2-CD1 4.02Å; L180-I210 HydrophobicContact CD2-CG1 4.27Å; Y181-I210 PolarHBondContact N-O 3.06Å; I210-L230 WeakPolarHBondContact CA-O 3.35Å; I210-L230 HydrophobicContact CG1-CB 4.48Å; I210-L232 HydrophobicContact CG2-CD1 3.8Å; I210-L232 HydrophobicContact CG2-CG 4.11Å; I210-A377 HydrophobicContact CG2-CB 3.92Å; I210-I380 HydrophobicContact CD1-CB 4.27Å; I210-I380 HydrophobicContact CD1-CG2 3.9Å
211	S	88.8	Confident	76.2	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.4	-173.4	54.7	0	0	0	0	112.8	Y181 Q229 L230 L232	Y181-S211 VanDerWaalsContact O-CA 3.3Å; Y181-S211 WeakPolarHBondContact O-CA 3.32Å; S211-Q229 PolarHBondContact OG-NE2 3.33Å; S211-L230 PolarHBondContact N-O 3.25Å; S211-L230 PolarHBondContact OG-O 2.85Å; S211-L232 PolarHBondContact O-N 3.05Å
212	W	86.3	Confident	74.8	Confident	19 Å²	19	30.1 Å²	30.1	7%	0.072	14%	0.135	C	C	.	.	S	Bend	trans	-72.1	-81.1	167.8	177.4	-126.1	0	0	0	109.7	Y181 M182 L232 A233 A369 L370 E373	Y181-W212 PolarHBondContact O-N 2.92Å; M182-W212 HydrophobicContact CE-CB 3.93Å; M182-W212 HydrophobicContact SD-CB 3.98Å; W212-L232 HydrophobicContact CE3-CB 3.65Å; W212-L232 HydrophobicContact CZ3-CB 4.13Å; W212-L232 WeakPolarHBondContact CZ3-O 3.3Å; W212-A233 WeakPolarHBondContact O-CB 3.48Å; W212-A233 PolarHBondContact O-N 3.31Å; W212-A369 HydrophobicContact CZ2-CB 4.24Å; W212-L370 HydrophobicContact CB-CD1 4.29Å; W212-L370 HydrophobicContact CG-CD1 4.14Å; W212-E373 HydrophobicContact CD2-CB 4.03Å; W212-E373 HydrophobicContact CD2-CG 4Å; W212-E373 HydrophobicContact CE3-CB 3.78Å; W212-E373 HydrophobicContact CE3-CG 3.53Å; W212-E373 HydrophobicContact CG-CB 4.48Å; W212-E373 HydrophobicContact CH2-CG 3.85Å; W212-E373 HydrophobicContact CZ2-CG 4.26Å; W212-E373 HydrophobicContact CZ3-CB 4.25Å; W212-E373 HydrophobicContact CZ3-CG 3.47Å; W212-E373 VanDerWaalsContact CZ3-CG 3.47Å
213	N	76.8	Confident	72.9	Confident	10 Å²	10	32.8 Å²	32.8	5%	0.053	16%	0.158	C	C	.	.	S	Bend	trans	-112.6	89.3	178.4	-168.9	12.2	0	0	0	111.3	N185 N216	N185-N213 PolarHBondContact O-ND2 2.78Å; N185-N213 VanDerWaalsContact O-ND2 3.16Å; N213-N216 PolarHBondContact ND2-OD1 3.05Å; N213-N216 PolarHBondContact OD1-OD1 2.91Å
214	A	58.9	Low	71.3	Confident	4 Å²	4	33 Å²	33	3%	0.033	16%	0.157	C	C	.	.			trans	-91.3	-43.6	171.8	0	0	0	0	0	111.4	L199 N216	L199-A214 HydrophobicContact CD1-CB 3.83Å; A214-N216 PolarHBondContact O-N 3.29Å
215	D	63.1	Low	69.8	Low	44 Å²	44	33.1 Å²	33.1	24%	0.235	16%	0.163	C	C	.	.			trans	-81.4	30.6	-168.7	-67.1	8.2	0	0	0	114.8	S217 G218 Q231	D215-S217 PolarHBondContact O-N 3.06Å; D215-G218 PolarHBondContact O-N 2.9Å; D215-Q231 VanDerWaalsContact CG-NE2 3.26Å; D215-Q231 PolarHBondContact OD1-OE1 3.49Å; D215-Q231 PolarHBondContact OD2-NE2 3.32Å
216	N	61.4	Low	68.5	Low	11 Å²	11	32.4 Å²	32.4	6%	0.059	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-1.8	162.3	-106.7	35.5	0	0	0	112.9	N185 Q187 F188 T192 N213 A214	N185-N216 PolarHBondContact O-ND2 3.15Å; Q187-N216 PolarHBondContact O-ND2 3.19Å; F188-N216 HydrophobicContact CD1-CB 4.46Å; F188-N216 WeakPolarHBondContact CD1-O 3.47Å; F188-N216 HydrophobicContact CE1-CB 4.35Å; F188-N216 VanDerWaalsContact CZ-OD1 3.26Å; F188-N216 WeakPolarHBondContact CZ-OD1 3.46Å; T192-N216 WeakPolarHBondContact CG2-O 3.31Å; N213-N216 PolarHBondContact ND2-OD1 3.05Å; N213-N216 PolarHBondContact OD1-OD1 2.91Å; A214-N216 PolarHBondContact O-N 3.29Å
217	S	56.1	Low	67.6	Low	16 Å²	16	36.2 Å²	36.2	11%	0.112	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-20.6	171.4	56.5	0	0	0	0	114.3	D215 L219 A263	D215-S217 PolarHBondContact O-N 3.06Å; S217-L219 PolarHBondContact O-N 2.96Å; S217-L219 PolarHBondContact OG-N 2.9Å; S217-A263 CarbonylContact O-C 3.59Å; S217-A263 WeakPolarHBondContact O-CB 3.34Å
218	G	54.7	Low	67.4	Low	1 Å²	1	36.6 Å²	36.6	1%	0.01	19%	0.185	C	C	.	.			trans	60	-5.2	-166.2	0	0	0	0	0	116.4	D215 E220 I236 G264 Y313	D215-G218 PolarHBondContact O-N 2.9Å; G218-E220 PolarHBondContact O-N 3.42Å; G218-I236 VanDerWaalsContact CA-CD1 3.48Å; G218-I236 WeakPolarHBondContact O-CD1 3.31Å; G218-G264 VanDerWaalsContact C-CA 3.46Å; G218-G264 WeakPolarHBondContact O-CA 3.41Å; G218-Y313 WeakPolarHBondContact CA-OH 3.35Å
219	L	55.4	Low	67.1	Low	52 Å²	52	37.1 Å²	37.1	27%	0.272	19%	0.188	S	C	.	.			trans	-80	113.3	-171.8	-176.3	69.1	0	0	0	110.3	S217 A223 A263	S217-L219 PolarHBondContact O-N 2.96Å; S217-L219 PolarHBondContact OG-N 2.9Å; L219-A223 HydrophobicContact CD1-CB 3.84Å; L219-A223 HydrophobicContact CD2-CB 3.91Å; L219-A223 HydrophobicContact CG-CB 3.85Å; L219-A263 HydrophobicContact CB-CB 4.4Å
220	E	58.1	Low	67	Low	60 Å²	60	36.9 Å²	36.9	28%	0.28	19%	0.186	S	C	.	.			trans	-72.4	163	-172.3	-150.6	-104.7	91.1	0	0	112.6	G218 R222 A223 D267	G218-E220 PolarHBondContact O-N 3.42Å; E220-R222 PolarHBondContact O-N 3.04Å; E220-R222 IonicContact OE2-CZ 2.71Å; E220-R222 VanDerWaalsContact OE2-CZ 3.29Å; E220-R222 IonicContact OE2-NE 2.65Å; E220-R222 PolarHBondContact OE2-NE 2.75Å; E220-R222 IonicContact OE2-NH2 3.64Å; E220-R222 PolarHBondContact OE2-NH2 3.46Å; E220-A223 PolarHBondContact O-N 3.41Å; E220-A223 VanDerWaalsContact O-N 3.12Å; E220-D267 HydrophobicContact CB-CB 4.18Å; E220-D267 PolarHBondContact N-OD2 3.31Å
221	R	56.2	Low	66.8	Low	48 Å²	48	37 Å²	37	18%	0.181	19%	0.187	C	C	.	.	H	α-helix	trans	-56.5	-21.8	-168.3	-156.5	-180	-170.4	95.3	-10.6	114	A223 S224 Q225 T227 Q229 D443	R221-A223 VanDerWaalsContact C-N 3.26Å; R221-A223 PolarHBondContact O-N 3.04Å; R221-S224 PolarHBondContact O-N 3.05Å; R221-S224 PolarHBondContact O-OG 3.42Å; R221-Q225 PolarHBondContact O-N 3.11Å; R221-T227 PolarHBondContact NH2-O 2.9Å; R221-Q229 PolarHBondContact NH1-O 3.44Å; R221-Q229 PolarHBondContact NH2-O 3.49Å; R221-D443 PolarHBondContact NE-O 2.96Å; R221-D443 PolarHBondContact NH1-O 2.89Å; R221-D443 PolarHBondContact NH2-O 3.48Å; R221-D443 VanDerWaalsContact NH2-O 3.16Å
222	R	56.8	Low	66.8	Low	169 Å²	169	37.1 Å²	37.1	64%	0.638	19%	0.187	S	C	*	.	H	α-helix	trans	-56.8	-35.3	176.7	-55	179.5	-158.8	-164.8	3.9	112.9	E220	E220-R222 PolarHBondContact O-N 3.04Å; E220-R222 IonicContact OE2-CZ 2.71Å; E220-R222 VanDerWaalsContact OE2-CZ 3.29Å; E220-R222 IonicContact OE2-NE 2.65Å; E220-R222 PolarHBondContact OE2-NE 2.75Å; E220-R222 IonicContact OE2-NH2 3.64Å; E220-R222 PolarHBondContact OE2-NH2 3.46Å
223	A	48.6	Very low	66.8	Low	57 Å²	57	36.3 Å²	36.3	47%	0.471	19%	0.185	S	C	.	.	H	α-helix	trans	-87.5	-26.6	-177.2	0	0	0	0	0	113.9	L219 E220 R221	L219-A223 HydrophobicContact CD1-CB 3.84Å; L219-A223 HydrophobicContact CD2-CB 3.91Å; L219-A223 HydrophobicContact CG-CB 3.85Å; E220-A223 PolarHBondContact O-N 3.41Å; E220-A223 VanDerWaalsContact O-N 3.12Å; R221-A223 VanDerWaalsContact C-N 3.26Å; R221-A223 PolarHBondContact O-N 3.04Å
224	S	52.1	Low	67.4	Low	16 Å²	16	36.4 Å²	36.4	11%	0.112	19%	0.186	C	C	.	.	H	α-helix	trans	-88	-21.1	-174.3	66.5	0	0	0	0	114.5	R221 S226	R221-S224 PolarHBondContact O-N 3.05Å; R221-S224 PolarHBondContact O-OG 3.42Å; S224-S226 PolarHBondContact O-N 3.39Å; S224-S226 PolarHBondContact OG-N 3.03Å; S224-S226 PolarHBondContact OG-OG 3.43Å
225	Q	53.1	Low	68.7	Low	162 Å²	162	36.5 Å²	36.5	76%	0.757	19%	0.186	S	C	*	.			trans	59	3.4	-170.9	-55.4	-176.5	-9.3	0	0	115	R221 T227	R221-Q225 PolarHBondContact O-N 3.11Å; Q225-T227 PolarHBondContact O-N 3.03Å
226	S	59.6	Low	69.8	Low	5 Å²	5	35.4 Å²	35.4	4%	0.035	18%	0.181	C	C	.	.			trans	-84	76.9	-174.8	59.9	0	0	0	0	111.8	L199 S224 L228	L199-S226 WeakPolarHBondContact O-CB 3.36Å; S224-S226 PolarHBondContact O-N 3.39Å; S224-S226 PolarHBondContact OG-N 3.03Å; S224-S226 PolarHBondContact OG-OG 3.43Å; S226-L228 PolarHBondContact O-N 2.92Å
227	T	68.3	Low	71	Confident	80 Å²	80	40 Å²	40	49%	0.491	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-0.3	-174.2	54.1	0	0	0	0	115.8	R221 Q225 F421	R221-T227 PolarHBondContact NH2-O 2.9Å; Q225-T227 PolarHBondContact O-N 3.03Å; T227-F421 VanDerWaalsContact O-CE1 3.29Å; T227-F421 WeakPolarHBondContact O-CE1 3.09Å
228	L	85.1	Confident	72.7	Confident	8 Å²	8	40 Å²	40	4%	0.042	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	25.1	-169.1	-53.7	179.2	0	0	0	114.9	P208 V209 S226 E418 F421	P208-L228 WeakPolarHBondContact CA-O 3.46Å; V209-L228 PolarHBondContact N-O 2.89Å; S226-L228 PolarHBondContact O-N 2.92Å; L228-E418 HydrophobicContact CD1-CG 4.29Å; L228-E418 HydrophobicContact CD2-CB 4.23Å; L228-E418 HydrophobicContact CD2-CG 4.13Å; L228-F421 HydrophobicContact CB-CD2 4.23Å; L228-F421 HydrophobicContact CB-CG 4.36Å; L228-F421 HydrophobicContact CD2-CB 3.81Å; L228-F421 HydrophobicContact CD2-CD1 3.84Å; L228-F421 HydrophobicContact CD2-CD2 4.48Å; L228-F421 HydrophobicContact CD2-CG 3.78Å; L228-F421 WeakPolarHBondContact O-CD2 3.3Å; L228-F421 VanDerWaalsContact O-CE2 3.3Å; L228-F421 WeakPolarHBondContact O-CE2 3.47Å
229	Q	86.6	Confident	74.4	Confident	12 Å²	12	40.7 Å²	40.7	6%	0.056	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	133.6	175.9	175.9	-176.3	-23.2	0	0	111.7	L199 V209 S211 R221 F421	L199-Q229 HydrophobicContact CD2-CG 4.38Å; V209-Q229 CarbonylContact O-C 3.56Å; V209-Q229 WeakPolarHBondContact O-CA 3.36Å; S211-Q229 PolarHBondContact OG-NE2 3.33Å; R221-Q229 PolarHBondContact NH1-O 3.44Å; R221-Q229 PolarHBondContact NH2-O 3.49Å; Q229-F421 WeakPolarHBondContact O-CZ 3.44Å
230	L	89	Confident	76.1	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.4	160.8	-64.8	-176.1	0	0	0	109.6	V209 I210 S211 I380 F421 L424 R425 F440 G444	V209-L230 PolarHBondContact O-N 2.67Å; I210-L230 WeakPolarHBondContact CA-O 3.35Å; I210-L230 HydrophobicContact CG1-CB 4.48Å; S211-L230 PolarHBondContact N-O 3.25Å; S211-L230 PolarHBondContact OG-O 2.85Å; L230-I380 HydrophobicContact CD1-CG2 4.27Å; L230-F421 HydrophobicContact CD2-CE2 3.72Å; L230-F421 HydrophobicContact CD2-CZ 3.72Å; L230-F421 HydrophobicContact CG-CE2 3.72Å; L230-F421 HydrophobicContact CG-CZ 4.25Å; L230-L424 HydrophobicContact CD1-CB 3.93Å; L230-R425 HydrophobicContact CD2-CB 3.94Å; L230-R425 HydrophobicContact CD2-CG 4.02Å; L230-F440 HydrophobicContact CB-CD1 4.4Å; L230-F440 HydrophobicContact CB-CE1 4.07Å; L230-F440 HydrophobicContact CB-CZ 4.41Å; L230-F440 HydrophobicContact CD1-CD2 4.2Å; L230-F440 HydrophobicContact CD1-CE1 4.39Å; L230-F440 HydrophobicContact CD1-CE2 3.96Å; L230-F440 HydrophobicContact CD1-CZ 4.06Å; L230-F440 HydrophobicContact CD2-CB 4.47Å; L230-F440 HydrophobicContact CD2-CD1 4.14Å; L230-F440 HydrophobicContact CD2-CD2 4.49Å; L230-F440 HydrophobicContact CD2-CG 4.1Å; L230-G444 WeakPolarHBondContact CA-O 3.41Å
231	Q	87.1	Confident	77.7	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.2	-179.6	179.8	155.2	-110.3	0	0	112.1	D215 A233 G444 D445	D215-Q231 VanDerWaalsContact CG-NE2 3.26Å; D215-Q231 PolarHBondContact OD1-OE1 3.49Å; D215-Q231 PolarHBondContact OD2-NE2 3.32Å; Q231-A233 HydrophobicContact CG-CB 4.31Å; Q231-G444 PolarHBondContact N-O 2.88Å; Q231-D445 PolarHBondContact NE2-OD1 3.08Å; Q231-D445 VanDerWaalsContact NE2-OD1 3.14Å
232	L	88.9	Confident	79.5	Confident	3 Å²	3	34 Å²	34	2%	0.016	18%	0.175	C	C	.	.			trans	-106.1	-20.4	179.3	-60.9	177	0	0	0	113	M182 I210 S211 W212 A377 I380 F440 L446	M182-L232 HydrophobicContact CE-CD1 4.25Å; I210-L232 HydrophobicContact CG2-CD1 3.8Å; I210-L232 HydrophobicContact CG2-CG 4.11Å; S211-L232 PolarHBondContact O-N 3.05Å; W212-L232 HydrophobicContact CE3-CB 3.65Å; W212-L232 HydrophobicContact CZ3-CB 4.13Å; W212-L232 WeakPolarHBondContact CZ3-O 3.3Å; L232-A377 HydrophobicContact CD1-CB 4.08Å; L232-I380 HydrophobicContact CD1-CD1 4.34Å; L232-I380 HydrophobicContact CD2-CD1 3.57Å; L232-F440 HydrophobicContact CD2-CE1 3.92Å; L232-F440 HydrophobicContact CD2-CZ 3.82Å; L232-L446 HydrophobicContact CD2-CD2 4.13Å; L232-L446 WeakPolarHBondContact O-CD1 3.48Å
233	A	87.6	Confident	81.3	Confident	2 Å²	2	25.9 Å²	25.9	2%	0.017	15%	0.145	C	C	.	.	S	Bend	trans	-70.2	155.3	167.9	0	0	0	0	0	112	W212 Q231 S235 F363	W212-A233 WeakPolarHBondContact O-CB 3.48Å; W212-A233 PolarHBondContact O-N 3.31Å; Q231-A233 HydrophobicContact CG-CB 4.31Å; A233-S235 PolarHBondContact O-N 3.18Å; A233-F363 HydrophobicContact CB-CE2 4.06Å; A233-F363 HydrophobicContact CB-CZ 4.1Å
234	P	88.8	Confident	83.4	Confident	13 Å²	13	23.2 Å²	23.2	8%	0.084	12%	0.122	C	C	.	.			trans	-65.8	123.9	167.6	-19.4	33.6	0	0	0	111.7	H238 F363 A449 L451	P234-H238 HydrophobicContact CB-CB 4.11Å; P234-F363 HydrophobicContact CG-CB 4.14Å; P234-F363 HydrophobicContact CG-CD1 4.21Å; P234-F363 HydrophobicContact CG-CG 4.07Å; P234-A449 HydrophobicContact CB-CB 3.76Å; P234-A449 HydrophobicContact CG-CB 3.96Å; P234-L451 HydrophobicContact CB-CD2 3.67Å; P234-L451 HydrophobicContact CB-CG 4.38Å; P234-L451 HydrophobicContact CG-CD2 3.69Å
235	S	86.3	Confident	85.2	Confident	5 Å²	5	22.9 Å²	22.9	4%	0.035	12%	0.12	C	C	.	.			trans	-75.1	176	178.8	59	0	0	0	0	114	A233 E237 H238 Q239 D445	A233-S235 PolarHBondContact O-N 3.18Å; S235-E237 VanDerWaalsContact C-N 3.27Å; S235-E237 PolarHBondContact O-N 2.96Å; S235-H238 WeakPolarHBondContact O-CB 3.16Å; S235-H238 PolarHBondContact O-N 2.9Å; S235-H238 VanDerWaalsContact O-N 3.13Å; S235-H238 PolarHBondContact OG-ND1 2.88Å; S235-H238 VanDerWaalsContact OG-ND1 3.09Å; S235-Q239 PolarHBondContact O-N 3.46Å; S235-D445 WeakPolarHBondContact CB-OD2 3.07Å; S235-D445 PolarHBondContact OG-OD2 3.23Å
236	I	86.2	Confident	87.1	Confident	22 Å²	22	15.1 Å²	15.1	11%	0.113	8%	0.084	C	C	.	.	H	α-helix	trans	-57.6	-38.6	178.6	-77.9	166	0	0	0	112.2	G218 H238 Q239 S240 F268 A271	G218-I236 VanDerWaalsContact CA-CD1 3.48Å; G218-I236 WeakPolarHBondContact O-CD1 3.31Å; I236-H238 PolarHBondContact O-N 3.22Å; I236-Q239 CarbonylContact O-C 3.16Å; I236-Q239 PolarHBondContact O-N 3.16Å; I236-S240 PolarHBondContact O-N 2.96Å; I236-S240 PolarHBondContact O-OG 3.49Å; I236-F268 HydrophobicContact CG2-CB 4.22Å; I236-F268 HydrophobicContact CG2-CD2 3.93Å; I236-A271 HydrophobicContact CG2-CB 4.14Å
237	E	87.1	Confident	88.6	Confident	108 Å²	108	14.9 Å²	14.9	51%	0.505	8%	0.082	S	C	.	.	H	α-helix	trans	-57.3	-38.9	177.3	-59.6	-173	156.1	0	0	112.1	S235 S240 A241	S235-E237 VanDerWaalsContact C-N 3.27Å; S235-E237 PolarHBondContact O-N 2.96Å; E237-S240 PolarHBondContact O-OG 2.77Å; E237-S240 VanDerWaalsContact O-OG 3.13Å; E237-A241 WeakPolarHBondContact O-CB 3.37Å; E237-A241 PolarHBondContact O-N 2.99Å
238	H	90.3	Very high	89.5	Confident	14 Å²	14	13.9 Å²	13.9	7%	0.065	7%	0.072	C	C	.	.	H	α-helix	trans	-68.2	-39.8	176.3	-68.3	89.1	0	0	0	111.5	P234 S235 I236 A242 L446 A449 L451 W473	P234-H238 HydrophobicContact CB-CB 4.11Å; S235-H238 WeakPolarHBondContact O-CB 3.16Å; S235-H238 PolarHBondContact O-N 2.9Å; S235-H238 VanDerWaalsContact O-N 3.13Å; S235-H238 PolarHBondContact OG-ND1 2.88Å; S235-H238 VanDerWaalsContact OG-ND1 3.09Å; I236-H238 PolarHBondContact O-N 3.22Å; H238-A242 WeakPolarHBondContact O-CB 3.23Å; H238-A242 PolarHBondContact O-N 3.24Å; H238-L446 PolarHBondContact CE1-O 2.69Å; H238-L446 PolarHBondContact NE2-O 3.18Å; H238-A449 HydrophobicContact CB-CB 4.14Å; H238-A449 WeakPolarHBondContact CD2-CB 3.23Å; H238-L451 HydrophobicContact CB-CD1 4.07Å; H238-L451 VanDerWaalsContact O-CD1 3.27Å; H238-L451 WeakPolarHBondContact O-CD1 3.39Å; H238-W473 HydrophobicContact CB-CH2 4.45Å; H238-W473 HydrophobicContact CB-CZ3 4.29Å
239	Q	90.8	Very high	89.6	Confident	16 Å²	16	20.1 Å²	20.1	8%	0.075	10%	0.095	C	C	.	.	H	α-helix	trans	-66.8	-45.1	176	-66.6	-178.8	59.6	0	0	111.7	S235 I236 A242 M243 V361 L451	S235-Q239 PolarHBondContact O-N 3.46Å; I236-Q239 CarbonylContact O-C 3.16Å; I236-Q239 PolarHBondContact O-N 3.16Å; Q239-A242 PolarHBondContact O-N 2.83Å; Q239-M243 VanDerWaalsContact O-CG 3.27Å; Q239-M243 WeakPolarHBondContact O-CG 3.31Å; Q239-M243 PolarHBondContact O-N 2.83Å; Q239-V361 HydrophobicContact CG-CG1 4.34Å; Q239-L451 HydrophobicContact CG-CD1 4.39Å
240	S	91.9	Very high	89.6	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.014	10%	0.104	C	C	.	.	H	α-helix	trans	-66.6	-38.5	178.2	71.4	0	0	0	0	112	I236 E237 M243 L244	I236-S240 PolarHBondContact O-N 2.96Å; I236-S240 PolarHBondContact O-OG 3.49Å; E237-S240 PolarHBondContact O-OG 2.77Å; E237-S240 VanDerWaalsContact O-OG 3.13Å; S240-M243 PolarHBondContact O-N 3.49Å; S240-L244 WeakPolarHBondContact O-CB 3.43Å; S240-L244 WeakPolarHBondContact O-CG 3.31Å; S240-L244 PolarHBondContact O-N 2.81Å
241	A	91.5	Very high	89.4	Confident	17 Å²	17	29.8 Å²	29.8	14%	0.14	14%	0.135	C	C	.	.	H	α-helix	trans	-66.6	-35.3	173.5	0	0	0	0	0	112.9	E237 S245 W473	E237-A241 WeakPolarHBondContact O-CB 3.37Å; E237-A241 PolarHBondContact O-N 2.99Å; A241-S245 WeakPolarHBondContact O-CB 3.44Å; A241-S245 PolarHBondContact O-N 3.18Å; A241-S245 VanDerWaalsContact O-N 3.11Å; A241-W473 HydrophobicContact CB-CH2 4.15Å; A241-W473 HydrophobicContact CB-CZ2 3.73Å
242	A	93.3	Very high	89.4	Confident	0 Å²	0	30 Å²	30	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.4	-49.6	171.2	0	0	0	0	0	111.3	H238 Q239 L244 S245 I246 V361 L451 W473	H238-A242 WeakPolarHBondContact O-CB 3.23Å; H238-A242 PolarHBondContact O-N 3.24Å; Q239-A242 PolarHBondContact O-N 2.83Å; A242-L244 PolarHBondContact O-N 3.41Å; A242-S245 PolarHBondContact O-N 3.02Å; A242-S245 PolarHBondContact O-OG 3.38Å; A242-I246 PolarHBondContact O-N 3.36Å; A242-V361 HydrophobicContact CB-CG1 3.96Å; A242-V361 HydrophobicContact CB-CG2 4.18Å; A242-L451 HydrophobicContact CB-CD1 3.76Å; A242-W473 HydrophobicContact CB-CB 4.22Å; A242-W473 HydrophobicContact CB-CD2 3.74Å; A242-W473 HydrophobicContact CB-CE3 4.17Å; A242-W473 HydrophobicContact CB-CG 3.78Å
243	M	94.3	Very high	89.2	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-55.6	-52.3	176.2	-67.4	171.2	97.8	0	0	111.4	Q239 S240 S245 I246 L247 F268 L311 V339 V361	Q239-M243 VanDerWaalsContact O-CG 3.27Å; Q239-M243 WeakPolarHBondContact O-CG 3.31Å; Q239-M243 PolarHBondContact O-N 2.83Å; S240-M243 PolarHBondContact O-N 3.49Å; M243-S245 VanDerWaalsContact C-N 3.28Å; M243-S245 PolarHBondContact O-N 2.87Å; M243-I246 WeakPolarHBondContact O-CB 3.38Å; M243-I246 PolarHBondContact O-N 2.83Å; M243-L247 WeakPolarHBondContact O-CD1 3.26Å; M243-L247 PolarHBondContact O-N 3.28Å; M243-F268 HydrophobicContact CE-CZ 4.19Å; M243-F268 HydrophobicContact SD-CE2 3.85Å; M243-F268 HydrophobicContact SD-CZ 3.77Å; M243-L311 HydrophobicContact CE-CB 3.98Å; M243-L311 HydrophobicContact CE-CD2 4.26Å; M243-V339 HydrophobicContact CB-CG1 4.37Å; M243-V339 HydrophobicContact CE-CB 4.18Å; M243-V339 HydrophobicContact CE-CG1 3.9Å; M243-V339 WeakPolarHBondContact CE-O 3.45Å; M243-V339 HydrophobicContact CG-CG1 4.01Å; M243-V361 HydrophobicContact CG-CG2 3.7Å
244	L	92.9	Very high	89.2	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-33	179.8	-72.9	169.5	0	0	0	113	S240 A242 I246 L247 E248 F255 R275 V276 F285	S240-L244 WeakPolarHBondContact O-CB 3.43Å; S240-L244 WeakPolarHBondContact O-CG 3.31Å; S240-L244 PolarHBondContact O-N 2.81Å; A242-L244 PolarHBondContact O-N 3.41Å; L244-I246 VanDerWaalsContact C-N 3.28Å; L244-I246 PolarHBondContact O-N 3.13Å; L244-L247 PolarHBondContact O-N 2.91Å; L244-E248 PolarHBondContact O-N 3.23Å; L244-F255 HydrophobicContact CD2-CE1 3.88Å; L244-F255 HydrophobicContact CD2-CZ 3.68Å; L244-R275 HydrophobicContact CD1-CB 3.85Å; L244-R275 HydrophobicContact CD1-CG 3.58Å; L244-V276 HydrophobicContact CD1-CG2 4.24Å; L244-V276 HydrophobicContact CD2-CG2 4.08Å; L244-F285 HydrophobicContact CD2-CE1 4.48Å; L244-F285 HydrophobicContact CD2-CE2 4.3Å; L244-F285 HydrophobicContact CD2-CZ 4.26Å
245	S	91.4	Very high	89.4	Confident	9 Å²	9	35.6 Å²	35.6	6%	0.063	16%	0.161	C	C	.	.	H	α-helix	trans	-67.9	-24.9	175.5	75.9	0	0	0	0	113.8	A241 A242 M243 R249 W473 L481	A241-S245 WeakPolarHBondContact O-CB 3.44Å; A241-S245 PolarHBondContact O-N 3.18Å; A241-S245 VanDerWaalsContact O-N 3.11Å; A242-S245 PolarHBondContact O-N 3.02Å; A242-S245 PolarHBondContact O-OG 3.38Å; M243-S245 VanDerWaalsContact C-N 3.28Å; M243-S245 PolarHBondContact O-N 2.87Å; S245-R249 VanDerWaalsContact O-CB 3.27Å; S245-R249 WeakPolarHBondContact O-CB 3.38Å; S245-R249 PolarHBondContact O-N 2.98Å; S245-W473 PolarHBondContact OG-NE1 3.11Å; S245-L481 WeakPolarHBondContact O-CD2 3.3Å
246	I	91.5	Very high	89.8	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68.1	-44.4	170.8	-59.7	168.9	0	0	0	109.4	A242 M243 L244 R249 Y250 W252 V339 L359 I453 L481 I483	A242-I246 PolarHBondContact O-N 3.36Å; M243-I246 WeakPolarHBondContact O-CB 3.38Å; M243-I246 PolarHBondContact O-N 2.83Å; L244-I246 VanDerWaalsContact C-N 3.28Å; L244-I246 PolarHBondContact O-N 3.13Å; I246-R249 PolarHBondContact O-N 2.82Å; I246-Y250 HydrophobicContact CG2-CD2 4.16Å; I246-Y250 HydrophobicContact CG2-CE2 4.44Å; I246-Y250 WeakPolarHBondContact O-CD2 3.43Å; I246-Y250 PolarHBondContact O-N 2.93Å; I246-Y250 VanDerWaalsContact O-N 3.14Å; I246-W252 HydrophobicContact CG2-CZ3 4.37Å; I246-V339 HydrophobicContact CD1-CG1 4.22Å; I246-L359 HydrophobicContact CG2-CD1 3.76Å; I246-I453 HydrophobicContact CD1-CD1 4.36Å; I246-I453 HydrophobicContact CD1-CG2 4.21Å; I246-L481 HydrophobicContact CG1-CD2 4.02Å; I246-I483 HydrophobicContact CG1-CD1 4.36Å
247	L	91.3	Very high	90.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-42.7	178.5	-74.9	73.4	0	0	0	111.2	M243 L244 R249 Y250 K251 W252 F255 F285 V309 L311	M243-L247 WeakPolarHBondContact O-CD1 3.26Å; M243-L247 PolarHBondContact O-N 3.28Å; L244-L247 PolarHBondContact O-N 2.91Å; L247-R249 PolarHBondContact O-N 3.18Å; L247-Y250 CarbonylContact O-C 3.57Å; L247-Y250 PolarHBondContact O-N 3.39Å; L247-K251 WeakPolarHBondContact O-CA 3.4Å; L247-K251 PolarHBondContact O-N 3.44Å; L247-W252 HydrophobicContact CB-CB 4.32Å; L247-W252 HydrophobicContact CG-CB 4.39Å; L247-W252 HydrophobicContact CG-CE3 4.12Å; L247-W252 PolarHBondContact O-N 3.17Å; L247-F255 HydrophobicContact CD2-CB 3.7Å; L247-F255 HydrophobicContact CD2-CD1 3.27Å; L247-F255 HydrophobicContact CD2-CD2 4.39Å; L247-F255 HydrophobicContact CD2-CE1 3.9Å; L247-F255 HydrophobicContact CD2-CG 3.55Å; L247-F285 HydrophobicContact CB-CE1 3.77Å; L247-F285 HydrophobicContact CB-CZ 4.31Å; L247-F285 HydrophobicContact CD2-CE1 4.46Å; L247-V309 HydrophobicContact CD1-CG1 4.45Å; L247-V309 HydrophobicContact CD2-CG1 4.18Å; L247-V309 HydrophobicContact CG-CG1 4.23Å; L247-L311 HydrophobicContact CD1-CD2 3.8Å; L247-L311 HydrophobicContact CD2-CD2 4.42Å
248	E	88.3	Confident	90.6	Very high	58 Å²	58	29.3 Å²	29.3	27%	0.271	13%	0.13	S	C	.	.	H	α-helix	trans	-57.3	-46.2	173	-177.8	176.5	-139.6	0	0	111.5	L244 Y250 K251 M279 H282 F283 F285	L244-E248 PolarHBondContact O-N 3.23Å; E248-Y250 VanDerWaalsContact C-N 3.33Å; E248-Y250 PolarHBondContact O-N 3.25Å; E248-K251 PolarHBondContact O-N 2.98Å; E248-K251 VanDerWaalsContact O-N 3.16Å; E248-M279 VanDerWaalsContact CD-CE 3.46Å; E248-M279 HydrophobicContact CG-CE 4.42Å; E248-M279 WeakPolarHBondContact OE1-CE 3.46Å; E248-M279 WeakPolarHBondContact OE2-CE 3.21Å; E248-H282 IonicContact OE1-CD2 3.48Å; E248-F283 HydrophobicContact CG-CD2 4.37Å; E248-F283 HydrophobicContact CG-CG 4.42Å; E248-F285 HydrophobicContact CB-CZ 4.27Å
249	R	86.9	Confident	90.7	Very high	139 Å²	139	28.7 Å²	28.7	53%	0.525	13%	0.127	S	C	.	.	H	α-helix	trans	-60.7	-37.7	179.3	178.1	58.9	174.4	-136.6	-5.3	113.3	S245 I246 L247 L481	S245-R249 VanDerWaalsContact O-CB 3.27Å; S245-R249 WeakPolarHBondContact O-CB 3.38Å; S245-R249 PolarHBondContact O-N 2.98Å; I246-R249 PolarHBondContact O-N 2.82Å; L247-R249 PolarHBondContact O-N 3.18Å; R249-L481 HydrophobicContact CB-CD2 4.07Å; R249-L481 HydrophobicContact CG-CD2 4.43Å
250	Y	86.4	Confident	90.7	Very high	62 Å²	62	28 Å²	28	24%	0.243	13%	0.125	C	C	.	.	H	α-helix	trans	-95.7	2.7	177.9	-69.9	-73.7	0	0	0	114.1	I246 L247 E248 W252 I486 W488 P495	I246-Y250 HydrophobicContact CG2-CD2 4.16Å; I246-Y250 HydrophobicContact CG2-CE2 4.44Å; I246-Y250 WeakPolarHBondContact O-CD2 3.43Å; I246-Y250 PolarHBondContact O-N 2.93Å; I246-Y250 VanDerWaalsContact O-N 3.14Å; L247-Y250 CarbonylContact O-C 3.57Å; L247-Y250 PolarHBondContact O-N 3.39Å; E248-Y250 VanDerWaalsContact C-N 3.33Å; E248-Y250 PolarHBondContact O-N 3.25Å; Y250-W252 VanDerWaalsContact C-N 3.29Å; Y250-W252 HydrophobicContact CD2-CH2 4.24Å; Y250-W252 HydrophobicContact CD2-CZ3 4.41Å; Y250-W252 HydrophobicContact CG-CH2 4.23Å; Y250-W252 HydrophobicContact CG-CZ2 4.14Å; Y250-W252 PolarHBondContact O-N 3.45Å; Y250-I486 HydrophobicContact CE2-CD1 4.06Å; Y250-I486 WeakPolarHBondContact OH-CD1 3.28Å; Y250-W488 HydrophobicContact CD1-CZ2 4.32Å; Y250-W488 HydrophobicContact CD2-CH2 4.19Å; Y250-W488 HydrophobicContact CE1-CH2 4.34Å; Y250-W488 AromaticContact CE1-CZ2 3.82Å; Y250-W488 HydrophobicContact CE1-CZ2 3.82Å; Y250-W488 AromaticContact CE2-CH2 3.97Å; Y250-W488 HydrophobicContact CE2-CH2 3.97Å; Y250-W488 HydrophobicContact CE2-CZ2 4.13Å; Y250-W488 AromaticContact CZ-CZ2 3.74Å; Y250-P495 HydrophobicContact CD1-CB 3.83Å; Y250-P495 HydrophobicContact CD1-CG 4.01Å; Y250-P495 HydrophobicContact CE1-CB 4.1Å; Y250-P495 HydrophobicContact CE1-CG 4.15Å
251	K	84.2	Confident	90.4	Very high	154 Å²	154	34.2 Å²	34.2	67%	0.67	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	32.5	-178.4	-53.8	-177.5	179.9	-179.2	0	114.5	L247 E248 H253 F283	L247-K251 WeakPolarHBondContact O-CA 3.4Å; L247-K251 PolarHBondContact O-N 3.44Å; E248-K251 PolarHBondContact O-N 2.98Å; E248-K251 VanDerWaalsContact O-N 3.16Å; K251-H253 PolarHBondContact O-CD2 2.93Å; K251-H253 VanDerWaalsContact O-CD2 3.23Å; K251-H253 PolarHBondContact O-N 2.7Å; K251-H253 VanDerWaalsContact O-N 3.12Å; K251-F283 HydrophobicContact CB-CE2 4.35Å; K251-F283 HydrophobicContact CB-CZ 4.42Å; K251-F283 HydrophobicContact CG-CE2 4.48Å
252	W	88.3	Confident	90	Very high	5 Å²	5	34.1 Å²	34.1	2%	0.019	15%	0.15	C	C	.	.			trans	-79.2	96.9	175.1	-60.9	-33.1	0	0	0	110.2	I246 L247 Y250 Q254 V309 V337 W488 P495 P496	I246-W252 HydrophobicContact CG2-CZ3 4.37Å; L247-W252 HydrophobicContact CB-CB 4.32Å; L247-W252 HydrophobicContact CG-CB 4.39Å; L247-W252 HydrophobicContact CG-CE3 4.12Å; L247-W252 PolarHBondContact O-N 3.17Å; Y250-W252 VanDerWaalsContact C-N 3.29Å; Y250-W252 HydrophobicContact CD2-CH2 4.24Å; Y250-W252 HydrophobicContact CD2-CZ3 4.41Å; Y250-W252 HydrophobicContact CG-CH2 4.23Å; Y250-W252 HydrophobicContact CG-CZ2 4.14Å; Y250-W252 PolarHBondContact O-N 3.45Å; W252-Q254 VanDerWaalsContact C-N 3.34Å; W252-V309 HydrophobicContact CB-CG2 4.11Å; W252-V309 HydrophobicContact CD2-CG2 3.76Å; W252-V309 HydrophobicContact CE3-CG1 4.11Å; W252-V309 HydrophobicContact CE3-CG2 3.83Å; W252-V309 HydrophobicContact CG-CG2 3.91Å; W252-V309 HydrophobicContact CZ3-CG1 4.48Å; W252-V309 HydrophobicContact CZ3-CG2 4.48Å; W252-V337 HydrophobicContact CH2-CB 4.28Å; W252-V337 HydrophobicContact CH2-CG1 3.97Å; W252-V337 HydrophobicContact CH2-CG2 3.92Å; W252-V337 HydrophobicContact CZ2-CG2 4.12Å; W252-V337 HydrophobicContact CZ3-CG1 4.11Å; W252-W488 AromaticContact CH2-CH2 3.62Å; W252-W488 HydrophobicContact CH2-CH2 3.62Å; W252-W488 AromaticContact CH2-CZ3 3.59Å; W252-W488 HydrophobicContact CH2-CZ3 3.59Å; W252-W488 HydrophobicContact CZ2-CH2 4.14Å; W252-W488 HydrophobicContact CZ2-CZ3 4.2Å; W252-P495 HydrophobicContact CZ2-CB 4.47Å; W252-P496 HydrophobicContact CZ2-CG 4.42Å; W252-P496 PolarHBondContact NE1-O 2.87Å
253	H	84.4	Confident	89.2	Confident	91 Å²	91	36.2 Å²	36.2	42%	0.421	17%	0.168	S	C	.	.			trans	-72.2	-25.1	-179.6	-68.1	-75.6	0	0	0	113.8	K251 F283 K284 F285 T286	K251-H253 PolarHBondContact O-CD2 2.93Å; K251-H253 VanDerWaalsContact O-CD2 3.23Å; K251-H253 PolarHBondContact O-N 2.7Å; K251-H253 VanDerWaalsContact O-N 3.12Å; H253-F283 AromaticContact CE1-CE1 3.77Å; H253-F283 AromaticContact CE1-CE2 3.39Å; H253-F283 WeakPolarHBondContact CE1-CE2 3.38Å; H253-F283 AromaticContact CE1-CZ 3.18Å; H253-F283 WeakPolarHBondContact CE1-CZ 3.38Å; H253-F283 AromaticContact CG-CZ 3.86Å; H253-F283 AromaticContact ND1-CE1 3.42Å; H253-F283 WeakPolarHBondContact ND1-CE1 3.07Å; H253-F283 AromaticContact ND1-CE2 3.94Å; H253-F283 AromaticContact ND1-CZ 3.27Å; H253-F283 VanDerWaalsContact ND1-CZ 3.27Å; H253-F283 WeakPolarHBondContact ND1-CZ 3.42Å; H253-F283 AromaticContact NE2-CE2 3.97Å; H253-F283 AromaticContact NE2-CZ 3.74Å; H253-K284 PolarHBondContact ND1-O 3.06Å; H253-F285 CarbonylContact O-C 3.39Å; H253-F285 WeakPolarHBondContact O-CA 3.45Å; H253-T286 PolarHBondContact O-N 2.83Å; H253-T286 PolarHBondContact O-OG1 3.06Å
254	Q	87.5	Confident	88.5	Confident	46 Å²	46	36.4 Å²	36.4	22%	0.215	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.3	-173.6	-54.4	-170.8	-44.4	0	0	110.7	W252 L288	W252-Q254 VanDerWaalsContact C-N 3.34Å; Q254-L288 HydrophobicContact CB-CD1 4.07Å; Q254-L288 HydrophobicContact CB-CG 4.37Å
255	F	92.7	Very high	88.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	164.1	174.3	64.8	-89.9	0	0	0	111.3	L244 L247 V257 V272 V276 F285 T286 I287 L288 V309 L311	L244-F255 HydrophobicContact CD2-CE1 3.88Å; L244-F255 HydrophobicContact CD2-CZ 3.68Å; L247-F255 HydrophobicContact CD2-CB 3.7Å; L247-F255 HydrophobicContact CD2-CD1 3.27Å; L247-F255 HydrophobicContact CD2-CD2 4.39Å; L247-F255 HydrophobicContact CD2-CE1 3.9Å; L247-F255 HydrophobicContact CD2-CG 3.55Å; F255-V257 HydrophobicContact CD2-CG2 4.16Å; F255-V257 HydrophobicContact CE2-CG2 3.79Å; F255-V272 HydrophobicContact CE2-CG1 3.92Å; F255-V272 HydrophobicContact CZ-CG1 4.01Å; F255-V276 HydrophobicContact CE1-CG2 4.44Å; F255-V276 HydrophobicContact CZ-CG2 4.03Å; F255-F285 HydrophobicContact CD1-CD1 4.23Å; F255-F285 HydrophobicContact CE1-CB 4.08Å; F255-F285 AromaticContact CE1-CD1 3.77Å; F255-F285 HydrophobicContact CE1-CD1 3.77Å; F255-F285 HydrophobicContact CE1-CE1 4.47Å; F255-F285 HydrophobicContact CE1-CG 4.1Å; F255-T286 PolarHBondContact N-O 3.02Å; F255-I287 HydrophobicContact CE1-CG1 4.47Å; F255-I287 HydrophobicContact CE2-CG1 3.85Å; F255-I287 HydrophobicContact CZ-CG1 3.74Å; F255-I287 CarbonylContact O-C 3.59Å; F255-I287 WeakPolarHBondContact O-CA 3.41Å; F255-L288 PolarHBondContact O-N 3.31Å; F255-V309 WeakPolarHBondContact CA-O 3.36Å; F255-V309 HydrophobicContact CB-CB 4.05Å; F255-V309 HydrophobicContact CB-CG1 4.31Å; F255-V309 WeakPolarHBondContact CB-O 3.46Å; F255-L311 HydrophobicContact CD2-CD1 3.75Å; F255-L311 HydrophobicContact CD2-CG 3.82Å; F255-L311 HydrophobicContact CE2-CD1 3.53Å; F255-L311 HydrophobicContact CE2-CG 4.14Å; F255-L311 HydrophobicContact CZ-CD1 4.29Å
256	S	94.1	Very high	87.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	149.7	168.9	-71.4	0	0	0	0	111	N289 A307 V309 M310 L311	S256-N289 WeakPolarHBondContact CA-O 3.17Å; S256-N289 PolarHBondContact OG-N 2.79Å; S256-N289 PolarHBondContact OG-OD1 2.88Å; S256-A307 WeakPolarHBondContact OG-CB 3.36Å; S256-V309 PolarHBondContact N-O 3.17Å; S256-M310 WeakPolarHBondContact O-CA 3.15Å; S256-L311 PolarHBondContact O-N 2.76Å
257	V	95.4	Very high	87.5	Confident	2 Å²	2	45 Å²	45	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130	175.1	-175.1	0	0	0	0	108.8	F255 T259 F268 V269 V272 I287 N289 S290 I291 L311	F255-V257 HydrophobicContact CD2-CG2 4.16Å; F255-V257 HydrophobicContact CE2-CG2 3.79Å; V257-T259 HydrophobicContact CG1-CG2 4.16Å; V257-F268 HydrophobicContact CG1-CD1 4.23Å; V257-F268 HydrophobicContact CG1-CE1 3.85Å; V257-V269 HydrophobicContact CG1-CG2 3.91Å; V257-V272 HydrophobicContact CG2-CG1 4.11Å; V257-I287 HydrophobicContact CG2-CG2 4.28Å; V257-N289 PolarHBondContact N-O 2.93Å; V257-S290 CarbonylContact O-C 3.53Å; V257-S290 WeakPolarHBondContact O-CA 3.25Å; V257-I291 PolarHBondContact O-N 2.99Å; V257-L311 HydrophobicContact CG2-CD1 4.47Å
258	V	95.1	Very high	87.4	Confident	0 Å²	0	45 Å²	45	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123.9	-178.7	-172.7	0	0	0	0	107.7	I291 V293 L302 M310 L311 L312 Y313 W338	V258-I291 WeakPolarHBondContact CA-O 3.4Å; V258-V293 HydrophobicContact CG1-CG2 3.71Å; V258-L302 HydrophobicContact CG2-CD1 3.8Å; V258-L302 HydrophobicContact CG2-CD2 4.15Å; V258-M310 HydrophobicContact CG2-CB 4.32Å; V258-M310 HydrophobicContact CG2-CG 4.35Å; V258-L311 PolarHBondContact N-O 3.12Å; V258-L312 HydrophobicContact CB-CD1 4.18Å; V258-L312 HydrophobicContact CG1-CD1 3.96Å; V258-L312 VanDerWaalsContact O-CA 3.31Å; V258-L312 WeakPolarHBondContact O-CA 3.42Å; V258-Y313 PolarHBondContact O-N 2.66Å; V258-W338 HydrophobicContact CB-CZ3 4.48Å; V258-W338 HydrophobicContact CG2-CZ3 4.31Å
259	T	93.3	Very high	87.6	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	158.1	176.4	75.1	0	0	0	0	111.2	V257 H265 F268 V269 I291 V293 Y313	V257-T259 HydrophobicContact CG1-CG2 4.16Å; T259-H265 HydrophobicContact CG2-CB 4.23Å; T259-F268 HydrophobicContact CG2-CD1 4.27Å; T259-V269 HydrophobicContact CG2-CG2 3.79Å; T259-I291 PolarHBondContact N-O 3.09Å; T259-V293 PolarHBondContact O-N 3.43Å; T259-Y313 VanDerWaalsContact CA-O 3.22Å; T259-Y313 WeakPolarHBondContact CA-O 3.41Å
260	S	90.3	Very high	87.7	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.021	19%	0.194	C	C	.	.			trans	-89.9	-172.3	160.6	69	0	0	0	0	110.7	I262 H265 Y313 A314 E318	S260-I262 PolarHBondContact O-N 2.8Å; S260-I262 WeakPolarHBondContact OG-CB 3.33Å; S260-I262 WeakPolarHBondContact OG-CG2 3.35Å; S260-I262 PolarHBondContact OG-N 3.15Å; S260-H265 WeakPolarHBondContact O-CB 3.43Å; S260-Y313 PolarHBondContact N-O 3.27Å; S260-Y313 VanDerWaalsContact N-O 3.08Å; S260-A314 WeakPolarHBondContact OG-CA 3.35Å; S260-E318 VanDerWaalsContact CB-OE1 3.3Å; S260-E318 WeakPolarHBondContact CB-OE1 3.45Å; S260-E318 VanDerWaalsContact CB-OE2 3.29Å; S260-E318 WeakPolarHBondContact CB-OE2 3.3Å; S260-E318 PolarHBondContact OG-OE1 3.45Å; S260-E318 PolarHBondContact OG-OE2 3.47Å
261	Q	85.3	Confident	87.8	Confident	131 Å²	131	37.1 Å²	37.1	61%	0.612	19%	0.188	S	C	*	.	S	Bend	trans	-83	19.5	169.9	-65.8	-168.6	-32.1	0	0	113.1	V292 T294	Q261-V292 HydrophobicContact CG-CG1 4.11Å; Q261-T294 HydrophobicContact CG-CG2 4.44Å
262	I	83.4	Confident	88.2	Confident	15 Å²	15	29.8 Å²	29.8	8%	0.077	16%	0.156	C	C	.	.			trans	-51.1	144.7	167.7	-169.4	176.6	0	0	0	110.5	F188 S260 H265 Y313 T315	F188-I262 HydrophobicContact CB-CD1 4.36Å; F188-I262 HydrophobicContact CD1-CD1 4.44Å; S260-I262 PolarHBondContact O-N 2.8Å; S260-I262 WeakPolarHBondContact OG-CB 3.33Å; S260-I262 WeakPolarHBondContact OG-CG2 3.35Å; S260-I262 PolarHBondContact OG-N 3.15Å; I262-H265 HydrophobicContact CG2-CB 4.18Å; I262-H265 PolarHBondContact O-N 3.48Å; I262-H265 PolarHBondContact O-ND1 3.47Å; I262-Y313 HydrophobicContact CD1-CE1 4.23Å; I262-Y313 HydrophobicContact CG2-CD1 3.56Å; I262-Y313 HydrophobicContact CG2-CE1 3.55Å; I262-T315 HydrophobicContact CB-CG2 4.46Å; I262-T315 HydrophobicContact CD1-CG2 3.72Å; I262-T315 HydrophobicContact CG1-CG2 4Å
263	A	77.1	Confident	88.5	Confident	44 Å²	44	35 Å²	35	36%	0.364	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	149.5	171	0	0	0	0	0	110.5	S217 L219 H265	S217-A263 CarbonylContact O-C 3.59Å; S217-A263 WeakPolarHBondContact O-CB 3.34Å; L219-A263 HydrophobicContact CB-CB 4.4Å; A263-H265 VanDerWaalsContact C-N 3.3Å; A263-H265 PolarHBondContact O-N 3.01Å
264	G	79.3	Confident	88.7	Confident	5 Å²	5	34.6 Å²	34.6	5%	0.052	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	3.9	-174.9	0	0	0	0	0	116.6	G218 D266 D267 F268	G218-G264 VanDerWaalsContact C-CA 3.46Å; G218-G264 WeakPolarHBondContact O-CA 3.41Å; G264-D266 PolarHBondContact O-N 3.13Å; G264-D267 PolarHBondContact O-N 3.4Å; G264-F268 WeakPolarHBondContact O-CB 3.26Å; G264-F268 PolarHBondContact O-N 3.45Å
265	H	85.8	Confident	88.8	Confident	38 Å²	38	35.6 Å²	35.6	18%	0.176	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-42.4	179.4	66.4	-89.3	0	0	0	113.2	T259 S260 I262 A263 F268 V269	T259-H265 HydrophobicContact CG2-CB 4.23Å; S260-H265 WeakPolarHBondContact O-CB 3.43Å; I262-H265 HydrophobicContact CG2-CB 4.18Å; I262-H265 PolarHBondContact O-N 3.48Å; I262-H265 PolarHBondContact O-ND1 3.47Å; A263-H265 VanDerWaalsContact C-N 3.3Å; A263-H265 PolarHBondContact O-N 3.01Å; H265-F268 PolarHBondContact O-N 2.99Å; H265-V269 VanDerWaalsContact O-CG2 3.32Å; H265-V269 WeakPolarHBondContact O-CG2 3.1Å; H265-V269 PolarHBondContact O-N 2.93Å
266	D	86.3	Confident	88.7	Confident	111 Å²	111	36.3 Å²	36.3	59%	0.594	18%	0.18	S	C	*	.	H	α-helix	trans	-63	-42.3	173.2	-78.8	-39.2	0	0	0	111.7	G264 F268 V269 Q270	G264-D266 PolarHBondContact O-N 3.13Å; D266-F268 PolarHBondContact O-N 3.12Å; D266-V269 PolarHBondContact O-N 3.33Å; D266-Q270 WeakPolarHBondContact O-CB 3.48Å; D266-Q270 PolarHBondContact O-N 3.28Å
267	D	83	Confident	88.5	Confident	39 Å²	39	39.6 Å²	39.6	21%	0.209	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-40.9	178.3	-60.2	-39	0	0	0	111.1	E220 G264 Q270 A271	E220-D267 HydrophobicContact CB-CB 4.18Å; E220-D267 PolarHBondContact N-OD2 3.31Å; G264-D267 PolarHBondContact O-N 3.4Å; D267-Q270 PolarHBondContact O-N 3.21Å; D267-A271 WeakPolarHBondContact O-CB 3.47Å; D267-A271 PolarHBondContact O-N 2.91Å
268	F	88.8	Confident	88.1	Confident	1 Å²	1	45.9 Å²	45.9	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-62.6	-46.9	172.8	176.7	-94.5	0	0	0	112.3	I236 M243 V257 T259 G264 H265 D266 Q270 A271 V272 Y313	I236-F268 HydrophobicContact CG2-CB 4.22Å; I236-F268 HydrophobicContact CG2-CD2 3.93Å; M243-F268 HydrophobicContact CE-CZ 4.19Å; M243-F268 HydrophobicContact SD-CE2 3.85Å; M243-F268 HydrophobicContact SD-CZ 3.77Å; V257-F268 HydrophobicContact CG1-CD1 4.23Å; V257-F268 HydrophobicContact CG1-CE1 3.85Å; T259-F268 HydrophobicContact CG2-CD1 4.27Å; G264-F268 WeakPolarHBondContact O-CB 3.26Å; G264-F268 PolarHBondContact O-N 3.45Å; H265-F268 PolarHBondContact O-N 2.99Å; D266-F268 PolarHBondContact O-N 3.12Å; F268-Q270 VanDerWaalsContact C-N 3.28Å; F268-Q270 PolarHBondContact O-N 3.29Å; F268-A271 PolarHBondContact O-N 3.05Å; F268-V272 HydrophobicContact CD1-CG2 4.45Å; F268-V272 HydrophobicContact CE1-CG2 4.06Å; F268-V272 HydrophobicContact CE2-CG2 4.38Å; F268-V272 HydrophobicContact CZ-CG2 4.01Å; F268-V272 WeakPolarHBondContact O-CG2 3.3Å; F268-V272 PolarHBondContact O-N 2.72Å; F268-Y313 HydrophobicContact CB-CD1 4.07Å; F268-Y313 HydrophobicContact CB-CD2 4.28Å; F268-Y313 HydrophobicContact CB-CE1 4.31Å; F268-Y313 HydrophobicContact CB-CG 4.06Å; F268-Y313 HydrophobicContact CD1-CD2 4.35Å; F268-Y313 AromaticContact CD1-CG 3.93Å; F268-Y313 HydrophobicContact CD1-CG 3.93Å; F268-Y313 AromaticContact CD2-CD2 3.52Å; F268-Y313 HydrophobicContact CD2-CD2 3.52Å; F268-Y313 HydrophobicContact CD2-CE2 4.05Å; F268-Y313 AromaticContact CD2-CG 3.92Å; F268-Y313 HydrophobicContact CD2-CG 3.92Å; F268-Y313 HydrophobicContact CE1-CG 4.37Å; F268-Y313 AromaticContact CE2-CD2 3.9Å; F268-Y313 HydrophobicContact CE2-CD2 3.9Å; F268-Y313 HydrophobicContact CE2-CG 4.38Å; F268-Y313 HydrophobicContact CG-CD1 4.2Å; F268-Y313 AromaticContact CG-CD2 3.79Å; F268-Y313 HydrophobicContact CG-CD2 3.79Å; F268-Y313 HydrophobicContact CG-CE2 4.42Å; F268-Y313 AromaticContact CG-CG 3.69Å; F268-Y313 HydrophobicContact CG-CG 3.69Å; F268-Y313 HydrophobicContact CZ-CD2 4.45Å
269	V	91.8	Very high	87.5	Confident	10 Å²	10	46.6 Å²	46.6	6%	0.061	24%	0.24	C	C	.	.	H	α-helix	trans	-62.1	-38	176.9	170.4	0	0	0	0	110.9	V257 T259 H265 D266 R273	V257-V269 HydrophobicContact CG1-CG2 3.91Å; T259-V269 HydrophobicContact CG2-CG2 3.79Å; H265-V269 VanDerWaalsContact O-CG2 3.32Å; H265-V269 WeakPolarHBondContact O-CG2 3.1Å; H265-V269 PolarHBondContact O-N 2.93Å; D266-V269 PolarHBondContact O-N 3.33Å; V269-R273 VanDerWaalsContact O-CG 3.27Å; V269-R273 WeakPolarHBondContact O-CG 3.3Å; V269-R273 PolarHBondContact O-N 3.02Å; V269-R273 VanDerWaalsContact O-N 3.1Å
270	Q	89.6	Confident	86.8	Confident	70 Å²	70	50.6 Å²	50.6	33%	0.327	26%	0.259	S	S	.	.	H	α-helix	trans	-69.9	-45.7	176.9	-173.2	62	11.9	0	0	112.1	D266 D267 F268 V272 R273 E274	D266-Q270 WeakPolarHBondContact O-CB 3.48Å; D266-Q270 PolarHBondContact O-N 3.28Å; D267-Q270 PolarHBondContact O-N 3.21Å; F268-Q270 VanDerWaalsContact C-N 3.28Å; F268-Q270 PolarHBondContact O-N 3.29Å; Q270-V272 VanDerWaalsContact C-N 3.29Å; Q270-V272 PolarHBondContact O-N 2.94Å; Q270-R273 WeakPolarHBondContact O-CB 3.34Å; Q270-R273 PolarHBondContact O-N 3.1Å; Q270-E274 HydrophobicContact CG-CG 4.36Å; Q270-E274 WeakPolarHBondContact CG-OE1 3.44Å; Q270-E274 PolarHBondContact NE2-OE1 3.4Å; Q270-E274 PolarHBondContact O-N 3.14Å
271	A	88.9	Confident	86	Confident	13 Å²	13	59.9 Å²	59.9	11%	0.107	30%	0.302	C	S	.	.	H	α-helix	trans	-59.6	-38.7	176.1	0	0	0	0	0	112.1	I236 D267 F268 R275	I236-A271 HydrophobicContact CG2-CB 4.14Å; D267-A271 WeakPolarHBondContact O-CB 3.47Å; D267-A271 PolarHBondContact O-N 2.91Å; F268-A271 PolarHBondContact O-N 3.05Å; A271-R275 WeakPolarHBondContact O-CB 3.3Å; A271-R275 PolarHBondContact O-N 3.2Å
272	V	92.9	Very high	85.5	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.006	31%	0.308	C	S	.	.	H	α-helix	trans	-63.9	-42.7	172.4	171.3	0	0	0	0	111.4	F255 V257 F268 Q270 V276 I287 L311	F255-V272 HydrophobicContact CE2-CG1 3.92Å; F255-V272 HydrophobicContact CZ-CG1 4.01Å; V257-V272 HydrophobicContact CG2-CG1 4.11Å; F268-V272 HydrophobicContact CD1-CG2 4.45Å; F268-V272 HydrophobicContact CE1-CG2 4.06Å; F268-V272 HydrophobicContact CE2-CG2 4.38Å; F268-V272 HydrophobicContact CZ-CG2 4.01Å; F268-V272 WeakPolarHBondContact O-CG2 3.3Å; F268-V272 PolarHBondContact O-N 2.72Å; Q270-V272 VanDerWaalsContact C-N 3.29Å; Q270-V272 PolarHBondContact O-N 2.94Å; V272-V276 VanDerWaalsContact O-CB 3.3Å; V272-V276 WeakPolarHBondContact O-CB 3.47Å; V272-V276 VanDerWaalsContact O-CG2 3.24Å; V272-V276 WeakPolarHBondContact O-CG2 3.3Å; V272-V276 PolarHBondContact O-N 2.95Å; V272-I287 HydrophobicContact CG1-CD1 4.2Å; V272-L311 HydrophobicContact CG1-CD1 4.39Å; V272-L311 HydrophobicContact CG2-CD1 4.47Å
273	R	92.8	Very high	85.3	Confident	113 Å²	113	61.7 Å²	61.7	43%	0.426	31%	0.309	S	S	.	.	H	α-helix	trans	-66	-45.7	178.5	-74.1	167.5	179.8	162.6	3	112.6	V269 Q270 V276 A277 I287 S290	V269-R273 VanDerWaalsContact O-CG 3.27Å; V269-R273 WeakPolarHBondContact O-CG 3.3Å; V269-R273 PolarHBondContact O-N 3.02Å; V269-R273 VanDerWaalsContact O-N 3.1Å; Q270-R273 WeakPolarHBondContact O-CB 3.34Å; Q270-R273 PolarHBondContact O-N 3.1Å; R273-V276 PolarHBondContact O-N 2.77Å; R273-A277 PolarHBondContact O-N 3.31Å; R273-I287 HydrophobicContact CG-CD1 3.86Å; R273-S290 PolarHBondContact NH2-OG 3.22Å; R273-S290 VanDerWaalsContact NH2-OG 3.13Å
274	E	90.2	Very high	85.5	Confident	83 Å²	83	66.1 Å²	66.1	39%	0.388	32%	0.32	S	S	.	.	H	α-helix	trans	-64.4	-46.4	178.5	-70.9	178	-175.5	0	0	110.5	Q270 V276 A277 E278	Q270-E274 HydrophobicContact CG-CG 4.36Å; Q270-E274 WeakPolarHBondContact CG-OE1 3.44Å; Q270-E274 PolarHBondContact NE2-OE1 3.4Å; Q270-E274 PolarHBondContact O-N 3.14Å; E274-V276 VanDerWaalsContact C-N 3.34Å; E274-V276 PolarHBondContact O-N 2.74Å; E274-A277 WeakPolarHBondContact O-CB 3.17Å; E274-A277 PolarHBondContact O-N 3.48Å; E274-E278 PolarHBondContact O-N 2.91Å
275	R	88.5	Confident	85.9	Confident	68 Å²	68	66 Å²	66	26%	0.257	32%	0.318	S	S	.	.	H	α-helix	trans	-65.6	-33.1	177.3	-172.5	64.1	-160.2	141.6	12.3	113.3	L244 A271 E278 M279	L244-R275 HydrophobicContact CD1-CB 3.85Å; L244-R275 HydrophobicContact CD1-CG 3.58Å; A271-R275 WeakPolarHBondContact O-CB 3.3Å; A271-R275 PolarHBondContact O-N 3.2Å; R275-E278 WeakPolarHBondContact CD-OE2 2.9Å; R275-E278 IonicContact CZ-OE2 3.14Å; R275-E278 IonicContact NE-OE2 2.85Å; R275-E278 IonicContact NH1-OE2 3.21Å; R275-E278 PolarHBondContact NH1-OE2 2.79Å; R275-M279 HydrophobicContact CG-SD 4.46Å; R275-M279 PolarHBondContact NH2-SD 2.9Å; R275-M279 WeakPolarHBondContact O-CG 3.12Å; R275-M279 PolarHBondContact O-N 3.13Å; R275-M279 VanDerWaalsContact O-N 3.11Å
276	V	91.4	Very high	85.9	Confident	14 Å²	14	66.7 Å²	66.7	9%	0.085	33%	0.326	C	S	.	.	H	α-helix	trans	-64.9	-40.6	169.8	158.6	0	0	0	0	111.5	L244 F255 V272 R273 E274 M279 Q280 F285	L244-V276 HydrophobicContact CD1-CG2 4.24Å; L244-V276 HydrophobicContact CD2-CG2 4.08Å; F255-V276 HydrophobicContact CE1-CG2 4.44Å; F255-V276 HydrophobicContact CZ-CG2 4.03Å; V272-V276 VanDerWaalsContact O-CB 3.3Å; V272-V276 WeakPolarHBondContact O-CB 3.47Å; V272-V276 VanDerWaalsContact O-CG2 3.24Å; V272-V276 WeakPolarHBondContact O-CG2 3.3Å; V272-V276 PolarHBondContact O-N 2.95Å; R273-V276 PolarHBondContact O-N 2.77Å; E274-V276 VanDerWaalsContact C-N 3.34Å; E274-V276 PolarHBondContact O-N 2.74Å; V276-M279 PolarHBondContact O-N 3.02Å; V276-Q280 PolarHBondContact O-N 2.99Å; V276-Q280 VanDerWaalsContact O-N 3.16Å; V276-F285 HydrophobicContact CG1-CB 3.98Å; V276-F285 HydrophobicContact CG2-CB 3.96Å; V276-F285 HydrophobicContact CG2-CD2 4.13Å; V276-F285 HydrophobicContact CG2-CG 4.26Å
277	A	89.4	Confident	86	Confident	69 Å²	69	63.9 Å²	63.9	57%	0.57	31%	0.31	S	S	*	.	H	α-helix	trans	-64.3	-41.6	176.7	0	0	0	0	0	112	R273 E274 M279 Q280	R273-A277 PolarHBondContact O-N 3.31Å; E274-A277 WeakPolarHBondContact O-CB 3.17Å; E274-A277 PolarHBondContact O-N 3.48Å; A277-M279 PolarHBondContact O-N 3.32Å; A277-Q280 WeakPolarHBondContact O-CB 3.18Å; A277-Q280 PolarHBondContact O-N 3.31Å
278	E	86.8	Confident	86.2	Confident	135 Å²	135	64.6 Å²	64.6	63%	0.631	31%	0.314	S	S	*	.	H	α-helix	trans	-62.6	-37.8	173.7	-67.4	-170.4	131.7	0	0	113.4	E274 R275 Q280	E274-E278 PolarHBondContact O-N 2.91Å; R275-E278 WeakPolarHBondContact CD-OE2 2.9Å; R275-E278 IonicContact CZ-OE2 3.14Å; R275-E278 IonicContact NE-OE2 2.85Å; R275-E278 IonicContact NH1-OE2 3.21Å; R275-E278 PolarHBondContact NH1-OE2 2.79Å; E278-Q280 VanDerWaalsContact C-N 3.34Å
279	M	83.5	Confident	86.1	Confident	14 Å²	14	66.1 Å²	66.1	7%	0.069	32%	0.322	C	S	.	.	H	α-helix	trans	-81.9	-11.1	-177.1	-71.1	-173.8	68.7	0	0	114	E248 R275 V276 A277 E281 H282 F283 F285	E248-M279 VanDerWaalsContact CD-CE 3.46Å; E248-M279 HydrophobicContact CG-CE 4.42Å; E248-M279 WeakPolarHBondContact OE1-CE 3.46Å; E248-M279 WeakPolarHBondContact OE2-CE 3.21Å; R275-M279 HydrophobicContact CG-SD 4.46Å; R275-M279 PolarHBondContact NH2-SD 2.9Å; R275-M279 WeakPolarHBondContact O-CG 3.12Å; R275-M279 PolarHBondContact O-N 3.13Å; R275-M279 VanDerWaalsContact O-N 3.11Å; V276-M279 PolarHBondContact O-N 3.02Å; A277-M279 PolarHBondContact O-N 3.32Å; M279-E281 PolarHBondContact O-N 3.42Å; M279-E281 VanDerWaalsContact O-N 3.08Å; M279-H282 PolarHBondContact O-N 3.48Å; M279-F283 PolarHBondContact O-N 3.24Å; M279-F285 HydrophobicContact CB-CD2 4.44Å; M279-F285 HydrophobicContact CB-CE2 4.34Å; M279-F285 HydrophobicContact CE-CE2 3.95Å; M279-F285 HydrophobicContact SD-CE2 4.12Å
280	Q	78.8	Confident	86	Confident	85 Å²	85	68 Å²	68	40%	0.397	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.6	-170.4	-161	74.8	-50	0	0	114.3	V276 A277 E278	V276-Q280 PolarHBondContact O-N 2.99Å; V276-Q280 VanDerWaalsContact O-N 3.16Å; A277-Q280 WeakPolarHBondContact O-CB 3.18Å; A277-Q280 PolarHBondContact O-N 3.31Å; E278-Q280 VanDerWaalsContact C-N 3.34Å
281	E	73.3	Confident	86.1	Confident	199 Å²	199	65.2 Å²	65.2	93%	0.93	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-27.2	173.7	-63.9	-164.5	157.3	0	0	113.7	M279	M279-E281 PolarHBondContact O-N 3.42Å; M279-E281 VanDerWaalsContact O-N 3.08Å
282	H	74.8	Confident	86.3	Confident	160 Å²	160	67 Å²	67	74%	0.741	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-47	-176.6	-168.6	60.5	0	0	0	112.9	E248 M279	E248-H282 IonicContact OE1-CD2 3.48Å; M279-H282 PolarHBondContact O-N 3.48Å
283	F	79.1	Confident	86.2	Confident	24 Å²	24	67.8 Å²	67.8	11%	0.105	34%	0.337	C	S	.	.	S	Bend	trans	-137.7	112.3	-178.4	-170.2	-84.4	0	0	0	109.6	E248 K251 H253 M279 F285	E248-F283 HydrophobicContact CG-CD2 4.37Å; E248-F283 HydrophobicContact CG-CG 4.42Å; K251-F283 HydrophobicContact CB-CE2 4.35Å; K251-F283 HydrophobicContact CB-CZ 4.42Å; K251-F283 HydrophobicContact CG-CE2 4.48Å; H253-F283 AromaticContact CE1-CE1 3.77Å; H253-F283 AromaticContact CE1-CE2 3.39Å; H253-F283 WeakPolarHBondContact CE1-CE2 3.38Å; H253-F283 AromaticContact CE1-CZ 3.18Å; H253-F283 WeakPolarHBondContact CE1-CZ 3.38Å; H253-F283 AromaticContact CG-CZ 3.86Å; H253-F283 AromaticContact ND1-CE1 3.42Å; H253-F283 WeakPolarHBondContact ND1-CE1 3.07Å; H253-F283 AromaticContact ND1-CE2 3.94Å; H253-F283 AromaticContact ND1-CZ 3.27Å; H253-F283 VanDerWaalsContact ND1-CZ 3.27Å; H253-F283 WeakPolarHBondContact ND1-CZ 3.42Å; H253-F283 AromaticContact NE2-CE2 3.97Å; H253-F283 AromaticContact NE2-CZ 3.74Å; M279-F283 PolarHBondContact O-N 3.24Å; F283-F285 AromaticContact CD1-CD1 3.83Å; F283-F285 HydrophobicContact CD1-CD1 3.83Å; F283-F285 AromaticContact CD1-CD2 3.94Å; F283-F285 HydrophobicContact CD1-CD2 3.94Å; F283-F285 AromaticContact CD1-CE1 3.55Å; F283-F285 HydrophobicContact CD1-CE1 3.55Å; F283-F285 AromaticContact CD1-CE2 3.69Å; F283-F285 HydrophobicContact CD1-CE2 3.69Å; F283-F285 HydrophobicContact CD1-CG 4.02Å; F283-F285 AromaticContact CD1-CZ 3.49Å; F283-F285 HydrophobicContact CD1-CZ 3.49Å; F283-F285 VanDerWaalsContact CD1-CZ 3.49Å; F283-F285 AromaticContact CE1-CD1 3.66Å; F283-F285 HydrophobicContact CE1-CD1 3.66Å; F283-F285 AromaticContact CE1-CE1 3.37Å; F283-F285 HydrophobicContact CE1-CE1 3.37Å; F283-F285 HydrophobicContact CE1-CE2 4.38Å; F283-F285 HydrophobicContact CE1-CG 4.29Å; F283-F285 AromaticContact CE1-CZ 3.78Å; F283-F285 HydrophobicContact CE1-CZ 3.78Å; F283-F285 HydrophobicContact CG-CZ 4.46Å; F283-F285 PolarHBondContact O-N 3.45Å
284	K	81.4	Confident	86	Confident	136 Å²	136	66 Å²	66	59%	0.591	34%	0.339	S	S	*	.			trans	-73.2	117.4	-179.7	-173.1	176.8	-178.3	179.6	0	110.7	H253	H253-K284 PolarHBondContact ND1-O 3.06Å
285	F	87.6	Confident	85.9	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.009	35%	0.349	C	S	.	.			trans	-103.3	152.1	169.6	-71.3	-68.7	0	0	0	111.1	L244 L247 E248 H253 F255 V276 M279 F283	L244-F285 HydrophobicContact CD2-CE1 4.48Å; L244-F285 HydrophobicContact CD2-CE2 4.3Å; L244-F285 HydrophobicContact CD2-CZ 4.26Å; L247-F285 HydrophobicContact CB-CE1 3.77Å; L247-F285 HydrophobicContact CB-CZ 4.31Å; L247-F285 HydrophobicContact CD2-CE1 4.46Å; E248-F285 HydrophobicContact CB-CZ 4.27Å; H253-F285 CarbonylContact O-C 3.39Å; H253-F285 WeakPolarHBondContact O-CA 3.45Å; F255-F285 HydrophobicContact CD1-CD1 4.23Å; F255-F285 HydrophobicContact CE1-CB 4.08Å; F255-F285 AromaticContact CE1-CD1 3.77Å; F255-F285 HydrophobicContact CE1-CD1 3.77Å; F255-F285 HydrophobicContact CE1-CE1 4.47Å; F255-F285 HydrophobicContact CE1-CG 4.1Å; V276-F285 HydrophobicContact CG1-CB 3.98Å; V276-F285 HydrophobicContact CG2-CB 3.96Å; V276-F285 HydrophobicContact CG2-CD2 4.13Å; V276-F285 HydrophobicContact CG2-CG 4.26Å; M279-F285 HydrophobicContact CB-CD2 4.44Å; M279-F285 HydrophobicContact CB-CE2 4.34Å; M279-F285 HydrophobicContact CE-CE2 3.95Å; M279-F285 HydrophobicContact SD-CE2 4.12Å; F283-F285 AromaticContact CD1-CD1 3.83Å; F283-F285 HydrophobicContact CD1-CD1 3.83Å; F283-F285 AromaticContact CD1-CD2 3.94Å; F283-F285 HydrophobicContact CD1-CD2 3.94Å; F283-F285 AromaticContact CD1-CE1 3.55Å; F283-F285 HydrophobicContact CD1-CE1 3.55Å; F283-F285 AromaticContact CD1-CE2 3.69Å; F283-F285 HydrophobicContact CD1-CE2 3.69Å; F283-F285 HydrophobicContact CD1-CG 4.02Å; F283-F285 AromaticContact CD1-CZ 3.49Å; F283-F285 HydrophobicContact CD1-CZ 3.49Å; F283-F285 VanDerWaalsContact CD1-CZ 3.49Å; F283-F285 AromaticContact CE1-CD1 3.66Å; F283-F285 HydrophobicContact CE1-CD1 3.66Å; F283-F285 AromaticContact CE1-CE1 3.37Å; F283-F285 HydrophobicContact CE1-CE1 3.37Å; F283-F285 HydrophobicContact CE1-CE2 4.38Å; F283-F285 HydrophobicContact CE1-CG 4.29Å; F283-F285 AromaticContact CE1-CZ 3.78Å; F283-F285 HydrophobicContact CE1-CZ 3.78Å; F283-F285 HydrophobicContact CG-CZ 4.46Å; F283-F285 PolarHBondContact O-N 3.45Å
286	T	85.2	Confident	85.8	Confident	54 Å²	54	70.7 Å²	70.7	33%	0.331	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	113.1	168.1	57.6	0	0	0	0	110.1	H253 F255 L288	H253-T286 PolarHBondContact O-N 2.83Å; H253-T286 PolarHBondContact O-OG1 3.06Å; F255-T286 PolarHBondContact N-O 3.02Å; T286-L288 PolarHBondContact O-N 3Å
287	I	89.4	Confident	85.4	Confident	51 Å²	51	72.2 Å²	72.2	26%	0.262	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	120	167.6	-56	170.1	0	0	0	106.8	F255 V257 V272 R273 N289	F255-I287 HydrophobicContact CE1-CG1 4.47Å; F255-I287 HydrophobicContact CE2-CG1 3.85Å; F255-I287 HydrophobicContact CZ-CG1 3.74Å; F255-I287 CarbonylContact O-C 3.59Å; F255-I287 WeakPolarHBondContact O-CA 3.41Å; V257-I287 HydrophobicContact CG2-CG2 4.28Å; V272-I287 HydrophobicContact CG1-CD1 4.2Å; R273-I287 HydrophobicContact CG-CD1 3.86Å; I287-N289 WeakPolarHBondContact CG2-O 3.5Å
288	L	85.4	Confident	85.3	Confident	55 Å²	55	70.4 Å²	70.4	29%	0.288	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-52.4	179.2	-68.1	174.3	0	0	0	110.8	Q254 F255 T286 E306 A307	Q254-L288 HydrophobicContact CB-CD1 4.07Å; Q254-L288 HydrophobicContact CB-CG 4.37Å; F255-L288 PolarHBondContact O-N 3.31Å; T286-L288 PolarHBondContact O-N 3Å; L288-E306 HydrophobicContact CD1-CB 4.08Å; L288-A307 HydrophobicContact CD1-CB 3.89Å
289	N	87	Confident	85.4	Confident	32 Å²	32	64 Å²	64	17%	0.171	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	152.1	178.4	-53	83.1	0	0	0	110.2	S256 V257 I287 I291 E301 S305	S256-N289 WeakPolarHBondContact CA-O 3.17Å; S256-N289 PolarHBondContact OG-N 2.79Å; S256-N289 PolarHBondContact OG-OD1 2.88Å; V257-N289 PolarHBondContact N-O 2.93Å; I287-N289 WeakPolarHBondContact CG2-O 3.5Å; N289-I291 HydrophobicContact CB-CD1 3.87Å; N289-I291 HydrophobicContact CB-CG1 4.13Å; N289-E301 PolarHBondContact ND2-OE1 3.21Å; N289-S305 VanDerWaalsContact OD1-CB 3.23Å; N289-S305 WeakPolarHBondContact OD1-CB 3.5Å
290	S	90.9	Very high	85.4	Confident	51 Å²	51	69 Å²	69	36%	0.357	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	102.9	169.4	61.1	0	0	0	0	109.1	V257 R273	V257-S290 CarbonylContact O-C 3.53Å; V257-S290 WeakPolarHBondContact O-CA 3.25Å; R273-S290 PolarHBondContact NH2-OG 3.22Å; R273-S290 VanDerWaalsContact NH2-OG 3.13Å
291	I	91.3	Very high	85.6	Confident	10 Å²	10	69.6 Å²	69.6	5%	0.051	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.7	-165	-64.7	159.7	0	0	0	110	V257 V258 T259 N289 V293 D298 E301 L302	V257-I291 PolarHBondContact O-N 2.99Å; V258-I291 WeakPolarHBondContact CA-O 3.4Å; T259-I291 PolarHBondContact N-O 3.09Å; N289-I291 HydrophobicContact CB-CD1 3.87Å; N289-I291 HydrophobicContact CB-CG1 4.13Å; I291-V293 HydrophobicContact CG2-CG2 4.18Å; I291-D298 HydrophobicContact CG2-CB 4.46Å; I291-E301 HydrophobicContact CD1-CB 3.79Å; I291-E301 HydrophobicContact CD1-CG 4.01Å; I291-L302 HydrophobicContact CD1-CD2 3.66Å; I291-L302 HydrophobicContact CD1-CG 3.67Å
292	V	92.8	Very high	86.2	Confident	51 Å²	51	60.1 Å²	60.1	31%	0.309	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	108	169.3	-173.1	0	0	0	0	107.7	Q261 T294	Q261-V292 HydrophobicContact CG-CG1 4.11Å; V292-T294 PolarHBondContact O-N 3.25Å
293	V	91.3	Very high	86.6	Confident	18 Å²	18	55.5 Å²	55.5	11%	0.109	29%	0.291	C	S	.	.			trans	-76	112.1	-176.3	-177.4	0	0	0	0	109.8	V258 T259 I291 L299 I322	V258-V293 HydrophobicContact CG1-CG2 3.71Å; T259-V293 PolarHBondContact O-N 3.43Å; I291-V293 HydrophobicContact CG2-CG2 4.18Å; V293-L299 HydrophobicContact CB-CD1 4.44Å; V293-L299 HydrophobicContact CG1-CD1 3.62Å; V293-L299 HydrophobicContact CG2-CD1 3.89Å; V293-I322 HydrophobicContact CB-CD1 4.31Å; V293-I322 HydrophobicContact CB-CG1 4.4Å; V293-I322 HydrophobicContact CG1-CG1 4.15Å
294	T	88.6	Confident	86.5	Confident	75 Å²	75	61.2 Å²	61.2	46%	0.46	32%	0.323	S	S	.	.	S	Bend	trans	-102.9	-31.3	172	72.1	0	0	0	0	111.6	Q261 V292 D298	Q261-T294 HydrophobicContact CG-CG2 4.44Å; V292-T294 PolarHBondContact O-N 3.25Å; T294-D298 WeakPolarHBondContact CA-OD2 3.45Å; T294-D298 WeakPolarHBondContact CB-OD2 3.28Å; T294-D298 PolarHBondContact N-OD2 3.36Å; T294-D298 PolarHBondContact OG1-OD2 2.97Å
295	R	88.4	Confident	86.4	Confident	159 Å²	159	55.5 Å²	55.5	60%	0.6	30%	0.3	S	S	*	.	S	Bend	trans	-144.5	158	-178.7	-62.6	164.9	-60.4	151.8	20.5	109.1	S297 D298	R295-S297 WeakPolarHBondContact CB-OG 3.48Å; R295-S297 PolarHBondContact NH2-OG 2.72Å; R295-S297 PolarHBondContact O-N 2.75Å; R295-S297 VanDerWaalsContact O-N 3.16Å; R295-D298 IonicContact CZ-OD1 2.67Å; R295-D298 PolarHBondContact N-OD2 3.3Å; R295-D298 IonicContact NE-OD1 2.74Å; R295-D298 IonicContact NH2-OD1 3.19Å; R295-D298 PolarHBondContact NH2-OD1 2.93Å; R295-D298 WeakPolarHBondContact O-CB 3.32Å; R295-D298 PolarHBondContact O-N 3.18Å
296	T	84.6	Confident	85.9	Confident	91 Å²	91	57.6 Å²	57.6	56%	0.558	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-61.3	-25.2	178.9	52.1	0	0	0	0	113.7	D298 L299 A325	T296-D298 PolarHBondContact O-N 2.98Å; T296-L299 PolarHBondContact O-N 2.77Å; T296-A325 HydrophobicContact CG2-CB 3.65Å
297	S	84.6	Confident	85.8	Confident	46 Å²	46	55 Å²	55	32%	0.322	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-56	-31.5	171.4	49.8	0	0	0	0	113.8	R295 L299 M300	R295-S297 WeakPolarHBondContact CB-OG 3.48Å; R295-S297 PolarHBondContact NH2-OG 2.72Å; R295-S297 PolarHBondContact O-N 2.75Å; R295-S297 VanDerWaalsContact O-N 3.16Å; S297-L299 PolarHBondContact O-N 3.26Å; S297-M300 WeakPolarHBondContact O-CB 3.36Å; S297-M300 WeakPolarHBondContact O-CG 3.43Å; S297-M300 PolarHBondContact O-N 3.43Å
298	D	87.6	Confident	85.7	Confident	30 Å²	30	54.8 Å²	54.8	16%	0.16	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-73	-16.4	-169.2	-47.8	-17.8	0	0	0	110.8	I291 T294 R295 T296 M300	I291-D298 HydrophobicContact CG2-CB 4.46Å; T294-D298 WeakPolarHBondContact CA-OD2 3.45Å; T294-D298 WeakPolarHBondContact CB-OD2 3.28Å; T294-D298 PolarHBondContact N-OD2 3.36Å; T294-D298 PolarHBondContact OG1-OD2 2.97Å; R295-D298 IonicContact CZ-OD1 2.67Å; R295-D298 PolarHBondContact N-OD2 3.3Å; R295-D298 IonicContact NE-OD1 2.74Å; R295-D298 IonicContact NH2-OD1 3.19Å; R295-D298 PolarHBondContact NH2-OD1 2.93Å; R295-D298 WeakPolarHBondContact O-CB 3.32Å; R295-D298 PolarHBondContact O-N 3.18Å; T296-D298 PolarHBondContact O-N 2.98Å; D298-M300 VanDerWaalsContact C-N 3.32Å; D298-M300 PolarHBondContact O-N 3.37Å
299	L	87.6	Confident	86	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-75.4	-12.3	171.5	-74.7	82.2	0	0	0	113.6	V293 T296 S297 E301 L302 V303 I322 A325 A326 M329 L331	V293-L299 HydrophobicContact CB-CD1 4.44Å; V293-L299 HydrophobicContact CG1-CD1 3.62Å; V293-L299 HydrophobicContact CG2-CD1 3.89Å; T296-L299 PolarHBondContact O-N 2.77Å; S297-L299 PolarHBondContact O-N 3.26Å; L299-E301 PolarHBondContact O-N 3.23Å; L299-L302 HydrophobicContact CG-CD1 4.31Å; L299-L302 WeakPolarHBondContact O-CA 3.15Å; L299-L302 WeakPolarHBondContact O-CB 3.09Å; L299-L302 PolarHBondContact O-N 2.93Å; L299-V303 PolarHBondContact O-N 3.06Å; L299-I322 HydrophobicContact CD2-CG2 4.36Å; L299-A325 HydrophobicContact CD2-CB 4.5Å; L299-A326 HydrophobicContact CD2-CB 4.14Å; L299-M329 HydrophobicContact CB-CE 3.62Å; L299-M329 HydrophobicContact CB-SD 4Å; L299-M329 HydrophobicContact CD2-CE 3.99Å; L299-M329 HydrophobicContact CG-CE 4.31Å; L299-L331 HydrophobicContact CD2-CD1 4.35Å
300	M	83.9	Confident	86.4	Confident	119 Å²	119	50.7 Å²	50.7	59%	0.586	27%	0.268	S	S	*	.	H	α-helix	trans	-61.1	-26.6	175.6	-70.8	-176.5	170.3	0	0	112.2	S297 D298 L302 V303 N304	S297-M300 WeakPolarHBondContact O-CB 3.36Å; S297-M300 WeakPolarHBondContact O-CG 3.43Å; S297-M300 PolarHBondContact O-N 3.43Å; D298-M300 VanDerWaalsContact C-N 3.32Å; D298-M300 PolarHBondContact O-N 3.37Å; M300-L302 VanDerWaalsContact C-N 3.31Å; M300-L302 PolarHBondContact O-N 2.99Å; M300-V303 PolarHBondContact O-N 3.39Å; M300-N304 PolarHBondContact O-N 2.99Å; M300-N304 VanDerWaalsContact O-N 3.09Å; M300-N304 PolarHBondContact O-ND2 3.13Å
301	E	83.4	Confident	86.6	Confident	97 Å²	97	48.2 Å²	48.2	45%	0.453	25%	0.251	S	S	.	.	H	α-helix	trans	-64.5	-34.8	172.3	-167.8	-176.4	145.9	0	0	111.8	N289 I291 L299 S305	N289-E301 PolarHBondContact ND2-OE1 3.21Å; I291-E301 HydrophobicContact CD1-CB 3.79Å; I291-E301 HydrophobicContact CD1-CG 4.01Å; L299-E301 PolarHBondContact O-N 3.23Å; E301-S305 WeakPolarHBondContact O-CB 3.36Å; E301-S305 PolarHBondContact O-N 3.31Å
302	L	85.3	Confident	86.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.6	-40.8	172.2	-64.9	172.5	0	0	0	112	V258 I291 L299 M300 N304 S305 L331 W338	V258-L302 HydrophobicContact CG2-CD1 3.8Å; V258-L302 HydrophobicContact CG2-CD2 4.15Å; I291-L302 HydrophobicContact CD1-CD2 3.66Å; I291-L302 HydrophobicContact CD1-CG 3.67Å; L299-L302 HydrophobicContact CG-CD1 4.31Å; L299-L302 WeakPolarHBondContact O-CA 3.15Å; L299-L302 WeakPolarHBondContact O-CB 3.09Å; L299-L302 PolarHBondContact O-N 2.93Å; M300-L302 VanDerWaalsContact C-N 3.31Å; M300-L302 PolarHBondContact O-N 2.99Å; L302-N304 VanDerWaalsContact C-N 3.28Å; L302-N304 PolarHBondContact O-N 3.29Å; L302-S305 WeakPolarHBondContact O-CB 3.34Å; L302-S305 PolarHBondContact O-N 3.13Å; L302-S305 PolarHBondContact O-OG 3.33Å; L302-L331 HydrophobicContact CB-CD1 3.93Å; L302-L331 HydrophobicContact CB-CD2 4.49Å; L302-L331 HydrophobicContact CD1-CD1 4.26Å; L302-W338 HydrophobicContact CD1-CH2 4.34Å
303	V	83.2	Confident	86.8	Confident	64 Å²	64	45.5 Å²	45.5	39%	0.388	24%	0.235	S	C	.	.	H	α-helix	trans	-61.6	-38.4	179.1	-179.2	0	0	0	0	111.3	L299 M300 S305 M329 L331	L299-V303 PolarHBondContact O-N 3.06Å; M300-V303 PolarHBondContact O-N 3.39Å; V303-S305 VanDerWaalsContact C-N 3.29Å; V303-M329 HydrophobicContact CG2-CB 3.93Å; V303-M329 HydrophobicContact CG2-CG 4.22Å; V303-M329 HydrophobicContact CG2-SD 4.04Å; V303-L331 HydrophobicContact CG2-CD1 3.99Å; V303-L331 HydrophobicContact CG2-CD2 4.1Å; V303-L331 HydrophobicContact CG2-CG 4.14Å
304	N	76.9	Confident	86.7	Confident	144 Å²	144	44.7 Å²	44.7	77%	0.77	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-6.9	175.8	-66.2	-24.5	0	0	0	113.6	M300 L302	M300-N304 PolarHBondContact O-N 2.99Å; M300-N304 VanDerWaalsContact O-N 3.09Å; M300-N304 PolarHBondContact O-ND2 3.13Å; L302-N304 VanDerWaalsContact C-N 3.28Å; L302-N304 PolarHBondContact O-N 3.29Å
305	S	79.4	Confident	86.7	Confident	16 Å²	16	41.6 Å²	41.6	11%	0.112	21%	0.211	C	C	.	.	S	Bend	trans	-88.5	156.7	-178.5	79.9	0	0	0	0	112.9	N289 E301 L302 V303 A307	N289-S305 VanDerWaalsContact OD1-CB 3.23Å; N289-S305 WeakPolarHBondContact OD1-CB 3.5Å; E301-S305 WeakPolarHBondContact O-CB 3.36Å; E301-S305 PolarHBondContact O-N 3.31Å; L302-S305 WeakPolarHBondContact O-CB 3.34Å; L302-S305 PolarHBondContact O-N 3.13Å; L302-S305 PolarHBondContact O-OG 3.33Å; V303-S305 VanDerWaalsContact C-N 3.29Å; S305-A307 PolarHBondContact O-N 2.93Å; S305-A307 VanDerWaalsContact OG-CB 3.23Å; S305-A307 WeakPolarHBondContact OG-CB 3.41Å; S305-A307 PolarHBondContact OG-N 3.09Å
306	E	78	Confident	86.6	Confident	46 Å²	46	35.4 Å²	35.4	22%	0.215	19%	0.188	C	C	.	.			trans	-70.4	-2	168.8	-72.8	172.1	-179.8	0	0	112.7	L288 R308 P500 K876	L288-E306 HydrophobicContact CD1-CB 4.08Å; E306-R308 PolarHBondContact O-N 3.24Å; E306-P500 HydrophobicContact CB-CG 3.96Å; E306-P500 HydrophobicContact CG-CG 4.13Å; E306-P500 WeakPolarHBondContact O-CD 3.46Å; E306-K876 IonicContact OE1-NZ 3.05Å; E306-K876 PolarHBondContact OE1-NZ 2.9Å; E306-K876 IonicContact OE2-NZ 2.72Å; E306-K876 PolarHBondContact OE2-NZ 3.49Å
307	A	82.1	Confident	86.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.			trans	-67.3	133.3	-170.9	0	0	0	0	0	113.1	S256 L288 S305 Y336	S256-A307 WeakPolarHBondContact OG-CB 3.36Å; L288-A307 HydrophobicContact CD1-CB 3.89Å; S305-A307 PolarHBondContact O-N 2.93Å; S305-A307 VanDerWaalsContact OG-CB 3.23Å; S305-A307 WeakPolarHBondContact OG-CB 3.41Å; S305-A307 PolarHBondContact OG-N 3.09Å; A307-Y336 WeakPolarHBondContact O-CE1 3.31Å
308	R	87.8	Confident	87	Confident	46 Å²	46	36 Å²	36	17%	0.174	19%	0.187	C	C	.	.			trans	-122.6	-5.2	173.5	-62.7	-60.3	176.3	-106.5	5.8	113.3	E306 N335 Y336 V337	E306-R308 PolarHBondContact O-N 3.24Å; R308-N335 WeakPolarHBondContact CB-O 3.3Å; R308-Y336 PolarHBondContact NH1-OH 3.41Å; R308-Y336 WeakPolarHBondContact O-CA 3.39Å; R308-V337 PolarHBondContact O-N 3.42Å
309	V	92.2	Very high	87.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	127.3	174.5	-174.3	0	0	0	0	108.5	L247 W252 F255 S256 V337 V339	L247-V309 HydrophobicContact CD1-CG1 4.45Å; L247-V309 HydrophobicContact CD2-CG1 4.18Å; L247-V309 HydrophobicContact CG-CG1 4.23Å; W252-V309 HydrophobicContact CB-CG2 4.11Å; W252-V309 HydrophobicContact CD2-CG2 3.76Å; W252-V309 HydrophobicContact CE3-CG1 4.11Å; W252-V309 HydrophobicContact CE3-CG2 3.83Å; W252-V309 HydrophobicContact CG-CG2 3.91Å; W252-V309 HydrophobicContact CZ3-CG1 4.48Å; W252-V309 HydrophobicContact CZ3-CG2 4.48Å; F255-V309 WeakPolarHBondContact CA-O 3.36Å; F255-V309 HydrophobicContact CB-CB 4.05Å; F255-V309 HydrophobicContact CB-CG1 4.31Å; F255-V309 WeakPolarHBondContact CB-O 3.46Å; S256-V309 PolarHBondContact N-O 3.17Å; V309-V337 WeakPolarHBondContact CA-O 3.17Å; V309-V339 HydrophobicContact CG1-CG2 4.46Å
310	M	94	Very high	87.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.4	179	-65	83.8	159.7	0	0	110.4	S256 V258 L331 Y336 V337 W338 V339	S256-M310 WeakPolarHBondContact O-CA 3.15Å; V258-M310 HydrophobicContact CG2-CB 4.32Å; V258-M310 HydrophobicContact CG2-CG 4.35Å; M310-L331 HydrophobicContact CE-CB 4.21Å; M310-L331 HydrophobicContact CE-CD2 4.09Å; M310-Y336 HydrophobicContact CE-CD1 3.61Å; M310-Y336 HydrophobicContact CE-CE1 4.02Å; M310-Y336 HydrophobicContact SD-CD1 4.19Å; M310-V337 PolarHBondContact N-O 3.45Å; M310-W338 HydrophobicContact CB-CD2 3.83Å; M310-W338 HydrophobicContact CB-CE3 3.61Å; M310-W338 HydrophobicContact CB-CG 4.46Å; M310-W338 HydrophobicContact CB-CH2 4.2Å; M310-W338 HydrophobicContact CB-CZ2 4.39Å; M310-W338 HydrophobicContact CB-CZ3 3.81Å; M310-W338 HydrophobicContact CE-CZ2 3.87Å; M310-W338 HydrophobicContact CG-CD2 4.21Å; M310-W338 HydrophobicContact CG-CE3 4.21Å; M310-W338 HydrophobicContact CG-CH2 3.95Å; M310-W338 HydrophobicContact CG-CZ2 3.93Å; M310-W338 HydrophobicContact CG-CZ3 4.09Å; M310-W338 HydrophobicContact SD-CD2 4.38Å; M310-W338 HydrophobicContact SD-CZ2 4.08Å; M310-V339 PolarHBondContact O-N 2.77Å
311	L	95.6	Very high	87.7	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	117.3	165.9	-50.2	-171.7	0	0	0	108.1	M243 L247 F255 S256 V257 V258 V272 V339	M243-L311 HydrophobicContact CE-CB 3.98Å; M243-L311 HydrophobicContact CE-CD2 4.26Å; L247-L311 HydrophobicContact CD1-CD2 3.8Å; L247-L311 HydrophobicContact CD2-CD2 4.42Å; F255-L311 HydrophobicContact CD2-CD1 3.75Å; F255-L311 HydrophobicContact CD2-CG 3.82Å; F255-L311 HydrophobicContact CE2-CD1 3.53Å; F255-L311 HydrophobicContact CE2-CG 4.14Å; F255-L311 HydrophobicContact CZ-CD1 4.29Å; S256-L311 PolarHBondContact O-N 2.76Å; V257-L311 HydrophobicContact CG2-CD1 4.47Å; V258-L311 PolarHBondContact N-O 3.12Å; V272-L311 HydrophobicContact CG1-CD1 4.39Å; V272-L311 HydrophobicContact CG2-CD1 4.47Å; L311-V339 HydrophobicContact CD2-CB 4Å; L311-V339 HydrophobicContact CD2-CG2 4.31Å
312	L	94.9	Very high	88.2	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.3	-177.2	175	63.7	0	0	0	111.7	V258 A314 A319 I322 L323 W338 V339 V340 S341	V258-L312 HydrophobicContact CB-CD1 4.18Å; V258-L312 HydrophobicContact CG1-CD1 3.96Å; V258-L312 VanDerWaalsContact O-CA 3.31Å; V258-L312 WeakPolarHBondContact O-CA 3.42Å; L312-A314 HydrophobicContact CD1-CB 4.06Å; L312-A314 HydrophobicContact CG-CB 4.47Å; L312-A319 HydrophobicContact CD2-CB 4.26Å; L312-I322 HydrophobicContact CD1-CD1 4.12Å; L312-I322 HydrophobicContact CD1-CG2 4.31Å; L312-L323 HydrophobicContact CD2-CD1 4.29Å; L312-L323 HydrophobicContact CD2-CD2 4.45Å; L312-L323 HydrophobicContact CD2-CG 4.32Å; L312-W338 HydrophobicContact CB-CE3 4.03Å; L312-W338 HydrophobicContact CB-CZ3 4.28Å; L312-W338 HydrophobicContact CD2-CE3 4.11Å; L312-W338 HydrophobicContact CD2-CZ3 4.27Å; L312-V339 PolarHBondContact N-O 3.49Å; L312-V340 HydrophobicContact CB-CG1 4.22Å; L312-V340 HydrophobicContact CD2-CG1 4.2Å; L312-S341 PolarHBondContact O-N 3.11Å
313	Y	92.4	Very high	88.5	Confident	4 Å²	4	29.1 Å²	29.1	2%	0.016	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	99.1	173.5	-170.8	-97.5	0	0	0	110.7	G218 V258 T259 S260 I262 F268 S341	G218-Y313 WeakPolarHBondContact CA-OH 3.35Å; V258-Y313 PolarHBondContact O-N 2.66Å; T259-Y313 VanDerWaalsContact CA-O 3.22Å; T259-Y313 WeakPolarHBondContact CA-O 3.41Å; S260-Y313 PolarHBondContact N-O 3.27Å; S260-Y313 VanDerWaalsContact N-O 3.08Å; I262-Y313 HydrophobicContact CD1-CE1 4.23Å; I262-Y313 HydrophobicContact CG2-CD1 3.56Å; I262-Y313 HydrophobicContact CG2-CE1 3.55Å; F268-Y313 HydrophobicContact CB-CD1 4.07Å; F268-Y313 HydrophobicContact CB-CD2 4.28Å; F268-Y313 HydrophobicContact CB-CE1 4.31Å; F268-Y313 HydrophobicContact CB-CG 4.06Å; F268-Y313 HydrophobicContact CD1-CD2 4.35Å; F268-Y313 AromaticContact CD1-CG 3.93Å; F268-Y313 HydrophobicContact CD1-CG 3.93Å; F268-Y313 AromaticContact CD2-CD2 3.52Å; F268-Y313 HydrophobicContact CD2-CD2 3.52Å; F268-Y313 HydrophobicContact CD2-CE2 4.05Å; F268-Y313 AromaticContact CD2-CG 3.92Å; F268-Y313 HydrophobicContact CD2-CG 3.92Å; F268-Y313 HydrophobicContact CE1-CG 4.37Å; F268-Y313 AromaticContact CE2-CD2 3.9Å; F268-Y313 HydrophobicContact CE2-CD2 3.9Å; F268-Y313 HydrophobicContact CE2-CG 4.38Å; F268-Y313 HydrophobicContact CG-CD1 4.2Å; F268-Y313 AromaticContact CG-CD2 3.79Å; F268-Y313 HydrophobicContact CG-CD2 3.79Å; F268-Y313 HydrophobicContact CG-CE2 4.42Å; F268-Y313 AromaticContact CG-CG 3.69Å; F268-Y313 HydrophobicContact CG-CG 3.69Å; F268-Y313 HydrophobicContact CZ-CD2 4.45Å; Y313-S341 WeakPolarHBondContact CD2-OG 3.35Å
314	A	90.3	Very high	88.9	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.			trans	-152.1	168.5	-177.4	0	0	0	0	0	111.1	S260 L312 E318 I322 S343 V344	S260-A314 WeakPolarHBondContact OG-CA 3.35Å; L312-A314 HydrophobicContact CD1-CB 4.06Å; L312-A314 HydrophobicContact CG-CB 4.47Å; A314-E318 HydrophobicContact CB-CB 4.18Å; A314-I322 HydrophobicContact CB-CD1 4.18Å; A314-S343 CarbonylContact O-C 3.6Å; A314-S343 VanDerWaalsContact O-CB 3.25Å; A314-S343 WeakPolarHBondContact O-CB 3.11Å; A314-S343 PolarHBondContact O-OG 3.02Å; A314-V344 WeakPolarHBondContact O-CG2 3Å
315	T	87.6	Confident	89.6	Confident	11 Å²	11	24 Å²	24	7%	0.067	12%	0.121	C	C	.	.			trans	-72.3	162.9	164.9	63.2	0	0	0	0	110.9	F188 I262 T317 E318 A319 S343	F188-T315 HydrophobicContact CB-CG2 4.06Å; F188-T315 WeakPolarHBondContact O-CG2 3.27Å; I262-T315 HydrophobicContact CB-CG2 4.46Å; I262-T315 HydrophobicContact CD1-CG2 3.72Å; I262-T315 HydrophobicContact CG1-CG2 4Å; T315-T317 VanDerWaalsContact C-N 3.31Å; T315-T317 PolarHBondContact O-N 3.4Å; T315-T317 PolarHBondContact OG1-OG1 3.13Å; T315-E318 WeakPolarHBondContact CB-OE2 3.27Å; T315-E318 WeakPolarHBondContact CG2-OE2 3.11Å; T315-E318 PolarHBondContact N-OE2 2.87Å; T315-E318 PolarHBondContact O-N 3.29Å; T315-E318 VanDerWaalsContact OG1-CG 3.23Å; T315-E318 WeakPolarHBondContact OG1-CG 3.14Å; T315-E318 PolarHBondContact OG1-N 3.18Å; T315-E318 PolarHBondContact OG1-OE2 2.7Å; T315-A319 VanDerWaalsContact O-CB 3.31Å; T315-A319 WeakPolarHBondContact O-CB 3.38Å; T315-A319 PolarHBondContact O-N 3.48Å; T315-S343 CarbonylContact C-O 3.57Å
316	Q	87.1	Confident	90.2	Very high	28 Å²	28	23.2 Å²	23.2	13%	0.131	12%	0.116	C	C	.	.	H	α-helix	trans	-59.3	-38.9	177.1	178.7	167.1	108.7	0	0	113.1	A319 I320 S343 V344 E346 F354	Q316-A319 PolarHBondContact O-N 2.66Å; Q316-I320 HydrophobicContact CG-CD1 4.15Å; Q316-I320 WeakPolarHBondContact O-CD1 3.36Å; Q316-I320 VanDerWaalsContact O-CG1 3.26Å; Q316-I320 WeakPolarHBondContact O-CG1 3.23Å; Q316-I320 PolarHBondContact O-N 3.01Å; Q316-I320 VanDerWaalsContact O-N 3.1Å; Q316-S343 PolarHBondContact N-O 3.32Å; Q316-V344 PolarHBondContact NE2-O 2.95Å; Q316-E346 HydrophobicContact CB-CG 3.9Å; Q316-F354 HydrophobicContact CG-CZ 4.3Å
317	T	87.1	Confident	90.8	Very high	98 Å²	98	26.4 Å²	26.4	60%	0.601	13%	0.131	S	C	*	.	H	α-helix	trans	-69.1	-38.7	-179.3	48.9	0	0	0	0	112.5	T315	T315-T317 VanDerWaalsContact C-N 3.31Å; T315-T317 PolarHBondContact O-N 3.4Å; T315-T317 PolarHBondContact OG1-OG1 3.13Å
318	E	89.6	Confident	91.2	Very high	53 Å²	53	33.6 Å²	33.6	25%	0.248	16%	0.164	C	C	.	.	H	α-helix	trans	-71.3	-40.4	173.3	-65.1	165.5	131.5	0	0	111.6	S260 A314 T315 I320 T321 I322	S260-E318 VanDerWaalsContact CB-OE1 3.3Å; S260-E318 WeakPolarHBondContact CB-OE1 3.45Å; S260-E318 VanDerWaalsContact CB-OE2 3.29Å; S260-E318 WeakPolarHBondContact CB-OE2 3.3Å; S260-E318 PolarHBondContact OG-OE1 3.45Å; S260-E318 PolarHBondContact OG-OE2 3.47Å; A314-E318 HydrophobicContact CB-CB 4.18Å; T315-E318 WeakPolarHBondContact CB-OE2 3.27Å; T315-E318 WeakPolarHBondContact CG2-OE2 3.11Å; T315-E318 PolarHBondContact N-OE2 2.87Å; T315-E318 PolarHBondContact O-N 3.29Å; T315-E318 VanDerWaalsContact OG1-CG 3.23Å; T315-E318 WeakPolarHBondContact OG1-CG 3.14Å; T315-E318 PolarHBondContact OG1-N 3.18Å; T315-E318 PolarHBondContact OG1-OE2 2.7Å; E318-I320 PolarHBondContact O-N 3.14Å; E318-T321 PolarHBondContact O-N 2.64Å; E318-T321 PolarHBondContact O-OG1 3.22Å; E318-I322 HydrophobicContact CB-CD1 4.47Å; E318-I322 WeakPolarHBondContact O-CB 3.32Å; E318-I322 VanDerWaalsContact O-CG1 3.28Å; E318-I322 WeakPolarHBondContact O-CG1 3.44Å; E318-I322 PolarHBondContact O-N 2.84Å
319	A	91.5	Very high	91.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58.9	-36.3	175.6	0	0	0	0	0	111.9	L312 T315 Q316 T321 L323 V344 F354	L312-A319 HydrophobicContact CD2-CB 4.26Å; T315-A319 VanDerWaalsContact O-CB 3.31Å; T315-A319 WeakPolarHBondContact O-CB 3.38Å; T315-A319 PolarHBondContact O-N 3.48Å; Q316-A319 PolarHBondContact O-N 2.66Å; A319-T321 VanDerWaalsContact C-N 3.35Å; A319-T321 PolarHBondContact O-N 3.28Å; A319-L323 HydrophobicContact CB-CD1 4.47Å; A319-L323 VanDerWaalsContact O-CB 3.24Å; A319-L323 WeakPolarHBondContact O-CB 3.2Å; A319-L323 WeakPolarHBondContact O-CD1 3.33Å; A319-L323 VanDerWaalsContact O-CG 3.29Å; A319-L323 WeakPolarHBondContact O-CG 3.07Å; A319-L323 PolarHBondContact O-N 3.13Å; A319-V344 HydrophobicContact CB-CB 4.44Å; A319-V344 HydrophobicContact CB-CG1 3.68Å; A319-V344 HydrophobicContact CB-CG2 3.96Å; A319-F354 HydrophobicContact CB-CE1 4.22Å; A319-F354 HydrophobicContact CB-CZ 4.28Å
320	I	91.4	Very high	91	Very high	20 Å²	20	41.7 Å²	41.7	10%	0.103	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-36.5	174.5	-70	162.3	0	0	0	112	Q316 E318 R324 H351 F354	Q316-I320 HydrophobicContact CG-CD1 4.15Å; Q316-I320 WeakPolarHBondContact O-CD1 3.36Å; Q316-I320 VanDerWaalsContact O-CG1 3.26Å; Q316-I320 WeakPolarHBondContact O-CG1 3.23Å; Q316-I320 PolarHBondContact O-N 3.01Å; Q316-I320 VanDerWaalsContact O-N 3.1Å; E318-I320 PolarHBondContact O-N 3.14Å; I320-R324 WeakPolarHBondContact O-CB 3.08Å; I320-R324 PolarHBondContact O-N 3.5Å; I320-H351 HydrophobicContact CD1-CB 3.89Å; I320-H351 HydrophobicContact CG1-CB 4.03Å; I320-F354 HydrophobicContact CB-CE1 4.39Å; I320-F354 HydrophobicContact CG1-CD1 4.44Å; I320-F354 HydrophobicContact CG1-CE1 3.52Å; I320-F354 HydrophobicContact CG1-CZ 3.89Å
321	T	91.4	Very high	90.7	Very high	75 Å²	75	41.7 Å²	41.7	46%	0.46	20%	0.202	S	C	.	.	H	α-helix	trans	-79.5	-39.1	177.6	60.7	0	0	0	0	112.1	E318 A319 A325	E318-T321 PolarHBondContact O-N 2.64Å; E318-T321 PolarHBondContact O-OG1 3.22Å; A319-T321 VanDerWaalsContact C-N 3.35Å; A319-T321 PolarHBondContact O-N 3.28Å; T321-A325 PolarHBondContact O-N 2.86Å
322	I	93.5	Very high	90.4	Very high	6 Å²	6	43 Å²	43	3%	0.031	21%	0.211	C	C	.	.	H	α-helix	trans	-62.1	-49.1	176	-66.7	167.7	0	0	0	110.7	V293 L299 L312 A314 E318 A325 A326	V293-I322 HydrophobicContact CB-CD1 4.31Å; V293-I322 HydrophobicContact CB-CG1 4.4Å; V293-I322 HydrophobicContact CG1-CG1 4.15Å; L299-I322 HydrophobicContact CD2-CG2 4.36Å; L312-I322 HydrophobicContact CD1-CD1 4.12Å; L312-I322 HydrophobicContact CD1-CG2 4.31Å; A314-I322 HydrophobicContact CB-CD1 4.18Å; E318-I322 HydrophobicContact CB-CD1 4.47Å; E318-I322 WeakPolarHBondContact O-CB 3.32Å; E318-I322 VanDerWaalsContact O-CG1 3.28Å; E318-I322 WeakPolarHBondContact O-CG1 3.44Å; E318-I322 PolarHBondContact O-N 2.84Å; I322-A325 PolarHBondContact O-N 3.25Å; I322-A326 WeakPolarHBondContact O-CB 3.48Å; I322-A326 PolarHBondContact O-N 3Å
323	L	92.8	Very high	89.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-72.5	-30.7	-175.7	-69.4	164.9	0	0	0	112.9	L312 A319 A326 E327 W338 F354 M358	L312-L323 HydrophobicContact CD2-CD1 4.29Å; L312-L323 HydrophobicContact CD2-CD2 4.45Å; L312-L323 HydrophobicContact CD2-CG 4.32Å; A319-L323 HydrophobicContact CB-CD1 4.47Å; A319-L323 VanDerWaalsContact O-CB 3.24Å; A319-L323 WeakPolarHBondContact O-CB 3.2Å; A319-L323 WeakPolarHBondContact O-CD1 3.33Å; A319-L323 VanDerWaalsContact O-CG 3.29Å; A319-L323 WeakPolarHBondContact O-CG 3.07Å; A319-L323 PolarHBondContact O-N 3.13Å; L323-A326 WeakPolarHBondContact O-CB 3.47Å; L323-A326 PolarHBondContact O-N 3.37Å; L323-E327 PolarHBondContact O-N 3.29Å; L323-W338 HydrophobicContact CD2-CD2 3.77Å; L323-W338 HydrophobicContact CD2-CE3 3.89Å; L323-W338 HydrophobicContact CD2-CG 4.16Å; L323-W338 HydrophobicContact CD2-CZ2 4.49Å; L323-W338 HydrophobicContact CD2-CZ3 4.3Å; L323-F354 HydrophobicContact CD1-CD1 3.5Å; L323-F354 VanDerWaalsContact CD1-CD1 3.5Å; L323-F354 HydrophobicContact CD1-CE1 3.76Å; L323-F354 HydrophobicContact CD1-CG 4.25Å; L323-M358 HydrophobicContact CD1-CE 3.62Å; L323-M358 HydrophobicContact CD1-SD 3.94Å
324	R	91.8	Very high	89.5	Confident	98 Å²	98	51 Å²	51	37%	0.37	26%	0.257	S	S	.	.	H	α-helix	trans	-63.9	-45.5	170.2	-171.1	-169.3	-52.9	153.6	6.7	111.8	I320 A326 E327 E328 Q353	I320-R324 WeakPolarHBondContact O-CB 3.08Å; I320-R324 PolarHBondContact O-N 3.5Å; R324-A326 VanDerWaalsContact C-N 3.32Å; R324-A326 PolarHBondContact O-N 2.94Å; R324-E327 WeakPolarHBondContact O-CB 3.27Å; R324-E327 PolarHBondContact O-N 3.43Å; R324-E328 PolarHBondContact O-N 2.94Å; R324-Q353 VanDerWaalsContact CZ-OE1 3.27Å
325	A	91.2	Very high	89.1	Confident	3 Å²	3	55.1 Å²	55.1	3%	0.025	28%	0.279	C	S	.	.	H	α-helix	trans	-65	-37.7	174.8	0	0	0	0	0	111.6	T296 L299 T321 I322 E327 E328 M329	T296-A325 HydrophobicContact CG2-CB 3.65Å; L299-A325 HydrophobicContact CD2-CB 4.5Å; T321-A325 PolarHBondContact O-N 2.86Å; I322-A325 PolarHBondContact O-N 3.25Å; A325-E327 VanDerWaalsContact C-N 3.32Å; A325-E327 PolarHBondContact O-N 3.48Å; A325-E328 PolarHBondContact O-N 3.1Å; A325-M329 HydrophobicContact CB-CE 3.8Å; A325-M329 WeakPolarHBondContact O-CB 3.35Å; A325-M329 WeakPolarHBondContact O-CE 3.26Å; A325-M329 PolarHBondContact O-N 3.31Å
326	A	92.2	Very high	89.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.6	-37.8	173.4	0	0	0	0	0	112.3	L299 I322 L323 R324 M329 K330 L331 T332 W338	L299-A326 HydrophobicContact CD2-CB 4.14Å; I322-A326 WeakPolarHBondContact O-CB 3.48Å; I322-A326 PolarHBondContact O-N 3Å; L323-A326 WeakPolarHBondContact O-CB 3.47Å; L323-A326 PolarHBondContact O-N 3.37Å; R324-A326 VanDerWaalsContact C-N 3.32Å; R324-A326 PolarHBondContact O-N 2.94Å; A326-M329 CarbonylContact O-C 3.28Å; A326-M329 PolarHBondContact O-N 3.28Å; A326-K330 PolarHBondContact O-N 2.85Å; A326-L331 HydrophobicContact CB-CB 4.01Å; A326-L331 PolarHBondContact O-N 3.1Å; A326-T332 HydrophobicContact CB-CG2 4Å; A326-W338 HydrophobicContact CB-CH2 4.3Å; A326-W338 HydrophobicContact CB-CZ2 3.81Å
327	E	90.5	Very high	89.4	Confident	113 Å²	113	55.1 Å²	55.1	53%	0.528	28%	0.276	S	S	.	.	H	α-helix	trans	-65.2	-46.8	174.3	-174.1	177.1	-158.7	0	0	111.8	L323 R324 A325 M329 K330 T332	L323-E327 PolarHBondContact O-N 3.29Å; R324-E327 WeakPolarHBondContact O-CB 3.27Å; R324-E327 PolarHBondContact O-N 3.43Å; A325-E327 VanDerWaalsContact C-N 3.32Å; A325-E327 PolarHBondContact O-N 3.48Å; E327-M329 PolarHBondContact O-N 3.23Å; E327-K330 PolarHBondContact O-N 3.04Å; E327-T332 WeakPolarHBondContact CA-OG1 3.24Å; E327-T332 HydrophobicContact CB-CG2 4.24Å
328	E	90	Very high	89.7	Confident	150 Å²	150	50.6 Å²	50.6	70%	0.701	25%	0.249	S	C	*	.	H	α-helix	trans	-57.5	-36.1	173.3	-69.2	169.5	-164.3	0	0	112.1	R324 A325	R324-E328 PolarHBondContact O-N 2.94Å; A325-E328 PolarHBondContact O-N 3.1Å
329	M	87.9	Confident	90	Very high	49 Å²	49	48.1 Å²	48.1	24%	0.241	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	8.1	175.3	-75.8	175	-81.4	0	0	114.7	L299 V303 A325 A326 E327 L331	L299-M329 HydrophobicContact CB-CE 3.62Å; L299-M329 HydrophobicContact CB-SD 4Å; L299-M329 HydrophobicContact CD2-CE 3.99Å; L299-M329 HydrophobicContact CG-CE 4.31Å; V303-M329 HydrophobicContact CG2-CB 3.93Å; V303-M329 HydrophobicContact CG2-CG 4.22Å; V303-M329 HydrophobicContact CG2-SD 4.04Å; A325-M329 HydrophobicContact CB-CE 3.8Å; A325-M329 WeakPolarHBondContact O-CB 3.35Å; A325-M329 WeakPolarHBondContact O-CE 3.26Å; A325-M329 PolarHBondContact O-N 3.31Å; A326-M329 CarbonylContact O-C 3.28Å; A326-M329 PolarHBondContact O-N 3.28Å; E327-M329 PolarHBondContact O-N 3.23Å; M329-L331 HydrophobicContact CB-CD1 4.3Å; M329-L331 HydrophobicContact CB-CG 4.23Å; M329-L331 PolarHBondContact O-N 3.02Å; M329-L331 VanDerWaalsContact O-N 3.17Å
330	K	89	Confident	90.1	Very high	167 Å²	167	48.1 Å²	48.1	73%	0.726	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	18.2	-180	-54.8	178.4	-178.6	174.2	0	115.7	A326 E327 T332 Y336	A326-K330 PolarHBondContact O-N 2.85Å; E327-K330 PolarHBondContact O-N 3.04Å; K330-T332 PolarHBondContact O-N 3Å; K330-Y336 WeakPolarHBondContact O-CE2 3.3Å
331	L	87.8	Confident	90.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	7.4	174.9	-63.1	174.6	0	0	0	113.2	L299 L302 V303 M310 A326 M329 Y336 W338	L299-L331 HydrophobicContact CD2-CD1 4.35Å; L302-L331 HydrophobicContact CB-CD1 3.93Å; L302-L331 HydrophobicContact CB-CD2 4.49Å; L302-L331 HydrophobicContact CD1-CD1 4.26Å; V303-L331 HydrophobicContact CG2-CD1 3.99Å; V303-L331 HydrophobicContact CG2-CD2 4.1Å; V303-L331 HydrophobicContact CG2-CG 4.14Å; M310-L331 HydrophobicContact CE-CB 4.21Å; M310-L331 HydrophobicContact CE-CD2 4.09Å; A326-L331 HydrophobicContact CB-CB 4.01Å; A326-L331 PolarHBondContact O-N 3.1Å; M329-L331 HydrophobicContact CB-CD1 4.3Å; M329-L331 HydrophobicContact CB-CG 4.23Å; M329-L331 PolarHBondContact O-N 3.02Å; M329-L331 VanDerWaalsContact O-N 3.17Å; L331-Y336 HydrophobicContact CD2-CE1 3.81Å; L331-Y336 WeakPolarHBondContact O-CB 3.17Å; L331-W338 HydrophobicContact CB-CZ2 4.26Å; L331-W338 PolarHBondContact O-NE1 3.34Å
332	T	88.9	Confident	90	Very high	29 Å²	29	43.7 Å²	43.7	18%	0.178	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	6.6	179.1	58.5	0	0	0	0	113.5	A326 E327 K330 P355	A326-T332 HydrophobicContact CB-CG2 4Å; E327-T332 WeakPolarHBondContact CA-OG1 3.24Å; E327-T332 HydrophobicContact CB-CG2 4.24Å; K330-T332 PolarHBondContact O-N 3Å; T332-P355 HydrophobicContact CG2-CB 4.34Å; T332-P355 HydrophobicContact CG2-CG 3.93Å
333	G	84.3	Confident	89.6	Confident	32 Å²	32	43.5 Å²	43.5	33%	0.33	21%	0.21	S	C	.	.	S	Bend	trans	-68.9	174.4	177.7	0	0	0	0	0	114.1	N335 Y336	G333-N335 PolarHBondContact O-N 3.39Å; G333-Y336 PolarHBondContact O-N 2.84Å
334	E	83.3	Confident	89.4	Confident	139 Å²	139	43.5 Å²	43.5	65%	0.65	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-27.2	-171.3	-52.3	-174.8	158.1	0	0	114.8
335	N	82.1	Confident	89.2	Confident	86 Å²	86	39.1 Å²	39.1	46%	0.46	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	3.3	179.9	-74.7	-28.5	0	0	0	114.9	R308 G333	R308-N335 WeakPolarHBondContact CB-O 3.3Å; G333-N335 PolarHBondContact O-N 3.39Å
336	Y	89.1	Confident	88.5	Confident	38 Å²	38	39.6 Å²	39.6	15%	0.149	20%	0.195	C	C	.	.			trans	-119	119.8	-175.7	-66.8	-79.9	0	0	0	112.9	A307 R308 M310 K330 L331 G333 P489	A307-Y336 WeakPolarHBondContact O-CE1 3.31Å; R308-Y336 PolarHBondContact NH1-OH 3.41Å; R308-Y336 WeakPolarHBondContact O-CA 3.39Å; M310-Y336 HydrophobicContact CE-CD1 3.61Å; M310-Y336 HydrophobicContact CE-CE1 4.02Å; M310-Y336 HydrophobicContact SD-CD1 4.19Å; K330-Y336 WeakPolarHBondContact O-CE2 3.3Å; L331-Y336 HydrophobicContact CD2-CE1 3.81Å; L331-Y336 WeakPolarHBondContact O-CB 3.17Å; G333-Y336 PolarHBondContact O-N 2.84Å; Y336-P489 WeakPolarHBondContact O-CG 3.36Å
337	V	91.8	Very high	87.6	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	125.5	177.7	-176.6	0	0	0	0	110.9	W252 R308 V309 M310 V339 W488 P496	W252-V337 HydrophobicContact CH2-CB 4.28Å; W252-V337 HydrophobicContact CH2-CG1 3.97Å; W252-V337 HydrophobicContact CH2-CG2 3.92Å; W252-V337 HydrophobicContact CZ2-CG2 4.12Å; W252-V337 HydrophobicContact CZ3-CG1 4.11Å; R308-V337 PolarHBondContact O-N 3.42Å; V309-V337 WeakPolarHBondContact CA-O 3.17Å; M310-V337 PolarHBondContact N-O 3.45Å; V337-V339 HydrophobicContact CG1-CG2 4.2Å; V337-W488 HydrophobicContact CG1-CZ3 4.28Å; V337-W488 HydrophobicContact CG2-CE3 4.37Å; V337-W488 HydrophobicContact CG2-CZ3 4.33Å; V337-P496 HydrophobicContact CG2-CG 3.33Å
338	W	93.9	Very high	86.8	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.015	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.8	172.5	-69	79.4	0	0	0	110.1	V258 L302 M310 L312 L323 A326 L331 M358 L359	V258-W338 HydrophobicContact CB-CZ3 4.48Å; V258-W338 HydrophobicContact CG2-CZ3 4.31Å; L302-W338 HydrophobicContact CD1-CH2 4.34Å; M310-W338 HydrophobicContact CB-CD2 3.83Å; M310-W338 HydrophobicContact CB-CE3 3.61Å; M310-W338 HydrophobicContact CB-CG 4.46Å; M310-W338 HydrophobicContact CB-CH2 4.2Å; M310-W338 HydrophobicContact CB-CZ2 4.39Å; M310-W338 HydrophobicContact CB-CZ3 3.81Å; M310-W338 HydrophobicContact CE-CZ2 3.87Å; M310-W338 HydrophobicContact CG-CD2 4.21Å; M310-W338 HydrophobicContact CG-CE3 4.21Å; M310-W338 HydrophobicContact CG-CH2 3.95Å; M310-W338 HydrophobicContact CG-CZ2 3.93Å; M310-W338 HydrophobicContact CG-CZ3 4.09Å; M310-W338 HydrophobicContact SD-CD2 4.38Å; M310-W338 HydrophobicContact SD-CZ2 4.08Å; L312-W338 HydrophobicContact CB-CE3 4.03Å; L312-W338 HydrophobicContact CB-CZ3 4.28Å; L312-W338 HydrophobicContact CD2-CE3 4.11Å; L312-W338 HydrophobicContact CD2-CZ3 4.27Å; L323-W338 HydrophobicContact CD2-CD2 3.77Å; L323-W338 HydrophobicContact CD2-CE3 3.89Å; L323-W338 HydrophobicContact CD2-CG 4.16Å; L323-W338 HydrophobicContact CD2-CZ2 4.49Å; L323-W338 HydrophobicContact CD2-CZ3 4.3Å; A326-W338 HydrophobicContact CB-CH2 4.3Å; A326-W338 HydrophobicContact CB-CZ2 3.81Å; L331-W338 HydrophobicContact CB-CZ2 4.26Å; L331-W338 PolarHBondContact O-NE1 3.34Å; W338-M358 HydrophobicContact CB-CE 4.45Å; W338-M358 HydrophobicContact CB-CG 4.17Å; W338-L359 PolarHBondContact O-N 3.36Å
339	V	95.5	Very high	86.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124	176.3	-169.6	0	0	0	0	108.7	M243 I246 V309 M310 L311 L312 V337 L359	M243-V339 HydrophobicContact CB-CG1 4.37Å; M243-V339 HydrophobicContact CE-CB 4.18Å; M243-V339 HydrophobicContact CE-CG1 3.9Å; M243-V339 WeakPolarHBondContact CE-O 3.45Å; M243-V339 HydrophobicContact CG-CG1 4.01Å; I246-V339 HydrophobicContact CD1-CG1 4.22Å; V309-V339 HydrophobicContact CG1-CG2 4.46Å; M310-V339 PolarHBondContact O-N 2.77Å; L311-V339 HydrophobicContact CD2-CB 4Å; L311-V339 HydrophobicContact CD2-CG2 4.31Å; L312-V339 PolarHBondContact N-O 3.49Å; V337-V339 HydrophobicContact CG1-CG2 4.2Å; V339-L359 CarbonylContact C-O 3.58Å; V339-L359 VanDerWaalsContact CA-O 3.29Å; V339-L359 WeakPolarHBondContact CA-O 3.41Å; V339-L359 HydrophobicContact CG1-CB 4.38Å; V339-L359 HydrophobicContact CG2-CB 4.45Å
340	V	94.4	Very high	85.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	151.9	-174.2	-54.6	0	0	0	0	113.9	L312 V344 I345 M358 L359 G360 V361 W467	L312-V340 HydrophobicContact CB-CG1 4.22Å; L312-V340 HydrophobicContact CD2-CG1 4.2Å; V340-V344 HydrophobicContact CB-CB 4Å; V340-V344 HydrophobicContact CB-CG1 4.41Å; V340-V344 HydrophobicContact CB-CG2 3.97Å; V340-V344 HydrophobicContact CG1-CB 4.41Å; V340-V344 HydrophobicContact CG1-CG1 4.33Å; V340-V344 HydrophobicContact CG1-CG2 4.26Å; V340-V344 HydrophobicContact CG2-CB 4.11Å; V340-V344 HydrophobicContact CG2-CG1 4.4Å; V340-I345 HydrophobicContact CG2-CD1 4.07Å; V340-I345 HydrophobicContact CG2-CG1 3.97Å; V340-M358 HydrophobicContact CG1-CE 3.34Å; V340-L359 PolarHBondContact N-O 3.04Å; V340-G360 WeakPolarHBondContact O-CA 3.27Å; V340-V361 PolarHBondContact O-N 2.94Å; V340-W467 HydrophobicContact CG2-CH2 3.77Å; V340-W467 HydrophobicContact CG2-CZ2 4.26Å
341	S	91.2	Very high	85.5	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.			trans	-77.6	170.1	169.3	50.6	0	0	0	0	113.3	L312 Y313 S343 V344 V361	L312-S341 PolarHBondContact O-N 3.11Å; Y313-S341 WeakPolarHBondContact CD2-OG 3.35Å; S341-S343 PolarHBondContact O-N 3.16Å; S341-S343 VanDerWaalsContact O-N 3.09Å; S341-S343 PolarHBondContact OG-OG 3.16Å; S341-V344 PolarHBondContact O-N 3.41Å; S341-V361 CarbonylContact C-O 3.59Å
342	Q	88.1	Confident	85.1	Confident	3 Å²	3	43.7 Å²	43.7	1%	0.014	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-49.5	-35.6	173.4	173	76.5	3.7	0	0	112.4	F188 V344 I345 V361 H362 F363	F188-Q342 HydrophobicContact CE2-CG 4.05Å; F188-Q342 HydrophobicContact CZ-CB 4.44Å; F188-Q342 HydrophobicContact CZ-CG 3.85Å; Q342-V344 PolarHBondContact O-N 3.5Å; Q342-V344 VanDerWaalsContact O-N 3.15Å; Q342-I345 PolarHBondContact O-N 2.99Å; Q342-V361 WeakPolarHBondContact CA-O 3.33Å; Q342-V361 PolarHBondContact N-O 2.97Å; Q342-V361 VanDerWaalsContact N-O 3.12Å; Q342-H362 PolarHBondContact OE1-ND1 3.33Å; Q342-F363 HydrophobicContact CB-CD1 4.49Å; Q342-F363 HydrophobicContact CB-CE1 4.26Å; Q342-F363 HydrophobicContact CG-CD1 4.18Å; Q342-F363 HydrophobicContact CG-CE1 3.79Å; Q342-F363 HydrophobicContact CG-CZ 4.41Å
343	S	85.7	Confident	84.8	Confident	1 Å²	1	45 Å²	45	1%	0.007	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-65.5	-15.2	-173.5	59.5	0	0	0	0	115.7	A314 T315 Q316 S341	A314-S343 CarbonylContact O-C 3.6Å; A314-S343 VanDerWaalsContact O-CB 3.25Å; A314-S343 WeakPolarHBondContact O-CB 3.11Å; A314-S343 PolarHBondContact O-OG 3.02Å; T315-S343 CarbonylContact C-O 3.57Å; Q316-S343 PolarHBondContact N-O 3.32Å; S341-S343 PolarHBondContact O-N 3.16Å; S341-S343 VanDerWaalsContact O-N 3.09Å; S341-S343 PolarHBondContact OG-OG 3.16Å
344	V	88.7	Confident	85	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-90.4	-23.4	172.1	-177.2	0	0	0	0	111.4	A314 Q316 A319 V340 S341 Q342 E346 F354	A314-V344 WeakPolarHBondContact O-CG2 3Å; Q316-V344 PolarHBondContact NE2-O 2.95Å; A319-V344 HydrophobicContact CB-CB 4.44Å; A319-V344 HydrophobicContact CB-CG1 3.68Å; A319-V344 HydrophobicContact CB-CG2 3.96Å; V340-V344 HydrophobicContact CB-CB 4Å; V340-V344 HydrophobicContact CB-CG1 4.41Å; V340-V344 HydrophobicContact CB-CG2 3.97Å; V340-V344 HydrophobicContact CG1-CB 4.41Å; V340-V344 HydrophobicContact CG1-CG1 4.33Å; V340-V344 HydrophobicContact CG1-CG2 4.26Å; V340-V344 HydrophobicContact CG2-CB 4.11Å; V340-V344 HydrophobicContact CG2-CG1 4.4Å; S341-V344 PolarHBondContact O-N 3.41Å; Q342-V344 PolarHBondContact O-N 3.5Å; Q342-V344 VanDerWaalsContact O-N 3.15Å; V344-E346 PolarHBondContact O-N 3.48Å; V344-F354 HydrophobicContact CG1-CE2 3.98Å; V344-F354 HydrophobicContact CG1-CZ 3.82Å
345	I	87.1	Confident	85.4	Confident	6 Å²	6	38.4 Å²	38.4	3%	0.031	20%	0.197	C	C	.	.			trans	-99.6	56.5	-170	-40.7	174.4	0	0	0	110.5	V340 Q342 K347 H362 W467	V340-I345 HydrophobicContact CG2-CD1 4.07Å; V340-I345 HydrophobicContact CG2-CG1 3.97Å; Q342-I345 PolarHBondContact O-N 2.99Å; I345-K347 PolarHBondContact O-N 2.89Å; I345-H362 HydrophobicContact CD1-CB 4.24Å; I345-W467 HydrophobicContact CG1-CZ2 4.28Å; I345-W467 HydrophobicContact CG2-CD2 4.26Å; I345-W467 HydrophobicContact CG2-CG 4.05Å
346	E	76.2	Confident	85.7	Confident	14 Å²	14	36.2 Å²	36.2	7%	0.065	19%	0.187	C	C	.	.	S	Bend	trans	-62.1	-28.2	176.6	-62.8	-169.5	-172	0	0	113	Q187 Q316 V344	Q187-E346 WeakPolarHBondContact CG-OE2 3.47Å; Q187-E346 PolarHBondContact NE2-OE2 3.39Å; Q316-E346 HydrophobicContact CB-CG 3.9Å; V344-E346 PolarHBondContact O-N 3.48Å
347	K	74.3	Confident	85.7	Confident	125 Å²	125	34.5 Å²	34.5	54%	0.543	18%	0.18	S	C	.	.			trans	-147.5	154.6	-172.4	-65.3	178.5	-174.2	157.8	0	111.1	I345	I345-K347 PolarHBondContact O-N 2.89Å
348	K	73.8	Confident	85.7	Confident	131 Å²	131	34.5 Å²	34.5	57%	0.57	18%	0.18	S	C	*	.	S	Bend	trans	-71.6	-33.8	177.1	-61.1	-167	177.7	-168.4	0	112.9	V466 W467	K348-V466 WeakPolarHBondContact O-CA 3.49Å; K348-W467 PolarHBondContact O-N 3.45Å
349	D	78.4	Confident	85.7	Confident	116 Å²	116	34.3 Å²	34.3	62%	0.62	18%	0.18	S	C	*	.	B	Isolated β-bridge	trans	-75.6	123.3	165.6	-62.3	-50.5	0	0	0	109.1
350	A	79.1	Confident	85.6	Confident	19 Å²	19	34.3 Å²	34.3	16%	0.157	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-99.1	161.6	-176.6	0	0	0	0	0	112.8	F354 L456 L465	A350-F354 HydrophobicContact CB-CD2 4.18Å; A350-L456 HydrophobicContact CB-CD1 3.4Å; A350-L456 VanDerWaalsContact CB-CD1 3.4Å; A350-L456 HydrophobicContact CB-CD2 4.37Å; A350-L465 HydrophobicContact CB-CB 4.18Å; A350-L465 PolarHBondContact N-O 2.83Å
351	H	81.9	Confident	85.6	Confident	74 Å²	74	34.4 Å²	34.4	34%	0.343	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-71.2	141.7	173.1	-159.1	-75.9	0	0	0	110.9	I320 Q353 F354	I320-H351 HydrophobicContact CD1-CB 3.89Å; I320-H351 HydrophobicContact CG1-CB 4.03Å; H351-Q353 PolarHBondContact ND1-N 3.27Å; H351-Q353 PolarHBondContact O-N 2.9Å; H351-F354 PolarHBondContact O-N 3.05Å
352	S	78.9	Confident	85.6	Confident	100 Å²	100	35.3 Å²	35.3	70%	0.699	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	12.1	-179.7	56.3	0	0	0	0	115.7
353	Q	82.1	Confident	85.6	Confident	57 Å²	57	35.7 Å²	35.7	27%	0.266	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	7.7	179.5	-68.4	-177.5	-8.4	0	0	112.3	R324 H351	R324-Q353 VanDerWaalsContact CZ-OE1 3.27Å; H351-Q353 PolarHBondContact ND1-N 3.27Å; H351-Q353 PolarHBondContact O-N 2.9Å
354	F	89.9	Confident	85.5	Confident	5 Å²	5	39.2 Å²	39.2	2%	0.022	21%	0.205	C	C	.	.	S	Bend	trans	-91.7	130.4	171.9	-69.3	-9.4	0	0	0	109.2	Q316 A319 I320 L323 V344 A350 H351 M358 L456 L465 W467	Q316-F354 HydrophobicContact CG-CZ 4.3Å; A319-F354 HydrophobicContact CB-CE1 4.22Å; A319-F354 HydrophobicContact CB-CZ 4.28Å; I320-F354 HydrophobicContact CB-CE1 4.39Å; I320-F354 HydrophobicContact CG1-CD1 4.44Å; I320-F354 HydrophobicContact CG1-CE1 3.52Å; I320-F354 HydrophobicContact CG1-CZ 3.89Å; L323-F354 HydrophobicContact CD1-CD1 3.5Å; L323-F354 VanDerWaalsContact CD1-CD1 3.5Å; L323-F354 HydrophobicContact CD1-CE1 3.76Å; L323-F354 HydrophobicContact CD1-CG 4.25Å; V344-F354 HydrophobicContact CG1-CE2 3.98Å; V344-F354 HydrophobicContact CG1-CZ 3.82Å; A350-F354 HydrophobicContact CB-CD2 4.18Å; H351-F354 PolarHBondContact O-N 3.05Å; F354-M358 HydrophobicContact CB-SD 3.74Å; F354-M358 HydrophobicContact CG-SD 4.2Å; F354-L456 HydrophobicContact CB-CD2 3.31Å; F354-L456 HydrophobicContact CD2-CD2 4.17Å; F354-L456 HydrophobicContact CG-CD2 4.26Å; F354-L465 WeakPolarHBondContact O-CD1 3.47Å; F354-W467 HydrophobicContact CD2-CZ2 4.39Å
355	P	90.3	Very high	85.2	Confident	26 Å²	26	39.3 Å²	39.3	17%	0.169	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-65.2	148.4	178.2	24.2	-34	0	0	0	112.9	T332 M358	T332-P355 HydrophobicContact CG2-CB 4.34Å; T332-P355 HydrophobicContact CG2-CG 3.93Å; P355-M358 VanDerWaalsContact CD-SD 3.56Å; P355-M358 HydrophobicContact CG-CG 3.91Å; P355-M358 HydrophobicContact CG-SD 3.87Å; P355-M358 VanDerWaalsContact O-CG 3.32Å; P355-M358 WeakPolarHBondContact O-CG 3.27Å
356	V	88.9	Confident	85.1	Confident	41 Å²	41	41 Å²	41	25%	0.248	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	141	174.8	176.3	0	0	0	0	110.2	L465 P489	V356-L465 HydrophobicContact CG2-CD2 3.81Å; V356-P489 WeakPolarHBondContact O-CA 3.46Å
357	G	89.6	Confident	85.4	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.01	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	15.4	179.1	0	0	0	0	0	114.8	L456 A487	G357-L456 PolarHBondContact N-O 2.61Å; G357-A487 VanDerWaalsContact CA-O 3.29Å; G357-A487 WeakPolarHBondContact CA-O 3.38Å
358	M	92.5	Very high	85.9	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.01	24%	0.237	C	C	.	.			trans	-63	138.3	162.4	-71.7	177.4	69.5	0	0	110.7	L323 W338 V340 F354 P355 N455 L456 W467	L323-M358 HydrophobicContact CD1-CE 3.62Å; L323-M358 HydrophobicContact CD1-SD 3.94Å; W338-M358 HydrophobicContact CB-CE 4.45Å; W338-M358 HydrophobicContact CB-CG 4.17Å; V340-M358 HydrophobicContact CG1-CE 3.34Å; F354-M358 HydrophobicContact CB-SD 3.74Å; F354-M358 HydrophobicContact CG-SD 4.2Å; P355-M358 VanDerWaalsContact CD-SD 3.56Å; P355-M358 HydrophobicContact CG-CG 3.91Å; P355-M358 HydrophobicContact CG-SD 3.87Å; P355-M358 VanDerWaalsContact O-CG 3.32Å; P355-M358 WeakPolarHBondContact O-CG 3.27Å; M358-N455 WeakPolarHBondContact O-CA 3.43Å; M358-N455 PolarHBondContact O-OD1 2.97Å; M358-L456 HydrophobicContact CB-CB 4.08Å; M358-L456 PolarHBondContact O-N 3.04Å; M358-L456 HydrophobicContact SD-CD2 4.24Å; M358-W467 HydrophobicContact CB-CH2 3.92Å; M358-W467 HydrophobicContact CB-CZ3 4.33Å; M358-W467 HydrophobicContact CE-CH2 4.41Å
359	L	93.8	Very high	86.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	141.2	171.8	-60.9	-179.9	0	0	0	109.6	I246 W338 V339 V340 M454 N455 I470 I486 W488	I246-L359 HydrophobicContact CG2-CD1 3.76Å; W338-L359 PolarHBondContact O-N 3.36Å; V339-L359 CarbonylContact C-O 3.58Å; V339-L359 VanDerWaalsContact CA-O 3.29Å; V339-L359 WeakPolarHBondContact CA-O 3.41Å; V339-L359 HydrophobicContact CG1-CB 4.38Å; V339-L359 HydrophobicContact CG2-CB 4.45Å; V340-L359 PolarHBondContact N-O 3.04Å; L359-M454 WeakPolarHBondContact CA-O 3.35Å; L359-N455 HydrophobicContact CD2-CB 4.4Å; L359-I470 HydrophobicContact CD2-CD1 3.81Å; L359-I486 HydrophobicContact CD2-CD1 4.47Å; L359-I486 HydrophobicContact CD2-CG2 4.02Å; L359-W488 HydrophobicContact CD1-CH2 4.09Å; L359-W488 HydrophobicContact CD1-CZ3 3.9Å; L359-W488 HydrophobicContact CG-CZ3 4.47Å
360	G	93.1	Very high	86.9	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	141	-178.7	0	0	0	0	0	112.5	V340 I453 M454	V340-G360 WeakPolarHBondContact O-CA 3.27Å; G360-I453 WeakPolarHBondContact O-CA 3.05Å; G360-M454 PolarHBondContact N-O 3.04Å; G360-M454 PolarHBondContact O-N 2.65Å
361	V	93.1	Very high	87.3	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	124.2	171.4	-179	0	0	0	0	108.9	Q239 A242 M243 V340 S341 Q342 L451 I453	Q239-V361 HydrophobicContact CG-CG1 4.34Å; A242-V361 HydrophobicContact CB-CG1 3.96Å; A242-V361 HydrophobicContact CB-CG2 4.18Å; M243-V361 HydrophobicContact CG-CG2 3.7Å; V340-V361 PolarHBondContact O-N 2.94Å; S341-V361 CarbonylContact C-O 3.59Å; Q342-V361 WeakPolarHBondContact CA-O 3.33Å; Q342-V361 PolarHBondContact N-O 2.97Å; Q342-V361 VanDerWaalsContact N-O 3.12Å; V361-L451 HydrophobicContact CG1-CB 4.15Å; V361-L451 HydrophobicContact CG1-CD1 3.82Å; V361-L451 HydrophobicContact CG1-CD2 4.43Å; V361-L451 HydrophobicContact CG1-CG 4.37Å; V361-I453 HydrophobicContact CG2-CD1 4.2Å
362	H	91.2	Very high	87.6	Confident	19 Å²	19	32 Å²	32	9%	0.088	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	152.7	-172.3	179.1	53.3	0	0	0	112	Q342 I345 K452 M454	Q342-H362 PolarHBondContact OE1-ND1 3.33Å; I345-H362 HydrophobicContact CD1-CB 4.24Å; H362-K452 HydrophobicContact CB-CB 4.49Å; H362-K452 PolarHBondContact N-O 3.18Å; H362-K452 PolarHBondContact O-N 3.24Å; H362-M454 HydrophobicContact CB-CG 3.53Å; H362-M454 HydrophobicContact CB-SD 4.22Å
363	F	88.8	Confident	88.1	Confident	12 Å²	12	28.9 Å²	28.9	5%	0.053	17%	0.172	C	C	.	.			trans	-133.9	153.8	164.4	65.2	-92.6	0	0	0	112.1	A233 P234 Q342 T365 L451	A233-F363 HydrophobicContact CB-CE2 4.06Å; A233-F363 HydrophobicContact CB-CZ 4.1Å; P234-F363 HydrophobicContact CG-CB 4.14Å; P234-F363 HydrophobicContact CG-CD1 4.21Å; P234-F363 HydrophobicContact CG-CG 4.07Å; Q342-F363 HydrophobicContact CB-CD1 4.49Å; Q342-F363 HydrophobicContact CB-CE1 4.26Å; Q342-F363 HydrophobicContact CG-CD1 4.18Å; Q342-F363 HydrophobicContact CG-CE1 3.79Å; Q342-F363 HydrophobicContact CG-CZ 4.41Å; F363-T365 HydrophobicContact CD2-CG2 4.06Å; F363-T365 HydrophobicContact CE2-CG2 3.68Å; F363-T365 HydrophobicContact CZ-CG2 4.32Å; F363-T365 PolarHBondContact O-N 3.08Å; F363-L451 HydrophobicContact CB-CD2 3.85Å; F363-L451 HydrophobicContact CD1-CD2 4.2Å; F363-L451 HydrophobicContact CG-CD2 4.46Å
364	D	84.5	Confident	88.5	Confident	74 Å²	74	26.2 Å²	26.2	40%	0.396	16%	0.16	S	C	.	.			trans	-72.5	96.1	-172.4	-167.3	-21.2	0	0	0	111.3	S366 A369	D364-S366 VanDerWaalsContact C-N 3.28Å; D364-S366 WeakPolarHBondContact OD1-CB 3.19Å; D364-S366 PolarHBondContact OD1-N 2.91Å; D364-S366 PolarHBondContact OD1-OG 2.6Å; D364-A369 HydrophobicContact CB-CB 4.3Å; D364-A369 WeakPolarHBondContact O-CB 3.19Å
365	T	82.6	Confident	88.4	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.012	17%	0.168	C	C	.	.			trans	-82.3	1.3	175.6	34.4	0	0	0	0	113.7	E186 F363	E186-T365 HydrophobicContact CG-CG2 4.36Å; E186-T365 WeakPolarHBondContact CG-OG1 3.25Å; E186-T365 WeakPolarHBondContact OE1-CB 3.47Å; E186-T365 PolarHBondContact OE1-OG1 2.91Å; F363-T365 HydrophobicContact CD2-CG2 4.06Å; F363-T365 HydrophobicContact CE2-CG2 3.68Å; F363-T365 HydrophobicContact CZ-CG2 4.32Å; F363-T365 PolarHBondContact O-N 3.08Å
366	S	84.4	Confident	88.4	Confident	41 Å²	41	26.6 Å²	26.6	29%	0.287	16%	0.163	S	C	.	.	S	Bend	trans	-63.8	158.9	-171.3	72.5	0	0	0	0	113.7	D364 A368 A369 L370	D364-S366 VanDerWaalsContact C-N 3.28Å; D364-S366 WeakPolarHBondContact OD1-CB 3.19Å; D364-S366 PolarHBondContact OD1-N 2.91Å; D364-S366 PolarHBondContact OD1-OG 2.6Å; S366-A368 PolarHBondContact O-N 2.95Å; S366-A368 PolarHBondContact OG-N 3.47Å; S366-A369 PolarHBondContact O-N 3.11Å; S366-A369 PolarHBondContact OG-N 3.24Å; S366-L370 PolarHBondContact O-N 2.78Å
367	S	83.2	Confident	88.5	Confident	68 Å²	68	24.6 Å²	24.6	48%	0.476	15%	0.151	S	C	.	.	H	α-helix	trans	-56.9	-21.3	173.6	-50.7	0	0	0	0	113.6	M371	S367-M371 WeakPolarHBondContact O-CB 3.42Å; S367-M371 WeakPolarHBondContact O-CG 3.49Å; S367-M371 PolarHBondContact O-N 2.77Å
368	A	84.8	Confident	88.6	Confident	67 Å²	67	24.6 Å²	24.6	55%	0.554	15%	0.15	S	C	*	.	H	α-helix	trans	-75.9	-43.8	174.6	0	0	0	0	0	111.7	S366 M371 N372	S366-A368 PolarHBondContact O-N 2.95Å; S366-A368 PolarHBondContact OG-N 3.47Å; A368-M371 PolarHBondContact O-N 2.97Å; A368-N372 PolarHBondContact O-N 2.74Å
369	A	85.1	Confident	88.4	Confident	14 Å²	14	27 Å²	27	12%	0.116	16%	0.161	C	C	.	.	H	α-helix	trans	-61.7	-51.8	174.2	0	0	0	0	0	111.1	W212 D364 S366 M371 N372 E373	W212-A369 HydrophobicContact CZ2-CB 4.24Å; D364-A369 HydrophobicContact CB-CB 4.3Å; D364-A369 WeakPolarHBondContact O-CB 3.19Å; S366-A369 PolarHBondContact O-N 3.11Å; S366-A369 PolarHBondContact OG-N 3.24Å; A369-M371 PolarHBondContact O-N 2.88Å; A369-N372 WeakPolarHBondContact O-CB 3.39Å; A369-N372 PolarHBondContact O-N 3.35Å; A369-E373 WeakPolarHBondContact O-CG 3.48Å; A369-E373 PolarHBondContact O-N 3.37Å
370	L	87.3	Confident	88.3	Confident	0 Å²	0	27 Å²	27	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-46.7	-40.1	175	-179.6	73.1	0	0	0	112.8	P108 Y117 M182 N184 W212 S366 E373 I374	P108-L370 HydrophobicContact CG-CD2 4.11Å; Y117-L370 HydrophobicContact CE1-CD2 3.93Å; M182-L370 HydrophobicContact CB-CD1 4Å; M182-L370 WeakPolarHBondContact O-CD1 3.41Å; N184-L370 HydrophobicContact CB-CB 4.48Å; N184-L370 HydrophobicContact CB-CD1 4.32Å; N184-L370 HydrophobicContact CB-CD2 4.06Å; W212-L370 HydrophobicContact CB-CD1 4.29Å; W212-L370 HydrophobicContact CG-CD1 4.14Å; S366-L370 PolarHBondContact O-N 2.78Å; L370-E373 PolarHBondContact O-N 2.86Å; L370-I374 HydrophobicContact CG-CD1 4.33Å; L370-I374 WeakPolarHBondContact O-CG1 3.5Å; L370-I374 PolarHBondContact O-N 2.8Å
371	M	87.8	Confident	88.2	Confident	38 Å²	38	27 Å²	27	19%	0.187	16%	0.161	C	C	.	.	H	α-helix	trans	-76.3	-28.7	-175.5	-76.7	-75	-78.8	0	0	114.1	E116 Y117 S120 S367 A368 A369 I374	E116-M371 HydrophobicContact CB-CE 3.91Å; E116-M371 WeakPolarHBondContact O-CE 3.37Å; Y117-M371 HydrophobicContact CD1-SD 3.42Å; Y117-M371 WeakPolarHBondContact CD1-SD 3.22Å; Y117-M371 HydrophobicContact CE1-SD 3.74Å; Y117-M371 HydrophobicContact CG-SD 4.38Å; S120-M371 PolarHBondContact OG-O 3.15Å; S367-M371 WeakPolarHBondContact O-CB 3.42Å; S367-M371 WeakPolarHBondContact O-CG 3.49Å; S367-M371 PolarHBondContact O-N 2.77Å; A368-M371 PolarHBondContact O-N 2.97Å; A369-M371 PolarHBondContact O-N 2.88Å; M371-I374 HydrophobicContact SD-CD1 4.24Å
372	N	87.6	Confident	88	Confident	103 Å²	103	27 Å²	27	55%	0.551	16%	0.161	S	C	*	.	H	α-helix	trans	-71.2	-38.1	167.7	-67.8	-22.4	0	0	0	110.4	A368 A369 S375 N376	A368-N372 PolarHBondContact O-N 2.74Å; A369-N372 WeakPolarHBondContact O-CB 3.39Å; A369-N372 PolarHBondContact O-N 3.35Å; N372-S375 WeakPolarHBondContact O-CA 3.33Å; N372-S375 WeakPolarHBondContact O-CB 3.39Å; N372-S375 PolarHBondContact O-N 3.09Å; N372-N376 PolarHBondContact O-N 2.93Å
373	E	89.1	Confident	88	Confident	36 Å²	36	29.5 Å²	29.5	17%	0.168	17%	0.17	C	C	.	.	H	α-helix	trans	-77.6	-25.9	-174.4	-61.1	-60.3	150.7	0	0	113.3	M182 W212 A369 L370 S375 N376 A377	M182-E373 VanDerWaalsContact CE-C 3.42Å; M182-E373 HydrophobicContact CE-CB 4.19Å; M182-E373 VanDerWaalsContact CE-O 3.31Å; M182-E373 WeakPolarHBondContact CE-O 3.38Å; W212-E373 HydrophobicContact CD2-CB 4.03Å; W212-E373 HydrophobicContact CD2-CG 4Å; W212-E373 HydrophobicContact CE3-CB 3.78Å; W212-E373 HydrophobicContact CE3-CG 3.53Å; W212-E373 HydrophobicContact CG-CB 4.48Å; W212-E373 HydrophobicContact CH2-CG 3.85Å; W212-E373 HydrophobicContact CZ2-CG 4.26Å; W212-E373 HydrophobicContact CZ3-CB 4.25Å; W212-E373 HydrophobicContact CZ3-CG 3.47Å; W212-E373 VanDerWaalsContact CZ3-CG 3.47Å; A369-E373 WeakPolarHBondContact O-CG 3.48Å; A369-E373 PolarHBondContact O-N 3.37Å; L370-E373 PolarHBondContact O-N 2.86Å; E373-S375 PolarHBondContact O-N 3.21Å; E373-N376 PolarHBondContact O-N 3.13Å; E373-N376 PolarHBondContact OE1-ND2 3.15Å; E373-N376 WeakPolarHBondContact OE2-CB 3.38Å; E373-N376 PolarHBondContact OE2-ND2 2.86Å; E373-A377 VanDerWaalsContact O-CB 3.31Å; E373-A377 WeakPolarHBondContact O-CB 3.47Å; E373-A377 PolarHBondContact O-N 3.08Å
374	I	90	Very high	88	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.6	-38.9	161.7	-72.1	164.5	0	0	0	111	Y117 I121 M182 L370 M371 I378	Y117-I374 HydrophobicContact CD1-CD1 3.63Å; Y117-I374 HydrophobicContact CE1-CD1 3.94Å; I121-I374 HydrophobicContact CG1-CG2 4.19Å; M182-I374 HydrophobicContact CB-CD1 4.39Å; M182-I374 HydrophobicContact CB-CG1 4.01Å; M182-I374 HydrophobicContact CE-CG1 4.06Å; M182-I374 HydrophobicContact CG-CG1 3.95Å; L370-I374 HydrophobicContact CG-CD1 4.33Å; L370-I374 WeakPolarHBondContact O-CG1 3.5Å; L370-I374 PolarHBondContact O-N 2.8Å; M371-I374 HydrophobicContact SD-CD1 4.24Å; I374-I378 HydrophobicContact CG2-CD1 4.18Å; I374-I378 WeakPolarHBondContact O-CD1 3.5Å; I374-I378 VanDerWaalsContact O-CG1 3.29Å; I374-I378 WeakPolarHBondContact O-CG1 3.34Å; I374-I378 PolarHBondContact O-N 2.79Å
375	S	89.4	Confident	88.3	Confident	27 Å²	27	25.4 Å²	25.4	19%	0.189	15%	0.148	C	C	.	.	H	α-helix	trans	-69.4	-43.1	175.7	-169.7	0	0	0	0	111.3	A124 N372 E373 I378 K379	A124-S375 WeakPolarHBondContact CB-OG 3.18Å; N372-S375 WeakPolarHBondContact O-CA 3.33Å; N372-S375 WeakPolarHBondContact O-CB 3.39Å; N372-S375 PolarHBondContact O-N 3.09Å; E373-S375 PolarHBondContact O-N 3.21Å; S375-I378 PolarHBondContact O-N 3.27Å; S375-K379 WeakPolarHBondContact O-CG 3.47Å; S375-K379 PolarHBondContact O-N 2.9Å
376	N	89.6	Confident	88.6	Confident	12 Å²	12	26.7 Å²	26.7	6%	0.064	16%	0.155	C	C	.	.	H	α-helix	trans	-63.8	-43.6	176.9	-68.1	-21.5	0	0	0	112.5	N372 E373 I378 K379 I380 I438	N372-N376 PolarHBondContact O-N 2.93Å; E373-N376 PolarHBondContact O-N 3.13Å; E373-N376 PolarHBondContact OE1-ND2 3.15Å; E373-N376 WeakPolarHBondContact OE2-CB 3.38Å; E373-N376 PolarHBondContact OE2-ND2 2.86Å; N376-I378 VanDerWaalsContact C-N 3.32Å; N376-I378 PolarHBondContact O-N 3.28Å; N376-K379 WeakPolarHBondContact O-CA 3.13Å; N376-K379 WeakPolarHBondContact O-CB 3.18Å; N376-K379 PolarHBondContact O-N 3.28Å; N376-K379 PolarHBondContact OD1-NZ 3.21Å; N376-I380 WeakPolarHBondContact O-CD1 3.42Å; N376-I380 WeakPolarHBondContact O-CG1 3.39Å; N376-I380 PolarHBondContact O-N 3.17Å; N376-I438 HydrophobicContact CB-CD1 4.2Å
377	A	91.7	Very high	88.8	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.3	-39.1	176.3	0	0	0	0	0	112.5	L180 M182 I210 L232 E373 I380 Y381	L180-A377 HydrophobicContact CD1-CB 4.26Å; L180-A377 HydrophobicContact CD2-CB 4.09Å; M182-A377 HydrophobicContact CE-CB 3.86Å; I210-A377 HydrophobicContact CG2-CB 3.92Å; L232-A377 HydrophobicContact CD1-CB 4.08Å; E373-A377 VanDerWaalsContact O-CB 3.31Å; E373-A377 WeakPolarHBondContact O-CB 3.47Å; E373-A377 PolarHBondContact O-N 3.08Å; A377-I380 PolarHBondContact O-N 3.12Å; A377-Y381 PolarHBondContact O-N 2.93Å
378	I	90.4	Very high	89.1	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-65.4	-38.6	173.2	-69.4	167	0	0	0	111.3	I121 A124 V125 L128 F144 I149 L180 I374 S375 N376 S382	I121-I378 HydrophobicContact CG1-CD1 4.32Å; I121-I378 HydrophobicContact CG2-CD1 4.37Å; A124-I378 HydrophobicContact CB-CB 4.23Å; A124-I378 HydrophobicContact CB-CD1 3.96Å; A124-I378 HydrophobicContact CB-CG2 4.08Å; V125-I378 HydrophobicContact CG2-CG2 4.38Å; L128-I378 HydrophobicContact CD1-CG2 4.07Å; F144-I378 HydrophobicContact CE1-CG2 4.31Å; F144-I378 HydrophobicContact CZ-CG2 4.48Å; I149-I378 HydrophobicContact CD1-CD1 4.07Å; I149-I378 HydrophobicContact CD1-CG1 4.46Å; L180-I378 HydrophobicContact CD1-CG1 3.97Å; I374-I378 HydrophobicContact CG2-CD1 4.18Å; I374-I378 WeakPolarHBondContact O-CD1 3.5Å; I374-I378 VanDerWaalsContact O-CG1 3.29Å; I374-I378 WeakPolarHBondContact O-CG1 3.34Å; I374-I378 PolarHBondContact O-N 2.79Å; S375-I378 PolarHBondContact O-N 3.27Å; N376-I378 VanDerWaalsContact C-N 3.32Å; N376-I378 PolarHBondContact O-N 3.28Å; I378-S382 WeakPolarHBondContact O-CB 3.02Å; I378-S382 PolarHBondContact O-N 3.32Å; I378-S382 VanDerWaalsContact O-N 3.09Å; I378-S382 PolarHBondContact O-OG 3Å
379	K	88.9	Confident	89.2	Confident	52 Å²	52	22.8 Å²	22.8	23%	0.226	12%	0.121	C	C	.	.	H	α-helix	trans	-60.6	-53.1	171.3	-61.3	168.2	-162.7	166.2	0	110.7	L128 S375 N376 Y381 S382 Y383 I429	L128-K379 HydrophobicContact CD2-CG 4.46Å; S375-K379 WeakPolarHBondContact O-CG 3.47Å; S375-K379 PolarHBondContact O-N 2.9Å; N376-K379 WeakPolarHBondContact O-CA 3.13Å; N376-K379 WeakPolarHBondContact O-CB 3.18Å; N376-K379 PolarHBondContact O-N 3.28Å; N376-K379 PolarHBondContact OD1-NZ 3.21Å; K379-Y381 VanDerWaalsContact C-N 3.35Å; K379-Y381 PolarHBondContact O-N 3.39Å; K379-S382 PolarHBondContact O-N 2.71Å; K379-S382 PolarHBondContact O-OG 3.48Å; K379-Y383 HydrophobicContact CB-CD2 4.43Å; K379-Y383 VanDerWaalsContact O-CD2 3.31Å; K379-Y383 WeakPolarHBondContact O-CD2 3.27Å; K379-Y383 PolarHBondContact O-N 3.29Å; K379-I429 HydrophobicContact CB-CD1 3.82Å; K379-I429 HydrophobicContact CD-CG2 4.28Å
380	I	91.3	Very high	89.3	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-53.7	-50.8	-178	-66.6	155	0	0	0	110.8	I210 L230 L232 N376 A377 S382 Y383 G384 I429 I438 F440	I210-I380 HydrophobicContact CD1-CB 4.27Å; I210-I380 HydrophobicContact CD1-CG2 3.9Å; L230-I380 HydrophobicContact CD1-CG2 4.27Å; L232-I380 HydrophobicContact CD1-CD1 4.34Å; L232-I380 HydrophobicContact CD2-CD1 3.57Å; N376-I380 WeakPolarHBondContact O-CD1 3.42Å; N376-I380 WeakPolarHBondContact O-CG1 3.39Å; N376-I380 PolarHBondContact O-N 3.17Å; A377-I380 PolarHBondContact O-N 3.12Å; I380-S382 PolarHBondContact O-N 2.85Å; I380-Y383 PolarHBondContact O-N 3.16Å; I380-G384 PolarHBondContact O-N 3.37Å; I380-I429 HydrophobicContact CB-CD1 4.17Å; I380-I429 HydrophobicContact CG1-CD1 3.53Å; I380-I438 HydrophobicContact CD1-CG2 4.4Å; I380-F440 HydrophobicContact CD1-CE2 4.37Å; I380-F440 HydrophobicContact CD1-CZ 3.86Å; I380-F440 HydrophobicContact CG1-CE2 4.48Å; I380-F440 HydrophobicContact CG1-CZ 4.45Å; I380-F440 HydrophobicContact CG2-CE2 4.17Å; I380-F440 HydrophobicContact CG2-CZ 4.43Å
381	Y	92	Very high	89.2	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-56	-48.8	174.5	172.9	-87.3	0	0	0	111.9	I103 F144 S177 A178 A377 K379 Y383 G384 V385 F420	I103-Y381 HydrophobicContact CD1-CD1 3.31Å; I103-Y381 HydrophobicContact CD1-CD2 4.08Å; I103-Y381 HydrophobicContact CD1-CE1 3.42Å; I103-Y381 VanDerWaalsContact CD1-CE1 3.42Å; I103-Y381 HydrophobicContact CD1-CE2 4.15Å; I103-Y381 HydrophobicContact CD1-CG 3.67Å; I103-Y381 HydrophobicContact CG1-CD1 4.18Å; I103-Y381 HydrophobicContact CG1-CD2 4.35Å; I103-Y381 HydrophobicContact CG1-CE1 3.87Å; I103-Y381 HydrophobicContact CG1-CE2 4.03Å; I103-Y381 HydrophobicContact CG1-CG 4.42Å; F144-Y381 HydrophobicContact CE2-CE1 4.28Å; F144-Y381 HydrophobicContact CZ-CD1 4.47Å; F144-Y381 HydrophobicContact CZ-CE1 4.48Å; S177-Y381 WeakPolarHBondContact OG-CE2 3.48Å; S177-Y381 PolarHBondContact OG-OH 3.42Å; A178-Y381 HydrophobicContact CB-CD2 3.78Å; A178-Y381 HydrophobicContact CB-CE2 3.93Å; A377-Y381 PolarHBondContact O-N 2.93Å; K379-Y381 VanDerWaalsContact C-N 3.35Å; K379-Y381 PolarHBondContact O-N 3.39Å; Y381-Y383 PolarHBondContact O-N 3.47Å; Y381-G384 PolarHBondContact O-N 3.03Å; Y381-V385 HydrophobicContact CD1-CG2 4.12Å; Y381-V385 HydrophobicContact CD2-CG2 4.43Å; Y381-V385 HydrophobicContact CE1-CG2 3.53Å; Y381-V385 HydrophobicContact CE2-CG2 3.91Å; Y381-V385 VanDerWaalsContact CZ-CG2 3.4Å; Y381-V385 WeakPolarHBondContact O-CG2 3.27Å; Y381-V385 PolarHBondContact O-N 2.69Å; Y381-F420 HydrophobicContact CD2-CE1 4.38Å; Y381-F420 HydrophobicContact CD2-CZ 4.05Å; Y381-F420 AromaticContact CE2-CE1 3.96Å; Y381-F420 HydrophobicContact CE2-CE1 3.96Å; Y381-F420 AromaticContact CE2-CZ 3.73Å; Y381-F420 HydrophobicContact CE2-CZ 3.73Å
382	S	89.1	Confident	89.1	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.5	-36.9	-176.5	72.4	0	0	0	0	114	L128 F138 I378 K379 I380 E386	L128-S382 WeakPolarHBondContact CD2-OG 3.47Å; F138-S382 WeakPolarHBondContact CE1-O 3.47Å; I378-S382 WeakPolarHBondContact O-CB 3.02Å; I378-S382 PolarHBondContact O-N 3.32Å; I378-S382 VanDerWaalsContact O-N 3.09Å; I378-S382 PolarHBondContact O-OG 3Å; K379-S382 PolarHBondContact O-N 2.71Å; K379-S382 PolarHBondContact O-OG 3.48Å; I380-S382 PolarHBondContact O-N 2.85Å; S382-E386 PolarHBondContact O-N 2.92Å; S382-E386 VanDerWaalsContact O-N 3.17Å
383	Y	89.4	Confident	88.9	Confident	72 Å²	72	30 Å²	30	28%	0.282	18%	0.176	S	C	.	.	H	α-helix	trans	-74.9	-34.1	174.6	-77.2	-74.4	0	0	0	112	L136 K379 I380 Y381 E386 A387 I429	L136-Y383 HydrophobicContact CD2-CD1 3.95Å; L136-Y383 HydrophobicContact CD2-CE1 3.96Å; K379-Y383 HydrophobicContact CB-CD2 4.43Å; K379-Y383 VanDerWaalsContact O-CD2 3.31Å; K379-Y383 WeakPolarHBondContact O-CD2 3.27Å; K379-Y383 PolarHBondContact O-N 3.29Å; I380-Y383 PolarHBondContact O-N 3.16Å; Y381-Y383 PolarHBondContact O-N 3.47Å; Y383-E386 PolarHBondContact O-N 3.43Å; Y383-A387 WeakPolarHBondContact O-CB 3.29Å; Y383-A387 PolarHBondContact O-N 2.79Å; Y383-I429 HydrophobicContact CD2-CD1 3.82Å; Y383-I429 HydrophobicContact CD2-CG1 3.6Å; Y383-I429 HydrophobicContact CE2-CD1 4.46Å; Y383-I429 HydrophobicContact CE2-CG1 3.97Å; Y383-I429 HydrophobicContact CG-CG1 4.29Å
384	G	90.6	Very high	88.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.5	-36.1	173.2	0	0	0	0	0	113.1	I380 Y381 A387 Y388	I380-G384 PolarHBondContact O-N 3.37Å; Y381-G384 PolarHBondContact O-N 3.03Å; G384-A387 PolarHBondContact O-N 2.84Å; G384-Y388 VanDerWaalsContact O-CB 3.29Å; G384-Y388 WeakPolarHBondContact O-CB 3.38Å; G384-Y388 PolarHBondContact O-N 2.63Å
385	V	89.8	Confident	88.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-46.7	171.1	166.6	0	0	0	0	111.3	L101 F138 Y381 A387 Y388 L389 L399 F420	L101-V385 HydrophobicContact CD1-CG1 3.78Å; F138-V385 HydrophobicContact CB-CG1 4.11Å; F138-V385 HydrophobicContact CD1-CG1 4.13Å; F138-V385 HydrophobicContact CD2-CG1 3.9Å; F138-V385 HydrophobicContact CE2-CG1 4.32Å; F138-V385 HydrophobicContact CG-CG1 3.8Å; Y381-V385 HydrophobicContact CD1-CG2 4.12Å; Y381-V385 HydrophobicContact CD2-CG2 4.43Å; Y381-V385 HydrophobicContact CE1-CG2 3.53Å; Y381-V385 HydrophobicContact CE2-CG2 3.91Å; Y381-V385 VanDerWaalsContact CZ-CG2 3.4Å; Y381-V385 WeakPolarHBondContact O-CG2 3.27Å; Y381-V385 PolarHBondContact O-N 2.69Å; V385-A387 VanDerWaalsContact C-N 3.35Å; V385-A387 PolarHBondContact O-N 2.64Å; V385-Y388 PolarHBondContact O-N 2.64Å; V385-L389 HydrophobicContact CG1-CD1 3.62Å; V385-L389 HydrophobicContact CG1-CG 4.34Å; V385-L389 WeakPolarHBondContact O-CB 3.39Å; V385-L389 VanDerWaalsContact O-CG 3.32Å; V385-L389 WeakPolarHBondContact O-CG 3.3Å; V385-L389 PolarHBondContact O-N 3.02Å; V385-L399 HydrophobicContact CG1-CD1 4.34Å; V385-L399 HydrophobicContact CG2-CD1 4.11Å; V385-F420 HydrophobicContact CG2-CE2 3.96Å; V385-F420 HydrophobicContact CG2-CZ 3.75Å
386	E	88.3	Confident	87.5	Confident	30 Å²	30	45.1 Å²	45.1	14%	0.14	24%	0.24	C	C	.	.	H	α-helix	trans	-58.9	-46.1	175.3	-173.6	75.2	176.9	0	0	111	L136 T137 F138 S382 Y383 L389 T390	L136-E386 HydrophobicContact CD2-CB 4.03Å; L136-E386 HydrophobicContact CD2-CG 4.16Å; T137-E386 VanDerWaalsContact CB-OE1 3.31Å; T137-E386 WeakPolarHBondContact CB-OE1 3.29Å; T137-E386 WeakPolarHBondContact CG2-OE1 3.36Å; T137-E386 PolarHBondContact N-OE1 2.68Å; T137-E386 PolarHBondContact N-OE2 3.06Å; T137-E386 VanDerWaalsContact OG1-CD 3.3Å; T137-E386 PolarHBondContact OG1-OE1 3.48Å; T137-E386 PolarHBondContact OG1-OE2 3.27Å; F138-E386 HydrophobicContact CD1-CB 4.26Å; F138-E386 WeakPolarHBondContact CD1-OE2 3.43Å; F138-E386 PolarHBondContact N-OE2 2.73Å; S382-E386 PolarHBondContact O-N 2.92Å; S382-E386 VanDerWaalsContact O-N 3.17Å; Y383-E386 PolarHBondContact O-N 3.43Å; E386-L389 PolarHBondContact O-N 3.23Å; E386-T390 HydrophobicContact CG-CG2 4.44Å; E386-T390 WeakPolarHBondContact O-CB 3.23Å; E386-T390 VanDerWaalsContact O-CG2 3.29Å; E386-T390 WeakPolarHBondContact O-CG2 2.99Å; E386-T390 PolarHBondContact O-N 3.27Å; E386-T390 PolarHBondContact O-OG1 2.86Å
387	A	88.7	Confident	87.1	Confident	37 Å²	37	49.7 Å²	49.7	31%	0.306	26%	0.256	S	S	.	.	H	α-helix	trans	-63.7	-39.9	177.7	0	0	0	0	0	112.9	Y383 G384 V385 T390 Y423	Y383-A387 WeakPolarHBondContact O-CB 3.29Å; Y383-A387 PolarHBondContact O-N 2.79Å; G384-A387 PolarHBondContact O-N 2.84Å; V385-A387 VanDerWaalsContact C-N 3.35Å; V385-A387 PolarHBondContact O-N 2.64Å; A387-T390 PolarHBondContact O-OG1 2.96Å; A387-Y423 HydrophobicContact CB-CD1 4.17Å
388	Y	90	Very high	86.5	Confident	1 Å²	1	56.3 Å²	56.3	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-66.6	-43.5	176.4	176.8	-86.3	0	0	0	112.3	G384 V385 N394 R397 L399 I419 F420 Y423	G384-Y388 VanDerWaalsContact O-CB 3.29Å; G384-Y388 WeakPolarHBondContact O-CB 3.38Å; G384-Y388 PolarHBondContact O-N 2.63Å; V385-Y388 PolarHBondContact O-N 2.64Å; Y388-N394 HydrophobicContact CD1-CB 4.37Å; Y388-N394 HydrophobicContact CE1-CB 3.94Å; Y388-N394 HydrophobicContact CE2-CB 4.18Å; Y388-N394 WeakPolarHBondContact O-CB 3.46Å; Y388-N394 PolarHBondContact O-ND2 3.2Å; Y388-R397 WeakPolarHBondContact CE1-O 3.41Å; Y388-R397 WeakPolarHBondContact OH-CB 3.31Å; Y388-R397 PolarHBondContact OH-O 2.69Å; Y388-L399 HydrophobicContact CD1-CD1 3.91Å; Y388-L399 HydrophobicContact CD1-CD2 3.76Å; Y388-L399 HydrophobicContact CD1-CG 3.85Å; Y388-L399 HydrophobicContact CD2-CD2 4.28Å; Y388-L399 HydrophobicContact CE1-CD1 4.25Å; Y388-L399 HydrophobicContact CE1-CD2 3.59Å; Y388-L399 HydrophobicContact CE1-CG 3.68Å; Y388-L399 HydrophobicContact CE2-CD2 4.11Å; Y388-L399 HydrophobicContact CG-CD2 4.12Å; Y388-I419 HydrophobicContact CE2-CG2 4.23Å; Y388-F420 HydrophobicContact CD2-CB 4.17Å; Y388-F420 AromaticContact CD2-CD2 3.96Å; Y388-F420 HydrophobicContact CD2-CD2 3.96Å; Y388-F420 HydrophobicContact CE2-CB 4.26Å; Y388-F420 HydrophobicContact CG-CD2 4.02Å; Y388-Y423 AromaticContact CD2-CD2 3.66Å; Y388-Y423 HydrophobicContact CD2-CD2 3.66Å; Y388-Y423 AromaticContact CD2-CE2 3.8Å; Y388-Y423 HydrophobicContact CD2-CE2 3.8Å; Y388-Y423 HydrophobicContact CD2-CG 4.46Å; Y388-Y423 HydrophobicContact CE2-CE2 4.48Å; Y388-Y423 HydrophobicContact CG-CD2 4.38Å
389	L	87.4	Confident	86.1	Confident	56 Å²	56	56.5 Å²	56.5	29%	0.293	28%	0.282	S	S	.	.	H	α-helix	trans	-79.3	-23.5	-176.1	-69.3	173.1	0	0	0	113.8	F138 Y142 V385 E386	F138-L389 HydrophobicContact CB-CD1 3.64Å; Y142-L389 HydrophobicContact CD2-CD1 3.89Å; Y142-L389 HydrophobicContact CE2-CD1 3.6Å; Y142-L389 HydrophobicContact CE2-CD2 4.07Å; V385-L389 HydrophobicContact CG1-CD1 3.62Å; V385-L389 HydrophobicContact CG1-CG 4.34Å; V385-L389 WeakPolarHBondContact O-CB 3.39Å; V385-L389 VanDerWaalsContact O-CG 3.32Å; V385-L389 WeakPolarHBondContact O-CG 3.3Å; V385-L389 PolarHBondContact O-N 3.02Å; E386-L389 PolarHBondContact O-N 3.23Å
390	T	86.1	Confident	85.5	Confident	85 Å²	85	55.9 Å²	55.9	52%	0.521	28%	0.283	S	S	.	.	H	α-helix	trans	-80.4	-18.7	176.1	48	0	0	0	0	113.2	E386 A387	E386-T390 HydrophobicContact CG-CG2 4.44Å; E386-T390 WeakPolarHBondContact O-CB 3.23Å; E386-T390 VanDerWaalsContact O-CG2 3.29Å; E386-T390 WeakPolarHBondContact O-CG2 2.99Å; E386-T390 PolarHBondContact O-N 3.27Å; E386-T390 PolarHBondContact O-OG1 2.86Å; A387-T390 PolarHBondContact O-OG1 2.96Å
391	D	86.8	Confident	84.7	Confident	53 Å²	53	56 Å²	56	28%	0.283	28%	0.283	S	S	.	.	S	Bend	trans	-73.3	120.7	174.7	-167.6	-42.8	0	0	0	111.1	A393 N394 Y423	D391-A393 PolarHBondContact O-N 3.41Å; D391-A393 VanDerWaalsContact O-N 3.13Å; D391-A393 VanDerWaalsContact OD1-CB 3.22Å; D391-A393 WeakPolarHBondContact OD1-CB 3.37Å; D391-A393 PolarHBondContact OD1-N 3.37Å; D391-N394 PolarHBondContact O-N 3.35Å; D391-Y423 HydrophobicContact CB-CE1 4Å; D391-Y423 PolarHBondContact OD2-OH 2.9Å
392	P	84.4	Confident	83.7	Confident	99 Å²	99	62.9 Å²	62.9	64%	0.643	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-61.8	-20.8	-179.5	26.5	-35.4	0	0	0	113.9	N394	P392-N394 VanDerWaalsContact C-N 3.26Å; P392-N394 PolarHBondContact O-N 2.89Å
393	A	84	Confident	82.9	Confident	68 Å²	68	65.4 Å²	65.4	56%	0.562	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-72.2	-14.8	178.7	0	0	0	0	0	114	D391	D391-A393 PolarHBondContact O-N 3.41Å; D391-A393 VanDerWaalsContact O-N 3.13Å; D391-A393 VanDerWaalsContact OD1-CB 3.22Å; D391-A393 WeakPolarHBondContact OD1-CB 3.37Å; D391-A393 PolarHBondContact OD1-N 3.37Å
394	N	83.9	Confident	82.4	Confident	8 Å²	8	62.6 Å²	62.6	4%	0.043	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-102.9	2.9	-177.8	-60.4	-37.1	0	0	0	114	Y388 D391 P392 D396 R397 Y423	Y388-N394 HydrophobicContact CD1-CB 4.37Å; Y388-N394 HydrophobicContact CE1-CB 3.94Å; Y388-N394 HydrophobicContact CE2-CB 4.18Å; Y388-N394 WeakPolarHBondContact O-CB 3.46Å; Y388-N394 PolarHBondContact O-ND2 3.2Å; D391-N394 PolarHBondContact O-N 3.35Å; P392-N394 VanDerWaalsContact C-N 3.26Å; P392-N394 PolarHBondContact O-N 2.89Å; N394-D396 PolarHBondContact O-N 2.67Å; N394-D396 VanDerWaalsContact O-N 3.09Å; N394-R397 PolarHBondContact O-N 2.78Å; N394-Y423 WeakPolarHBondContact ND2-CE2 3.43Å; N394-Y423 VanDerWaalsContact ND2-CZ 3.26Å; N394-Y423 PolarHBondContact ND2-OH 2.86Å
395	R	78.1	Confident	81.9	Confident	211 Å²	211	65.1 Å²	65.1	80%	0.796	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-34.7	-174.3	-87.2	-177.4	165.7	173.5	-3.2	115.1
396	D	77.1	Confident	81.4	Confident	162 Å²	162	68.4 Å²	68.4	87%	0.866	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-2.6	-179.8	-55.1	-47.1	0	0	0	113.3	N394	N394-D396 PolarHBondContact O-N 2.67Å; N394-D396 VanDerWaalsContact O-N 3.09Å
397	R	80.8	Confident	80.9	Confident	109 Å²	109	76 Å²	76	41%	0.411	40%	0.398	S	S	.	.			trans	-112.2	101.1	-171.2	-67.9	-178.7	173.7	147.3	-5.7	112.4	Y388 N394	Y388-R397 WeakPolarHBondContact CE1-O 3.41Å; Y388-R397 WeakPolarHBondContact OH-CB 3.31Å; Y388-R397 PolarHBondContact OH-O 2.69Å; N394-R397 PolarHBondContact O-N 2.78Å
398	R	79.9	Confident	79.8	Confident	139 Å²	139	79.9 Å²	79.9	53%	0.525	41%	0.414	S	S	.	.			trans	-71.9	148.2	177.9	-64.1	169.8	174.5	-109.6	-9.5	112.5	E99 T400 N416	E99-R398 VanDerWaalsContact CD-NH1 3.28Å; E99-R398 IonicContact OE1-CZ 3.65Å; E99-R398 IonicContact OE1-NH1 3.64Å; E99-R398 PolarHBondContact OE1-NH1 2.86Å; E99-R398 IonicContact OE1-NH2 3.1Å; E99-R398 PolarHBondContact OE1-NH2 2.7Å; E99-R398 IonicContact OE2-NH1 2.81Å; E99-R398 PolarHBondContact OE2-NH1 3.46Å; R398-T400 PolarHBondContact O-N 3.33Å; R398-N416 PolarHBondContact O-ND2 2.81Å
399	L	81.1	Confident	78.4	Confident	5 Å²	5	89.8 Å²	89.8	3%	0.026	46%	0.461	C	S	.	.	S	Bend	trans	-81.6	26.7	174.9	-69.6	173.4	0	0	0	113.3	L101 S177 V385 Y388 W414 F420	L101-L399 HydrophobicContact CD2-CB 3.93Å; L101-L399 HydrophobicContact CD2-CD1 4.04Å; S177-L399 WeakPolarHBondContact CB-O 3.25Å; V385-L399 HydrophobicContact CG1-CD1 4.34Å; V385-L399 HydrophobicContact CG2-CD1 4.11Å; Y388-L399 HydrophobicContact CD1-CD1 3.91Å; Y388-L399 HydrophobicContact CD1-CD2 3.76Å; Y388-L399 HydrophobicContact CD1-CG 3.85Å; Y388-L399 HydrophobicContact CD2-CD2 4.28Å; Y388-L399 HydrophobicContact CE1-CD1 4.25Å; Y388-L399 HydrophobicContact CE1-CD2 3.59Å; Y388-L399 HydrophobicContact CE1-CG 3.68Å; Y388-L399 HydrophobicContact CE2-CD2 4.11Å; Y388-L399 HydrophobicContact CG-CD2 4.12Å; L399-W414 HydrophobicContact CD2-CH2 4.47Å; L399-F420 HydrophobicContact CD1-CE2 4.36Å; L399-F420 HydrophobicContact CD2-CB 4.01Å; L399-F420 HydrophobicContact CD2-CD1 3.96Å; L399-F420 HydrophobicContact CD2-CD2 3.71Å; L399-F420 HydrophobicContact CD2-CE1 4.36Å; L399-F420 HydrophobicContact CD2-CE2 4.15Å; L399-F420 HydrophobicContact CD2-CG 3.62Å; L399-F420 HydrophobicContact CD2-CZ 4.46Å
400	T	76.5	Confident	77	Confident	39 Å²	39	89.3 Å²	89.3	24%	0.239	47%	0.469	C	S	.	.			trans	-100.9	130.5	-176.5	49.3	0	0	0	0	111.9	R398 Q402 W414	R398-T400 PolarHBondContact O-N 3.33Å; T400-Q402 VanDerWaalsContact C-N 3.28Å; T400-Q402 PolarHBondContact O-N 2.81Å; T400-W414 PolarHBondContact O-NE1 3.12Å; T400-W414 VanDerWaalsContact O-NE1 3.14Å
401	T	75.1	Confident	76	Confident	1 Å²	1	93.6 Å²	93.6	1%	0.006	48%	0.475	C	S	.	.			trans	-86.5	22.3	179.9	32.3	0	0	0	0	114.5	N175 V176 I207 S403 L404 W414	N175-T401 WeakPolarHBondContact CA-OG1 3.37Å; N175-T401 PolarHBondContact O-OG1 2.9Å; V176-T401 PolarHBondContact N-OG1 3.23Å; V176-T401 WeakPolarHBondContact O-CG2 3.39Å; V176-T401 PolarHBondContact O-OG1 3.43Å; I207-T401 HydrophobicContact CG1-CG2 4.47Å; T401-S403 PolarHBondContact O-N 2.95Å; T401-L404 HydrophobicContact CG2-CD1 4.09Å; T401-L404 PolarHBondContact O-N 2.94Å; T401-W414 HydrophobicContact CG2-CB 4.34Å; T401-W414 HydrophobicContact CG2-CD2 3.44Å; T401-W414 VanDerWaalsContact CG2-CD2 3.44Å; T401-W414 HydrophobicContact CG2-CE3 3.7Å; T401-W414 HydrophobicContact CG2-CG 3.75Å; T401-W414 HydrophobicContact CG2-CH2 4.37Å; T401-W414 HydrophobicContact CG2-CZ2 4.13Å; T401-W414 HydrophobicContact CG2-CZ3 4.16Å
402	Q	71.8	Confident	75.4	Confident	145 Å²	145	92.8 Å²	92.8	68%	0.678	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-4	-176.7	-71.6	174.2	-20.7	0	0	116.1	N175 T400	N175-Q402 WeakPolarHBondContact OD1-CA 3.41Å; N175-Q402 WeakPolarHBondContact OD1-CG 3.44Å; N175-Q402 PolarHBondContact OD1-N 2.87Å; N175-Q402 VanDerWaalsContact OD1-N 3.13Å; T400-Q402 VanDerWaalsContact C-N 3.28Å; T400-Q402 PolarHBondContact O-N 2.81Å
403	S	70.6	Confident	75.5	Confident	54 Å²	54	93.5 Å²	93.5	38%	0.378	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-14.8	173	33.4	0	0	0	0	113.6	T401	T401-S403 PolarHBondContact O-N 2.95Å
404	L	79.8	Confident	75.6	Confident	13 Å²	13	90.5 Å²	90.5	7%	0.068	44%	0.444	C	S	.	.			trans	-97.3	126.9	-178.6	-60.6	179.9	0	0	0	111	L172 L205 I207 T401 R411 W414	L172-L404 HydrophobicContact CD2-CB 3.76Å; L172-L404 HydrophobicContact CD2-CD1 3.7Å; L172-L404 HydrophobicContact CD2-CG 4.41Å; L205-L404 HydrophobicContact CB-CD1 4.23Å; L205-L404 HydrophobicContact CD2-CD1 4.46Å; L205-L404 HydrophobicContact CD2-CD2 4.15Å; I207-L404 HydrophobicContact CD1-CD1 3.79Å; I207-L404 HydrophobicContact CG1-CD1 3.96Å; T401-L404 HydrophobicContact CG2-CD1 4.09Å; T401-L404 PolarHBondContact O-N 2.94Å; L404-R411 WeakPolarHBondContact CD2-O 3.29Å; L404-W414 HydrophobicContact CD1-CB 4.09Å; L404-W414 HydrophobicContact CG-CB 4.36Å
405	S	79.1	Confident	75.6	Confident	53 Å²	53	94.4 Å²	94.4	37%	0.371	47%	0.465	S	S	.	.			trans	-138	156.2	171.6	179	0	0	0	0	109.3	E407 D408	S405-E407 PolarHBondContact OG-N 3.41Å; S405-E407 VanDerWaalsContact OG-N 3.14Å; S405-D408 WeakPolarHBondContact CB-OD2 3.44Å; S405-D408 PolarHBondContact OG-N 3.35Å; S405-D408 PolarHBondContact OG-OD2 2.91Å
406	C	80.4	Confident	76	Confident	69 Å²	69	86.1 Å²	86.1	47%	0.466	44%	0.436	S	S	.	.	S	Bend	trans	-97	-5.3	170.2	-68.9	0	0	0	0	113.3	C168	C168-C406 VanDerWaalsContact CA-SG 3.52Å; C168-C406 HydrophobicContact CB-CB 3.75Å; C168-C406 WeakPolarHBondContact CB-SG 3.32Å; C168-C406 WeakPolarHBondContact SG-CB 3.31Å; C168-C406 CovalentContact SG-SG 2.04Å; C168-C406 PolarHBondContact SG-SG 2.86Å
407	E	77.8	Confident	76.5	Confident	188 Å²	188	78.4 Å²	78.4	88%	0.879	40%	0.395	S	S	*	.	S	Bend	trans	-121.8	-10.2	-171.4	-62.5	-178.2	179.2	0	0	113.2	S405	S405-E407 PolarHBondContact OG-N 3.41Å; S405-E407 VanDerWaalsContact OG-N 3.14Å
408	D	64.5	Low	76.8	Confident	119 Å²	119	77.2 Å²	77.2	64%	0.636	39%	0.394	S	S	*	.	S	Bend	trans	-112.9	156.7	-177.2	-55.6	-82.2	0	0	0	113.4	S405 G410	S405-D408 WeakPolarHBondContact CB-OD2 3.44Å; S405-D408 PolarHBondContact OG-N 3.35Å; S405-D408 PolarHBondContact OG-OD2 2.91Å; D408-G410 PolarHBondContact O-N 3.26Å
409	E	61	Low	77.2	Confident	210 Å²	210	73 Å²	73	98%	0.981	38%	0.381	S	S	*	.	S	Bend	trans	-72.8	41.2	170.2	-60.1	-171	148.6	0	0	113.2
410	G	59.2	Low	77.7	Confident	45 Å²	45	72.7 Å²	72.7	46%	0.464	38%	0.38	S	S	.	.			trans	-75.3	175.8	-179.3	0	0	0	0	0	114.3	D408 G412	D408-G410 PolarHBondContact O-N 3.26Å; G410-G412 PolarHBondContact O-N 3.41Å
411	R	64.2	Low	78.3	Confident	175 Å²	175	71.4 Å²	71.4	66%	0.66	37%	0.371	S	S	*	.			trans	-71.1	109.2	169.1	-73.9	-171	-178.3	-172.2	1.5	109.2	L404 R413 D415	L404-R411 WeakPolarHBondContact CD2-O 3.29Å; R411-R413 PolarHBondContact O-N 3.35Å; R411-D415 IonicContact NH1-OD2 3.42Å; R411-D415 PolarHBondContact NH1-OD2 2.99Å
412	G	74.4	Confident	79	Confident	36 Å²	36	77.6 Å²	77.6	37%	0.371	40%	0.398	S	S	.	.	S	Bend	trans	-68.4	19	179.7	0	0	0	0	0	117.1	G410	G410-G412 PolarHBondContact O-N 3.41Å
413	R	85.8	Confident	80	Confident	115 Å²	115	72.6 Å²	72.6	43%	0.434	37%	0.373	S	S	.	.	S	Bend	trans	-147.6	139.1	178.8	-175.2	176.1	-175	149	-3.3	111	R411 E418	R411-R413 PolarHBondContact O-N 3.35Å; R413-E418 IonicContact CZ-OE1 3.61Å; R413-E418 IonicContact NE-OE1 3.6Å; R413-E418 IonicContact NH2-OE1 2.74Å; R413-E418 PolarHBondContact NH2-OE1 3.35Å
414	W	87.4	Confident	81	Confident	5 Å²	5	70.1 Å²	70.1	2%	0.019	36%	0.355	C	S	.	.			trans	-94.3	98	-179.9	-177.3	50.4	0	0	0	111.9	S177 L205 L399 T400 T401 L404 N416 G417 F420	S177-W414 WeakPolarHBondContact O-CZ3 3.47Å; L205-W414 WeakPolarHBondContact O-CB 3.48Å; L205-W414 PolarHBondContact O-N 2.88Å; L399-W414 HydrophobicContact CD2-CH2 4.47Å; T400-W414 PolarHBondContact O-NE1 3.12Å; T400-W414 VanDerWaalsContact O-NE1 3.14Å; T401-W414 HydrophobicContact CG2-CB 4.34Å; T401-W414 HydrophobicContact CG2-CD2 3.44Å; T401-W414 VanDerWaalsContact CG2-CD2 3.44Å; T401-W414 HydrophobicContact CG2-CE3 3.7Å; T401-W414 HydrophobicContact CG2-CG 3.75Å; T401-W414 HydrophobicContact CG2-CH2 4.37Å; T401-W414 HydrophobicContact CG2-CZ2 4.13Å; T401-W414 HydrophobicContact CG2-CZ3 4.16Å; L404-W414 HydrophobicContact CD1-CB 4.09Å; L404-W414 HydrophobicContact CG-CB 4.36Å; W414-N416 HydrophobicContact CZ2-CB 4.18Å; W414-N416 PolarHBondContact O-N 2.84Å; W414-N416 VanDerWaalsContact O-N 3.12Å; W414-G417 PolarHBondContact O-N 2.93Å; W414-F420 HydrophobicContact CH2-CD1 4.21Å; W414-F420 HydrophobicContact CZ3-CD1 4.46Å
415	D	83.1	Confident	81.5	Confident	90 Å²	90	73.6 Å²	73.6	48%	0.481	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-29.3	-174.4	-60.4	-37.3	0	0	0	114.3	R411 G417	R411-D415 IonicContact NH1-OD2 3.42Å; R411-D415 PolarHBondContact NH1-OD2 2.99Å; D415-G417 VanDerWaalsContact C-N 3.34Å
416	N	87.4	Confident	82	Confident	36 Å²	36	77.8 Å²	77.8	19%	0.193	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-17.5	177.9	-73.4	-11.2	0	0	0	113.5	R398 W414 E418 I419 F420	R398-N416 PolarHBondContact O-ND2 2.81Å; W414-N416 HydrophobicContact CZ2-CB 4.18Å; W414-N416 PolarHBondContact O-N 2.84Å; W414-N416 VanDerWaalsContact O-N 3.12Å; N416-E418 PolarHBondContact O-N 2.86Å; N416-I419 WeakPolarHBondContact O-CB 3.28Å; N416-I419 PolarHBondContact O-N 3.14Å; N416-F420 PolarHBondContact O-N 2.88Å
417	G	87.3	Confident	82.5	Confident	0 Å²	0	75 Å²	75	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-68.6	-36.2	-170.2	0	0	0	0	0	114.3	G206 W414 D415 I419 F420 F421	G206-G417 WeakPolarHBondContact O-CA 3.48Å; W414-G417 PolarHBondContact O-N 2.93Å; D415-G417 VanDerWaalsContact C-N 3.34Å; G417-I419 VanDerWaalsContact C-N 3.3Å; G417-I419 PolarHBondContact O-N 3.4Å; G417-F420 PolarHBondContact O-N 3.23Å; G417-F421 WeakPolarHBondContact O-CB 3.35Å; G417-F421 PolarHBondContact O-N 3.44Å
418	E	86.8	Confident	83	Confident	85 Å²	85	69.5 Å²	69.5	40%	0.397	35%	0.349	S	S	.	.	H	α-helix	trans	-64.6	-38.1	173.7	-49.4	-166	152.8	0	0	111.9	L228 R413 N416 F421 K422	L228-E418 HydrophobicContact CD1-CG 4.29Å; L228-E418 HydrophobicContact CD2-CB 4.23Å; L228-E418 HydrophobicContact CD2-CG 4.13Å; R413-E418 IonicContact CZ-OE1 3.61Å; R413-E418 IonicContact NE-OE1 3.6Å; R413-E418 IonicContact NH2-OE1 2.74Å; R413-E418 PolarHBondContact NH2-OE1 3.35Å; N416-E418 PolarHBondContact O-N 2.86Å; E418-F421 PolarHBondContact O-N 2.91Å; E418-K422 PolarHBondContact O-N 2.9Å; E418-K422 VanDerWaalsContact O-N 3.13Å
419	I	88.4	Confident	84	Confident	49 Å²	49	64.2 Å²	64.2	25%	0.251	32%	0.32	S	S	.	.	H	α-helix	trans	-66.8	-46	178.5	-56.9	-179	0	0	0	108.8	Y388 N416 G417 K422 Y423	Y388-I419 HydrophobicContact CE2-CG2 4.23Å; N416-I419 WeakPolarHBondContact O-CB 3.28Å; N416-I419 PolarHBondContact O-N 3.14Å; G417-I419 VanDerWaalsContact C-N 3.3Å; G417-I419 PolarHBondContact O-N 3.4Å; I419-K422 WeakPolarHBondContact O-CB 3.45Å; I419-K422 PolarHBondContact O-N 3.38Å; I419-Y423 HydrophobicContact CG2-CE2 4.01Å; I419-Y423 WeakPolarHBondContact O-CD2 3.37Å; I419-Y423 WeakPolarHBondContact O-CE2 3.2Å
420	F	90.8	Very high	84.9	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-41.5	175.1	-178.8	-137.9	0	0	0	112.6	A178 P208 Y381 V385 Y388 L399 W414 N416 G417 K422 Y423 L424	A178-F420 HydrophobicContact CB-CE1 4.45Å; P208-F420 HydrophobicContact CG-CD1 3.89Å; P208-F420 HydrophobicContact CG-CE1 4.27Å; Y381-F420 HydrophobicContact CD2-CE1 4.38Å; Y381-F420 HydrophobicContact CD2-CZ 4.05Å; Y381-F420 AromaticContact CE2-CE1 3.96Å; Y381-F420 HydrophobicContact CE2-CE1 3.96Å; Y381-F420 AromaticContact CE2-CZ 3.73Å; Y381-F420 HydrophobicContact CE2-CZ 3.73Å; V385-F420 HydrophobicContact CG2-CE2 3.96Å; V385-F420 HydrophobicContact CG2-CZ 3.75Å; Y388-F420 HydrophobicContact CD2-CB 4.17Å; Y388-F420 AromaticContact CD2-CD2 3.96Å; Y388-F420 HydrophobicContact CD2-CD2 3.96Å; Y388-F420 HydrophobicContact CE2-CB 4.26Å; Y388-F420 HydrophobicContact CG-CD2 4.02Å; L399-F420 HydrophobicContact CD1-CE2 4.36Å; L399-F420 HydrophobicContact CD2-CB 4.01Å; L399-F420 HydrophobicContact CD2-CD1 3.96Å; L399-F420 HydrophobicContact CD2-CD2 3.71Å; L399-F420 HydrophobicContact CD2-CE1 4.36Å; L399-F420 HydrophobicContact CD2-CE2 4.15Å; L399-F420 HydrophobicContact CD2-CG 3.62Å; L399-F420 HydrophobicContact CD2-CZ 4.46Å; W414-F420 HydrophobicContact CH2-CD1 4.21Å; W414-F420 HydrophobicContact CZ3-CD1 4.46Å; N416-F420 PolarHBondContact O-N 2.88Å; G417-F420 PolarHBondContact O-N 3.23Å; F420-K422 VanDerWaalsContact C-N 3.26Å; F420-K422 PolarHBondContact O-N 2.65Å; F420-Y423 PolarHBondContact O-N 2.91Å; F420-L424 HydrophobicContact CD1-CD1 4.05Å; F420-L424 HydrophobicContact CD2-CG 4.41Å; F420-L424 HydrophobicContact CE1-CD1 3.84Å; F420-L424 HydrophobicContact CE1-CG 4.35Å; F420-L424 HydrophobicContact CE2-CD1 4.46Å; F420-L424 HydrophobicContact CE2-CD2 4.24Å; F420-L424 HydrophobicContact CE2-CG 4.11Å; F420-L424 HydrophobicContact CG-CD1 4.45Å; F420-L424 HydrophobicContact CZ-CD1 4.05Å; F420-L424 HydrophobicContact CZ-CD2 3.99Å; F420-L424 HydrophobicContact CZ-CG 4.06Å; F420-L424 PolarHBondContact O-N 2.89Å
421	F	90.8	Very high	85.4	Confident	12 Å²	12	61.5 Å²	61.5	5%	0.053	30%	0.304	C	S	.	.	H	α-helix	trans	-56.4	-37.7	174.8	-178.3	-100.7	0	0	0	112.9	P208 T227 L228 Q229 L230 G417 E418 Y423 L424 R425	P208-F421 HydrophobicContact CB-CB 4.26Å; P208-F421 HydrophobicContact CB-CD2 3.94Å; T227-F421 VanDerWaalsContact O-CE1 3.29Å; T227-F421 WeakPolarHBondContact O-CE1 3.09Å; L228-F421 HydrophobicContact CB-CD2 4.23Å; L228-F421 HydrophobicContact CB-CG 4.36Å; L228-F421 HydrophobicContact CD2-CB 3.81Å; L228-F421 HydrophobicContact CD2-CD1 3.84Å; L228-F421 HydrophobicContact CD2-CD2 4.48Å; L228-F421 HydrophobicContact CD2-CG 3.78Å; L228-F421 WeakPolarHBondContact O-CD2 3.3Å; L228-F421 VanDerWaalsContact O-CE2 3.3Å; L228-F421 WeakPolarHBondContact O-CE2 3.47Å; Q229-F421 WeakPolarHBondContact O-CZ 3.44Å; L230-F421 HydrophobicContact CD2-CE2 3.72Å; L230-F421 HydrophobicContact CD2-CZ 3.72Å; L230-F421 HydrophobicContact CG-CE2 3.72Å; L230-F421 HydrophobicContact CG-CZ 4.25Å; G417-F421 WeakPolarHBondContact O-CB 3.35Å; G417-F421 PolarHBondContact O-N 3.44Å; E418-F421 PolarHBondContact O-N 2.91Å; F421-Y423 VanDerWaalsContact C-N 3.27Å; F421-Y423 PolarHBondContact O-N 2.85Å; F421-L424 PolarHBondContact O-N 3.44Å; F421-R425 WeakPolarHBondContact O-CB 3.43Å; F421-R425 PolarHBondContact O-N 2.85Å
422	K	89.6	Confident	85.8	Confident	131 Å²	131	58.4 Å²	58.4	57%	0.57	30%	0.3	S	S	*	.	H	α-helix	trans	-58.7	-36.4	175	-171.9	-172.5	173.2	-169.3	0	112.8	E418 I419 F420 N426	E418-K422 PolarHBondContact O-N 2.9Å; E418-K422 VanDerWaalsContact O-N 3.13Å; I419-K422 WeakPolarHBondContact O-CB 3.45Å; I419-K422 PolarHBondContact O-N 3.38Å; F420-K422 VanDerWaalsContact C-N 3.26Å; F420-K422 PolarHBondContact O-N 2.65Å; K422-N426 PolarHBondContact O-N 2.88Å
423	Y	91.4	Very high	85.5	Confident	40 Å²	40	64.7 Å²	64.7	16%	0.157	32%	0.324	C	S	.	.	H	α-helix	trans	-76.3	-43.3	175.3	-61.1	-91.7	0	0	0	111.1	A387 Y388 D391 N394 I419 F420 F421 R425 N426 V427	A387-Y423 HydrophobicContact CB-CD1 4.17Å; Y388-Y423 AromaticContact CD2-CD2 3.66Å; Y388-Y423 HydrophobicContact CD2-CD2 3.66Å; Y388-Y423 AromaticContact CD2-CE2 3.8Å; Y388-Y423 HydrophobicContact CD2-CE2 3.8Å; Y388-Y423 HydrophobicContact CD2-CG 4.46Å; Y388-Y423 HydrophobicContact CE2-CE2 4.48Å; Y388-Y423 HydrophobicContact CG-CD2 4.38Å; D391-Y423 HydrophobicContact CB-CE1 4Å; D391-Y423 PolarHBondContact OD2-OH 2.9Å; N394-Y423 WeakPolarHBondContact ND2-CE2 3.43Å; N394-Y423 VanDerWaalsContact ND2-CZ 3.26Å; N394-Y423 PolarHBondContact ND2-OH 2.86Å; I419-Y423 HydrophobicContact CG2-CE2 4.01Å; I419-Y423 WeakPolarHBondContact O-CD2 3.37Å; I419-Y423 WeakPolarHBondContact O-CE2 3.2Å; F420-Y423 PolarHBondContact O-N 2.91Å; F421-Y423 VanDerWaalsContact C-N 3.27Å; F421-Y423 PolarHBondContact O-N 2.85Å; Y423-R425 VanDerWaalsContact C-N 3.31Å; Y423-R425 PolarHBondContact O-N 3.49Å; Y423-N426 CarbonylContact O-C 3.47Å; Y423-N426 PolarHBondContact O-N 3.16Å; Y423-V427 WeakPolarHBondContact O-CG2 3.35Å; Y423-V427 PolarHBondContact O-N 3.01Å
424	L	91.7	Very high	84.9	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-53.8	-45.6	175.3	-71.4	169.8	0	0	0	112	P208 L230 F420 F421 N426 V427	P208-L424 HydrophobicContact CB-CD1 3.8Å; P208-L424 HydrophobicContact CG-CD1 3.88Å; L230-L424 HydrophobicContact CD1-CB 3.93Å; F420-L424 HydrophobicContact CD1-CD1 4.05Å; F420-L424 HydrophobicContact CD2-CG 4.41Å; F420-L424 HydrophobicContact CE1-CD1 3.84Å; F420-L424 HydrophobicContact CE1-CG 4.35Å; F420-L424 HydrophobicContact CE2-CD1 4.46Å; F420-L424 HydrophobicContact CE2-CD2 4.24Å; F420-L424 HydrophobicContact CE2-CG 4.11Å; F420-L424 HydrophobicContact CG-CD1 4.45Å; F420-L424 HydrophobicContact CZ-CD1 4.05Å; F420-L424 HydrophobicContact CZ-CD2 3.99Å; F420-L424 HydrophobicContact CZ-CG 4.06Å; F420-L424 PolarHBondContact O-N 2.89Å; F421-L424 PolarHBondContact O-N 3.44Å; L424-N426 VanDerWaalsContact C-N 3.27Å; L424-N426 PolarHBondContact O-N 2.65Å; L424-V427 WeakPolarHBondContact O-CB 3.21Å; L424-V427 WeakPolarHBondContact O-CG2 3.27Å; L424-V427 PolarHBondContact O-N 2.92Å
425	R	90.6	Very high	84.5	Confident	86 Å²	86	71.5 Å²	71.5	33%	0.325	37%	0.365	S	S	.	.	H	α-helix	trans	-65	-28.5	177.3	-169.6	-178.6	64	-171.3	-4.8	113.2	L230 F421 Y423 F440 T441 A442	L230-R425 HydrophobicContact CD2-CB 3.94Å; L230-R425 HydrophobicContact CD2-CG 4.02Å; F421-R425 WeakPolarHBondContact O-CB 3.43Å; F421-R425 PolarHBondContact O-N 2.85Å; Y423-R425 VanDerWaalsContact C-N 3.31Å; Y423-R425 PolarHBondContact O-N 3.49Å; R425-F440 HydrophobicContact CG-CB 4.1Å; R425-T441 WeakPolarHBondContact CD-O 3.28Å; R425-A442 VanDerWaalsContact CD-O 3.25Å; R425-A442 WeakPolarHBondContact CD-O 3.26Å; R425-A442 PolarHBondContact NH1-O 2.86Å
426	N	90.5	Very high	84.6	Confident	141 Å²	141	69.1 Å²	69.1	75%	0.754	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	20.2	-178	-158.8	84.8	0	0	0	112.8	K422 Y423 L424	K422-N426 PolarHBondContact O-N 2.88Å; Y423-N426 CarbonylContact O-C 3.47Å; Y423-N426 PolarHBondContact O-N 3.16Å; L424-N426 VanDerWaalsContact C-N 3.27Å; L424-N426 PolarHBondContact O-N 2.65Å
427	V	89.8	Confident	84.6	Confident	10 Å²	10	70.8 Å²	70.8	6%	0.061	36%	0.363	C	S	.	.			trans	-78.9	134.1	170.6	171.7	0	0	0	0	109.9	Y423 L424 I429	Y423-V427 WeakPolarHBondContact O-CG2 3.35Å; Y423-V427 PolarHBondContact O-N 3.01Å; L424-V427 WeakPolarHBondContact O-CB 3.21Å; L424-V427 WeakPolarHBondContact O-CG2 3.27Å; L424-V427 PolarHBondContact O-N 2.92Å; V427-I429 HydrophobicContact CG1-CD1 3.59Å; V427-I429 HydrophobicContact CG1-CG1 3.69Å
428	S	89	Confident	84.8	Confident	74 Å²	74	72.1 Å²	72.1	52%	0.517	37%	0.37	S	S	.	.			trans	-116.4	128.8	163.7	58.6	0	0	0	0	109.9	I438	S428-I438 WeakPolarHBondContact CA-O 3.49Å
429	I	85.1	Confident	85	Confident	7 Å²	7	70.9 Å²	70.9	4%	0.036	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-122.1	134.3	-178.8	-76.8	158	0	0	0	110.6	K379 I380 Y383 V427 G431 N437 I438	K379-I429 HydrophobicContact CB-CD1 3.82Å; K379-I429 HydrophobicContact CD-CG2 4.28Å; I380-I429 HydrophobicContact CB-CD1 4.17Å; I380-I429 HydrophobicContact CG1-CD1 3.53Å; Y383-I429 HydrophobicContact CD2-CD1 3.82Å; Y383-I429 HydrophobicContact CD2-CG1 3.6Å; Y383-I429 HydrophobicContact CE2-CD1 4.46Å; Y383-I429 HydrophobicContact CE2-CG1 3.97Å; Y383-I429 HydrophobicContact CG-CG1 4.29Å; V427-I429 HydrophobicContact CG1-CD1 3.59Å; V427-I429 HydrophobicContact CG1-CG1 3.69Å; I429-G431 PolarHBondContact O-N 3.15Å; I429-N437 CarbonylContact O-C 3.51Å; I429-N437 WeakPolarHBondContact O-CA 3.48Å; I429-N437 VanDerWaalsContact O-CB 3.26Å; I429-N437 WeakPolarHBondContact O-CB 3.29Å; I429-I438 HydrophobicContact CB-CB 4.34Å; I429-I438 PolarHBondContact N-O 3.07Å; I429-I438 VanDerWaalsContact N-O 3.15Å; I429-I438 PolarHBondContact O-N 3.46Å
430	E	80	Confident	85.1	Confident	168 Å²	168	69.5 Å²	69.5	79%	0.785	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-55.1	116.6	169.8	-65.3	-179	163.7	0	0	110.3
431	G	70.4	Confident	84.9	Confident	30 Å²	30	71.4 Å²	71.4	31%	0.309	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-73	173.6	177.3	0	0	0	0	0	113.2	I429	I429-G431 PolarHBondContact O-N 3.15Å
432	D	72.4	Confident	84.6	Confident	110 Å²	110	74.2 Å²	74.2	59%	0.588	39%	0.394	S	S	*	.	S	Bend	trans	-64.5	162	169.1	-69.7	-48.1	0	0	0	111.4	N434 K435	D432-N434 PolarHBondContact O-N 3.48Å; D432-K435 WeakPolarHBondContact O-CB 3.24Å; D432-K435 PolarHBondContact O-N 2.9Å
433	L	68.1	Low	84	Confident	168 Å²	168	72.8 Å²	72.8	88%	0.88	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	125.9	-177.3	-70	166.5	0	0	0	112	K435	L433-K435 VanDerWaalsContact C-N 3.33Å
434	N	72.2	Confident	83.6	Confident	159 Å²	159	70.9 Å²	70.9	85%	0.85	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	8.9	-174.8	-48.5	-34.8	0	0	0	116.5	D432	D432-N434 PolarHBondContact O-N 3.48Å
435	K	80.1	Confident	83.3	Confident	105 Å²	105	72.1 Å²	72.1	46%	0.457	39%	0.392	S	S	.	.	S	Bend	trans	-101.3	151.3	167.9	-65.7	-162.4	167.8	-157.9	0	111.4	D432 L433 E450	D432-K435 WeakPolarHBondContact O-CB 3.24Å; D432-K435 PolarHBondContact O-N 2.9Å; L433-K435 VanDerWaalsContact C-N 3.33Å; K435-E450 WeakPolarHBondContact CE-OE2 3.5Å; K435-E450 IonicContact NZ-OE2 2.64Å; K435-E450 PolarHBondContact NZ-OE2 3.01Å
436	P	84.3	Confident	83.3	Confident	39 Å²	39	69.3 Å²	69.3	25%	0.253	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-67.5	170.6	171.3	31.3	-37.1	0	0	0	110.9	S448 W476	P436-S448 WeakPolarHBondContact CG-OG 3.36Å; P436-W476 HydrophobicContact CG-CD2 3.75Å; P436-W476 HydrophobicContact CG-CE3 3.77Å; P436-W476 HydrophobicContact CG-CG 4.25Å; P436-W476 HydrophobicContact CG-CH2 4.27Å; P436-W476 HydrophobicContact CG-CZ2 4.3Å; P436-W476 HydrophobicContact CG-CZ3 4.02Å
437	N	88.3	Confident	83.2	Confident	72 Å²	72	70.2 Å²	70.2	39%	0.385	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-65.2	144.8	171	-68.7	-9.7	0	0	0	110.7	I429 E439	I429-N437 CarbonylContact O-C 3.51Å; I429-N437 WeakPolarHBondContact O-CA 3.48Å; I429-N437 VanDerWaalsContact O-CB 3.26Å; I429-N437 WeakPolarHBondContact O-CB 3.29Å; N437-E439 HydrophobicContact CB-CG 4.38Å; N437-E439 PolarHBondContact O-N 3.15Å
438	I	89.7	Confident	83.2	Confident	28 Å²	28	70.8 Å²	70.8	14%	0.144	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-72.5	114.3	170.7	-55.9	176	0	0	0	107.3	N376 I380 S428 I429 F440 L446	N376-I438 HydrophobicContact CB-CD1 4.2Å; I380-I438 HydrophobicContact CD1-CG2 4.4Å; S428-I438 WeakPolarHBondContact CA-O 3.49Å; I429-I438 HydrophobicContact CB-CB 4.34Å; I429-I438 PolarHBondContact N-O 3.07Å; I429-I438 VanDerWaalsContact N-O 3.15Å; I429-I438 PolarHBondContact O-N 3.46Å; I438-F440 HydrophobicContact CG2-CE2 4.41Å; I438-F440 HydrophobicContact CG2-CZ 4.23Å; I438-L446 HydrophobicContact CG2-CD2 3.79Å
439	E	91.5	Very high	83.2	Confident	59 Å²	59	67.5 Å²	67.5	28%	0.276	36%	0.357	S	S	.	.			trans	-136.3	152.4	178.9	-67.6	-179.1	-175.3	0	0	109.3	N437 R447	N437-E439 HydrophobicContact CB-CG 4.38Å; N437-E439 PolarHBondContact O-N 3.15Å; E439-R447 HydrophobicContact CB-CB 4.15Å; E439-R447 WeakPolarHBondContact O-CB 3.46Å; E439-R447 PolarHBondContact O-N 2.92Å; E439-R447 VanDerWaalsContact OE2-CD 3.3Å; E439-R447 WeakPolarHBondContact OE2-CD 3.23Å; E439-R447 IonicContact OE2-CZ 3.41Å; E439-R447 IonicContact OE2-NE 2.73Å; E439-R447 IonicContact OE2-NH1 2.85Å; E439-R447 PolarHBondContact OE2-NH1 3.46Å
440	F	90.5	Very high	83.5	Confident	20 Å²	20	70.5 Å²	70.5	9%	0.088	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-111.7	154.8	-179.4	-59.3	-83.5	0	0	0	113.4	L230 L232 I380 R425 I438 G444 D445 L446	L230-F440 HydrophobicContact CB-CD1 4.4Å; L230-F440 HydrophobicContact CB-CE1 4.07Å; L230-F440 HydrophobicContact CB-CZ 4.41Å; L230-F440 HydrophobicContact CD1-CD2 4.2Å; L230-F440 HydrophobicContact CD1-CE1 4.39Å; L230-F440 HydrophobicContact CD1-CE2 3.96Å; L230-F440 HydrophobicContact CD1-CZ 4.06Å; L230-F440 HydrophobicContact CD2-CB 4.47Å; L230-F440 HydrophobicContact CD2-CD1 4.14Å; L230-F440 HydrophobicContact CD2-CD2 4.49Å; L230-F440 HydrophobicContact CD2-CG 4.1Å; L232-F440 HydrophobicContact CD2-CE1 3.92Å; L232-F440 HydrophobicContact CD2-CZ 3.82Å; I380-F440 HydrophobicContact CD1-CE2 4.37Å; I380-F440 HydrophobicContact CD1-CZ 3.86Å; I380-F440 HydrophobicContact CG1-CE2 4.48Å; I380-F440 HydrophobicContact CG1-CZ 4.45Å; I380-F440 HydrophobicContact CG2-CE2 4.17Å; I380-F440 HydrophobicContact CG2-CZ 4.43Å; R425-F440 HydrophobicContact CG-CB 4.1Å; I438-F440 HydrophobicContact CG2-CE2 4.41Å; I438-F440 HydrophobicContact CG2-CZ 4.23Å; F440-G444 WeakPolarHBondContact CD1-O 3.43Å; F440-D445 CarbonylContact C-O 3.53Å; F440-D445 WeakPolarHBondContact CA-O 3.48Å; F440-L446 HydrophobicContact CD1-CD2 4.22Å; F440-L446 HydrophobicContact CE1-CD2 3.78Å; F440-L446 HydrophobicContact CZ-CD2 4.3Å
441	T	87.7	Confident	84.1	Confident	39 Å²	39	62.5 Å²	62.5	24%	0.239	33%	0.334	C	S	.	.			trans	-71.7	177.3	169.6	65.2	0	0	0	0	111.4	R425 D443 G444 D445	R425-T441 WeakPolarHBondContact CD-O 3.28Å; T441-D443 PolarHBondContact O-N 2.74Å; T441-D443 PolarHBondContact OG1-N 2.89Å; T441-G444 PolarHBondContact O-N 3.04Å; T441-G444 PolarHBondContact OG1-N 3.28Å; T441-D445 HydrophobicContact CG2-CB 4.34Å; T441-D445 PolarHBondContact N-O 3.45Å; T441-D445 PolarHBondContact OG1-N 3.1Å; T441-D445 PolarHBondContact OG1-O 2.94Å
442	A	83.6	Confident	85.1	Confident	71 Å²	71	63.7 Å²	63.7	59%	0.587	33%	0.33	S	S	*	.	S	Bend	trans	-60.3	-31.4	171	0	0	0	0	0	111.7	R425	R425-A442 VanDerWaalsContact CD-O 3.25Å; R425-A442 WeakPolarHBondContact CD-O 3.26Å; R425-A442 PolarHBondContact NH1-O 2.86Å
443	D	77.9	Confident	86.2	Confident	102 Å²	102	58.5 Å²	58.5	55%	0.545	30%	0.302	S	S	.	.	S	Bend	trans	-90.3	-16.6	-172.1	-49.5	-78	0	0	0	112.1	R221 T441	R221-D443 PolarHBondContact NE-O 2.96Å; R221-D443 PolarHBondContact NH1-O 2.89Å; R221-D443 PolarHBondContact NH2-O 3.48Å; R221-D443 VanDerWaalsContact NH2-O 3.16Å; T441-D443 PolarHBondContact O-N 2.74Å; T441-D443 PolarHBondContact OG1-N 2.89Å
444	G	83.1	Confident	87.3	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	107.8	6.5	170.7	0	0	0	0	0	115.3	L230 Q231 F440 T441	L230-G444 WeakPolarHBondContact CA-O 3.41Å; Q231-G444 PolarHBondContact N-O 2.88Å; F440-G444 WeakPolarHBondContact CD1-O 3.43Å; T441-G444 PolarHBondContact O-N 3.04Å; T441-G444 PolarHBondContact OG1-N 3.28Å
445	D	85.6	Confident	88.3	Confident	27 Å²	27	43.1 Å²	43.1	14%	0.144	22%	0.221	C	C	.	.	S	Bend	trans	-78.6	160.9	170.2	-83.9	-14.3	0	0	0	111.7	Q231 S235 F440 T441 R447	Q231-D445 PolarHBondContact NE2-OD1 3.08Å; Q231-D445 VanDerWaalsContact NE2-OD1 3.14Å; S235-D445 WeakPolarHBondContact CB-OD2 3.07Å; S235-D445 PolarHBondContact OG-OD2 3.23Å; F440-D445 CarbonylContact C-O 3.53Å; F440-D445 WeakPolarHBondContact CA-O 3.48Å; T441-D445 HydrophobicContact CG2-CB 4.34Å; T441-D445 PolarHBondContact N-O 3.45Å; T441-D445 PolarHBondContact OG1-N 3.1Å; T441-D445 PolarHBondContact OG1-O 2.94Å; D445-R447 PolarHBondContact O-N 3.08Å
446	L	88.6	Confident	88.8	Confident	26 Å²	26	38.1 Å²	38.1	14%	0.136	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-60.1	135.4	168.6	-70.8	-173.6	0	0	0	111.5	L232 H238 I438 F440 S448	L232-L446 HydrophobicContact CD2-CD2 4.13Å; L232-L446 WeakPolarHBondContact O-CD1 3.48Å; H238-L446 PolarHBondContact CE1-O 2.69Å; H238-L446 PolarHBondContact NE2-O 3.18Å; I438-L446 HydrophobicContact CG2-CD2 3.79Å; F440-L446 HydrophobicContact CD1-CD2 4.22Å; F440-L446 HydrophobicContact CE1-CD2 3.78Å; F440-L446 HydrophobicContact CZ-CD2 4.3Å; L446-S448 VanDerWaalsContact C-N 3.26Å; L446-S448 PolarHBondContact O-N 3.04Å
447	R	89.1	Confident	89	Confident	161 Å²	161	40 Å²	40	61%	0.608	20%	0.201	S	C	*	.	S	Bend	trans	-71.6	-20.2	173.3	-168.1	-178.7	-176.6	-168.4	2.1	113.4	E439 D445	E439-R447 HydrophobicContact CB-CB 4.15Å; E439-R447 WeakPolarHBondContact O-CB 3.46Å; E439-R447 PolarHBondContact O-N 2.92Å; E439-R447 VanDerWaalsContact OE2-CD 3.3Å; E439-R447 WeakPolarHBondContact OE2-CD 3.23Å; E439-R447 IonicContact OE2-CZ 3.41Å; E439-R447 IonicContact OE2-NE 2.73Å; E439-R447 IonicContact OE2-NH1 2.85Å; E439-R447 PolarHBondContact OE2-NH1 3.46Å; D445-R447 PolarHBondContact O-N 3.08Å
448	S	89.7	Confident	88.8	Confident	22 Å²	22	39.1 Å²	39.1	15%	0.154	20%	0.2	C	C	.	.	S	Bend	trans	-146.4	100.2	-170.7	58.4	0	0	0	0	112	P436 L446	P436-S448 WeakPolarHBondContact CG-OG 3.36Å; L446-S448 VanDerWaalsContact C-N 3.26Å; L446-S448 PolarHBondContact O-N 3.04Å
449	A	89.6	Confident	88.4	Confident	4 Å²	4	40 Å²	40	3%	0.033	21%	0.209	C	C	.	.			trans	-101.1	156.3	174.5	0	0	0	0	0	114	P234 H238 S475 W476	P234-A449 HydrophobicContact CB-CB 3.76Å; P234-A449 HydrophobicContact CG-CB 3.96Å; H238-A449 HydrophobicContact CB-CB 4.14Å; H238-A449 WeakPolarHBondContact CD2-CB 3.23Å; A449-S475 PolarHBondContact O-N 2.82Å; A449-S475 VanDerWaalsContact O-N 3.14Å; A449-W476 WeakPolarHBondContact O-CZ3 3.37Å
450	E	90.6	Very high	87.4	Confident	70 Å²	70	42 Å²	42	33%	0.327	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.4	170.2	-178	173.1	-136.9	0	0	108	K435 V472 W473 K474 W476	K435-E450 WeakPolarHBondContact CE-OE2 3.5Å; K435-E450 IonicContact NZ-OE2 2.64Å; K435-E450 PolarHBondContact NZ-OE2 3.01Å; E450-V472 HydrophobicContact CG-CG1 3.65Å; E450-W473 WeakPolarHBondContact CA-O 3.43Å; E450-K474 HydrophobicContact CG-CG 4.2Å; E450-W476 HydrophobicContact CB-CH2 3.98Å; E450-W476 HydrophobicContact CB-CZ3 4.2Å
451	L	92.9	Very high	86.3	Confident	1 Å²	1	48 Å²	48	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.6	-176.7	-69.4	174.9	0	0	0	109.9	P234 H238 Q239 A242 V361 F363 V472 W473	P234-L451 HydrophobicContact CB-CD2 3.67Å; P234-L451 HydrophobicContact CB-CG 4.38Å; P234-L451 HydrophobicContact CG-CD2 3.69Å; H238-L451 HydrophobicContact CB-CD1 4.07Å; H238-L451 VanDerWaalsContact O-CD1 3.27Å; H238-L451 WeakPolarHBondContact O-CD1 3.39Å; Q239-L451 HydrophobicContact CG-CD1 4.39Å; A242-L451 HydrophobicContact CB-CD1 3.76Å; V361-L451 HydrophobicContact CG1-CB 4.15Å; V361-L451 HydrophobicContact CG1-CD1 3.82Å; V361-L451 HydrophobicContact CG1-CD2 4.43Å; V361-L451 HydrophobicContact CG1-CG 4.37Å; F363-L451 HydrophobicContact CB-CD2 3.85Å; F363-L451 HydrophobicContact CD1-CD2 4.2Å; F363-L451 HydrophobicContact CG-CD2 4.46Å; L451-V472 CarbonylContact O-C 3.59Å; L451-V472 WeakPolarHBondContact O-CA 3.37Å; L451-V472 WeakPolarHBondContact O-CG1 3.19Å; L451-W473 HydrophobicContact CB-CB 4.34Å; L451-W473 HydrophobicContact CB-CE3 4.07Å; L451-W473 HydrophobicContact CD1-CE3 3.83Å; L451-W473 HydrophobicContact CD1-CZ3 3.97Å; L451-W473 HydrophobicContact CG-CE3 4.05Å; L451-W473 HydrophobicContact CG-CZ3 4.39Å; L451-W473 PolarHBondContact N-O 2.77Å; L451-W473 PolarHBondContact O-N 3.49Å
452	K	92.4	Very high	85.1	Confident	55 Å²	55	51.3 Å²	51.3	24%	0.239	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	140.2	174.9	-69.9	169	176.9	-86.4	0	109.4	H362 M454 E469	H362-K452 HydrophobicContact CB-CB 4.49Å; H362-K452 PolarHBondContact N-O 3.18Å; H362-K452 PolarHBondContact O-N 3.24Å; K452-M454 HydrophobicContact CB-SD 4.32Å; K452-E469 HydrophobicContact CB-CG 4.47Å; K452-E469 HydrophobicContact CG-CG 4.48Å; K452-E469 IonicContact NZ-OE1 2.73Å; K452-E469 PolarHBondContact NZ-OE1 2.87Å; K452-E469 IonicContact NZ-OE2 3.17Å; K452-E469 PolarHBondContact NZ-OE2 3.09Å
453	I	93.9	Very high	84.2	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126.9	172.4	-48.3	-56	0	0	0	108.2	I246 G360 V361 I470 G471 W473 L481 I483	I246-I453 HydrophobicContact CD1-CD1 4.36Å; I246-I453 HydrophobicContact CD1-CG2 4.21Å; G360-I453 WeakPolarHBondContact O-CA 3.05Å; V361-I453 HydrophobicContact CG2-CD1 4.2Å; I453-I470 HydrophobicContact CB-CG1 4.26Å; I453-I470 HydrophobicContact CG2-CD1 3.83Å; I453-I470 HydrophobicContact CG2-CG1 4.02Å; I453-I470 WeakPolarHBondContact O-CG1 3.33Å; I453-I470 PolarHBondContact O-N 3.31Å; I453-G471 PolarHBondContact N-O 2.74Å; I453-G471 PolarHBondContact O-N 2.69Å; I453-W473 HydrophobicContact CD1-CB 4.16Å; I453-L481 HydrophobicContact CD1-CD1 4.27Å; I453-L481 HydrophobicContact CG1-CD1 3.87Å; I453-I483 HydrophobicContact CB-CD1 4.43Å; I453-I483 HydrophobicContact CB-CG1 4.36Å; I453-I483 HydrophobicContact CG1-CD1 4.31Å; I453-I483 HydrophobicContact CG1-CG1 4.29Å; I453-I483 HydrophobicContact CG2-CD1 4.02Å; I453-I483 HydrophobicContact CG2-CG1 4.41Å
454	M	92.1	Very high	84.3	Confident	4 Å²	4	57.4 Å²	57.4	2%	0.02	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	147.1	-177.1	-51.6	-58.8	-65.3	0	0	110.1	L359 G360 H362 K452 W467 E468 E469	L359-M454 WeakPolarHBondContact CA-O 3.35Å; G360-M454 PolarHBondContact N-O 3.04Å; G360-M454 PolarHBondContact O-N 2.65Å; H362-M454 HydrophobicContact CB-CG 3.53Å; H362-M454 HydrophobicContact CB-SD 4.22Å; K452-M454 HydrophobicContact CB-SD 4.32Å; M454-W467 HydrophobicContact CB-CB 4.42Å; M454-W467 HydrophobicContact CB-CD2 4.48Å; M454-W467 HydrophobicContact CB-CE3 3.72Å; M454-W467 HydrophobicContact CB-CZ3 4.39Å; M454-W467 HydrophobicContact CE-CB 3.93Å; M454-W467 WeakPolarHBondContact CE-O 3.47Å; M454-E468 CarbonylContact C-O 3.58Å; M454-E468 VanDerWaalsContact CA-O 3.28Å; M454-E468 WeakPolarHBondContact CA-O 3.43Å; M454-E469 HydrophobicContact CE-CB 4.22Å; M454-E469 HydrophobicContact SD-CB 3.98Å; M454-E469 HydrophobicContact SD-CG 4.34Å
455	N	92.9	Very high	84.4	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.1	168.8	-171.8	-18.7	0	0	0	109.8	M358 L359 W467 E468 I470 I486 A487	M358-N455 WeakPolarHBondContact O-CA 3.43Å; M358-N455 PolarHBondContact O-OD1 2.97Å; L359-N455 HydrophobicContact CD2-CB 4.4Å; N455-W467 WeakPolarHBondContact O-CA 3.32Å; N455-E468 PolarHBondContact N-O 2.76Å; N455-E468 PolarHBondContact O-N 3.47Å; N455-I470 HydrophobicContact CB-CD1 3.76Å; N455-I470 HydrophobicContact CB-CG1 4.11Å; N455-I470 HydrophobicContact CB-CG2 3.62Å; N455-I486 WeakPolarHBondContact ND2-CG2 3.35Å; N455-A487 PolarHBondContact ND2-N 2.88Å; N455-A487 PolarHBondContact ND2-O 2.91Å; N455-A487 PolarHBondContact OD1-O 3.05Å
456	L	90.9	Very high	84.6	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	108.1	173.5	-170.3	63	0	0	0	112.1	A350 F354 G357 M358 L465 W467	A350-L456 HydrophobicContact CB-CD1 3.4Å; A350-L456 VanDerWaalsContact CB-CD1 3.4Å; A350-L456 HydrophobicContact CB-CD2 4.37Å; F354-L456 HydrophobicContact CB-CD2 3.31Å; F354-L456 HydrophobicContact CD2-CD2 4.17Å; F354-L456 HydrophobicContact CG-CD2 4.26Å; G357-L456 PolarHBondContact N-O 2.61Å; M358-L456 HydrophobicContact CB-CB 4.08Å; M358-L456 PolarHBondContact O-N 3.04Å; M358-L456 HydrophobicContact SD-CD2 4.24Å; L456-L465 HydrophobicContact CD1-CB 3.78Å; L456-L465 HydrophobicContact CD2-CB 4.41Å; L456-L465 HydrophobicContact CD2-CD1 4.2Å; L456-L465 HydrophobicContact CG-CB 4.14Å; L456-W467 HydrophobicContact CB-CD2 4.27Å; L456-W467 HydrophobicContact CB-CE3 3.91Å; L456-W467 HydrophobicContact CB-CH2 4.06Å; L456-W467 HydrophobicContact CB-CZ2 4.39Å; L456-W467 HydrophobicContact CB-CZ3 3.81Å; L456-W467 HydrophobicContact CD1-CD2 3.99Å; L456-W467 HydrophobicContact CD1-CE3 4.45Å; L456-W467 HydrophobicContact CD1-CG 4.18Å; L456-W467 HydrophobicContact CD2-CZ2 4.45Å
457	R	87.6	Confident	84.6	Confident	77 Å²	77	57.8 Å²	57.8	29%	0.291	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	152.8	179.9	49.5	-178	-93.7	-156.6	-27.7	112.6	V466 E468	R457-V466 PolarHBondContact N-O 3.42Å; R457-V466 VanDerWaalsContact N-O 3.15Å; R457-V466 PolarHBondContact O-N 3Å; R457-E468 HydrophobicContact CG-CB 4.17Å; R457-E468 IonicContact CZ-OE1 3.92Å; R457-E468 IonicContact CZ-OE2 2.8Å; R457-E468 IonicContact NE-OE1 3.13Å; R457-E468 IonicContact NE-OE2 3.04Å; R457-E468 PolarHBondContact NE-OE2 3.15Å; R457-E468 IonicContact NH1-OE1 2.71Å; R457-E468 PolarHBondContact NH1-OE1 3.47Å; R457-E468 IonicContact NH1-OE2 3.12Å; R457-E468 IonicContact NH2-OE1 2.95Å; R457-E468 PolarHBondContact NH2-OE1 2.92Å; R457-E468 IonicContact NH2-OE2 2.75Å; R457-E468 PolarHBondContact NH2-OE2 2.95Å
458	P	84.8	Confident	84.7	Confident	54 Å²	54	53.9 Å²	53.9	35%	0.351	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	139.6	170.5	27.6	-34.5	0	0	0	110.8	L465	P458-L465 HydrophobicContact CB-CD2 4.27Å
459	S	80.9	Confident	84.7	Confident	48 Å²	48	57 Å²	57	34%	0.336	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	139.8	175.3	-172.2	0	0	0	0	111.2	N461 N462 N464	S459-N461 PolarHBondContact O-N 3.01Å; S459-N461 VanDerWaalsContact O-N 3.09Å; S459-N462 PolarHBondContact O-N 3.42Å; S459-N464 WeakPolarHBondContact CB-O 3.31Å; S459-N464 PolarHBondContact N-O 2.9Å
460	A	70.6	Confident	84.8	Confident	99 Å²	99	57.6 Å²	57.6	82%	0.818	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.7	-179.7	0	0	0	0	0	114
461	N	67.6	Low	84.9	Confident	147 Å²	147	54.9 Å²	54.9	79%	0.786	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-8.4	-173.3	-65.1	-15.1	0	0	0	114.3	S459	S459-N461 PolarHBondContact O-N 3.01Å; S459-N461 VanDerWaalsContact O-N 3.09Å
462	N	62.7	Low	84.9	Confident	108 Å²	108	56.8 Å²	56.8	58%	0.578	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.6	152.1	-176	-93.7	-34.9	0	0	0	110.3	S459 N464	S459-N462 PolarHBondContact O-N 3.42Å; N462-N464 HydrophobicContact CB-CB 4.36Å; N462-N464 PolarHBondContact O-N 3.09Å
463	K	65.3	Low	85	Confident	203 Å²	203	54.2 Å²	54.2	88%	0.883	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	11.3	172	-67.6	-167.3	174.9	-172.1	0	114.6
464	N	79.1	Confident	84.9	Confident	98 Å²	98	56.5 Å²	56.5	52%	0.524	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	140.7	178.8	-63.3	14.8	0	0	0	109.3	S459 N462	S459-N464 WeakPolarHBondContact CB-O 3.31Å; S459-N464 PolarHBondContact N-O 2.9Å; N462-N464 HydrophobicContact CB-CB 4.36Å; N462-N464 PolarHBondContact O-N 3.09Å
465	L	85.9	Confident	84.7	Confident	21 Å²	21	57.9 Å²	57.9	11%	0.11	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	136	176.6	-58	174.9	0	0	0	109.6	A350 F354 V356 L456 P458	A350-L465 HydrophobicContact CB-CB 4.18Å; A350-L465 PolarHBondContact N-O 2.83Å; F354-L465 WeakPolarHBondContact O-CD1 3.47Å; V356-L465 HydrophobicContact CG2-CD2 3.81Å; L456-L465 HydrophobicContact CD1-CB 3.78Å; L456-L465 HydrophobicContact CD2-CB 4.41Å; L456-L465 HydrophobicContact CD2-CD1 4.2Å; L456-L465 HydrophobicContact CG-CB 4.14Å; P458-L465 HydrophobicContact CB-CD2 4.27Å
466	V	89.1	Confident	84.4	Confident	35 Å²	35	61.7 Å²	61.7	21%	0.212	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	136.8	-175.7	179.5	0	0	0	0	109.6	K348 R457 E468	K348-V466 WeakPolarHBondContact O-CA 3.49Å; R457-V466 PolarHBondContact N-O 3.42Å; R457-V466 VanDerWaalsContact N-O 3.15Å; R457-V466 PolarHBondContact O-N 3Å; V466-E468 PolarHBondContact O-N 2.93Å
467	W	89.5	Confident	84.1	Confident	5 Å²	5	65.2 Å²	65.2	2%	0.019	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	113.3	171.6	-69.2	106.1	0	0	0	110.3	V340 I345 K348 F354 M358 M454 N455 L456	V340-W467 HydrophobicContact CG2-CH2 3.77Å; V340-W467 HydrophobicContact CG2-CZ2 4.26Å; I345-W467 HydrophobicContact CG1-CZ2 4.28Å; I345-W467 HydrophobicContact CG2-CD2 4.26Å; I345-W467 HydrophobicContact CG2-CG 4.05Å; K348-W467 PolarHBondContact O-N 3.45Å; F354-W467 HydrophobicContact CD2-CZ2 4.39Å; M358-W467 HydrophobicContact CB-CH2 3.92Å; M358-W467 HydrophobicContact CB-CZ3 4.33Å; M358-W467 HydrophobicContact CE-CH2 4.41Å; M454-W467 HydrophobicContact CB-CB 4.42Å; M454-W467 HydrophobicContact CB-CD2 4.48Å; M454-W467 HydrophobicContact CB-CE3 3.72Å; M454-W467 HydrophobicContact CB-CZ3 4.39Å; M454-W467 HydrophobicContact CE-CB 3.93Å; M454-W467 WeakPolarHBondContact CE-O 3.47Å; N455-W467 WeakPolarHBondContact O-CA 3.32Å; L456-W467 HydrophobicContact CB-CD2 4.27Å; L456-W467 HydrophobicContact CB-CE3 3.91Å; L456-W467 HydrophobicContact CB-CH2 4.06Å; L456-W467 HydrophobicContact CB-CZ2 4.39Å; L456-W467 HydrophobicContact CB-CZ3 3.81Å; L456-W467 HydrophobicContact CD1-CD2 3.99Å; L456-W467 HydrophobicContact CD1-CE3 4.45Å; L456-W467 HydrophobicContact CD1-CG 4.18Å; L456-W467 HydrophobicContact CD2-CZ2 4.45Å
468	E	89.8	Confident	83.2	Confident	79 Å²	79	68.9 Å²	68.9	37%	0.369	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	142	178	-163	165.6	126	0	0	111.3	M454 N455 R457 V466 I470	M454-E468 CarbonylContact C-O 3.58Å; M454-E468 VanDerWaalsContact CA-O 3.28Å; M454-E468 WeakPolarHBondContact CA-O 3.43Å; N455-E468 PolarHBondContact N-O 2.76Å; N455-E468 PolarHBondContact O-N 3.47Å; R457-E468 HydrophobicContact CG-CB 4.17Å; R457-E468 IonicContact CZ-OE1 3.92Å; R457-E468 IonicContact CZ-OE2 2.8Å; R457-E468 IonicContact NE-OE1 3.13Å; R457-E468 IonicContact NE-OE2 3.04Å; R457-E468 PolarHBondContact NE-OE2 3.15Å; R457-E468 IonicContact NH1-OE1 2.71Å; R457-E468 PolarHBondContact NH1-OE1 3.47Å; R457-E468 IonicContact NH1-OE2 3.12Å; R457-E468 IonicContact NH2-OE1 2.95Å; R457-E468 PolarHBondContact NH2-OE1 2.92Å; R457-E468 IonicContact NH2-OE2 2.75Å; R457-E468 PolarHBondContact NH2-OE2 2.95Å; V466-E468 PolarHBondContact O-N 2.93Å; E468-I470 PolarHBondContact O-N 2.7Å
469	E	91.2	Very high	82.6	Confident	89 Å²	89	73.6 Å²	73.6	42%	0.416	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	109.9	-177	-175.4	175.5	160.5	0	0	110.4	K452 M454	K452-E469 HydrophobicContact CB-CG 4.47Å; K452-E469 HydrophobicContact CG-CG 4.48Å; K452-E469 IonicContact NZ-OE1 2.73Å; K452-E469 PolarHBondContact NZ-OE1 2.87Å; K452-E469 IonicContact NZ-OE2 3.17Å; K452-E469 PolarHBondContact NZ-OE2 3.09Å; M454-E469 HydrophobicContact CE-CB 4.22Å; M454-E469 HydrophobicContact SD-CB 3.98Å; M454-E469 HydrophobicContact SD-CG 4.34Å
470	I	91.8	Very high	82.5	Confident	16 Å²	16	75 Å²	75	8%	0.082	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-13.6	-175	51.5	161.6	0	0	0	113.6	L359 I453 N455 E468 I483 R484 I486	L359-I470 HydrophobicContact CD2-CD1 3.81Å; I453-I470 HydrophobicContact CB-CG1 4.26Å; I453-I470 HydrophobicContact CG2-CD1 3.83Å; I453-I470 HydrophobicContact CG2-CG1 4.02Å; I453-I470 WeakPolarHBondContact O-CG1 3.33Å; I453-I470 PolarHBondContact O-N 3.31Å; N455-I470 HydrophobicContact CB-CD1 3.76Å; N455-I470 HydrophobicContact CB-CG1 4.11Å; N455-I470 HydrophobicContact CB-CG2 3.62Å; E468-I470 PolarHBondContact O-N 2.7Å; I470-I483 HydrophobicContact CB-CG2 4.14Å; I470-I483 HydrophobicContact CD1-CG2 3.71Å; I470-I483 HydrophobicContact CG1-CG2 4.09Å; I470-I483 WeakPolarHBondContact O-CA 3.41Å; I470-R484 PolarHBondContact O-N 3.33Å; I470-I486 HydrophobicContact CD1-CD1 4.29Å; I470-I486 HydrophobicContact CD1-CG1 4.07Å
471	G	92.3	Very high	83.3	Confident	12 Å²	12	71 Å²	71	12%	0.124	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.2	177.1	-174.3	0	0	0	0	0	114.6	I453 D482	I453-G471 PolarHBondContact N-O 2.74Å; I453-G471 PolarHBondContact O-N 2.69Å; G471-D482 CarbonylContact C-O 3.52Å; G471-D482 WeakPolarHBondContact CA-O 3.2Å
472	V	92.4	Very high	84.2	Confident	41 Å²	41	67.7 Å²	67.7	25%	0.248	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	134.8	178.7	-174	0	0	0	0	109.5	E450 L451 K474 D482	E450-V472 HydrophobicContact CG-CG1 3.65Å; L451-V472 CarbonylContact O-C 3.59Å; L451-V472 WeakPolarHBondContact O-CA 3.37Å; L451-V472 WeakPolarHBondContact O-CG1 3.19Å; V472-K474 HydrophobicContact CG1-CG 4.19Å; V472-D482 PolarHBondContact N-O 2.83Å; V472-D482 PolarHBondContact O-N 3.02Å; V472-D482 VanDerWaalsContact O-N 3.15Å
473	W	94	Very high	85.3	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.008	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139.7	168.3	179.9	91.3	0	0	0	110.6	H238 A241 A242 S245 E450 L451 I453 K480 L481	H238-W473 HydrophobicContact CB-CH2 4.45Å; H238-W473 HydrophobicContact CB-CZ3 4.29Å; A241-W473 HydrophobicContact CB-CH2 4.15Å; A241-W473 HydrophobicContact CB-CZ2 3.73Å; A242-W473 HydrophobicContact CB-CB 4.22Å; A242-W473 HydrophobicContact CB-CD2 3.74Å; A242-W473 HydrophobicContact CB-CE3 4.17Å; A242-W473 HydrophobicContact CB-CG 3.78Å; S245-W473 PolarHBondContact OG-NE1 3.11Å; E450-W473 WeakPolarHBondContact CA-O 3.43Å; L451-W473 HydrophobicContact CB-CB 4.34Å; L451-W473 HydrophobicContact CB-CE3 4.07Å; L451-W473 HydrophobicContact CD1-CE3 3.83Å; L451-W473 HydrophobicContact CD1-CZ3 3.97Å; L451-W473 HydrophobicContact CG-CE3 4.05Å; L451-W473 HydrophobicContact CG-CZ3 4.39Å; L451-W473 PolarHBondContact N-O 2.77Å; L451-W473 PolarHBondContact O-N 3.49Å; I453-W473 HydrophobicContact CD1-CB 4.16Å; W473-K480 CarbonylContact C-O 3.48Å; W473-K480 WeakPolarHBondContact CA-O 3.43Å; W473-L481 HydrophobicContact CB-CD1 3.86Å; W473-L481 HydrophobicContact CG-CD1 4.4Å
474	K	92	Very high	86	Confident	48 Å²	48	62 Å²	62	21%	0.209	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	128.1	177.6	-62.3	164.9	-174.4	167.2	0	109.8	E450 V472 W476 E477 K480	E450-K474 HydrophobicContact CG-CG 4.2Å; V472-K474 HydrophobicContact CG1-CG 4.19Å; K474-W476 HydrophobicContact CB-CD2 4.13Å; K474-W476 HydrophobicContact CB-CE3 4.11Å; K474-W476 HydrophobicContact CB-CH2 4.17Å; K474-W476 HydrophobicContact CB-CZ2 4.12Å; K474-W476 HydrophobicContact CB-CZ3 4.16Å; K474-W476 HydrophobicContact CD-CH2 4.33Å; K474-W476 HydrophobicContact CD-CZ2 3.8Å; K474-W476 HydrophobicContact CG-CH2 3.98Å; K474-W476 HydrophobicContact CG-CZ2 3.94Å; K474-W476 HydrophobicContact CG-CZ3 4.41Å; K474-W476 PolarHBondContact O-N 2.95Å; K474-E477 HydrophobicContact CB-CG 4.33Å; K474-E477 HydrophobicContact CD-CG 3.91Å; K474-E477 VanDerWaalsContact CD-OE1 3.27Å; K474-E477 WeakPolarHBondContact CD-OE1 3.46Å; K474-E477 VanDerWaalsContact CD-OE2 3.3Å; K474-E477 WeakPolarHBondContact CD-OE2 3.23Å; K474-E477 IonicContact NZ-OE1 2.81Å; K474-E477 PolarHBondContact NZ-OE1 3.03Å; K474-E477 IonicContact NZ-OE2 2.9Å; K474-E477 PolarHBondContact NZ-OE2 3.03Å; K474-K480 PolarHBondContact N-O 3.45Å
475	S	89.4	Confident	86.1	Confident	32 Å²	32	62.9 Å²	62.9	22%	0.224	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-29.9	-176.6	-167.7	0	0	0	0	113.7	A449 K480	A449-S475 PolarHBondContact O-N 2.82Å; A449-S475 VanDerWaalsContact O-N 3.14Å; S475-K480 VanDerWaalsContact O-CE 3.27Å; S475-K480 WeakPolarHBondContact O-CE 3.4Å; S475-K480 PolarHBondContact O-NZ 3.15Å
476	W	86.4	Confident	86.2	Confident	82 Å²	82	62.4 Å²	62.4	31%	0.311	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-8.8	-167.7	68.5	85.1	0	0	0	116.3	P436 A449 E450 K474	P436-W476 HydrophobicContact CG-CD2 3.75Å; P436-W476 HydrophobicContact CG-CE3 3.77Å; P436-W476 HydrophobicContact CG-CG 4.25Å; P436-W476 HydrophobicContact CG-CH2 4.27Å; P436-W476 HydrophobicContact CG-CZ2 4.3Å; P436-W476 HydrophobicContact CG-CZ3 4.02Å; A449-W476 WeakPolarHBondContact O-CZ3 3.37Å; E450-W476 HydrophobicContact CB-CH2 3.98Å; E450-W476 HydrophobicContact CB-CZ3 4.2Å; K474-W476 HydrophobicContact CB-CD2 4.13Å; K474-W476 HydrophobicContact CB-CE3 4.11Å; K474-W476 HydrophobicContact CB-CH2 4.17Å; K474-W476 HydrophobicContact CB-CZ2 4.12Å; K474-W476 HydrophobicContact CB-CZ3 4.16Å; K474-W476 HydrophobicContact CD-CH2 4.33Å; K474-W476 HydrophobicContact CD-CZ2 3.8Å; K474-W476 HydrophobicContact CG-CH2 3.98Å; K474-W476 HydrophobicContact CG-CZ2 3.94Å; K474-W476 HydrophobicContact CG-CZ3 4.41Å; K474-W476 PolarHBondContact O-N 2.95Å
477	E	82.9	Confident	86.1	Confident	74 Å²	74	61.5 Å²	61.5	35%	0.346	31%	0.305	S	S	.	.	S	Bend	trans	-89.8	148.2	-179.7	-67	-172.6	178.9	0	0	111.3	K474 Q479 K480	K474-E477 HydrophobicContact CB-CG 4.33Å; K474-E477 HydrophobicContact CD-CG 3.91Å; K474-E477 VanDerWaalsContact CD-OE1 3.27Å; K474-E477 WeakPolarHBondContact CD-OE1 3.46Å; K474-E477 VanDerWaalsContact CD-OE2 3.3Å; K474-E477 WeakPolarHBondContact CD-OE2 3.23Å; K474-E477 IonicContact NZ-OE1 2.81Å; K474-E477 PolarHBondContact NZ-OE1 3.03Å; K474-E477 IonicContact NZ-OE2 2.9Å; K474-E477 PolarHBondContact NZ-OE2 3.03Å; E477-Q479 VanDerWaalsContact C-N 3.32Å; E477-Q479 PolarHBondContact O-N 2.97Å; E477-K480 WeakPolarHBondContact O-CG 3.25Å; E477-K480 PolarHBondContact O-N 3.36Å
478	T	70.3	Confident	86.1	Confident	153 Å²	153	61.5 Å²	61.5	94%	0.939	31%	0.305	S	S	*	.	S	Bend	trans	-68.2	-33.4	-178.1	50.8	0	0	0	0	112.5
479	Q	70.8	Confident	85.9	Confident	153 Å²	153	58.2 Å²	58.2	72%	0.715	29%	0.29	S	S	*	.	S	Bend	trans	-98.1	90.2	160.5	-69.1	-175.8	-15.3	0	0	107.3	E477 L481	E477-Q479 VanDerWaalsContact C-N 3.32Å; E477-Q479 PolarHBondContact O-N 2.97Å; Q479-L481 PolarHBondContact O-N 3.13Å
480	K	79.3	Confident	85.5	Confident	79 Å²	79	56.4 Å²	56.4	34%	0.343	30%	0.295	S	S	.	.			trans	-60.4	-11.4	-174.2	-67.3	-168.2	175.7	-157.1	0	115.1	W473 K474 S475 E477	W473-K480 CarbonylContact C-O 3.48Å; W473-K480 WeakPolarHBondContact CA-O 3.43Å; K474-K480 PolarHBondContact N-O 3.45Å; S475-K480 VanDerWaalsContact O-CE 3.27Å; S475-K480 WeakPolarHBondContact O-CE 3.4Å; S475-K480 PolarHBondContact O-NZ 3.15Å; E477-K480 WeakPolarHBondContact O-CG 3.25Å; E477-K480 PolarHBondContact O-N 3.36Å
481	L	87.9	Confident	85	Confident	14 Å²	14	60 Å²	60	7%	0.073	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	115.8	-166.6	-171.1	67.9	0	0	0	111.8	S245 I246 R249 I453 W473 Q479 I483	S245-L481 WeakPolarHBondContact O-CD2 3.3Å; I246-L481 HydrophobicContact CG1-CD2 4.02Å; R249-L481 HydrophobicContact CB-CD2 4.07Å; R249-L481 HydrophobicContact CG-CD2 4.43Å; I453-L481 HydrophobicContact CD1-CD1 4.27Å; I453-L481 HydrophobicContact CG1-CD1 3.87Å; W473-L481 HydrophobicContact CB-CD1 3.86Å; W473-L481 HydrophobicContact CG-CD1 4.4Å; Q479-L481 PolarHBondContact O-N 3.13Å; L481-I483 HydrophobicContact CD1-CD1 3.81Å; L481-I483 HydrophobicContact CD1-CG1 3.92Å; L481-I483 HydrophobicContact CD2-CD1 3.75Å; L481-I483 HydrophobicContact CD2-CG1 4.44Å; L481-I483 HydrophobicContact CG-CD1 3.81Å; L481-I483 HydrophobicContact CG-CG1 3.96Å
482	D	86.8	Confident	84.4	Confident	78 Å²	78	61.7 Å²	61.7	42%	0.417	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.3	165.6	-175.5	6.1	0	0	0	108.4	G471 V472 R484	G471-D482 CarbonylContact C-O 3.52Å; G471-D482 WeakPolarHBondContact CA-O 3.2Å; V472-D482 PolarHBondContact N-O 2.83Å; V472-D482 PolarHBondContact O-N 3.02Å; V472-D482 VanDerWaalsContact O-N 3.15Å; D482-R484 IonicContact OD1-CZ 3.23Å; D482-R484 IonicContact OD1-NE 3.21Å; D482-R484 PolarHBondContact OD1-NE 3.48Å; D482-R484 IonicContact OD1-NH2 3.36Å; D482-R484 IonicContact OD2-CZ 2.9Å; D482-R484 IonicContact OD2-NE 2.75Å; D482-R484 PolarHBondContact OD2-NE 3.3Å; D482-R484 IonicContact OD2-NH2 3.7Å; D482-R484 PolarHBondContact OD2-NH2 3.45Å
483	I	86.2	Confident	83.9	Confident	16 Å²	16	66.9 Å²	66.9	8%	0.082	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	141	177.1	-61.7	168.4	0	0	0	108.6	I246 I453 I470 L481 I486	I246-I483 HydrophobicContact CG1-CD1 4.36Å; I453-I483 HydrophobicContact CB-CD1 4.43Å; I453-I483 HydrophobicContact CB-CG1 4.36Å; I453-I483 HydrophobicContact CG1-CD1 4.31Å; I453-I483 HydrophobicContact CG1-CG1 4.29Å; I453-I483 HydrophobicContact CG2-CD1 4.02Å; I453-I483 HydrophobicContact CG2-CG1 4.41Å; I470-I483 HydrophobicContact CB-CG2 4.14Å; I470-I483 HydrophobicContact CD1-CG2 3.71Å; I470-I483 HydrophobicContact CG1-CG2 4.09Å; I470-I483 WeakPolarHBondContact O-CA 3.41Å; L481-I483 HydrophobicContact CD1-CD1 3.81Å; L481-I483 HydrophobicContact CD1-CG1 3.92Å; L481-I483 HydrophobicContact CD2-CD1 3.75Å; L481-I483 HydrophobicContact CD2-CG1 4.44Å; L481-I483 HydrophobicContact CG-CD1 3.81Å; L481-I483 HydrophobicContact CG-CG1 3.96Å; I483-I486 HydrophobicContact CG2-CD1 3.6Å; I483-I486 HydrophobicContact CG2-CG1 3.68Å
484	R	79.8	Confident	83.3	Confident	174 Å²	174	69.7 Å²	69.7	66%	0.657	37%	0.37	S	S	*	.			trans	-137.7	149.8	179.6	-51.3	-178.4	-167.7	-176.2	5.6	110	I470 D482	I470-R484 PolarHBondContact O-N 3.33Å; D482-R484 IonicContact OD1-CZ 3.23Å; D482-R484 IonicContact OD1-NE 3.21Å; D482-R484 PolarHBondContact OD1-NE 3.48Å; D482-R484 IonicContact OD1-NH2 3.36Å; D482-R484 IonicContact OD2-CZ 2.9Å; D482-R484 IonicContact OD2-NE 2.75Å; D482-R484 PolarHBondContact OD2-NE 3.3Å; D482-R484 IonicContact OD2-NH2 3.7Å; D482-R484 PolarHBondContact OD2-NH2 3.45Å
485	D	81.1	Confident	82.7	Confident	117 Å²	117	70.2 Å²	70.2	63%	0.626	38%	0.378	S	S	*	.			trans	49	77.7	176.3	-158.4	19	0	0	0	115.7
486	I	86.5	Confident	82.1	Confident	11 Å²	11	69.5 Å²	69.5	6%	0.056	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-97.1	118.8	175.9	-53.1	-171.3	0	0	0	109.8	Y250 L359 N455 I470 I483 W488	Y250-I486 HydrophobicContact CE2-CD1 4.06Å; Y250-I486 WeakPolarHBondContact OH-CD1 3.28Å; L359-I486 HydrophobicContact CD2-CD1 4.47Å; L359-I486 HydrophobicContact CD2-CG2 4.02Å; N455-I486 WeakPolarHBondContact ND2-CG2 3.35Å; I470-I486 HydrophobicContact CD1-CD1 4.29Å; I470-I486 HydrophobicContact CD1-CG1 4.07Å; I483-I486 HydrophobicContact CG2-CD1 3.6Å; I483-I486 HydrophobicContact CG2-CG1 3.68Å; I486-W488 HydrophobicContact CB-CZ2 4.01Å; I486-W488 HydrophobicContact CD1-CH2 3.91Å; I486-W488 HydrophobicContact CD1-CZ2 3.71Å; I486-W488 HydrophobicContact CG1-CZ2 4.44Å; I486-W488 HydrophobicContact CG2-CD2 3.69Å; I486-W488 VanDerWaalsContact CG2-CE2 3.47Å; I486-W488 HydrophobicContact CG2-CE3 3.97Å; I486-W488 HydrophobicContact CG2-CG 4.26Å; I486-W488 HydrophobicContact CG2-CH2 3.93Å; I486-W488 HydrophobicContact CG2-CZ2 3.64Å; I486-W488 HydrophobicContact CG2-CZ3 4.05Å
487	A	86.9	Confident	81.2	Confident	17 Å²	17	73.9 Å²	73.9	14%	0.14	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-76.3	127.2	156.2	0	0	0	0	0	109.1	G357 N455	G357-A487 VanDerWaalsContact CA-O 3.29Å; G357-A487 WeakPolarHBondContact CA-O 3.38Å; N455-A487 PolarHBondContact ND2-N 2.88Å; N455-A487 PolarHBondContact ND2-O 2.91Å; N455-A487 PolarHBondContact OD1-O 3.05Å
488	W	90.1	Very high	80	Confident	5 Å²	5	70.7 Å²	70.7	2%	0.019	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-99.1	168.7	178.4	-65.6	103.6	0	0	0	111.4	Y250 W252 V337 L359 I486 N491 S492 A494 P495	Y250-W488 HydrophobicContact CD1-CZ2 4.32Å; Y250-W488 HydrophobicContact CD2-CH2 4.19Å; Y250-W488 HydrophobicContact CE1-CH2 4.34Å; Y250-W488 AromaticContact CE1-CZ2 3.82Å; Y250-W488 HydrophobicContact CE1-CZ2 3.82Å; Y250-W488 AromaticContact CE2-CH2 3.97Å; Y250-W488 HydrophobicContact CE2-CH2 3.97Å; Y250-W488 HydrophobicContact CE2-CZ2 4.13Å; Y250-W488 AromaticContact CZ-CZ2 3.74Å; W252-W488 AromaticContact CH2-CH2 3.62Å; W252-W488 HydrophobicContact CH2-CH2 3.62Å; W252-W488 AromaticContact CH2-CZ3 3.59Å; W252-W488 HydrophobicContact CH2-CZ3 3.59Å; W252-W488 HydrophobicContact CZ2-CH2 4.14Å; W252-W488 HydrophobicContact CZ2-CZ3 4.2Å; V337-W488 HydrophobicContact CG1-CZ3 4.28Å; V337-W488 HydrophobicContact CG2-CE3 4.37Å; V337-W488 HydrophobicContact CG2-CZ3 4.33Å; L359-W488 HydrophobicContact CD1-CH2 4.09Å; L359-W488 HydrophobicContact CD1-CZ3 3.9Å; L359-W488 HydrophobicContact CG-CZ3 4.47Å; I486-W488 HydrophobicContact CB-CZ2 4.01Å; I486-W488 HydrophobicContact CD1-CH2 3.91Å; I486-W488 HydrophobicContact CD1-CZ2 3.71Å; I486-W488 HydrophobicContact CG1-CZ2 4.44Å; I486-W488 HydrophobicContact CG2-CD2 3.69Å; I486-W488 VanDerWaalsContact CG2-CE2 3.47Å; I486-W488 HydrophobicContact CG2-CE3 3.97Å; I486-W488 HydrophobicContact CG2-CG 4.26Å; I486-W488 HydrophobicContact CG2-CH2 3.93Å; I486-W488 HydrophobicContact CG2-CZ2 3.64Å; I486-W488 HydrophobicContact CG2-CZ3 4.05Å; W488-N491 VanDerWaalsContact O-CA 3.24Å; W488-N491 WeakPolarHBondContact O-CA 3.34Å; W488-N491 PolarHBondContact O-N 3.04Å; W488-S492 WeakPolarHBondContact CB-O 3.32Å; W488-S492 PolarHBondContact N-O 2.85Å; W488-S492 PolarHBondContact O-N 3.22Å; W488-A494 VanDerWaalsContact CD1-O 3.28Å; W488-P495 HydrophobicContact CD2-CB 4.41Å; W488-P495 HydrophobicContact CH2-CB 4.32Å; W488-P495 HydrophobicContact CZ2-CB 3.65Å
489	P	86.9	Confident	79.5	Confident	9 Å²	9	67.6 Å²	67.6	6%	0.058	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-46	142	165.6	-30.1	37.7	0	0	0	112.1	Y336 V356 N491	Y336-P489 WeakPolarHBondContact O-CG 3.36Å; V356-P489 WeakPolarHBondContact O-CA 3.46Å; P489-N491 PolarHBondContact O-N 3.39Å
490	G	81.2	Confident	78.7	Confident	51 Å²	51	60.9 Å²	60.9	53%	0.526	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	74	4.2	-167.8	0	0	0	0	0	115.1	S492	G490-S492 PolarHBondContact O-N 3.25Å
491	N	81.2	Confident	77.5	Confident	91 Å²	91	64.6 Å²	64.6	49%	0.487	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	59.7	34	-172.2	-161.6	87.1	0	0	0	112.8	W488 P489	W488-N491 VanDerWaalsContact O-CA 3.24Å; W488-N491 WeakPolarHBondContact O-CA 3.34Å; W488-N491 PolarHBondContact O-N 3.04Å; P489-N491 PolarHBondContact O-N 3.39Å
492	S	80.7	Confident	75.9	Confident	48 Å²	48	69.8 Å²	69.8	34%	0.336	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-77.3	152.8	174	171.6	0	0	0	0	111.7	W488 G490 A494	W488-S492 WeakPolarHBondContact CB-O 3.32Å; W488-S492 PolarHBondContact N-O 2.85Å; W488-S492 PolarHBondContact O-N 3.22Å; G490-S492 PolarHBondContact O-N 3.25Å; S492-A494 PolarHBondContact OG-N 3.08Å; S492-A494 PolarHBondContact OG-O 3.16Å
493	H	81.8	Confident	75.2	Confident	150 Å²	150	67.4 Å²	67.4	69%	0.694	36%	0.36	S	S	*	.	S	Bend	trans	-94	-10.3	167.6	-64.3	-73.9	0	0	0	113.2
494	A	80.7	Confident	75	Confident	61 Å²	61	71.7 Å²	71.7	50%	0.504	38%	0.38	S	S	.	.	S	Bend	trans	-100.6	134.6	179.3	0	0	0	0	0	111.1	W488 S492	W488-A494 VanDerWaalsContact CD1-O 3.28Å; S492-A494 PolarHBondContact OG-N 3.08Å; S492-A494 PolarHBondContact OG-O 3.16Å
495	P	80.1	Confident	75.4	Confident	60 Å²	60	63.4 Å²	63.4	39%	0.39	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-68.2	140.8	179.2	28	-34.3	0	0	0	111.4	Y250 W252 W488	Y250-P495 HydrophobicContact CD1-CB 3.83Å; Y250-P495 HydrophobicContact CD1-CG 4.01Å; Y250-P495 HydrophobicContact CE1-CB 4.1Å; Y250-P495 HydrophobicContact CE1-CG 4.15Å; W252-P495 HydrophobicContact CZ2-CB 4.47Å; W488-P495 HydrophobicContact CD2-CB 4.41Å; W488-P495 HydrophobicContact CH2-CB 4.32Å; W488-P495 HydrophobicContact CZ2-CB 3.65Å
496	P	77.4	Confident	75.9	Confident	17 Å²	17	59.7 Å²	59.7	11%	0.11	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-66.5	151.8	169.5	29	-33.8	0	0	0	110.6	W252 V337 G498	W252-P496 HydrophobicContact CZ2-CG 4.42Å; W252-P496 PolarHBondContact NE1-O 2.87Å; V337-P496 HydrophobicContact CG2-CG 3.33Å; P496-G498 PolarHBondContact O-N 3.01Å; P496-G498 VanDerWaalsContact O-N 3.17Å
497	Q	66.9	Low	76.3	Confident	174 Å²	174	59.1 Å²	59.1	81%	0.813	32%	0.324	S	S	*	.			trans	-72.2	-10.6	-169.9	-59.8	-168.6	18.5	0	0	114.4	V499	Q497-V499 PolarHBondContact O-N 3.27Å; Q497-V499 VanDerWaalsContact O-N 3.12Å
498	G	58.8	Low	76.7	Confident	6 Å²	6	58.5 Å²	58.5	6%	0.062	32%	0.318	C	S	.	.	S	Bend	trans	68.7	4.2	177.7	0	0	0	0	0	115.5	P496	P496-G498 PolarHBondContact O-N 3.01Å; P496-G498 VanDerWaalsContact O-N 3.17Å
499	V	59.1	Low	76.9	Confident	89 Å²	89	58.2 Å²	58.2	54%	0.539	32%	0.317	S	S	.	.	S	Bend	trans	-116.4	141.7	173.5	-179.5	0	0	0	0	106.7	Q497 E501	Q497-V499 PolarHBondContact O-N 3.27Å; Q497-V499 VanDerWaalsContact O-N 3.12Å; V499-E501 PolarHBondContact O-N 3.42Å
500	P	54	Low	77.2	Confident	12 Å²	12	58.2 Å²	58.2	8%	0.078	32%	0.317	C	S	.	.			trans	-62.6	122.8	171.5	27.6	-34.4	0	0	0	109	E306 K502	E306-P500 HydrophobicContact CB-CG 3.96Å; E306-P500 HydrophobicContact CG-CG 4.13Å; E306-P500 WeakPolarHBondContact O-CD 3.46Å; P500-K502 PolarHBondContact O-N 3.09Å
501	E	53.5	Low	77.7	Confident	157 Å²	157	59.6 Å²	59.6	73%	0.734	31%	0.31	S	S	*	.	S	Bend	trans	-55.1	-27.4	-176.6	-170.3	177.1	-169.2	0	0	112.7	V499	V499-E501 PolarHBondContact O-N 3.42Å
502	K	54.3	Low	78.2	Confident	123 Å²	123	56 Å²	56	54%	0.535	29%	0.289	S	S	.	.	S	Bend	trans	-141.7	136.3	164.3	-56.9	-175.5	-174.6	-175	0	110.8	P500 G579 T581	P500-K502 PolarHBondContact O-N 3.09Å; K502-G579 VanDerWaalsContact CA-O 3.31Å; K502-G579 WeakPolarHBondContact CA-O 3.25Å; K502-T581 HydrophobicContact CB-CG2 3.97Å; K502-T581 HydrophobicContact CD-CG2 3.66Å; K502-T581 HydrophobicContact CG-CG2 4.39Å
503	F	71.8	Confident	78.7	Confident	27 Å²	27	55.4 Å²	55.4	12%	0.118	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	173.1	161.2	60	-82.9	0	0	0	110.5	L505 F580 T581 Y877 M880	F503-L505 HydrophobicContact CD2-CD2 4.19Å; F503-L505 HydrophobicContact CD2-CG 4.15Å; F503-L505 HydrophobicContact CE2-CD1 4.03Å; F503-L505 HydrophobicContact CE2-CD2 4.11Å; F503-L505 HydrophobicContact CE2-CG 3.98Å; F503-F580 HydrophobicContact CD1-CB 4Å; F503-F580 HydrophobicContact CD2-CB 3.88Å; F503-F580 HydrophobicContact CE1-CB 3.84Å; F503-F580 HydrophobicContact CE2-CB 3.73Å; F503-F580 HydrophobicContact CE2-CD1 4.34Å; F503-F580 HydrophobicContact CE2-CG 4.13Å; F503-F580 HydrophobicContact CG-CB 4.02Å; F503-F580 HydrophobicContact CZ-CB 3.71Å; F503-F580 AromaticContact CZ-CD1 3.96Å; F503-F580 HydrophobicContact CZ-CD1 3.96Å; F503-F580 HydrophobicContact CZ-CG 4.11Å; F503-F580 WeakPolarHBondContact O-CA 3.44Å; F503-T581 PolarHBondContact O-N 3.41Å; F503-T581 PolarHBondContact O-OG1 3.28Å; F503-Y877 AromaticContact CD2-CE1 3.66Å; F503-Y877 HydrophobicContact CD2-CE1 3.66Å; F503-Y877 AromaticContact CD2-CZ 4Å; F503-Y877 AromaticContact CE2-CD1 3.83Å; F503-Y877 HydrophobicContact CE2-CD1 3.83Å; F503-Y877 AromaticContact CE2-CE1 3.35Å; F503-Y877 HydrophobicContact CE2-CE1 3.35Å; F503-Y877 HydrophobicContact CZ-CD1 4.23Å; F503-Y877 HydrophobicContact CZ-CE1 4.01Å; F503-M880 HydrophobicContact CE1-CE 3.85Å; F503-M880 HydrophobicContact CZ-CE 4.04Å; F503-M880 HydrophobicContact CZ-SD 4.5Å
504	H	82.1	Confident	79.2	Confident	107 Å²	107	48.3 Å²	48.3	50%	0.495	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	143.9	-179.7	-164.5	74.6	0	0	0	111.3	T581	H504-T581 CarbonylContact C-O 3.55Å; H504-T581 VanDerWaalsContact CA-O 3.31Å; H504-T581 WeakPolarHBondContact CA-O 3.41Å; H504-T581 PolarHBondContact ND1-OG1 3.23Å
505	L	88.9	Confident	79.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.9	176.3	-64.3	178.6	0	0	0	110.8	F503 I507 F580 T581 Y582 E583 D613 M614 Y877 F881	F503-L505 HydrophobicContact CD2-CD2 4.19Å; F503-L505 HydrophobicContact CD2-CG 4.15Å; F503-L505 HydrophobicContact CE2-CD1 4.03Å; F503-L505 HydrophobicContact CE2-CD2 4.11Å; F503-L505 HydrophobicContact CE2-CG 3.98Å; L505-I507 HydrophobicContact CB-CD1 4.3Å; L505-I507 HydrophobicContact CB-CG1 3.99Å; L505-F580 HydrophobicContact CD1-CD2 3.96Å; L505-F580 HydrophobicContact CD1-CE2 3.95Å; L505-F580 HydrophobicContact CD1-CG 4.41Å; L505-F580 HydrophobicContact CD1-CZ 4.38Å; L505-F580 HydrophobicContact CG-CD2 4.37Å; L505-T581 PolarHBondContact N-O 3.49Å; L505-Y582 CarbonylContact O-C 3.58Å; L505-Y582 WeakPolarHBondContact O-CA 3.33Å; L505-E583 PolarHBondContact O-N 2.94Å; L505-D613 HydrophobicContact CD2-CB 3.99Å; L505-M614 HydrophobicContact CD1-SD 4.33Å; L505-Y877 HydrophobicContact CD2-CD2 3.98Å; L505-Y877 HydrophobicContact CD2-CE1 4.3Å; L505-Y877 HydrophobicContact CD2-CE2 3.47Å; L505-Y877 VanDerWaalsContact CD2-CE2 3.47Å; L505-F881 HydrophobicContact CD1-CE2 4.28Å; L505-F881 HydrophobicContact CD1-CZ 4.02Å
506	K	91.4	Very high	80.6	Confident	38 Å²	38	42.6 Å²	42.6	17%	0.165	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	114.4	167.2	-169.2	177	169.6	-164.9	0	108.9	D541 E583 V585 K611 T612 D613	K506-D541 IonicContact NZ-OD1 3.97Å; K506-D541 PolarHBondContact NZ-OD1 2.82Å; K506-D541 IonicContact NZ-OD2 3.34Å; K506-D541 PolarHBondContact NZ-OD2 2.84Å; K506-E583 HydrophobicContact CG-CB 4.47Å; K506-E583 WeakPolarHBondContact CG-OE2 3.49Å; K506-V585 HydrophobicContact CG-CG2 4.09Å; K506-K611 WeakPolarHBondContact CD-O 3.24Å; K506-K611 PolarHBondContact NZ-O 3.2Å; K506-T612 HydrophobicContact CB-CG2 4.48Å; K506-T612 HydrophobicContact CD-CG2 4.21Å; K506-T612 HydrophobicContact CG-CG2 3.92Å; K506-T612 WeakPolarHBondContact O-CB 3.44Å; K506-D613 PolarHBondContact N-OD2 2.9Å; K506-D613 PolarHBondContact O-N 2.81Å
507	I	95.2	Very high	81.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.3	-169.8	-54.6	-176.6	0	0	0	110	L505 L571 F580 Y582 E583 L584 V585 M614 L616	L505-I507 HydrophobicContact CB-CD1 4.3Å; L505-I507 HydrophobicContact CB-CG1 3.99Å; I507-L571 HydrophobicContact CD1-CD1 3.56Å; I507-L571 HydrophobicContact CD1-CD2 4.03Å; I507-L571 HydrophobicContact CD1-CG 4.46Å; I507-F580 HydrophobicContact CD1-CE2 4.44Å; I507-Y582 HydrophobicContact CD1-CG 4.25Å; I507-E583 PolarHBondContact N-O 2.85Å; I507-L584 HydrophobicContact CB-CD2 4.2Å; I507-L584 HydrophobicContact CG2-CD2 4.07Å; I507-L584 WeakPolarHBondContact O-CA 3.08Å; I507-V585 PolarHBondContact O-N 3.25Å; I507-M614 WeakPolarHBondContact CA-O 3.43Å; I507-M614 HydrophobicContact CD1-SD 4.04Å; I507-M614 HydrophobicContact CG1-CB 4.33Å; I507-M614 HydrophobicContact CG1-SD 4.39Å; I507-L616 HydrophobicContact CG2-CB 3.84Å
508	T	95.1	Very high	82.4	Confident	3 Å²	3	37.9 Å²	37.9	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	142.5	174.6	11.8	0	0	0	0	112.3	V585 D606 T612 M614 V615 L616	T508-V585 CarbonylContact C-O 3.58Å; T508-V585 VanDerWaalsContact CA-O 3.28Å; T508-V585 WeakPolarHBondContact CA-O 3.23Å; T508-D606 HydrophobicContact CG2-CB 4.4Å; T508-T612 HydrophobicContact CG2-CG2 3.62Å; T508-T612 VanDerWaalsContact OG1-CB 3.23Å; T508-T612 WeakPolarHBondContact OG1-CB 3.17Å; T508-T612 VanDerWaalsContact OG1-CG2 3.27Å; T508-T612 WeakPolarHBondContact OG1-CG2 3.48Å; T508-T612 PolarHBondContact OG1-OG1 3.37Å; T508-M614 PolarHBondContact N-O 2.96Å; T508-M614 PolarHBondContact OG1-O 3.2Å; T508-V615 VanDerWaalsContact O-CA 3.31Å; T508-V615 WeakPolarHBondContact O-CA 3.22Å; T508-V615 VanDerWaalsContact OG1-CG2 3.25Å; T508-V615 WeakPolarHBondContact OG1-CG2 3.31Å; T508-L616 PolarHBondContact O-N 2.95Å; T508-L616 VanDerWaalsContact O-N 3.08Å
509	F	94.9	Very high	83.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	165.5	174.2	74.5	-85.4	0	0	0	112.8	I516 L518 C536 C563 L584 V585 R586 V587 L616	F509-I516 HydrophobicContact CB-CD1 3.6Å; F509-I516 HydrophobicContact CD2-CD1 3.91Å; F509-I516 HydrophobicContact CD2-CG2 3.85Å; F509-I516 HydrophobicContact CE2-CG2 4.01Å; F509-I516 HydrophobicContact CG-CD1 4Å; F509-L518 HydrophobicContact CE2-CD2 4.12Å; F509-L518 HydrophobicContact CZ-CD2 4.24Å; F509-C536 HydrophobicContact CE1-CB 3.89Å; F509-C536 HydrophobicContact CZ-CB 4.03Å; F509-C563 WeakPolarHBondContact CZ-SG 3.36Å; F509-L584 HydrophobicContact CD1-CB 4.27Å; F509-L584 HydrophobicContact CD1-CD2 4.03Å; F509-L584 HydrophobicContact CE1-CB 4.13Å; F509-V585 VanDerWaalsContact CD1-C 3.47Å; F509-V585 WeakPolarHBondContact CD1-O 3.35Å; F509-V585 PolarHBondContact N-O 3.34Å; F509-R586 HydrophobicContact CE1-CB 4.26Å; F509-R586 HydrophobicContact CE2-CB 4.33Å; F509-R586 HydrophobicContact CE2-CG 4.47Å; F509-R586 HydrophobicContact CZ-CB 3.9Å; F509-V587 PolarHBondContact O-N 3.49Å; F509-L616 VanDerWaalsContact CB-O 3.31Å; F509-L616 WeakPolarHBondContact CB-O 3.32Å
510	L	93.2	Very high	85.1	Confident	9 Å²	9	38.7 Å²	38.7	5%	0.047	20%	0.199	C	C	.	.			trans	-128.2	146.6	166.3	-178.1	57.7	0	0	0	108.1	V587 W592 L603 T617	L510-V587 HydrophobicContact CB-CG1 3.95Å; L510-V587 HydrophobicContact CD1-CG1 3.77Å; L510-V587 HydrophobicContact CG-CG1 4.3Å; L510-W592 HydrophobicContact CB-CZ3 4.46Å; L510-W592 HydrophobicContact CD2-CD2 3.68Å; L510-W592 HydrophobicContact CD2-CE3 3.97Å; L510-W592 HydrophobicContact CD2-CG 4.1Å; L510-W592 HydrophobicContact CD2-CH2 4.26Å; L510-W592 HydrophobicContact CD2-CZ2 4.01Å; L510-W592 HydrophobicContact CD2-CZ3 4.25Å; L510-L603 HydrophobicContact CB-CD1 4.02Å; L510-L603 HydrophobicContact CB-CD2 4.44Å; L510-T617 PolarHBondContact O-OG1 3.04Å
511	E	91.8	Very high	86.5	Confident	80 Å²	80	38.6 Å²	38.6	37%	0.374	20%	0.199	S	C	.	.			trans	-73.9	132.4	-179.2	70.9	-153.4	113.4	0	0	111.7	L518 R586	E511-L518 HydrophobicContact CB-CD1 4.33Å; E511-L518 HydrophobicContact CB-CG 4.46Å; E511-R586 IonicContact OE1-CZ 2.65Å; E511-R586 IonicContact OE1-NE 3.31Å; E511-R586 PolarHBondContact OE1-NE 3.48Å; E511-R586 IonicContact OE1-NH2 2.99Å; E511-R586 PolarHBondContact OE1-NH2 3.48Å; E511-R586 IonicContact OE2-NH2 2.76Å
512	E	91.6	Very high	87.9	Confident	14 Å²	14	33 Å²	33	7%	0.065	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-163.2	123	170	-170.4	164.1	-120.1	0	0	109.4	Y515 I516 W592 S618 Y838 V842	E512-Y515 WeakPolarHBondContact O-CA 3.31Å; E512-Y515 WeakPolarHBondContact O-CB 3.35Å; E512-Y515 PolarHBondContact O-N 3.18Å; E512-I516 CarbonylContact C-O 3.52Å; E512-I516 PolarHBondContact N-O 3.35Å; E512-I516 PolarHBondContact O-N 2.87Å; E512-W592 HydrophobicContact CB-CH2 4.13Å; E512-W592 HydrophobicContact CB-CZ2 4.32Å; E512-W592 WeakPolarHBondContact OE2-CH2 3.47Å; E512-S618 VanDerWaalsContact OE2-CB 3.26Å; E512-S618 WeakPolarHBondContact OE2-CB 3.4Å; E512-S618 PolarHBondContact OE2-OG 2.82Å; E512-Y838 VanDerWaalsContact OE1-CE1 3.26Å; E512-Y838 WeakPolarHBondContact OE1-CE1 3.24Å; E512-Y838 PolarHBondContact OE1-OH 2.87Å; E512-V842 HydrophobicContact CG-CG1 4.41Å; E512-V842 HydrophobicContact CG-CG2 4.21Å
513	A	90.8	Very high	89	Confident	37 Å²	37	31.6 Å²	31.6	31%	0.306	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	134.3	177	0	0	0	0	0	110.6	N517 Y845	A513-N517 VanDerWaalsContact CA-OD1 3.26Å; A513-N517 WeakPolarHBondContact CA-OD1 3.43Å; A513-N517 WeakPolarHBondContact CB-OD1 3.35Å; A513-Y845 HydrophobicContact CB-CE1 3.98Å
514	P	92.4	Very high	89.4	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.006	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	cis	-101	17.8	8.5	38.9	-32.8	0	0	0	114	F566 Y845 M902	P514-F566 PolarHBondContact O-N 3.32Å; P514-F566 VanDerWaalsContact O-N 3.11Å; P514-Y845 HydrophobicContact CB-CD1 4.05Å; P514-Y845 HydrophobicContact CB-CD2 4.02Å; P514-Y845 HydrophobicContact CB-CE1 3.92Å; P514-Y845 HydrophobicContact CB-CE2 3.9Å; P514-Y845 HydrophobicContact CB-CG 4.1Å; P514-Y845 HydrophobicContact CG-CD1 3.9Å; P514-Y845 HydrophobicContact CG-CD2 3.89Å; P514-Y845 HydrophobicContact CG-CE1 4.3Å; P514-Y845 HydrophobicContact CG-CE2 4.29Å; P514-Y845 HydrophobicContact CG-CG 3.68Å; P514-M902 HydrophobicContact CG-CE 3.77Å; P514-M902 HydrophobicContact CG-CG 3.83Å
515	Y	94.4	Very high	89	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-49.2	-175.1	-64.7	-74.2	0	0	0	112.4	E512 G565 F566 C567 F635 M636 T841 V842 Y867 M902	E512-Y515 WeakPolarHBondContact O-CA 3.31Å; E512-Y515 WeakPolarHBondContact O-CB 3.35Å; E512-Y515 PolarHBondContact O-N 3.18Å; Y515-G565 CarbonylContact O-C 3.57Å; Y515-G565 VanDerWaalsContact O-C 3.28Å; Y515-G565 WeakPolarHBondContact O-CA 3.17Å; Y515-F566 HydrophobicContact CD1-CB 4.25Å; Y515-F566 HydrophobicContact CD1-CD1 4.08Å; Y515-F566 HydrophobicContact CD1-CG 4.41Å; Y515-F566 HydrophobicContact CE1-CD1 4.33Å; Y515-F566 PolarHBondContact O-N 3.36Å; Y515-F566 VanDerWaalsContact O-N 3.16Å; Y515-C567 WeakPolarHBondContact O-CB 3.3Å; Y515-C567 PolarHBondContact O-N 3.03Å; Y515-F635 HydrophobicContact CE1-CE2 4.43Å; Y515-M636 HydrophobicContact CE1-CE 4.41Å; Y515-M636 HydrophobicContact CE1-SD 4.02Å; Y515-M636 PolarHBondContact OH-SD 2.64Å; Y515-T841 VanDerWaalsContact OH-CB 3.27Å; Y515-T841 WeakPolarHBondContact OH-CB 3.33Å; Y515-T841 PolarHBondContact OH-OG1 3.47Å; Y515-V842 HydrophobicContact CE2-CG2 3.97Å; Y515-Y867 HydrophobicContact CE1-CD2 4.3Å; Y515-Y867 HydrophobicContact CE1-CE2 4.01Å; Y515-Y867 HydrophobicContact CE2-CE2 4.09Å; Y515-Y867 AromaticContact CZ-CE2 3.51Å; Y515-Y867 AromaticContact CZ-CZ 3.97Å; Y515-Y867 VanDerWaalsContact OH-CE2 3.23Å; Y515-Y867 WeakPolarHBondContact OH-CE2 3.27Å; Y515-M902 HydrophobicContact CD1-CE 4.25Å; Y515-M902 HydrophobicContact CE1-CE 3.41Å; Y515-M902 VanDerWaalsContact CE1-CE 3.41Å; Y515-M902 HydrophobicContact CE2-CE 4.29Å; Y515-M902 VanDerWaalsContact CZ-CE 3.41Å; Y515-M902 VanDerWaalsContact OH-CE 3.23Å; Y515-M902 WeakPolarHBondContact OH-CE 3.47Å
516	I	94.7	Very high	88.2	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-144.6	113.9	174.6	-55.8	176.4	0	0	0	109.1	F509 E512 C563 C567 I568 L616	F509-I516 HydrophobicContact CB-CD1 3.6Å; F509-I516 HydrophobicContact CD2-CD1 3.91Å; F509-I516 HydrophobicContact CD2-CG2 3.85Å; F509-I516 HydrophobicContact CE2-CG2 4.01Å; F509-I516 HydrophobicContact CG-CD1 4Å; E512-I516 CarbonylContact C-O 3.52Å; E512-I516 PolarHBondContact N-O 3.35Å; E512-I516 PolarHBondContact O-N 2.87Å; I516-C563 HydrophobicContact CG2-CB 4.35Å; I516-C567 HydrophobicContact CD1-CB 4.13Å; I516-C567 HydrophobicContact CG1-CB 3.81Å; I516-I568 HydrophobicContact CD1-CD1 4.45Å; I516-I568 HydrophobicContact CG1-CD1 4.33Å; I516-I568 HydrophobicContact CG1-CG1 4.47Å; I516-I568 HydrophobicContact CG2-CD1 4.45Å; I516-L616 WeakPolarHBondContact CD1-O 3.27Å
517	N	91.7	Very high	87.6	Confident	49 Å²	49	39.6 Å²	39.6	26%	0.262	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	138.6	172.3	-60.8	-19.6	0	0	0	109.5	A513 C563 S564	A513-N517 VanDerWaalsContact CA-OD1 3.26Å; A513-N517 WeakPolarHBondContact CA-OD1 3.43Å; A513-N517 WeakPolarHBondContact CB-OD1 3.35Å; N517-C563 WeakPolarHBondContact O-CA 3.33Å; N517-S564 PolarHBondContact N-O 3.42Å; N517-S564 PolarHBondContact O-N 3.01Å
518	L	90.4	Very high	87	Confident	42 Å²	42	41 Å²	41	22%	0.22	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	141	171.7	-66.2	177.9	0	0	0	110.8	F509 E511 Q561 C563	F509-L518 HydrophobicContact CE2-CD2 4.12Å; F509-L518 HydrophobicContact CZ-CD2 4.24Å; E511-L518 HydrophobicContact CB-CD1 4.33Å; E511-L518 HydrophobicContact CB-CG 4.46Å; L518-Q561 HydrophobicContact CD2-CB 4.47Å; L518-C563 WeakPolarHBondContact CD2-SG 3.15Å
519	S	89.1	Confident	86	Confident	41 Å²	41	47.7 Å²	47.7	29%	0.287	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	152.5	169.1	51.2	0	0	0	0	110.5	C562	S519-C562 PolarHBondContact N-O 3.06Å; S519-C562 WeakPolarHBondContact O-CB 3.44Å; S519-C562 PolarHBondContact O-N 3.2Å; S519-C562 PolarHBondContact OG-O 3.23Å; S519-C562 VanDerWaalsContact OG-O 3.14Å
520	P	86.8	Confident	84.8	Confident	72 Å²	72	53.8 Å²	53.8	47%	0.468	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-65.9	147.4	175.5	27.8	-34.6	0	0	0	111.1	E557	P520-E557 HydrophobicContact CB-CG 4.39Å; P520-E557 WeakPolarHBondContact CB-OE1 3.4Å
521	A	83.3	Confident	83.6	Confident	10 Å²	10	61.9 Å²	61.9	8%	0.083	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-73.8	161.5	169.2	0	0	0	0	0	110.8	P523 L535	A521-P523 WeakPolarHBondContact O-CD 3.47Å; A521-L535 HydrophobicContact CB-CD1 4.41Å
522	D	82.4	Confident	82.8	Confident	38 Å²	38	62.8 Å²	62.8	20%	0.203	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-63.9	119.4	170.2	162.6	35.1	0	0	0	110	V524 S525 G526 K527 L529	D522-V524 PolarHBondContact O-N 2.82Å; D522-V524 VanDerWaalsContact O-N 3.1Å; D522-V524 PolarHBondContact OD1-N 3.21Å; D522-S525 PolarHBondContact O-N 3.47Å; D522-S525 WeakPolarHBondContact OD2-CB 3.11Å; D522-S525 PolarHBondContact OD2-N 3.38Å; D522-S525 PolarHBondContact OD2-OG 3.2Å; D522-G526 WeakPolarHBondContact O-CA 3.07Å; D522-G526 PolarHBondContact O-N 3.03Å; D522-K527 PolarHBondContact N-O 3.45Å; D522-L529 HydrophobicContact CB-CD2 4.32Å; D522-L529 HydrophobicContact CB-CG 4.29Å
523	P	77.5	Confident	82.3	Confident	94 Å²	94	63 Å²	63	61%	0.61	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-15	-176.9	26.9	-36.1	0	0	0	113.8	A521	A521-P523 WeakPolarHBondContact O-CD 3.47Å
524	V	79.4	Confident	82.2	Confident	116 Å²	116	62.1 Å²	62.1	70%	0.703	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-52.4	177.8	-175.6	0	0	0	0	111.7	D522	D522-V524 PolarHBondContact O-N 2.82Å; D522-V524 VanDerWaalsContact O-N 3.1Å; D522-V524 PolarHBondContact OD1-N 3.21Å
525	S	74.4	Confident	81.9	Confident	62 Å²	62	64.7 Å²	64.7	43%	0.434	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-18.8	-175.6	68.3	0	0	0	0	115	D522 K527	D522-S525 PolarHBondContact O-N 3.47Å; D522-S525 WeakPolarHBondContact OD2-CB 3.11Å; D522-S525 PolarHBondContact OD2-N 3.38Å; D522-S525 PolarHBondContact OD2-OG 3.2Å; S525-K527 PolarHBondContact O-N 2.78Å; S525-K527 PolarHBondContact OG-N 2.84Å
526	G	72.5	Confident	81.8	Confident	12 Å²	12	64.8 Å²	64.8	12%	0.124	36%	0.36	C	S	.	.	S	Bend	trans	66.9	23.4	-171.3	0	0	0	0	0	113.3	D522	D522-G526 WeakPolarHBondContact O-CA 3.07Å; D522-G526 PolarHBondContact O-N 3.03Å
527	K	78.1	Confident	81.5	Confident	151 Å²	151	65.2 Å²	65.2	66%	0.657	36%	0.362	S	S	*	.	S	Bend	trans	-114.3	160.9	179	-63.8	-169.7	175.8	-170.2	0	111.6	D522 S525	D522-K527 PolarHBondContact N-O 3.45Å; S525-K527 PolarHBondContact O-N 2.78Å; S525-K527 PolarHBondContact OG-N 2.84Å
528	C	82.8	Confident	81.4	Confident	29 Å²	29	64.1 Å²	64.1	20%	0.196	36%	0.357	C	S	.	.			trans	-76.7	138	174.1	-57.2	0	0	0	0	111.5	M530 G533 C562	C528-M530 VanDerWaalsContact C-N 3.29Å; C528-G533 VanDerWaalsContact CB-O 3.26Å; C528-G533 WeakPolarHBondContact CB-O 3.38Å; C528-G533 PolarHBondContact SG-O 3.45Å; C528-G533 VanDerWaalsContact SG-O 3.34Å; C528-C562 WeakPolarHBondContact CA-SG 3.28Å; C528-C562 HydrophobicContact CB-CB 3.78Å; C528-C562 WeakPolarHBondContact CB-SG 3.32Å; C528-C562 WeakPolarHBondContact SG-CB 3.28Å; C528-C562 CovalentContact SG-SG 2.03Å; C528-C562 PolarHBondContact SG-SG 3.47Å
529	L	73.3	Confident	81.1	Confident	143 Å²	143	62.4 Å²	62.4	75%	0.749	35%	0.348	S	S	*	.	S	Bend	trans	-76.2	-16.9	179.1	-73.3	160.4	0	0	0	113.2	D522	D522-L529 HydrophobicContact CB-CD2 4.32Å; D522-L529 HydrophobicContact CB-CG 4.29Å
530	M	70.8	Confident	80.7	Confident	128 Å²	128	61.1 Å²	61.1	63%	0.631	34%	0.341	S	S	*	.	S	Bend	trans	-96.2	134.5	174.6	-65.5	-66.5	-161.7	0	0	109.7	C528 R532 G533	C528-M530 VanDerWaalsContact C-N 3.29Å; M530-R532 PolarHBondContact O-N 2.9Å; M530-G533 PolarHBondContact O-N 3.24Å
531	D	66.8	Low	80.2	Confident	179 Å²	179	60.6 Å²	60.6	96%	0.957	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.3	177.3	-64.5	-39.4	0	0	0	113.9
532	R	74.8	Confident	79.9	Confident	99 Å²	99	66.9 Å²	66.9	37%	0.374	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	16.2	172.6	-55.6	-167.3	-163.6	156.1	13.1	113.8	M530 D569	M530-R532 PolarHBondContact O-N 2.9Å; R532-D569 VanDerWaalsContact CD-OD1 3.28Å; R532-D569 WeakPolarHBondContact CD-OD1 3.43Å; R532-D569 IonicContact CZ-OD2 2.87Å; R532-D569 IonicContact NH1-OD1 3.83Å; R532-D569 IonicContact NH1-OD2 3.19Å; R532-D569 PolarHBondContact NH1-OD2 3.14Å
533	G	82.9	Confident	79.4	Confident	18 Å²	18	69.7 Å²	69.7	19%	0.186	37%	0.373	C	S	.	.			trans	-83.6	114.9	174.3	0	0	0	0	0	109.9	C528 M530 C563	C528-G533 VanDerWaalsContact CB-O 3.26Å; C528-G533 WeakPolarHBondContact CB-O 3.38Å; C528-G533 PolarHBondContact SG-O 3.45Å; C528-G533 VanDerWaalsContact SG-O 3.34Å; M530-G533 PolarHBondContact O-N 3.24Å; G533-C563 WeakPolarHBondContact CA-O 3.36Å
534	V	87.5	Confident	78.9	Confident	20 Å²	20	68.2 Å²	68.2	12%	0.121	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	144.3	173.4	-54.6	0	0	0	0	109.8	C562 C563 I568 L584	V534-C562 WeakPolarHBondContact O-CA 3.4Å; V534-C563 HydrophobicContact CG2-CB 4.02Å; V534-C563 PolarHBondContact N-O 3.27Å; V534-C563 PolarHBondContact O-N 2.88Å; V534-I568 HydrophobicContact CB-CG2 4.31Å; V534-I568 HydrophobicContact CG1-CG2 3.84Å; V534-I568 HydrophobicContact CG2-CD1 4.28Å; V534-I568 HydrophobicContact CG2-CG2 3.54Å; V534-L584 HydrophobicContact CG2-CD1 3.45Å; V534-L584 VanDerWaalsContact CG2-CD1 3.45Å
535	L	86.9	Confident	77.8	Confident	55 Å²	55	66.8 Å²	66.8	29%	0.288	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	130.9	177.5	-155.2	78.1	0	0	0	110	A521 H554 Y560	A521-L535 HydrophobicContact CB-CD1 4.41Å; L535-H554 HydrophobicContact CD2-CB 4.05Å; L535-H554 VanDerWaalsContact CD2-ND1 3.34Å; L535-H554 WeakPolarHBondContact CD2-ND1 3.23Å; L535-Y560 HydrophobicContact CD2-CD1 3.63Å; L535-Y560 HydrophobicContact CD2-CE1 4.31Å; L535-Y560 HydrophobicContact CD2-CG 3.86Å; L535-Y560 HydrophobicContact CG-CD1 3.83Å; L535-Y560 HydrophobicContact CG-CG 4.21Å
536	C	90.9	Very high	76.9	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.007	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144.5	-179.2	57.9	0	0	0	0	111	F509 Y560 Q561 C563 L584	F509-C536 HydrophobicContact CE1-CB 3.89Å; F509-C536 HydrophobicContact CZ-CB 4.03Å; C536-Y560 WeakPolarHBondContact O-CA 3.44Å; C536-Q561 PolarHBondContact N-O 2.87Å; C536-Q561 PolarHBondContact O-N 2.74Å; C536-Q561 PolarHBondContact SG-O 2.89Å; C536-Q561 VanDerWaalsContact SG-O 3.38Å; C536-C563 HydrophobicContact CB-CB 3.86Å; C536-C563 WeakPolarHBondContact CB-SG 3.45Å; C536-C563 WeakPolarHBondContact SG-CB 3.47Å; C536-C563 PolarHBondContact SG-N 3.45Å; C536-C563 VanDerWaalsContact SG-N 3.37Å; C536-C563 CovalentContact SG-SG 2.04Å; C536-C563 PolarHBondContact SG-SG 3.02Å; C536-L584 HydrophobicContact CB-CB 3.6Å; C536-L584 HydrophobicContact CB-CD1 4.33Å
537	R	89.6	Confident	76.2	Confident	10 Å²	10	75 Å²	75	4%	0.038	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135.3	-176.7	-178.5	164.1	57.5	95.6	-13.1	111.4	A539 D541 F559 Y560 E583 L584 R586	R537-A539 PolarHBondContact NH1-O 2.89Å; R537-D541 IonicContact CZ-OD1 2.66Å; R537-D541 IonicContact NH1-OD1 3.25Å; R537-D541 PolarHBondContact NH1-OD1 3.34Å; R537-D541 IonicContact NH2-OD1 3.36Å; R537-D541 PolarHBondContact NH2-OD1 2.94Å; R537-F559 WeakPolarHBondContact CA-O 3.35Å; R537-Y560 HydrophobicContact CB-CD1 4.18Å; R537-Y560 HydrophobicContact CB-CE1 3.82Å; R537-Y560 HydrophobicContact CG-CE1 4.47Å; R537-E583 IonicContact CZ-OE1 3.6Å; R537-E583 VanDerWaalsContact CZ-OE1 3.26Å; R537-E583 IonicContact NE-OE1 2.65Å; R537-E583 PolarHBondContact NE-OE1 2.85Å; R537-E583 IonicContact NH2-OE1 3.45Å; R537-E583 PolarHBondContact NH2-OE1 2.83Å; R537-E583 IonicContact NH2-OE2 2.68Å; R537-L584 PolarHBondContact N-O 3.33Å; R537-R586 PolarHBondContact O-N 3.14Å
538	V	88.9	Confident	75.4	Confident	27 Å²	27	71.2 Å²	71.2	16%	0.164	39%	0.39	C	S	.	.			trans	-115.2	-27.6	-179.6	178.9	0	0	0	0	112.1	F559 Q561	V538-F559 PolarHBondContact N-O 3.41Å; V538-Q561 HydrophobicContact CG2-CB 3.93Å; V538-Q561 HydrophobicContact CG2-CG 3.81Å
539	A	83.6	Confident	74.6	Confident	5 Å²	5	74.1 Å²	74.1	4%	0.041	40%	0.404	C	S	.	.	S	Bend	trans	-70.8	147.4	174.2	0	0	0	0	0	113	R537 E543 S558 F559	R537-A539 PolarHBondContact NH1-O 2.89Å; A539-E543 WeakPolarHBondContact CA-OE2 3.35Å; A539-E543 HydrophobicContact CB-CB 4.36Å; A539-E543 WeakPolarHBondContact CB-OE2 3.42Å; A539-S558 PolarHBondContact N-O 3.43Å; A539-F559 HydrophobicContact CB-CB 4.34Å; A539-F559 HydrophobicContact CB-CD1 3.47Å; A539-F559 VanDerWaalsContact CB-CD1 3.47Å; A539-F559 HydrophobicContact CB-CE1 4.04Å; A539-F559 HydrophobicContact CB-CG 4.12Å; A539-F559 PolarHBondContact N-O 2.88Å
540	A	80.7	Confident	74.3	Confident	15 Å²	15	71.5 Å²	71.5	12%	0.124	39%	0.393	C	S	.	.			trans	-71.3	157.4	-178.1	0	0	0	0	0	112.5	H542 E543 M544 E588	A540-H542 VanDerWaalsContact CB-CE1 3.45Å; A540-H542 WeakPolarHBondContact CB-CE1 3.12Å; A540-H542 WeakPolarHBondContact CB-ND1 3.04Å; A540-H542 PolarHBondContact O-N 3.21Å; A540-E543 HydrophobicContact CB-CG 4.3Å; A540-E543 PolarHBondContact N-OE2 3.38Å; A540-E543 PolarHBondContact O-N 3.36Å; A540-M544 PolarHBondContact O-N 3.01Å; A540-E588 HydrophobicContact CB-CG 4.26Å; A540-E588 WeakPolarHBondContact CB-OE1 3.47Å
541	D	77.3	Confident	74.1	Confident	61 Å²	61	67.2 Å²	67.2	33%	0.326	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.7	-174.5	-82.6	1.2	0	0	0	112.5	K506 R537 E588	K506-D541 IonicContact NZ-OD1 3.97Å; K506-D541 PolarHBondContact NZ-OD1 2.82Å; K506-D541 IonicContact NZ-OD2 3.34Å; K506-D541 PolarHBondContact NZ-OD2 2.84Å; R537-D541 IonicContact CZ-OD1 2.66Å; R537-D541 IonicContact NH1-OD1 3.25Å; R537-D541 PolarHBondContact NH1-OD1 3.34Å; R537-D541 IonicContact NH2-OD1 3.36Å; R537-D541 PolarHBondContact NH2-OD1 2.94Å; D541-E588 PolarHBondContact N-OE1 2.87Å
542	H	75.9	Confident	74.1	Confident	142 Å²	142	64.8 Å²	64.8	66%	0.657	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-22.8	177.7	70.4	-84.2	0	0	0	114.6	A540	A540-H542 VanDerWaalsContact CB-CE1 3.45Å; A540-H542 WeakPolarHBondContact CB-CE1 3.12Å; A540-H542 WeakPolarHBondContact CB-ND1 3.04Å; A540-H542 PolarHBondContact O-N 3.21Å
543	E	72.3	Confident	73.9	Confident	96 Å²	96	60.3 Å²	60.3	45%	0.449	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-27.1	178.1	-60.4	176.6	124.1	0	0	111.2	A539 A540 A545 F559	A539-E543 WeakPolarHBondContact CA-OE2 3.35Å; A539-E543 HydrophobicContact CB-CB 4.36Å; A539-E543 WeakPolarHBondContact CB-OE2 3.42Å; A540-E543 HydrophobicContact CB-CG 4.3Å; A540-E543 PolarHBondContact N-OE2 3.38Å; A540-E543 PolarHBondContact O-N 3.36Å; E543-A545 VanDerWaalsContact C-N 3.29Å; E543-A545 PolarHBondContact O-N 3.23Å; E543-F559 HydrophobicContact CB-CE1 4.31Å
544	M	66.6	Low	73.4	Confident	64 Å²	64	62.3 Å²	62.3	32%	0.315	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-8.5	175.3	-65.3	-68.6	-65.7	0	0	113.9	A540 A546 F559 Y560	A540-M544 PolarHBondContact O-N 3.01Å; M544-A546 PolarHBondContact O-N 3.12Å; M544-F559 HydrophobicContact SD-CD1 3.65Å; M544-F559 HydrophobicContact SD-CE1 4.23Å; M544-Y560 HydrophobicContact CE-CE2 4.31Å
545	A	57.1	Low	72.7	Confident	85 Å²	85	68.5 Å²	68.5	70%	0.702	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	1.6	-170.6	0	0	0	0	0	114.9	E543	E543-A545 VanDerWaalsContact C-N 3.29Å; E543-A545 PolarHBondContact O-N 3.23Å
546	A	56.6	Low	72.3	Confident	62 Å²	62	69.5 Å²	69.5	51%	0.512	38%	0.381	S	S	.	.	S	Bend	trans	-89.5	155.7	166.9	0	0	0	0	0	110.5	M544 I548	M544-A546 PolarHBondContact O-N 3.12Å; A546-I548 VanDerWaalsContact C-N 3.25Å; A546-I548 HydrophobicContact CB-CD1 4.41Å; A546-I548 HydrophobicContact CB-CG1 4.28Å; A546-I548 PolarHBondContact O-N 3.17Å
547	D	56.3	Low	71.5	Confident	184 Å²	184	74.5 Å²	74.5	98%	0.984	40%	0.404	S	S	*	.			trans	-66.8	76.7	178.3	-70.5	-56.2	0	0	0	112.4
548	I	62	Low	71.1	Confident	72 Å²	72	77.1 Å²	77.1	37%	0.369	42%	0.423	S	S	.	.			trans	-101.4	128.7	-179.3	-61.7	170.7	0	0	0	109.4	A546 V550 A553 F559	A546-I548 VanDerWaalsContact C-N 3.25Å; A546-I548 HydrophobicContact CB-CD1 4.41Å; A546-I548 HydrophobicContact CB-CG1 4.28Å; A546-I548 PolarHBondContact O-N 3.17Å; I548-V550 PolarHBondContact O-N 2.94Å; I548-A553 HydrophobicContact CG2-CB 4.1Å; I548-F559 HydrophobicContact CD1-CE1 3.98Å; I548-F559 HydrophobicContact CD1-CZ 3.91Å
549	D	66.6	Low	70.9	Confident	91 Å²	91	77.4 Å²	77.4	49%	0.487	42%	0.422	S	S	.	.			trans	-61.5	116.4	170.8	172.4	13.5	0	0	0	110.5	G551 Q552 A553	D549-G551 PolarHBondContact O-N 2.92Å; D549-G551 VanDerWaalsContact O-N 3.16Å; D549-G551 PolarHBondContact OD1-N 3.41Å; D549-Q552 HydrophobicContact CB-CB 4.35Å; D549-Q552 HydrophobicContact CB-CG 4.27Å; D549-Q552 WeakPolarHBondContact O-CA 3.29Å; D549-Q552 WeakPolarHBondContact O-CB 3.48Å; D549-Q552 PolarHBondContact O-N 2.89Å; D549-Q552 WeakPolarHBondContact OD2-CG 3.15Å; D549-Q552 PolarHBondContact OD2-NE2 3.38Å; D549-A553 PolarHBondContact O-N 3.04Å
550	V	67.1	Low	71	Confident	87 Å²	87	78.5 Å²	78.5	53%	0.527	43%	0.426	S	S	.	.	H	α-helix	trans	-53.8	-35.2	179.2	-176.7	0	0	0	0	111.6	I548 Q552 A553 H554	I548-V550 PolarHBondContact O-N 2.94Å; V550-Q552 VanDerWaalsContact C-N 3.26Å; V550-Q552 PolarHBondContact O-N 2.94Å; V550-A553 PolarHBondContact O-N 3.37Å; V550-H554 WeakPolarHBondContact CG1-NE2 3.42Å; V550-H554 PolarHBondContact O-CD2 3.42Å; V550-H554 VanDerWaalsContact O-CG 3.32Å; V550-H554 PolarHBondContact O-N 3.47Å; V550-H554 VanDerWaalsContact O-N 3.12Å
551	G	65.9	Low	71.4	Confident	38 Å²	38	79.9 Å²	79.9	39%	0.392	43%	0.43	S	S	.	.	H	α-helix	trans	-68.8	-20.5	177.4	0	0	0	0	0	114.5	D549	D549-G551 PolarHBondContact O-N 2.92Å; D549-G551 VanDerWaalsContact O-N 3.16Å; D549-G551 PolarHBondContact OD1-N 3.41Å
552	Q	67.8	Low	72.1	Confident	129 Å²	129	77 Å²	77	60%	0.603	41%	0.414	S	S	*	.	H	α-helix	trans	-91.6	-38.5	171.8	-69	174.6	53.4	0	0	111.4	D549 V550 H554 R555	D549-Q552 HydrophobicContact CB-CB 4.35Å; D549-Q552 HydrophobicContact CB-CG 4.27Å; D549-Q552 WeakPolarHBondContact O-CA 3.29Å; D549-Q552 WeakPolarHBondContact O-CB 3.48Å; D549-Q552 PolarHBondContact O-N 2.89Å; D549-Q552 WeakPolarHBondContact OD2-CG 3.15Å; D549-Q552 PolarHBondContact OD2-NE2 3.38Å; V550-Q552 VanDerWaalsContact C-N 3.26Å; V550-Q552 PolarHBondContact O-N 2.94Å; Q552-H554 VanDerWaalsContact C-N 3.3Å; Q552-H554 PolarHBondContact O-N 2.85Å; Q552-R555 PolarHBondContact O-N 3.15Å
553	A	68.9	Low	72.9	Confident	5 Å²	5	70.2 Å²	70.2	4%	0.041	38%	0.383	C	S	.	.	H	α-helix	trans	-55.8	-44	175.6	0	0	0	0	0	111.8	I548 D549 V550 R555 N556 F559 Y560	I548-A553 HydrophobicContact CG2-CB 4.1Å; D549-A553 PolarHBondContact O-N 3.04Å; V550-A553 PolarHBondContact O-N 3.37Å; A553-R555 PolarHBondContact O-N 3.09Å; A553-R555 VanDerWaalsContact O-N 3.11Å; A553-N556 PolarHBondContact O-N 3Å; A553-N556 VanDerWaalsContact O-N 3.09Å; A553-F559 HydrophobicContact CB-CB 4.45Å; A553-Y560 HydrophobicContact CB-CD2 4.14Å; A553-Y560 HydrophobicContact CB-CE2 3.95Å
554	H	73.1	Confident	73.9	Confident	60 Å²	60	66.4 Å²	66.4	28%	0.278	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-13.8	177.7	-66.4	-22.5	0	0	0	115.4	L535 V550 Q552 Y560	L535-H554 HydrophobicContact CD2-CB 4.05Å; L535-H554 VanDerWaalsContact CD2-ND1 3.34Å; L535-H554 WeakPolarHBondContact CD2-ND1 3.23Å; V550-H554 WeakPolarHBondContact CG1-NE2 3.42Å; V550-H554 PolarHBondContact O-CD2 3.42Å; V550-H554 VanDerWaalsContact O-CG 3.32Å; V550-H554 PolarHBondContact O-N 3.47Å; V550-H554 VanDerWaalsContact O-N 3.12Å; Q552-H554 VanDerWaalsContact C-N 3.3Å; Q552-H554 PolarHBondContact O-N 2.85Å; H554-Y560 AromaticContact CE1-CE2 3.86Å; H554-Y560 AromaticContact CE1-CZ 3.73Å; H554-Y560 AromaticContact ND1-CD1 3.99Å; H554-Y560 AromaticContact ND1-CD2 3.43Å; H554-Y560 WeakPolarHBondContact ND1-CD2 3.24Å; H554-Y560 AromaticContact ND1-CE1 3.97Å; H554-Y560 AromaticContact ND1-CE2 3.41Å; H554-Y560 WeakPolarHBondContact ND1-CE2 3.37Å; H554-Y560 AromaticContact ND1-CG 3.73Å; H554-Y560 AromaticContact ND1-CZ 3.69Å
555	R	72.9	Confident	75.1	Confident	149 Å²	149	63.3 Å²	63.3	56%	0.562	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-6.5	176.4	-60	-175.8	-171.4	179.1	1.4	113.6	Q552 A553	Q552-R555 PolarHBondContact O-N 3.15Å; A553-R555 PolarHBondContact O-N 3.09Å; A553-R555 VanDerWaalsContact O-N 3.11Å
556	N	79.1	Confident	76.9	Confident	77 Å²	77	59.3 Å²	59.3	41%	0.412	32%	0.318	S	S	.	.			trans	-106.8	115.4	-173	-172.2	2.3	0	0	0	110.4	A553 S558 F559 Y560	A553-N556 PolarHBondContact O-N 3Å; A553-N556 VanDerWaalsContact O-N 3.09Å; N556-S558 PolarHBondContact ND2-OG 2.87Å; N556-S558 PolarHBondContact O-N 2.84Å; N556-S558 PolarHBondContact OD1-OG 2.93Å; N556-F559 HydrophobicContact CB-CD2 4.01Å; N556-F559 WeakPolarHBondContact ND2-CD2 3.03Å; N556-F559 WeakPolarHBondContact ND2-CE2 3.42Å; N556-F559 PolarHBondContact O-N 3.24Å; N556-Y560 PolarHBondContact O-N 2.77Å; N556-Y560 VanDerWaalsContact O-N 3.12Å
557	E	73.6	Confident	78.8	Confident	105 Å²	105	56.3 Å²	56.3	49%	0.491	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-19.5	-173.4	-60.2	-179	165.3	0	0	114.3	P520 Q561	P520-E557 HydrophobicContact CB-CG 4.39Å; P520-E557 WeakPolarHBondContact CB-OE1 3.4Å; E557-Q561 WeakPolarHBondContact O-CG 3.43Å; E557-Q561 PolarHBondContact O-NE2 3.01Å
558	S	80.9	Confident	80.6	Confident	65 Å²	65	47.6 Å²	47.6	46%	0.455	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-30.2	173.7	65.9	0	0	0	0	113.1	A539 N556	A539-S558 PolarHBondContact N-O 3.43Å; N556-S558 PolarHBondContact ND2-OG 2.87Å; N556-S558 PolarHBondContact O-N 2.84Å; N556-S558 PolarHBondContact OD1-OG 2.93Å
559	F	84.1	Confident	82.1	Confident	33 Å²	33	44.7 Å²	44.7	15%	0.145	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-49.1	-177.1	-70	-85.9	0	0	0	111.9	R537 V538 A539 E543 M544 I548 A553 N556	R537-F559 WeakPolarHBondContact CA-O 3.35Å; V538-F559 PolarHBondContact N-O 3.41Å; A539-F559 HydrophobicContact CB-CB 4.34Å; A539-F559 HydrophobicContact CB-CD1 3.47Å; A539-F559 VanDerWaalsContact CB-CD1 3.47Å; A539-F559 HydrophobicContact CB-CE1 4.04Å; A539-F559 HydrophobicContact CB-CG 4.12Å; A539-F559 PolarHBondContact N-O 2.88Å; E543-F559 HydrophobicContact CB-CE1 4.31Å; M544-F559 HydrophobicContact SD-CD1 3.65Å; M544-F559 HydrophobicContact SD-CE1 4.23Å; I548-F559 HydrophobicContact CD1-CE1 3.98Å; I548-F559 HydrophobicContact CD1-CZ 3.91Å; A553-F559 HydrophobicContact CB-CB 4.45Å; N556-F559 HydrophobicContact CB-CD2 4.01Å; N556-F559 WeakPolarHBondContact ND2-CD2 3.03Å; N556-F559 WeakPolarHBondContact ND2-CE2 3.42Å; N556-F559 PolarHBondContact O-N 3.24Å
560	Y	86.4	Confident	83.5	Confident	29 Å²	29	40.3 Å²	40.3	11%	0.114	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141	-176.5	-74.2	-85.2	0	0	0	112.2	L535 C536 R537 M544 A553 H554 N556	L535-Y560 HydrophobicContact CD2-CD1 3.63Å; L535-Y560 HydrophobicContact CD2-CE1 4.31Å; L535-Y560 HydrophobicContact CD2-CG 3.86Å; L535-Y560 HydrophobicContact CG-CD1 3.83Å; L535-Y560 HydrophobicContact CG-CG 4.21Å; C536-Y560 WeakPolarHBondContact O-CA 3.44Å; R537-Y560 HydrophobicContact CB-CD1 4.18Å; R537-Y560 HydrophobicContact CB-CE1 3.82Å; R537-Y560 HydrophobicContact CG-CE1 4.47Å; M544-Y560 HydrophobicContact CE-CE2 4.31Å; A553-Y560 HydrophobicContact CB-CD2 4.14Å; A553-Y560 HydrophobicContact CB-CE2 3.95Å; H554-Y560 AromaticContact CE1-CE2 3.86Å; H554-Y560 AromaticContact CE1-CZ 3.73Å; H554-Y560 AromaticContact ND1-CD1 3.99Å; H554-Y560 AromaticContact ND1-CD2 3.43Å; H554-Y560 WeakPolarHBondContact ND1-CD2 3.24Å; H554-Y560 AromaticContact ND1-CE1 3.97Å; H554-Y560 AromaticContact ND1-CE2 3.41Å; H554-Y560 WeakPolarHBondContact ND1-CE2 3.37Å; H554-Y560 AromaticContact ND1-CG 3.73Å; H554-Y560 AromaticContact ND1-CZ 3.69Å; N556-Y560 PolarHBondContact O-N 2.77Å; N556-Y560 VanDerWaalsContact O-N 3.12Å
561	Q	89.9	Confident	84.8	Confident	43 Å²	43	36.2 Å²	36.2	20%	0.201	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	172.2	175.2	-64.5	-173.5	-1.4	0	0	109.9	L518 C536 V538 E557	L518-Q561 HydrophobicContact CD2-CB 4.47Å; C536-Q561 PolarHBondContact N-O 2.87Å; C536-Q561 PolarHBondContact O-N 2.74Å; C536-Q561 PolarHBondContact SG-O 2.89Å; C536-Q561 VanDerWaalsContact SG-O 3.38Å; V538-Q561 HydrophobicContact CG2-CB 3.93Å; V538-Q561 HydrophobicContact CG2-CG 3.81Å; E557-Q561 WeakPolarHBondContact O-CG 3.43Å; E557-Q561 PolarHBondContact O-NE2 3.01Å
562	C	90.9	Very high	86	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	109.1	-179	-72.2	0	0	0	0	111.1	S519 C528 V534	S519-C562 PolarHBondContact N-O 3.06Å; S519-C562 WeakPolarHBondContact O-CB 3.44Å; S519-C562 PolarHBondContact O-N 3.2Å; S519-C562 PolarHBondContact OG-O 3.23Å; S519-C562 VanDerWaalsContact OG-O 3.14Å; C528-C562 WeakPolarHBondContact CA-SG 3.28Å; C528-C562 HydrophobicContact CB-CB 3.78Å; C528-C562 WeakPolarHBondContact CB-SG 3.32Å; C528-C562 WeakPolarHBondContact SG-CB 3.28Å; C528-C562 CovalentContact SG-SG 2.03Å; C528-C562 PolarHBondContact SG-SG 3.47Å; V534-C562 WeakPolarHBondContact O-CA 3.4Å
563	C	92.8	Very high	87.1	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	136.1	174.5	-76.8	0	0	0	0	110.7	F509 I516 N517 L518 G533 V534 C536 I568	F509-C563 WeakPolarHBondContact CZ-SG 3.36Å; I516-C563 HydrophobicContact CG2-CB 4.35Å; N517-C563 WeakPolarHBondContact O-CA 3.33Å; L518-C563 WeakPolarHBondContact CD2-SG 3.15Å; G533-C563 WeakPolarHBondContact CA-O 3.36Å; V534-C563 HydrophobicContact CG2-CB 4.02Å; V534-C563 PolarHBondContact N-O 3.27Å; V534-C563 PolarHBondContact O-N 2.88Å; C536-C563 HydrophobicContact CB-CB 3.86Å; C536-C563 WeakPolarHBondContact CB-SG 3.45Å; C536-C563 WeakPolarHBondContact SG-CB 3.47Å; C536-C563 PolarHBondContact SG-N 3.45Å; C536-C563 VanDerWaalsContact SG-N 3.37Å; C536-C563 CovalentContact SG-SG 2.04Å; C536-C563 PolarHBondContact SG-SG 3.02Å; C563-I568 HydrophobicContact CB-CD1 3.89Å; C563-I568 HydrophobicContact CB-CG1 4.15Å
564	S	92.8	Very high	88.3	Confident	15 Å²	15	33.8 Å²	33.8	11%	0.105	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	152.2	172.5	59.3	0	0	0	0	110.3	N517	N517-S564 PolarHBondContact N-O 3.42Å; N517-S564 PolarHBondContact O-N 3.01Å
565	G	93.1	Very high	89.1	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	147.4	178.9	179.7	0	0	0	0	0	113.4	Y515 C567 I568 D569 W901	Y515-G565 CarbonylContact O-C 3.57Å; Y515-G565 VanDerWaalsContact O-C 3.28Å; Y515-G565 WeakPolarHBondContact O-CA 3.17Å; G565-C567 PolarHBondContact O-N 2.91Å; G565-I568 PolarHBondContact O-N 3.1Å; G565-D569 PolarHBondContact O-N 3.36Å; G565-D569 VanDerWaalsContact O-N 3.11Å; G565-W901 VanDerWaalsContact C-CE2 3.4Å
566	F	94.7	Very high	89.7	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-53.2	-40.4	-178.3	177.1	-80.1	0	0	0	113.1	P514 Y515 L570 F635 M636 L897 R898 W901	P514-F566 PolarHBondContact O-N 3.32Å; P514-F566 VanDerWaalsContact O-N 3.11Å; Y515-F566 HydrophobicContact CD1-CB 4.25Å; Y515-F566 HydrophobicContact CD1-CD1 4.08Å; Y515-F566 HydrophobicContact CD1-CG 4.41Å; Y515-F566 HydrophobicContact CE1-CD1 4.33Å; Y515-F566 PolarHBondContact O-N 3.36Å; Y515-F566 VanDerWaalsContact O-N 3.16Å; F566-L570 HydrophobicContact CE1-CD2 4.05Å; F566-L570 WeakPolarHBondContact O-CB 3.3Å; F566-L570 PolarHBondContact O-N 3.21Å; F566-F635 HydrophobicContact CD1-CE2 4.11Å; F566-F635 AromaticContact CE1-CD2 3.62Å; F566-F635 HydrophobicContact CE1-CD2 3.62Å; F566-F635 AromaticContact CE1-CE2 3.59Å; F566-F635 HydrophobicContact CE1-CE2 3.59Å; F566-F635 HydrophobicContact CZ-CD2 4.27Å; F566-M636 HydrophobicContact CD2-CE 4.11Å; F566-M636 HydrophobicContact CE1-CE 4.04Å; F566-M636 HydrophobicContact CE2-CE 3.55Å; F566-M636 HydrophobicContact CZ-CE 3.52Å; F566-L897 HydrophobicContact CD2-CB 3.76Å; F566-L897 HydrophobicContact CE2-CB 3.53Å; F566-L897 HydrophobicContact CZ-CB 4.35Å; F566-R898 HydrophobicContact CE2-CB 4.21Å; F566-W901 VanDerWaalsContact CA-CD1 3.48Å; F566-W901 HydrophobicContact CB-CB 4.14Å; F566-W901 HydrophobicContact CB-CG 4Å
567	C	95.4	Very high	90	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-73.4	-28.8	-179.9	-71.7	0	0	0	0	112.5	Y515 I516 G565 L571 L616	Y515-C567 WeakPolarHBondContact O-CB 3.3Å; Y515-C567 PolarHBondContact O-N 3.03Å; I516-C567 HydrophobicContact CD1-CB 4.13Å; I516-C567 HydrophobicContact CG1-CB 3.81Å; G565-C567 PolarHBondContact O-N 2.91Å; C567-L571 WeakPolarHBondContact O-CB 2.96Å; C567-L571 PolarHBondContact O-N 3.46Å; C567-L616 HydrophobicContact CB-CD1 4.01Å; C567-L616 HydrophobicContact CB-CD2 4.39Å; C567-L616 HydrophobicContact CB-CG 4Å; C567-L616 WeakPolarHBondContact O-CD2 3.39Å
568	I	94.6	Very high	90.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-73.1	-49.1	179.1	-57.2	-55	0	0	0	110.6	I516 V534 C563 G565 L570 L571 E572 L584	I516-I568 HydrophobicContact CD1-CD1 4.45Å; I516-I568 HydrophobicContact CG1-CD1 4.33Å; I516-I568 HydrophobicContact CG1-CG1 4.47Å; I516-I568 HydrophobicContact CG2-CD1 4.45Å; V534-I568 HydrophobicContact CB-CG2 4.31Å; V534-I568 HydrophobicContact CG1-CG2 3.84Å; V534-I568 HydrophobicContact CG2-CD1 4.28Å; V534-I568 HydrophobicContact CG2-CG2 3.54Å; C563-I568 HydrophobicContact CB-CD1 3.89Å; C563-I568 HydrophobicContact CB-CG1 4.15Å; G565-I568 PolarHBondContact O-N 3.1Å; I568-L570 PolarHBondContact O-N 2.87Å; I568-L571 WeakPolarHBondContact O-CB 3.42Å; I568-L571 PolarHBondContact O-N 3.31Å; I568-E572 PolarHBondContact O-N 3.32Å; I568-L584 HydrophobicContact CD1-CD1 3.89Å
569	D	93.8	Very high	90.6	Very high	11 Å²	11	25.2 Å²	25.2	6%	0.059	13%	0.127	C	C	.	.	H	α-helix	trans	-57.4	-35.2	173.5	-74.3	16.6	0	0	0	111.7	R532 G565 K573 L897 W901	R532-D569 VanDerWaalsContact CD-OD1 3.28Å; R532-D569 WeakPolarHBondContact CD-OD1 3.43Å; R532-D569 IonicContact CZ-OD2 2.87Å; R532-D569 IonicContact NH1-OD1 3.83Å; R532-D569 IonicContact NH1-OD2 3.19Å; R532-D569 PolarHBondContact NH1-OD2 3.14Å; G565-D569 PolarHBondContact O-N 3.36Å; G565-D569 VanDerWaalsContact O-N 3.11Å; D569-K573 PolarHBondContact O-N 3.18Å; D569-L897 HydrophobicContact CB-CD1 4.27Å; D569-L897 HydrophobicContact CB-CD2 3.67Å; D569-W901 VanDerWaalsContact CG-NE1 3.33Å; D569-W901 PolarHBondContact OD2-NE1 2.85Å
570	L	95.1	Very high	90.6	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-71.5	-38.4	175.9	179.6	59.1	0	0	0	112.4	F566 I568 F574 F635 F888 L894 L897	F566-L570 HydrophobicContact CE1-CD2 4.05Å; F566-L570 WeakPolarHBondContact O-CB 3.3Å; F566-L570 PolarHBondContact O-N 3.21Å; I568-L570 PolarHBondContact O-N 2.87Å; L570-F574 HydrophobicContact CD1-CD2 4.09Å; L570-F574 HydrophobicContact CD1-CE2 3.69Å; L570-F574 HydrophobicContact CD1-CZ 4.26Å; L570-F574 HydrophobicContact CD2-CE2 4.17Å; L570-F574 HydrophobicContact CG-CD2 3.97Å; L570-F574 HydrophobicContact CG-CE2 3.65Å; L570-F574 WeakPolarHBondContact O-CD2 3.18Å; L570-F574 PolarHBondContact O-N 3.46Å; L570-F635 HydrophobicContact CD2-CB 4.42Å; L570-F635 HydrophobicContact CD2-CD2 4.38Å; L570-F635 HydrophobicContact CD2-CG 4.27Å; L570-F888 HydrophobicContact CD1-CD2 3.77Å; L570-F888 HydrophobicContact CD1-CE2 4.02Å; L570-L894 HydrophobicContact CD1-CD2 3.78Å; L570-L894 HydrophobicContact CD2-CD2 4.44Å; L570-L897 HydrophobicContact CB-CD1 4.21Å
571	L	94.6	Very high	90.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.6	-44.8	176.4	-179.1	56.4	0	0	0	112.1	I507 C567 I568 K573 F574 A575 F580 Y582 L584 L616	I507-L571 HydrophobicContact CD1-CD1 3.56Å; I507-L571 HydrophobicContact CD1-CD2 4.03Å; I507-L571 HydrophobicContact CD1-CG 4.46Å; C567-L571 WeakPolarHBondContact O-CB 2.96Å; C567-L571 PolarHBondContact O-N 3.46Å; I568-L571 WeakPolarHBondContact O-CB 3.42Å; I568-L571 PolarHBondContact O-N 3.31Å; L571-K573 PolarHBondContact O-N 3.34Å; L571-F574 WeakPolarHBondContact O-CB 3.49Å; L571-F574 PolarHBondContact O-N 2.89Å; L571-A575 WeakPolarHBondContact O-CB 3.38Å; L571-A575 PolarHBondContact O-N 2.89Å; L571-F580 HydrophobicContact CD1-CE2 3.98Å; L571-F580 HydrophobicContact CD1-CZ 3.9Å; L571-Y582 HydrophobicContact CD1-CD1 4.25Å; L571-Y582 HydrophobicContact CD1-CE1 4.41Å; L571-Y582 HydrophobicContact CD2-CD1 4.18Å; L571-Y582 HydrophobicContact CD2-CD2 3.76Å; L571-Y582 HydrophobicContact CD2-CE1 4.02Å; L571-Y582 HydrophobicContact CD2-CE2 3.58Å; L571-Y582 HydrophobicContact CD2-CG 4.05Å; L571-Y582 HydrophobicContact CG-CD1 4.09Å; L571-Y582 HydrophobicContact CG-CE1 3.81Å; L571-Y582 HydrophobicContact CG-CE2 4.29Å; L571-Y582 HydrophobicContact CG-CG 4.45Å; L571-L584 HydrophobicContact CD2-CD1 4.1Å; L571-L584 HydrophobicContact CD2-CD2 3.87Å; L571-L584 HydrophobicContact CD2-CG 4.09Å; L571-L616 HydrophobicContact CB-CD2 3.62Å; L571-L616 HydrophobicContact CD1-CD2 4.09Å; L571-L616 HydrophobicContact CD2-CD2 4.05Å; L571-L616 HydrophobicContact CG-CD2 4.12Å
572	E	91	Very high	90.3	Very high	80 Å²	80	25.9 Å²	25.9	37%	0.374	13%	0.134	S	C	.	.	H	α-helix	trans	-58.8	-48.2	178.3	-174.5	168.1	-126	0	0	110.6	I568 F574 A575 E576	I568-E572 PolarHBondContact O-N 3.32Å; E572-F574 VanDerWaalsContact C-N 3.34Å; E572-F574 PolarHBondContact O-N 3.32Å; E572-A575 WeakPolarHBondContact O-CB 3.47Å; E572-A575 PolarHBondContact O-N 2.99Å; E572-E576 PolarHBondContact O-N 3.24Å
573	K	91.5	Very high	90.3	Very high	42 Å²	42	28.3 Å²	28.3	18%	0.183	15%	0.145	C	C	.	.	H	α-helix	trans	-62.2	-35.4	175	-174.7	176.6	162.5	66	0	113.4	D569 L571 E577 F888 D893	D569-K573 PolarHBondContact O-N 3.18Å; L571-K573 PolarHBondContact O-N 3.34Å; K573-E577 IonicContact NZ-OE1 3.78Å; K573-E577 PolarHBondContact NZ-OE1 2.9Å; K573-E577 PolarHBondContact O-N 3.43Å; K573-E577 VanDerWaalsContact O-N 3.12Å; K573-F888 HydrophobicContact CD-CD1 4.5Å; K573-F888 HydrophobicContact CD-CD2 4.35Å; K573-F888 HydrophobicContact CD-CE1 4.32Å; K573-F888 HydrophobicContact CD-CE2 4.12Å; K573-F888 HydrophobicContact CD-CZ 4.11Å; K573-F888 VanDerWaalsContact CE-CE1 3.45Å; K573-F888 HydrophobicContact CG-CE1 4.25Å; K573-F888 HydrophobicContact CG-CE2 4Å; K573-F888 HydrophobicContact CG-CZ 3.75Å; K573-D893 WeakPolarHBondContact CE-OD2 3.49Å; K573-D893 IonicContact NZ-OD2 2.68Å; K573-D893 PolarHBondContact NZ-OD2 3.3Å
574	F	93.7	Very high	90.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.6	-44.1	169.9	-82	-58.4	0	0	0	111.7	L570 L571 E572 E576 E577 L578 F580 L869 F881 R884 L885 F888	L570-F574 HydrophobicContact CD1-CD2 4.09Å; L570-F574 HydrophobicContact CD1-CE2 3.69Å; L570-F574 HydrophobicContact CD1-CZ 4.26Å; L570-F574 HydrophobicContact CD2-CE2 4.17Å; L570-F574 HydrophobicContact CG-CD2 3.97Å; L570-F574 HydrophobicContact CG-CE2 3.65Å; L570-F574 WeakPolarHBondContact O-CD2 3.18Å; L570-F574 PolarHBondContact O-N 3.46Å; L571-F574 WeakPolarHBondContact O-CB 3.49Å; L571-F574 PolarHBondContact O-N 2.89Å; E572-F574 VanDerWaalsContact C-N 3.34Å; E572-F574 PolarHBondContact O-N 3.32Å; F574-E576 PolarHBondContact O-N 2.86Å; F574-E577 PolarHBondContact O-N 3.17Å; F574-L578 HydrophobicContact CD1-CD1 4.29Å; F574-L578 WeakPolarHBondContact O-CB 3.34Å; F574-L578 PolarHBondContact O-N 3.08Å; F574-F580 HydrophobicContact CB-CE1 4.02Å; F574-F580 HydrophobicContact CB-CZ 4.03Å; F574-F580 WeakPolarHBondContact O-CE1 3.27Å; F574-L869 HydrophobicContact CE2-CD1 3.95Å; F574-L869 HydrophobicContact CZ-CD1 3.97Å; F574-F881 HydrophobicContact CB-CE1 3.94Å; F574-F881 AromaticContact CD1-CD1 3.69Å; F574-F881 HydrophobicContact CD1-CD1 3.69Å; F574-F881 AromaticContact CD1-CE1 3.98Å; F574-F881 HydrophobicContact CD1-CE1 3.98Å; F574-F881 HydrophobicContact CD2-CD1 4.12Å; F574-F881 HydrophobicContact CD2-CE1 4.09Å; F574-F881 AromaticContact CE1-CD1 3.77Å; F574-F881 HydrophobicContact CE1-CD1 3.77Å; F574-F881 HydrophobicContact CE1-CE1 4.49Å; F574-F881 HydrophobicContact CE2-CD1 4.18Å; F574-F881 AromaticContact CG-CD1 3.89Å; F574-F881 HydrophobicContact CG-CD1 3.89Å; F574-F881 AromaticContact CG-CE1 3.77Å; F574-F881 HydrophobicContact CG-CE1 3.77Å; F574-F881 HydrophobicContact CZ-CD1 4.02Å; F574-R884 HydrophobicContact CD1-CB 4.1Å; F574-R884 HydrophobicContact CE1-CB 3.82Å; F574-L885 HydrophobicContact CE1-CB 4.44Å; F574-L885 HydrophobicContact CZ-CB 4.1Å; F574-L885 HydrophobicContact CZ-CD1 4.19Å; F574-F888 AromaticContact CD1-CE2 3.6Å; F574-F888 HydrophobicContact CD1-CE2 3.6Å; F574-F888 AromaticContact CD1-CZ 3.95Å; F574-F888 HydrophobicContact CD1-CZ 3.95Å; F574-F888 HydrophobicContact CD2-CE2 4.4Å; F574-F888 HydrophobicContact CE1-CD2 4.19Å; F574-F888 AromaticContact CE1-CE2 3.59Å; F574-F888 HydrophobicContact CE1-CE2 3.59Å; F574-F888 HydrophobicContact CE1-CZ 4.19Å; F574-F888 HydrophobicContact CE2-CE2 4.4Å; F574-F888 HydrophobicContact CG-CE2 4.02Å; F574-F888 HydrophobicContact CZ-CD2 4.31Å; F574-F888 HydrophobicContact CZ-CE2 4.01Å
575	A	89.5	Confident	90.2	Very high	16 Å²	16	28.1 Å²	28.1	13%	0.132	14%	0.143	C	C	.	.	H	α-helix	trans	-65.9	-36.2	-178.6	0	0	0	0	0	112.7	L571 E572 G579 F580 Y582	L571-A575 WeakPolarHBondContact O-CB 3.38Å; L571-A575 PolarHBondContact O-N 2.89Å; E572-A575 WeakPolarHBondContact O-CB 3.47Å; E572-A575 PolarHBondContact O-N 2.99Å; A575-G579 WeakPolarHBondContact O-CA 3.5Å; A575-G579 PolarHBondContact O-N 3.39Å; A575-F580 HydrophobicContact CB-CD2 4.29Å; A575-F580 HydrophobicContact CB-CE1 4.24Å; A575-F580 HydrophobicContact CB-CE2 4.01Å; A575-F580 HydrophobicContact CB-CZ 3.97Å; A575-F580 PolarHBondContact O-N 2.92Å; A575-Y582 HydrophobicContact CB-CD1 4.07Å; A575-Y582 HydrophobicContact CB-CE1 3.8Å
576	E	85.8	Confident	90.3	Very high	153 Å²	153	32 Å²	32	72%	0.715	16%	0.158	S	C	*	.	H	α-helix	trans	-64.6	-52.5	170.7	-70.3	-170.8	141.3	0	0	112.3	E572 F574	E572-E576 PolarHBondContact O-N 3.24Å; F574-E576 PolarHBondContact O-N 2.86Å
577	E	86.3	Confident	90.2	Very high	60 Å²	60	32.3 Å²	32.3	28%	0.28	16%	0.159	S	C	.	.	H	α-helix	trans	-80.4	-16.7	-173.3	-76.2	-160.2	-134.1	0	0	114.9	K573 F574 R884 F888	K573-E577 IonicContact NZ-OE1 3.78Å; K573-E577 PolarHBondContact NZ-OE1 2.9Å; K573-E577 PolarHBondContact O-N 3.43Å; K573-E577 VanDerWaalsContact O-N 3.12Å; F574-E577 PolarHBondContact O-N 3.17Å; E577-R884 PolarHBondContact O-NH2 2.96Å; E577-R884 IonicContact OE2-CZ 2.64Å; E577-R884 VanDerWaalsContact OE2-CZ 3.26Å; E577-R884 IonicContact OE2-NH1 2.7Å; E577-R884 PolarHBondContact OE2-NH1 3.3Å; E577-R884 IonicContact OE2-NH2 2.87Å; E577-F888 VanDerWaalsContact OE1-CE1 3.27Å; E577-F888 WeakPolarHBondContact OE1-CE1 3.25Å
578	L	86.2	Confident	89.8	Confident	23 Å²	23	36.4 Å²	36.4	12%	0.12	18%	0.178	C	C	.	.	H	α-helix	trans	-107.7	-11.8	176	-66.7	-176.9	0	0	0	113.9	F574 F580 M880 F881 R884	F574-L578 HydrophobicContact CD1-CD1 4.29Å; F574-L578 WeakPolarHBondContact O-CB 3.34Å; F574-L578 PolarHBondContact O-N 3.08Å; L578-F580 HydrophobicContact CB-CD1 3.72Å; L578-F580 HydrophobicContact CB-CE1 3.93Å; L578-F580 HydrophobicContact CD1-CE1 4.16Å; L578-M880 HydrophobicContact CB-CE 4.12Å; L578-M880 HydrophobicContact CD1-CG 4.15Å; L578-M880 HydrophobicContact CD2-CE 3.77Å; L578-M880 HydrophobicContact CD2-CG 3.71Å; L578-M880 HydrophobicContact CG-CE 4.37Å; L578-F881 HydrophobicContact CD1-CD1 4.14Å; L578-F881 HydrophobicContact CD1-CD2 3.93Å; L578-F881 HydrophobicContact CD1-CE1 4.05Å; L578-F881 HydrophobicContact CD1-CE2 3.84Å; L578-F881 HydrophobicContact CD1-CG 4.1Å; L578-F881 HydrophobicContact CD1-CZ 3.91Å; L578-R884 HydrophobicContact CD1-CG 4.35Å; L578-R884 HydrophobicContact CD2-CG 3.44Å; L578-R884 VanDerWaalsContact CD2-CG 3.44Å; L578-R884 HydrophobicContact CG-CG 3.96Å
579	G	80	Confident	89.4	Confident	23 Å²	23	40.9 Å²	40.9	24%	0.237	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	63.9	179.9	0	0	0	0	0	112.6	K502 A575	K502-G579 VanDerWaalsContact CA-O 3.31Å; K502-G579 WeakPolarHBondContact CA-O 3.25Å; A575-G579 WeakPolarHBondContact O-CA 3.5Å; A575-G579 PolarHBondContact O-N 3.39Å
580	F	83.8	Confident	89.1	Confident	7 Å²	7	42.4 Å²	42.4	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	168.6	172.8	67.5	-93.5	0	0	0	113	F503 L505 I507 L571 F574 A575 L578 Y582 F881	F503-F580 HydrophobicContact CD1-CB 4Å; F503-F580 HydrophobicContact CD2-CB 3.88Å; F503-F580 HydrophobicContact CE1-CB 3.84Å; F503-F580 HydrophobicContact CE2-CB 3.73Å; F503-F580 HydrophobicContact CE2-CD1 4.34Å; F503-F580 HydrophobicContact CE2-CG 4.13Å; F503-F580 HydrophobicContact CG-CB 4.02Å; F503-F580 HydrophobicContact CZ-CB 3.71Å; F503-F580 AromaticContact CZ-CD1 3.96Å; F503-F580 HydrophobicContact CZ-CD1 3.96Å; F503-F580 HydrophobicContact CZ-CG 4.11Å; F503-F580 WeakPolarHBondContact O-CA 3.44Å; L505-F580 HydrophobicContact CD1-CD2 3.96Å; L505-F580 HydrophobicContact CD1-CE2 3.95Å; L505-F580 HydrophobicContact CD1-CG 4.41Å; L505-F580 HydrophobicContact CD1-CZ 4.38Å; L505-F580 HydrophobicContact CG-CD2 4.37Å; I507-F580 HydrophobicContact CD1-CE2 4.44Å; L571-F580 HydrophobicContact CD1-CE2 3.98Å; L571-F580 HydrophobicContact CD1-CZ 3.9Å; F574-F580 HydrophobicContact CB-CE1 4.02Å; F574-F580 HydrophobicContact CB-CZ 4.03Å; F574-F580 WeakPolarHBondContact O-CE1 3.27Å; A575-F580 HydrophobicContact CB-CD2 4.29Å; A575-F580 HydrophobicContact CB-CE1 4.24Å; A575-F580 HydrophobicContact CB-CE2 4.01Å; A575-F580 HydrophobicContact CB-CZ 3.97Å; A575-F580 PolarHBondContact O-N 2.92Å; L578-F580 HydrophobicContact CB-CD1 3.72Å; L578-F580 HydrophobicContact CB-CE1 3.93Å; L578-F580 HydrophobicContact CD1-CE1 4.16Å; F580-Y582 HydrophobicContact CD2-CD1 4.18Å; F580-Y582 AromaticContact CE2-CD1 3.8Å; F580-Y582 HydrophobicContact CE2-CD1 3.8Å; F580-Y582 HydrophobicContact CE2-CG 4.44Å; F580-F881 HydrophobicContact CD1-CZ 4.41Å; F580-F881 HydrophobicContact CE1-CE1 4.06Å; F580-F881 HydrophobicContact CE1-CE2 4.49Å; F580-F881 AromaticContact CE1-CZ 3.57Å; F580-F881 HydrophobicContact CE1-CZ 3.57Å; F580-F881 HydrophobicContact CZ-CE1 4.05Å; F580-F881 AromaticContact CZ-CZ 3.7Å; F580-F881 HydrophobicContact CZ-CZ 3.7Å
581	T	81.2	Confident	88.8	Confident	57 Å²	57	45.2 Å²	45.2	35%	0.35	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	155.7	169.9	57	0	0	0	0	109	K502 F503 H504 L505	K502-T581 HydrophobicContact CB-CG2 3.97Å; K502-T581 HydrophobicContact CD-CG2 3.66Å; K502-T581 HydrophobicContact CG-CG2 4.39Å; F503-T581 PolarHBondContact O-N 3.41Å; F503-T581 PolarHBondContact O-OG1 3.28Å; H504-T581 CarbonylContact C-O 3.55Å; H504-T581 VanDerWaalsContact CA-O 3.31Å; H504-T581 WeakPolarHBondContact CA-O 3.41Å; H504-T581 PolarHBondContact ND1-OG1 3.23Å; L505-T581 PolarHBondContact N-O 3.49Å
582	Y	90.1	Very high	88.6	Confident	56 Å²	56	46.6 Å²	46.6	22%	0.22	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	152.8	-176.8	57	-98.2	0	0	0	112.8	L505 I507 L571 A575 F580 L584	L505-Y582 CarbonylContact O-C 3.58Å; L505-Y582 WeakPolarHBondContact O-CA 3.33Å; I507-Y582 HydrophobicContact CD1-CG 4.25Å; L571-Y582 HydrophobicContact CD1-CD1 4.25Å; L571-Y582 HydrophobicContact CD1-CE1 4.41Å; L571-Y582 HydrophobicContact CD2-CD1 4.18Å; L571-Y582 HydrophobicContact CD2-CD2 3.76Å; L571-Y582 HydrophobicContact CD2-CE1 4.02Å; L571-Y582 HydrophobicContact CD2-CE2 3.58Å; L571-Y582 HydrophobicContact CD2-CG 4.05Å; L571-Y582 HydrophobicContact CG-CD1 4.09Å; L571-Y582 HydrophobicContact CG-CE1 3.81Å; L571-Y582 HydrophobicContact CG-CE2 4.29Å; L571-Y582 HydrophobicContact CG-CG 4.45Å; A575-Y582 HydrophobicContact CB-CD1 4.07Å; A575-Y582 HydrophobicContact CB-CE1 3.8Å; F580-Y582 HydrophobicContact CD2-CD1 4.18Å; F580-Y582 AromaticContact CE2-CD1 3.8Å; F580-Y582 HydrophobicContact CE2-CD1 3.8Å; F580-Y582 HydrophobicContact CE2-CG 4.44Å; Y582-L584 HydrophobicContact CD2-CD1 4.32Å; Y582-L584 HydrophobicContact CD2-CG 3.96Å; Y582-L584 HydrophobicContact CE2-CD1 3.84Å; Y582-L584 HydrophobicContact CE2-CG 4Å
583	E	89.5	Confident	88.4	Confident	51 Å²	51	42.8 Å²	42.8	24%	0.238	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	128.1	161	-171.7	-164	-176.7	0	0	108	L505 K506 I507 R537 V585	L505-E583 PolarHBondContact O-N 2.94Å; K506-E583 HydrophobicContact CG-CB 4.47Å; K506-E583 WeakPolarHBondContact CG-OE2 3.49Å; I507-E583 PolarHBondContact N-O 2.85Å; R537-E583 IonicContact CZ-OE1 3.6Å; R537-E583 VanDerWaalsContact CZ-OE1 3.26Å; R537-E583 IonicContact NE-OE1 2.65Å; R537-E583 PolarHBondContact NE-OE1 2.85Å; R537-E583 IonicContact NH2-OE1 3.45Å; R537-E583 PolarHBondContact NH2-OE1 2.83Å; R537-E583 IonicContact NH2-OE2 2.68Å; E583-V585 HydrophobicContact CG-CG2 3.74Å; E583-V585 WeakPolarHBondContact OE1-CG2 3.38Å
584	L	92.5	Very high	88.2	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125	170.4	-82.5	167.5	0	0	0	110.1	I507 F509 V534 C536 R537 I568 L571 Y582	I507-L584 HydrophobicContact CB-CD2 4.2Å; I507-L584 HydrophobicContact CG2-CD2 4.07Å; I507-L584 WeakPolarHBondContact O-CA 3.08Å; F509-L584 HydrophobicContact CD1-CB 4.27Å; F509-L584 HydrophobicContact CD1-CD2 4.03Å; F509-L584 HydrophobicContact CE1-CB 4.13Å; V534-L584 HydrophobicContact CG2-CD1 3.45Å; V534-L584 VanDerWaalsContact CG2-CD1 3.45Å; C536-L584 HydrophobicContact CB-CB 3.6Å; C536-L584 HydrophobicContact CB-CD1 4.33Å; R537-L584 PolarHBondContact N-O 3.33Å; I568-L584 HydrophobicContact CD1-CD1 3.89Å; L571-L584 HydrophobicContact CD2-CD1 4.1Å; L571-L584 HydrophobicContact CD2-CD2 3.87Å; L571-L584 HydrophobicContact CD2-CG 4.09Å; Y582-L584 HydrophobicContact CD2-CD1 4.32Å; Y582-L584 HydrophobicContact CD2-CG 3.96Å; Y582-L584 HydrophobicContact CE2-CD1 3.84Å; Y582-L584 HydrophobicContact CE2-CG 4Å
585	V	92.8	Very high	87.8	Confident	7 Å²	7	46.6 Å²	46.6	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	128.7	-176.4	-172.2	0	0	0	0	110.8	K506 I507 T508 F509 E583	K506-V585 HydrophobicContact CG-CG2 4.09Å; I507-V585 PolarHBondContact O-N 3.25Å; T508-V585 CarbonylContact C-O 3.58Å; T508-V585 VanDerWaalsContact CA-O 3.28Å; T508-V585 WeakPolarHBondContact CA-O 3.23Å; F509-V585 VanDerWaalsContact CD1-C 3.47Å; F509-V585 WeakPolarHBondContact CD1-O 3.35Å; F509-V585 PolarHBondContact N-O 3.34Å; E583-V585 HydrophobicContact CG-CG2 3.74Å; E583-V585 WeakPolarHBondContact OE1-CG2 3.38Å
586	R	93.3	Very high	87.5	Confident	83 Å²	83	49.4 Å²	49.4	31%	0.313	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	137.7	173.2	-170.1	-175.6	-177.8	-152.9	6.9	110.1	F509 E511 R537 E588	F509-R586 HydrophobicContact CE1-CB 4.26Å; F509-R586 HydrophobicContact CE2-CB 4.33Å; F509-R586 HydrophobicContact CE2-CG 4.47Å; F509-R586 HydrophobicContact CZ-CB 3.9Å; E511-R586 IonicContact OE1-CZ 2.65Å; E511-R586 IonicContact OE1-NE 3.31Å; E511-R586 PolarHBondContact OE1-NE 3.48Å; E511-R586 IonicContact OE1-NH2 2.99Å; E511-R586 PolarHBondContact OE1-NH2 3.48Å; E511-R586 IonicContact OE2-NH2 2.76Å; R537-R586 PolarHBondContact O-N 3.14Å; R586-E588 PolarHBondContact O-N 3.49Å
587	V	93.1	Very high	87.4	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.03	26%	0.261	C	S	.	.			trans	-61.1	126.6	174.6	56.3	0	0	0	0	112.1	F509 L510 D589 G590 L603	F509-V587 PolarHBondContact O-N 3.49Å; L510-V587 HydrophobicContact CB-CG1 3.95Å; L510-V587 HydrophobicContact CD1-CG1 3.77Å; L510-V587 HydrophobicContact CG-CG1 4.3Å; V587-D589 VanDerWaalsContact C-N 3.31Å; V587-D589 HydrophobicContact CG2-CB 4.28Å; V587-D589 PolarHBondContact O-N 3.14Å; V587-G590 PolarHBondContact O-N 3.48Å; V587-L603 HydrophobicContact CB-CD2 3.8Å; V587-L603 HydrophobicContact CB-CG 4.34Å; V587-L603 HydrophobicContact CG1-CD2 3.93Å; V587-L603 HydrophobicContact CG1-CG 4.23Å; V587-L603 HydrophobicContact CG2-CD2 4.37Å; V587-L603 HydrophobicContact CG2-CG 4.49Å
588	E	87.5	Confident	87.3	Confident	86 Å²	86	50.1 Å²	50.1	40%	0.402	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-36.3	-174.8	-62.6	177.3	134.3	0	0	112.8	A540 D541 R586 G590 K611	A540-E588 HydrophobicContact CB-CG 4.26Å; A540-E588 WeakPolarHBondContact CB-OE1 3.47Å; D541-E588 PolarHBondContact N-OE1 2.87Å; R586-E588 PolarHBondContact O-N 3.49Å; E588-G590 PolarHBondContact O-N 2.73Å; E588-K611 IonicContact OE2-NZ 2.64Å; E588-K611 PolarHBondContact OE2-NZ 3.02Å
589	D	85.8	Confident	87.4	Confident	95 Å²	95	56.9 Å²	56.9	51%	0.508	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-18.3	179.4	-91.5	-4.7	0	0	0	114.5	V587 K591 G602	V587-D589 VanDerWaalsContact C-N 3.31Å; V587-D589 HydrophobicContact CG2-CB 4.28Å; V587-D589 PolarHBondContact O-N 3.14Å; D589-K591 HydrophobicContact CB-CB 4.16Å; D589-K591 HydrophobicContact CB-CG 4.35Å; D589-K591 PolarHBondContact O-N 3.33Å; D589-G602 PolarHBondContact OD2-N 3.26Å
590	G	87.7	Confident	87.9	Confident	43 Å²	43	58.2 Å²	58.2	44%	0.443	31%	0.306	S	S	.	.			trans	63	16.6	-167.9	0	0	0	0	0	115.3	V587 E588	V587-G590 PolarHBondContact O-N 3.48Å; E588-G590 PolarHBondContact O-N 2.73Å
591	K	89.8	Confident	88.3	Confident	58 Å²	58	58.4 Å²	58.4	25%	0.252	31%	0.307	S	S	.	.			trans	-112.6	146.4	-172.9	-71.4	178	178	-178.3	0	113.9	D589 G593 E596 N601 G602 L603	D589-K591 HydrophobicContact CB-CB 4.16Å; D589-K591 HydrophobicContact CB-CG 4.35Å; D589-K591 PolarHBondContact O-N 3.33Å; K591-G593 VanDerWaalsContact C-N 3.25Å; K591-G593 PolarHBondContact O-N 3Å; K591-E596 IonicContact NZ-OE2 2.72Å; K591-N601 HydrophobicContact CD-CB 4.19Å; K591-G602 VanDerWaalsContact O-CA 3.3Å; K591-G602 WeakPolarHBondContact O-CA 3.46Å; K591-L603 PolarHBondContact O-N 3.12Å; K591-L603 VanDerWaalsContact O-N 3.17Å
592	W	89	Confident	88.8	Confident	29 Å²	29	55.7 Å²	55.7	11%	0.11	29%	0.291	C	S	.	.			trans	-66.8	-14.4	176.9	-69.9	109.9	0	0	0	116.2	L510 E512 L603 T617 S618 R625	L510-W592 HydrophobicContact CB-CZ3 4.46Å; L510-W592 HydrophobicContact CD2-CD2 3.68Å; L510-W592 HydrophobicContact CD2-CE3 3.97Å; L510-W592 HydrophobicContact CD2-CG 4.1Å; L510-W592 HydrophobicContact CD2-CH2 4.26Å; L510-W592 HydrophobicContact CD2-CZ2 4.01Å; L510-W592 HydrophobicContact CD2-CZ3 4.25Å; E512-W592 HydrophobicContact CB-CH2 4.13Å; E512-W592 HydrophobicContact CB-CZ2 4.32Å; E512-W592 WeakPolarHBondContact OE2-CH2 3.47Å; W592-L603 HydrophobicContact CE3-CD1 3.95Å; W592-L603 HydrophobicContact CZ3-CD1 4.36Å; W592-T617 HydrophobicContact CZ3-CG2 3.82Å; W592-S618 WeakPolarHBondContact CH2-OG 3.46Å; W592-R625 PolarHBondContact O-NH2 3.43Å; W592-R625 VanDerWaalsContact O-NH2 3.14Å
593	G	88.5	Confident	88.9	Confident	1 Å²	1	53 Å²	53	1%	0.01	28%	0.28	C	S	.	.			trans	84	101.6	-171.4	0	0	0	0	0	113.6	K591 N601 R625	K591-G593 VanDerWaalsContact C-N 3.25Å; K591-G593 PolarHBondContact O-N 3Å; G593-N601 WeakPolarHBondContact CA-O 3.31Å; G593-N601 WeakPolarHBondContact CA-OD1 3.18Å; G593-R625 PolarHBondContact O-NE 3.12Å; G593-R625 PolarHBondContact O-NH2 3.09Å
594	T	86.5	Confident	89.2	Confident	22 Å²	22	50.6 Å²	50.6	14%	0.135	27%	0.269	C	S	.	.			trans	-125.7	159.8	171.1	46	0	0	0	0	109.5	N601 Y795	T594-N601 PolarHBondContact N-OD1 3.02Å; T594-N601 PolarHBondContact O-N 3.23Å; T594-N601 PolarHBondContact O-OD1 3.3Å; T594-N601 PolarHBondContact OG1-ND2 2.91Å; T594-N601 PolarHBondContact OG1-OD1 2.97Å; T594-Y795 VanDerWaalsContact CG2-O 3.32Å; T594-Y795 WeakPolarHBondContact CG2-O 3.37Å
595	L	85.9	Confident	89.2	Confident	99 Å²	99	50.9 Å²	50.9	52%	0.518	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	109	178.6	-174.4	69.4	0	0	0	109.9	W600	L595-W600 HydrophobicContact CB-CE3 4.33Å; L595-W600 HydrophobicContact CB-CH2 4.18Å; L595-W600 HydrophobicContact CB-CZ2 4.35Å; L595-W600 HydrophobicContact CB-CZ3 4.16Å; L595-W600 HydrophobicContact CD1-CD2 4.17Å; L595-W600 HydrophobicContact CD1-CG 4.39Å; L595-W600 HydrophobicContact CD1-CZ2 4.33Å
596	E	81.6	Confident	89.2	Confident	76 Å²	76	51.1 Å²	51.1	36%	0.355	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	120.1	-175.1	-172.3	171.7	-170.9	0	0	109.5	K591 G598 K599 N601	K591-E596 IonicContact NZ-OE2 2.72Å; E596-G598 PolarHBondContact O-N 3.07Å; E596-G598 VanDerWaalsContact O-N 3.11Å; E596-K599 PolarHBondContact N-O 3.29Å; E596-K599 PolarHBondContact O-N 3.46Å; E596-K599 VanDerWaalsContact O-O 3.06Å; E596-N601 PolarHBondContact OE2-ND2 3.35Å
597	N	84.3	Confident	89.2	Confident	163 Å²	163	47.3 Å²	47.3	87%	0.872	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	32.2	-176.2	-58.6	-54.9	0	0	0	114.6	K599	N597-K599 VanDerWaalsContact C-N 3.31Å; N597-K599 PolarHBondContact O-N 3.35Å
598	G	83.8	Confident	89.1	Confident	64 Å²	64	50.3 Å²	50.3	66%	0.66	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	6.4	-178.2	0	0	0	0	0	115.1	E596	E596-G598 PolarHBondContact O-N 3.07Å; E596-G598 VanDerWaalsContact O-N 3.11Å
599	K	89.4	Confident	89.3	Confident	165 Å²	165	51.5 Å²	51.5	72%	0.717	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	149.2	171.2	-67.1	-173.7	177.1	-175	0	110.7	E596 N597	E596-K599 PolarHBondContact N-O 3.29Å; E596-K599 PolarHBondContact O-N 3.46Å; E596-K599 VanDerWaalsContact O-O 3.06Å; N597-K599 VanDerWaalsContact C-N 3.31Å; N597-K599 PolarHBondContact O-N 3.35Å
600	W	90.9	Very high	89.4	Confident	51 Å²	51	56.6 Å²	56.6	19%	0.193	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	145.8	168	-67.3	99.8	0	0	0	110.1	L595 I604 A605 E624 R625 V628	L595-W600 HydrophobicContact CB-CE3 4.33Å; L595-W600 HydrophobicContact CB-CH2 4.18Å; L595-W600 HydrophobicContact CB-CZ2 4.35Å; L595-W600 HydrophobicContact CB-CZ3 4.16Å; L595-W600 HydrophobicContact CD1-CD2 4.17Å; L595-W600 HydrophobicContact CD1-CG 4.39Å; L595-W600 HydrophobicContact CD1-CZ2 4.33Å; W600-I604 HydrophobicContact CB-CB 4.48Å; W600-I604 HydrophobicContact CB-CG2 4.15Å; W600-I604 HydrophobicContact CD2-CB 4.32Å; W600-I604 HydrophobicContact CD2-CG2 3.58Å; W600-I604 HydrophobicContact CE3-CB 3.99Å; W600-I604 HydrophobicContact CE3-CG1 4.42Å; W600-I604 HydrophobicContact CE3-CG2 3.65Å; W600-I604 HydrophobicContact CG-CG2 3.8Å; W600-I604 HydrophobicContact CZ3-CG2 4.27Å; W600-A605 HydrophobicContact CB-CB 4.25Å; W600-A605 WeakPolarHBondContact O-CB 3.06Å; W600-E624 HydrophobicContact CH2-CB 4.22Å; W600-E624 WeakPolarHBondContact CH2-O 3.31Å; W600-E624 VanDerWaalsContact CZ2-O 3.23Å; W600-E624 WeakPolarHBondContact CZ2-O 3.4Å; W600-R625 HydrophobicContact CH2-CG 4.19Å; W600-R625 HydrophobicContact CZ3-CG 4.2Å; W600-V628 HydrophobicContact CZ2-CG2 3.86Å
601	N	91	Very high	89.5	Confident	12 Å²	12	58.1 Å²	58.1	6%	0.064	29%	0.293	C	S	.	.			trans	-110.4	174	167.7	58.5	37.6	0	0	0	110.5	K591 G593 T594 E596 A605	K591-N601 HydrophobicContact CD-CB 4.19Å; G593-N601 WeakPolarHBondContact CA-O 3.31Å; G593-N601 WeakPolarHBondContact CA-OD1 3.18Å; T594-N601 PolarHBondContact N-OD1 3.02Å; T594-N601 PolarHBondContact O-N 3.23Å; T594-N601 PolarHBondContact O-OD1 3.3Å; T594-N601 PolarHBondContact OG1-ND2 2.91Å; T594-N601 PolarHBondContact OG1-OD1 2.97Å; E596-N601 PolarHBondContact OE2-ND2 3.35Å; N601-A605 PolarHBondContact O-N 3.34Å
602	G	91.6	Very high	89.5	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	54	-146.1	168.9	0	0	0	0	0	116.8	D589 K591 I604 A605 D606	D589-G602 PolarHBondContact OD2-N 3.26Å; K591-G602 VanDerWaalsContact O-CA 3.3Å; K591-G602 WeakPolarHBondContact O-CA 3.46Å; G602-I604 PolarHBondContact O-N 3.07Å; G602-I604 VanDerWaalsContact O-N 3.08Å; G602-A605 WeakPolarHBondContact O-CA 3.38Å; G602-A605 VanDerWaalsContact O-CB 3.3Å; G602-A605 WeakPolarHBondContact O-CB 3.43Å; G602-A605 PolarHBondContact O-N 3.16Å; G602-D606 PolarHBondContact O-N 2.82Å
603	L	93.5	Very high	89.7	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-51.3	-36.7	-173	-66.7	168.3	0	0	0	114.5	L510 V587 K591 W592 L607 V615 T617 L619	L510-L603 HydrophobicContact CB-CD1 4.02Å; L510-L603 HydrophobicContact CB-CD2 4.44Å; V587-L603 HydrophobicContact CB-CD2 3.8Å; V587-L603 HydrophobicContact CB-CG 4.34Å; V587-L603 HydrophobicContact CG1-CD2 3.93Å; V587-L603 HydrophobicContact CG1-CG 4.23Å; V587-L603 HydrophobicContact CG2-CD2 4.37Å; V587-L603 HydrophobicContact CG2-CG 4.49Å; K591-L603 PolarHBondContact O-N 3.12Å; K591-L603 VanDerWaalsContact O-N 3.17Å; W592-L603 HydrophobicContact CE3-CD1 3.95Å; W592-L603 HydrophobicContact CZ3-CD1 4.36Å; L603-L607 PolarHBondContact O-N 3.25Å; L603-V615 HydrophobicContact CB-CG1 4.3Å; L603-V615 HydrophobicContact CB-CG2 4.26Å; L603-V615 HydrophobicContact CD1-CG1 4.2Å; L603-V615 HydrophobicContact CD2-CG1 4.03Å; L603-V615 HydrophobicContact CD2-CG2 4.23Å; L603-V615 HydrophobicContact CG-CG1 4.42Å; L603-T617 HydrophobicContact CD1-CG2 3.68Å; L603-L619 HydrophobicContact CD1-CD1 4.37Å
604	I	94.1	Very high	90	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-74.9	-33.5	179	-57.8	-64.3	0	0	0	110.9	W600 G602 V608 L619 R625 V628 V629	W600-I604 HydrophobicContact CB-CB 4.48Å; W600-I604 HydrophobicContact CB-CG2 4.15Å; W600-I604 HydrophobicContact CD2-CB 4.32Å; W600-I604 HydrophobicContact CD2-CG2 3.58Å; W600-I604 HydrophobicContact CE3-CB 3.99Å; W600-I604 HydrophobicContact CE3-CG1 4.42Å; W600-I604 HydrophobicContact CE3-CG2 3.65Å; W600-I604 HydrophobicContact CG-CG2 3.8Å; W600-I604 HydrophobicContact CZ3-CG2 4.27Å; G602-I604 PolarHBondContact O-N 3.07Å; G602-I604 VanDerWaalsContact O-N 3.08Å; I604-V608 HydrophobicContact CG2-CG2 4.24Å; I604-V608 WeakPolarHBondContact O-CB 3.08Å; I604-V608 VanDerWaalsContact O-CG2 3.25Å; I604-V608 WeakPolarHBondContact O-CG2 3.48Å; I604-V608 PolarHBondContact O-N 2.95Å; I604-L619 HydrophobicContact CD1-CD2 4.1Å; I604-R625 HydrophobicContact CD1-CB 4.24Å; I604-R625 HydrophobicContact CD1-CG 4.01Å; I604-R625 HydrophobicContact CG1-CG 4.17Å; I604-V628 HydrophobicContact CG2-CG2 3.98Å; I604-V629 HydrophobicContact CD1-CG2 4Å; I604-V629 HydrophobicContact CG2-CG1 4.5Å
605	A	92.8	Very high	90.4	Very high	10 Å²	10	56 Å²	56	8%	0.083	29%	0.285	C	S	.	.	H	α-helix	trans	-65.4	-42	175.2	0	0	0	0	0	111.9	W600 N601 G602 L607 V608 N609	W600-A605 HydrophobicContact CB-CB 4.25Å; W600-A605 WeakPolarHBondContact O-CB 3.06Å; N601-A605 PolarHBondContact O-N 3.34Å; G602-A605 WeakPolarHBondContact O-CA 3.38Å; G602-A605 VanDerWaalsContact O-CB 3.3Å; G602-A605 WeakPolarHBondContact O-CB 3.43Å; G602-A605 PolarHBondContact O-N 3.16Å; A605-L607 PolarHBondContact O-N 3.24Å; A605-V608 PolarHBondContact O-N 2.96Å; A605-N609 WeakPolarHBondContact O-CB 3.21Å; A605-N609 PolarHBondContact O-N 2.87Å; A605-N609 PolarHBondContact O-ND2 3.17Å
606	D	92.3	Very high	90.8	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.064	26%	0.261	C	S	.	.	H	α-helix	trans	-64.3	-39.5	-179.3	-66.9	-30.4	0	0	0	112	T508 G602 R610 K611	T508-D606 HydrophobicContact CG2-CB 4.4Å; G602-D606 PolarHBondContact O-N 2.82Å; D606-R610 PolarHBondContact O-N 3.2Å; D606-R610 VanDerWaalsContact O-N 3.15Å; D606-K611 HydrophobicContact CB-CB 4.12Å; D606-K611 HydrophobicContact CB-CD 4.19Å; D606-K611 PolarHBondContact O-N 3.08Å; D606-K611 WeakPolarHBondContact OD1-CD 3.48Å; D606-K611 IonicContact OD1-NZ 3.43Å; D606-K611 PolarHBondContact OD1-NZ 3.12Å
607	L	93.4	Very high	91.4	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-65.1	-46.3	171.7	-73.3	177.6	0	0	0	113.1	L603 A605 N609 R610 V615 V629 A870	L603-L607 PolarHBondContact O-N 3.25Å; A605-L607 PolarHBondContact O-N 3.24Å; L607-N609 VanDerWaalsContact C-N 3.32Å; L607-N609 PolarHBondContact O-N 3.04Å; L607-R610 PolarHBondContact O-N 2.8Å; L607-R610 VanDerWaalsContact O-N 3.13Å; L607-V615 HydrophobicContact CD1-CB 4.02Å; L607-V615 HydrophobicContact CD1-CG2 3.65Å; L607-V615 HydrophobicContact CD2-CG2 4.07Å; L607-V615 HydrophobicContact CG-CB 4.48Å; L607-V615 HydrophobicContact CG-CG2 3.65Å; L607-V629 HydrophobicContact CB-CG1 3.88Å; L607-V629 HydrophobicContact CD1-CB 4.4Å; L607-V629 HydrophobicContact CD1-CG1 3.9Å; L607-A870 HydrophobicContact CD1-CB 3.64Å
608	V	92.6	Very high	91.9	Very high	69 Å²	69	40.2 Å²	40.2	42%	0.418	20%	0.204	S	C	.	.	H	α-helix	trans	-66.4	-36.1	-179.3	168.7	0	0	0	0	111.4	I604 A605 R610 V628 V629	I604-V608 HydrophobicContact CG2-CG2 4.24Å; I604-V608 WeakPolarHBondContact O-CB 3.08Å; I604-V608 VanDerWaalsContact O-CG2 3.25Å; I604-V608 WeakPolarHBondContact O-CG2 3.48Å; I604-V608 PolarHBondContact O-N 2.95Å; A605-V608 PolarHBondContact O-N 2.96Å; V608-R610 VanDerWaalsContact C-N 3.26Å; V608-R610 PolarHBondContact O-N 2.97Å; V608-V628 HydrophobicContact CG2-CB 4.26Å; V608-V628 HydrophobicContact CG2-CG2 4.3Å; V608-V629 HydrophobicContact CG2-CG1 4.25Å
609	N	90.8	Very high	92.3	Very high	110 Å²	110	37.2 Å²	37.2	59%	0.588	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-3.7	175.1	-66	-36.5	0	0	0	113.4	A605 L607 K611	A605-N609 WeakPolarHBondContact O-CB 3.21Å; A605-N609 PolarHBondContact O-N 2.87Å; A605-N609 PolarHBondContact O-ND2 3.17Å; L607-N609 VanDerWaalsContact C-N 3.32Å; L607-N609 PolarHBondContact O-N 3.04Å; N609-K611 PolarHBondContact O-N 3.43Å
610	R	88.9	Confident	92.5	Very high	203 Å²	203	29.7 Å²	29.7	77%	0.766	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	34	-173.9	-57	-178.8	174.3	-172.2	-4.2	114.1	D606 L607 V608	D606-R610 PolarHBondContact O-N 3.2Å; D606-R610 VanDerWaalsContact O-N 3.15Å; L607-R610 PolarHBondContact O-N 2.8Å; L607-R610 VanDerWaalsContact O-N 3.13Å; V608-R610 VanDerWaalsContact C-N 3.26Å; V608-R610 PolarHBondContact O-N 2.97Å
611	K	88.3	Confident	92.6	Very high	75 Å²	75	28.8 Å²	28.8	33%	0.326	14%	0.139	S	C	.	.	S	Bend	trans	-70.3	-24.4	166.8	-86.1	173.2	162.8	-170.9	0	112.2	K506 E588 D606 N609	K506-K611 WeakPolarHBondContact CD-O 3.24Å; K506-K611 PolarHBondContact NZ-O 3.2Å; E588-K611 IonicContact OE2-NZ 2.64Å; E588-K611 PolarHBondContact OE2-NZ 3.02Å; D606-K611 HydrophobicContact CB-CB 4.12Å; D606-K611 HydrophobicContact CB-CD 4.19Å; D606-K611 PolarHBondContact O-N 3.08Å; D606-K611 WeakPolarHBondContact OD1-CD 3.48Å; D606-K611 IonicContact OD1-NZ 3.43Å; D606-K611 PolarHBondContact OD1-NZ 3.12Å; N609-K611 PolarHBondContact O-N 3.43Å
612	T	91.2	Very high	92.6	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.037	14%	0.143	C	C	.	.			trans	-144.1	154.9	-178.2	51.1	0	0	0	0	111.4	K506 T508	K506-T612 HydrophobicContact CB-CG2 4.48Å; K506-T612 HydrophobicContact CD-CG2 4.21Å; K506-T612 HydrophobicContact CG-CG2 3.92Å; K506-T612 WeakPolarHBondContact O-CB 3.44Å; T508-T612 HydrophobicContact CG2-CG2 3.62Å; T508-T612 VanDerWaalsContact OG1-CB 3.23Å; T508-T612 WeakPolarHBondContact OG1-CB 3.17Å; T508-T612 VanDerWaalsContact OG1-CG2 3.27Å; T508-T612 WeakPolarHBondContact OG1-CG2 3.48Å; T508-T612 PolarHBondContact OG1-OG1 3.37Å
613	D	91.8	Very high	92.4	Very high	60 Å²	60	34 Å²	34	32%	0.321	17%	0.17	S	C	.	.	S	Bend	trans	-86.2	-31.4	-177.9	-56.6	-69.4	0	0	0	112.3	L505 K506 S872	L505-D613 HydrophobicContact CD2-CB 3.99Å; K506-D613 PolarHBondContact N-OD2 2.9Å; K506-D613 PolarHBondContact O-N 2.81Å; D613-S872 PolarHBondContact O-N 3.32Å
614	M	94.5	Very high	92.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	147.7	-166.7	-178.1	-178.7	-180	0	0	110.5	L505 I507 T508 L869 A870 F871 F881	L505-M614 HydrophobicContact CD1-SD 4.33Å; I507-M614 WeakPolarHBondContact CA-O 3.43Å; I507-M614 HydrophobicContact CD1-SD 4.04Å; I507-M614 HydrophobicContact CG1-CB 4.33Å; I507-M614 HydrophobicContact CG1-SD 4.39Å; T508-M614 PolarHBondContact N-O 2.96Å; T508-M614 PolarHBondContact OG1-O 3.2Å; M614-L869 HydrophobicContact CE-CB 4.06Å; M614-L869 HydrophobicContact CE-CD1 3.93Å; M614-L869 HydrophobicContact CE-CD2 3.9Å; M614-L869 HydrophobicContact CE-CG 4.18Å; M614-A870 CarbonylContact C-O 3.08Å; M614-A870 WeakPolarHBondContact CA-O 3.41Å; M614-F871 HydrophobicContact CB-CD1 3.98Å; M614-F871 HydrophobicContact CB-CE1 4.03Å; M614-F871 HydrophobicContact CE-CE1 4.16Å; M614-F871 HydrophobicContact CE-CZ 3.95Å; M614-F871 HydrophobicContact CG-CD1 3.93Å; M614-F871 HydrophobicContact CG-CE1 3.61Å; M614-F871 HydrophobicContact CG-CZ 4.2Å; M614-F871 HydrophobicContact SD-CE1 3.65Å; M614-F871 HydrophobicContact SD-CZ 4.07Å; M614-F881 HydrophobicContact CE-CD1 4.14Å; M614-F881 HydrophobicContact CE-CE1 3.81Å; M614-F881 HydrophobicContact CE-CZ 4.33Å; M614-F881 HydrophobicContact SD-CE1 4.19Å; M614-F881 HydrophobicContact SD-CZ 4.1Å
615	V	95.9	Very high	92.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.9	166.5	165.6	0	0	0	0	109.3	T508 L603 L607 T617 L619 A870	T508-V615 VanDerWaalsContact O-CA 3.31Å; T508-V615 WeakPolarHBondContact O-CA 3.22Å; T508-V615 VanDerWaalsContact OG1-CG2 3.25Å; T508-V615 WeakPolarHBondContact OG1-CG2 3.31Å; L603-V615 HydrophobicContact CB-CG1 4.3Å; L603-V615 HydrophobicContact CB-CG2 4.26Å; L603-V615 HydrophobicContact CD1-CG1 4.2Å; L603-V615 HydrophobicContact CD2-CG1 4.03Å; L603-V615 HydrophobicContact CD2-CG2 4.23Å; L603-V615 HydrophobicContact CG-CG1 4.42Å; L607-V615 HydrophobicContact CD1-CB 4.02Å; L607-V615 HydrophobicContact CD1-CG2 3.65Å; L607-V615 HydrophobicContact CD2-CG2 4.07Å; L607-V615 HydrophobicContact CG-CB 4.48Å; L607-V615 HydrophobicContact CG-CG2 3.65Å; V615-T617 HydrophobicContact CG1-CG2 4.09Å; V615-L619 HydrophobicContact CG1-CD2 3.92Å; V615-A870 HydrophobicContact CB-CB 4.32Å; V615-A870 PolarHBondContact N-O 3.48Å; V615-A870 PolarHBondContact O-N 3.28Å
616	L	94.8	Very high	92.1	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.207	C	C	.	.			trans	-132.8	107.6	176.5	173.5	63.5	0	0	0	110	I507 T508 F509 I516 C567 L571 L869	I507-L616 HydrophobicContact CG2-CB 3.84Å; T508-L616 PolarHBondContact O-N 2.95Å; T508-L616 VanDerWaalsContact O-N 3.08Å; F509-L616 VanDerWaalsContact CB-O 3.31Å; F509-L616 WeakPolarHBondContact CB-O 3.32Å; I516-L616 WeakPolarHBondContact CD1-O 3.27Å; C567-L616 HydrophobicContact CB-CD1 4.01Å; C567-L616 HydrophobicContact CB-CD2 4.39Å; C567-L616 HydrophobicContact CB-CG 4Å; C567-L616 WeakPolarHBondContact O-CD2 3.39Å; L571-L616 HydrophobicContact CB-CD2 3.62Å; L571-L616 HydrophobicContact CD1-CD2 4.09Å; L571-L616 HydrophobicContact CD2-CD2 4.05Å; L571-L616 HydrophobicContact CG-CD2 4.12Å; L616-L869 HydrophobicContact CD1-CD2 3.45Å; L616-L869 VanDerWaalsContact CD1-CD2 3.45Å
617	T	94	Very high	92.1	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	23%	0.229	C	C	.	.	S	Bend	trans	-170.1	-169.8	172	-177.6	0	0	0	0	107.3	L510 W592 L603 V615 L619	L510-T617 PolarHBondContact O-OG1 3.04Å; W592-T617 HydrophobicContact CZ3-CG2 3.82Å; L603-T617 HydrophobicContact CD1-CG2 3.68Å; V615-T617 HydrophobicContact CG1-CG2 4.09Å; T617-L619 HydrophobicContact CG2-CB 4.29Å; T617-L619 PolarHBondContact O-N 2.95Å
618	S	93.6	Very high	92	Very high	4 Å²	4	47 Å²	47	3%	0.028	24%	0.242	C	C	.	.	S	Bend	trans	-69	47.4	172	29.3	0	0	0	0	113.1	E512 W592 M620 Y867	E512-S618 VanDerWaalsContact OE2-CB 3.26Å; E512-S618 WeakPolarHBondContact OE2-CB 3.4Å; E512-S618 PolarHBondContact OE2-OG 2.82Å; W592-S618 WeakPolarHBondContact CH2-OG 3.46Å; S618-M620 PolarHBondContact O-N 2.94Å; S618-M620 VanDerWaalsContact O-N 3.16Å; S618-Y867 VanDerWaalsContact CA-CD1 3.44Å; S618-Y867 VanDerWaalsContact CB-CE1 3.4Å; S618-Y867 WeakPolarHBondContact O-CD1 3.37Å; S618-Y867 WeakPolarHBondContact O-CE1 3.23Å
619	L	93.8	Very high	92.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.			trans	-79.6	100.7	179.9	-173.4	67.4	0	0	0	111	L603 I604 V615 T617 I621 F631 G868 A870	L603-L619 HydrophobicContact CD1-CD1 4.37Å; I604-L619 HydrophobicContact CD1-CD2 4.1Å; V615-L619 HydrophobicContact CG1-CD2 3.92Å; T617-L619 HydrophobicContact CG2-CB 4.29Å; T617-L619 PolarHBondContact O-N 2.95Å; L619-I621 PolarHBondContact O-N 3.49Å; L619-F631 HydrophobicContact CD2-CE1 3.88Å; L619-F631 HydrophobicContact CD2-CZ 4.24Å; L619-F631 HydrophobicContact CG-CE1 4.15Å; L619-F631 HydrophobicContact CG-CZ 4.49Å; L619-G868 PolarHBondContact O-N 2.91Å; L619-A870 HydrophobicContact CD2-CB 3.61Å
620	M	92.8	Very high	92.4	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.039	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-59	132.7	174.3	-67.2	-170.8	-172.7	0	0	112.3	S618 R625 T638 H797 D839 T865 Y867	S618-M620 PolarHBondContact O-N 2.94Å; S618-M620 VanDerWaalsContact O-N 3.16Å; M620-R625 PolarHBondContact O-NH1 2.96Å; M620-T638 HydrophobicContact CE-CG2 3.96Å; M620-T638 HydrophobicContact CG-CG2 4.3Å; M620-H797 HydrophobicContact CB-CB 4.45Å; M620-H797 HydrophobicContact SD-CB 3.77Å; M620-H797 PolarHBondContact SD-CD2 2.65Å; M620-H797 VanDerWaalsContact SD-CG 3.54Å; M620-D839 HydrophobicContact CE-CB 3.78Å; M620-D839 WeakPolarHBondContact CE-OD1 3.45Å; M620-D839 WeakPolarHBondContact CE-OD2 3.23Å; M620-T865 HydrophobicContact CB-CG2 4.23Å; M620-T865 HydrophobicContact CG-CG2 4.21Å; M620-T865 HydrophobicContact SD-CG2 4.04Å; M620-Y867 HydrophobicContact CG-CD1 4.16Å; M620-Y867 HydrophobicContact CG-CE1 3.99Å
621	I	93.3	Very high	92.7	Very high	32 Å²	32	31.2 Å²	31.2	16%	0.164	17%	0.17	C	C	.	.			trans	-67.7	130.9	171	-57.6	169.7	0	0	0	109.1	L619 F631 P634 T865 G866	L619-I621 PolarHBondContact O-N 3.49Å; I621-F631 HydrophobicContact CD1-CB 4.44Å; I621-F631 HydrophobicContact CG1-CB 4.27Å; I621-F631 HydrophobicContact CG1-CD1 3.75Å; I621-F631 HydrophobicContact CG1-CE1 4.14Å; I621-F631 HydrophobicContact CG1-CG 3.95Å; I621-F631 HydrophobicContact CG2-CD2 4.11Å; I621-F631 HydrophobicContact CG2-CE2 4.47Å; I621-F631 HydrophobicContact CG2-CG 4.26Å; I621-P634 HydrophobicContact CD1-CB 4.02Å; I621-T865 PolarHBondContact O-OG1 3.39Å; I621-G866 WeakPolarHBondContact CG1-O 3.4Å; I621-G866 PolarHBondContact N-O 2.88Å
622	N	89.8	Confident	93.1	Very high	27 Å²	27	28 Å²	28	14%	0.144	16%	0.157	C	C	.	.			trans	-147.3	138	176.6	175.4	18.5	0	0	0	109.7	E624 R625 E626	N622-E624 PolarHBondContact O-N 2.88Å; N622-E624 VanDerWaalsContact O-N 3.07Å; N622-R625 WeakPolarHBondContact O-CA 3.45Å; N622-R625 WeakPolarHBondContact O-CB 3.42Å; N622-R625 PolarHBondContact O-N 3.42Å; N622-E626 PolarHBondContact O-N 3.29Å
623	T	89.1	Confident	93.2	Very high	93 Å²	93	32 Å²	32	57%	0.571	18%	0.175	S	C	*	.	H	α-helix	trans	-38.7	-43.8	173	55.8	0	0	0	0	115.1	R625 A627	T623-R625 VanDerWaalsContact C-N 3.35Å; T623-R625 PolarHBondContact O-N 3Å; T623-A627 PolarHBondContact O-N 3.39Å; T623-A627 VanDerWaalsContact O-N 3.15Å
624	E	89	Confident	93.4	Very high	75 Å²	75	30.8 Å²	30.8	35%	0.35	17%	0.171	S	C	.	.	H	α-helix	trans	-70.8	-29.4	-178.9	-68.2	168.7	179	0	0	113	W600 N622 K804	W600-E624 HydrophobicContact CH2-CB 4.22Å; W600-E624 WeakPolarHBondContact CH2-O 3.31Å; W600-E624 VanDerWaalsContact CZ2-O 3.23Å; W600-E624 WeakPolarHBondContact CZ2-O 3.4Å; N622-E624 PolarHBondContact O-N 2.88Å; N622-E624 VanDerWaalsContact O-N 3.07Å; E624-K804 IonicContact OE1-NZ 3.29Å; E624-K804 PolarHBondContact OE1-NZ 2.68Å
625	R	91.9	Very high	93.4	Very high	9 Å²	9	31 Å²	31	3%	0.034	17%	0.172	C	C	.	.	H	α-helix	trans	-81.7	-43.4	174.7	-65.8	174.9	171.9	162.3	-6.6	110.7	W592 G593 W600 I604 M620 N622 T623 A627 V628 V629 F631	W592-R625 PolarHBondContact O-NH2 3.43Å; W592-R625 VanDerWaalsContact O-NH2 3.14Å; G593-R625 PolarHBondContact O-NE 3.12Å; G593-R625 PolarHBondContact O-NH2 3.09Å; W600-R625 HydrophobicContact CH2-CG 4.19Å; W600-R625 HydrophobicContact CZ3-CG 4.2Å; I604-R625 HydrophobicContact CD1-CB 4.24Å; I604-R625 HydrophobicContact CD1-CG 4.01Å; I604-R625 HydrophobicContact CG1-CG 4.17Å; M620-R625 PolarHBondContact O-NH1 2.96Å; N622-R625 WeakPolarHBondContact O-CA 3.45Å; N622-R625 WeakPolarHBondContact O-CB 3.42Å; N622-R625 PolarHBondContact O-N 3.42Å; T623-R625 VanDerWaalsContact C-N 3.35Å; T623-R625 PolarHBondContact O-N 3Å; R625-A627 PolarHBondContact O-N 3.34Å; R625-A627 VanDerWaalsContact O-N 3.15Å; R625-V628 WeakPolarHBondContact O-CG2 3.3Å; R625-V628 PolarHBondContact O-N 3.4Å; R625-V629 HydrophobicContact CB-CG2 4.37Å; R625-V629 VanDerWaalsContact O-CG2 3.27Å; R625-V629 WeakPolarHBondContact O-CG2 3.24Å; R625-V629 PolarHBondContact O-N 2.75Å; R625-F631 HydrophobicContact CB-CE2 3.65Å; R625-F631 HydrophobicContact CB-CZ 3.85Å
626	E	92.1	Very high	93.3	Very high	101 Å²	101	31.9 Å²	31.9	47%	0.472	18%	0.176	S	C	.	.	H	α-helix	trans	-61.2	-21.5	178.2	-169.4	-177.1	-177.3	0	0	113.3	N622 V628 V629 F631 R873	N622-E626 PolarHBondContact O-N 3.29Å; E626-V628 VanDerWaalsContact C-N 3.29Å; E626-V628 PolarHBondContact O-N 3.47Å; E626-V629 WeakPolarHBondContact CA-O 3.21Å; E626-F631 HydrophobicContact CB-CD2 4.15Å; E626-F631 HydrophobicContact CB-CE2 4.37Å; E626-F631 HydrophobicContact CG-CD2 4.48Å; E626-R873 PolarHBondContact O-NH1 3.01Å; E626-R873 PolarHBondContact O-NH2 2.85Å
627	A	91.9	Very high	93.2	Very high	65 Å²	65	37.6 Å²	37.6	54%	0.537	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.9	169.8	0	0	0	0	0	113.8	T623 R625 R873	T623-A627 PolarHBondContact O-N 3.39Å; T623-A627 VanDerWaalsContact O-N 3.15Å; R625-A627 PolarHBondContact O-N 3.34Å; R625-A627 VanDerWaalsContact O-N 3.15Å; A627-R873 VanDerWaalsContact C-NH2 3.26Å; A627-R873 PolarHBondContact O-NH2 3.23Å
628	V	93	Very high	93.2	Very high	47 Å²	47	37.5 Å²	37.5	29%	0.285	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122	-22.4	-172.7	-63.4	0	0	0	0	115.4	W600 I604 V608 R625 E626	W600-V628 HydrophobicContact CZ2-CG2 3.86Å; I604-V628 HydrophobicContact CG2-CG2 3.98Å; V608-V628 HydrophobicContact CG2-CB 4.26Å; V608-V628 HydrophobicContact CG2-CG2 4.3Å; R625-V628 WeakPolarHBondContact O-CG2 3.3Å; R625-V628 PolarHBondContact O-N 3.4Å; E626-V628 VanDerWaalsContact C-N 3.29Å; E626-V628 PolarHBondContact O-N 3.47Å
629	V	94.8	Very high	93.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	20%	0.201	C	C	.	.	S	Bend	trans	-128.3	157.2	175	-67.5	0	0	0	0	110.6	I604 L607 V608 R625 E626 F631 A870 F871 R873	I604-V629 HydrophobicContact CD1-CG2 4Å; I604-V629 HydrophobicContact CG2-CG1 4.5Å; L607-V629 HydrophobicContact CB-CG1 3.88Å; L607-V629 HydrophobicContact CD1-CB 4.4Å; L607-V629 HydrophobicContact CD1-CG1 3.9Å; V608-V629 HydrophobicContact CG2-CG1 4.25Å; R625-V629 HydrophobicContact CB-CG2 4.37Å; R625-V629 VanDerWaalsContact O-CG2 3.27Å; R625-V629 WeakPolarHBondContact O-CG2 3.24Å; R625-V629 PolarHBondContact O-N 2.75Å; E626-V629 WeakPolarHBondContact CA-O 3.21Å; V629-F631 HydrophobicContact CG2-CD2 4.47Å; V629-F631 HydrophobicContact CG2-CE2 3.92Å; V629-F631 HydrophobicContact CG2-CZ 4.22Å; V629-A870 HydrophobicContact CG2-CB 4.41Å; V629-F871 WeakPolarHBondContact CB-O 3.28Å; V629-R873 PolarHBondContact O-NH1 2.95Å
630	D	95.4	Very high	93.3	Very high	28 Å²	28	37.5 Å²	37.5	15%	0.15	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	126.9	176.6	-65.8	-25.8	0	0	0	110.1	F871 R873 N874 V878	D630-F871 PolarHBondContact N-O 3Å; D630-F871 VanDerWaalsContact N-O 3.08Å; D630-F871 PolarHBondContact O-N 3.4Å; D630-R873 WeakPolarHBondContact OD1-CD 3.33Å; D630-R873 IonicContact OD1-CZ 3.69Å; D630-R873 IonicContact OD1-NE 2.7Å; D630-R873 IonicContact OD1-NH1 3.91Å; D630-R873 PolarHBondContact OD1-NH1 3.34Å; D630-N874 WeakPolarHBondContact OD2-CA 3.41Å; D630-N874 PolarHBondContact OD2-N 3.01Å; D630-V878 HydrophobicContact CB-CG2 3.92Å
631	F	96.3	Very high	93.4	Very high	23 Å²	23	37.3 Å²	37.3	10%	0.101	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	152.1	175.5	-77.1	-80.2	0	0	0	112.2	L619 I621 R625 E626 V629 L869 A870	L619-F631 HydrophobicContact CD2-CE1 3.88Å; L619-F631 HydrophobicContact CD2-CZ 4.24Å; L619-F631 HydrophobicContact CG-CE1 4.15Å; L619-F631 HydrophobicContact CG-CZ 4.49Å; I621-F631 HydrophobicContact CD1-CB 4.44Å; I621-F631 HydrophobicContact CG1-CB 4.27Å; I621-F631 HydrophobicContact CG1-CD1 3.75Å; I621-F631 HydrophobicContact CG1-CE1 4.14Å; I621-F631 HydrophobicContact CG1-CG 3.95Å; I621-F631 HydrophobicContact CG2-CD2 4.11Å; I621-F631 HydrophobicContact CG2-CE2 4.47Å; I621-F631 HydrophobicContact CG2-CG 4.26Å; R625-F631 HydrophobicContact CB-CE2 3.65Å; R625-F631 HydrophobicContact CB-CZ 3.85Å; E626-F631 HydrophobicContact CB-CD2 4.15Å; E626-F631 HydrophobicContact CB-CE2 4.37Å; E626-F631 HydrophobicContact CG-CD2 4.48Å; V629-F631 HydrophobicContact CG2-CD2 4.47Å; V629-F631 HydrophobicContact CG2-CE2 3.92Å; V629-F631 HydrophobicContact CG2-CZ 4.22Å; F631-L869 CarbonylContact C-O 3.55Å; F631-L869 WeakPolarHBondContact CA-O 3.38Å; F631-A870 HydrophobicContact CD1-CB 3.99Å; F631-A870 HydrophobicContact CE1-CB 3.79Å; F631-A870 HydrophobicContact CZ-CB 4.38Å
632	S	95.7	Very high	93.4	Very high	7 Å²	7	36 Å²	36	5%	0.049	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-72.2	170.1	162.1	71.7	0	0	0	0	112	L869 N882	S632-L869 PolarHBondContact N-O 2.95Å; S632-L869 WeakPolarHBondContact OG-CB 3.46Å; S632-L869 WeakPolarHBondContact OG-CG 3.49Å; S632-L869 PolarHBondContact OG-N 2.87Å; S632-N882 WeakPolarHBondContact CA-OD1 3.2Å; S632-N882 WeakPolarHBondContact CB-OD1 3.44Å
633	E	94.6	Very high	93.6	Very high	90 Å²	90	34.7 Å²	34.7	42%	0.421	19%	0.188	S	C	.	.	S	Bend	trans	-49.6	143.6	154.3	-68.7	-64	155.9	0	0	110.2	F635 N882 L885 L886	E633-F635 PolarHBondContact O-N 3.43Å; E633-N882 HydrophobicContact CG-CB 4.42Å; E633-N882 PolarHBondContact N-OD1 2.88Å; E633-L885 HydrophobicContact CB-CD2 4.31Å; E633-L885 WeakPolarHBondContact O-CD2 3.42Å; E633-L886 HydrophobicContact CG-CD2 4.49Å
634	P	95.6	Very high	93.8	Very high	35 Å²	35	30.3 Å²	30.3	23%	0.227	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-69.4	125.3	-178.4	25.2	-32.4	0	0	0	111.1	I621 Y867 R889	I621-P634 HydrophobicContact CD1-CB 4.02Å; P634-Y867 CarbonylContact C-O 3.51Å; P634-Y867 VanDerWaalsContact CA-O 3.24Å; P634-Y867 WeakPolarHBondContact CA-O 3.12Å; P634-R889 VanDerWaalsContact O-CZ 3.3Å; P634-R889 PolarHBondContact O-NH1 2.85Å; P634-R889 PolarHBondContact O-NH2 2.84Å
635	F	94.9	Very high	93.9	Very high	5 Å²	5	27.1 Å²	27.1	2%	0.022	15%	0.148	C	C	.	.	S	Bend	trans	-77.1	-25.8	179.4	65.1	-104.1	0	0	0	112.7	Y515 F566 L570 E633 Y867 L869 L885	Y515-F635 HydrophobicContact CE1-CE2 4.43Å; F566-F635 HydrophobicContact CD1-CE2 4.11Å; F566-F635 AromaticContact CE1-CD2 3.62Å; F566-F635 HydrophobicContact CE1-CD2 3.62Å; F566-F635 AromaticContact CE1-CE2 3.59Å; F566-F635 HydrophobicContact CE1-CE2 3.59Å; F566-F635 HydrophobicContact CZ-CD2 4.27Å; L570-F635 HydrophobicContact CD2-CB 4.42Å; L570-F635 HydrophobicContact CD2-CD2 4.38Å; L570-F635 HydrophobicContact CD2-CG 4.27Å; E633-F635 PolarHBondContact O-N 3.43Å; F635-Y867 WeakPolarHBondContact CD1-O 3.24Å; F635-Y867 VanDerWaalsContact CE1-CB 3.49Å; F635-Y867 HydrophobicContact CE2-CD2 4.17Å; F635-Y867 HydrophobicContact CE2-CG 4.46Å; F635-Y867 HydrophobicContact CZ-CD2 4.27Å; F635-Y867 HydrophobicContact CZ-CG 4.13Å; F635-Y867 PolarHBondContact N-O 3.41Å; F635-L869 HydrophobicContact CD1-CD2 4.27Å; F635-L869 HydrophobicContact CE1-CD2 4.43Å; F635-L885 HydrophobicContact CB-CD1 3.61Å; F635-L885 HydrophobicContact CB-CD2 3.91Å; F635-L885 HydrophobicContact CB-CG 4.34Å
636	M	93.8	Very high	93.6	Very high	17 Å²	17	29.3 Å²	29.3	8%	0.084	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	143.3	176.5	179.2	177	-56.6	0	0	109.6	Y515 F566 T841 G866 Y867 R898 M902	Y515-M636 HydrophobicContact CE1-CE 4.41Å; Y515-M636 HydrophobicContact CE1-SD 4.02Å; Y515-M636 PolarHBondContact OH-SD 2.64Å; F566-M636 HydrophobicContact CD2-CE 4.11Å; F566-M636 HydrophobicContact CE1-CE 4.04Å; F566-M636 HydrophobicContact CE2-CE 3.55Å; F566-M636 HydrophobicContact CZ-CE 3.52Å; M636-T841 HydrophobicContact SD-CG2 4.24Å; M636-G866 CarbonylContact O-C 3.58Å; M636-G866 WeakPolarHBondContact O-CA 3.29Å; M636-Y867 HydrophobicContact CB-CD2 4.15Å; M636-Y867 HydrophobicContact CG-CD2 4.47Å; M636-Y867 PolarHBondContact O-N 2.8Å; M636-R898 HydrophobicContact CE-CB 4.22Å; M636-R898 HydrophobicContact CE-CG 3.84Å; M636-M902 HydrophobicContact CE-CE 3.72Å; M636-M902 HydrophobicContact CE-SD 3.96Å; M636-M902 HydrophobicContact SD-CE 3.72Å; M636-M902 HydrophobicContact SD-SD 3.98Å
637	E	92.9	Very high	92.8	Very high	121 Å²	121	29.2 Å²	29.2	57%	0.565	15%	0.153	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	139.4	178.5	-69.3	153.4	-137.3	0	0	110.1	T865 R889	E637-T865 WeakPolarHBondContact CA-O 3.5Å; E637-R889 IonicContact OE1-NH2 3.26Å
638	T	94.1	Very high	91.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	179.8	175.4	-165.8	0	0	0	0	110.8	M620 D839 T841 M864 T865 Y867	M620-T638 HydrophobicContact CE-CG2 3.96Å; M620-T638 HydrophobicContact CG-CG2 4.3Å; T638-D839 WeakPolarHBondContact CG2-OD1 3.44Å; T638-D839 PolarHBondContact OG1-OD1 2.94Å; T638-T841 PolarHBondContact OG1-N 2.9Å; T638-T841 PolarHBondContact OG1-OG1 2.9Å; T638-M864 CarbonylContact O-C 3.59Å; T638-M864 WeakPolarHBondContact O-CA 3.43Å; T638-T865 HydrophobicContact CG2-CG2 4.4Å; T638-T865 PolarHBondContact N-O 3.39Å; T638-T865 PolarHBondContact O-N 3.36Å; T638-Y867 HydrophobicContact CG2-CD1 4.36Å; T638-Y867 HydrophobicContact CG2-CD2 4.47Å; T638-Y867 HydrophobicContact CG2-CE1 3.87Å; T638-Y867 HydrophobicContact CG2-CE2 3.95Å
639	G	93.8	Very high	90.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	-175.6	171.3	0	0	0	0	0	111	G840	G639-G840 WeakPolarHBondContact O-CA 3.46Å; G639-G840 PolarHBondContact O-N 3.28Å
640	I	94.4	Very high	88.4	Confident	4 Å²	4	37 Å²	37	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	122.9	174.5	-49.2	-171.3	0	0	0	109.1	T798 T801 I837 W861 Y862	I640-T798 HydrophobicContact CD1-CG2 4.04Å; I640-T798 HydrophobicContact CG1-CG2 3.97Å; I640-T798 HydrophobicContact CG2-CG2 4.05Å; I640-T801 HydrophobicContact CD1-CG2 3.8Å; I640-I837 HydrophobicContact CG2-CG2 3.68Å; I640-W861 WeakPolarHBondContact O-CA 3.4Å; I640-Y862 HydrophobicContact CD1-CD1 4.42Å; I640-Y862 PolarHBondContact N-O 2.92Å; I640-Y862 PolarHBondContact O-N 3.17Å
641	A	94.4	Very high	86.8	Confident	4 Å²	4	38 Å²	38	3%	0.033	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	170.2	176.7	0	0	0	0	0	112.1	Y838 L843 T857	A641-Y838 PolarHBondContact N-O 3.44Å; A641-Y838 PolarHBondContact O-N 2.87Å; A641-Y838 VanDerWaalsContact O-N 3.17Å; A641-L843 HydrophobicContact CB-CD1 4.36Å; A641-T857 HydrophobicContact CB-CG2 4.43Å
642	I	95	Very high	85.4	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.015	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.3	179.8	-53.7	174.2	0	0	0	107.3	V644 F770 L778 I837 T857 V858	I642-V644 HydrophobicContact CG2-CG1 4.48Å; I642-F770 HydrophobicContact CD1-CB 4.36Å; I642-F770 HydrophobicContact CG2-CD2 4.25Å; I642-L778 HydrophobicContact CD1-CD1 3.57Å; I642-I837 HydrophobicContact CG1-CG1 4.27Å; I642-I837 HydrophobicContact CG2-CG1 4.43Å; I642-T857 CarbonylContact O-C 3.59Å; I642-T857 VanDerWaalsContact O-CA 3.3Å; I642-T857 WeakPolarHBondContact O-CA 3.43Å; I642-V858 HydrophobicContact CB-CG2 4.15Å; I642-V858 HydrophobicContact CG2-CG2 4.09Å; I642-V858 PolarHBondContact O-N 3Å
643	V	93.9	Very high	84.2	Confident	1 Å²	1	43 Å²	43	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	139.2	170.9	70.1	0	0	0	0	110.5	S835 F836 L843 V847 L855 M856 T857	V643-S835 VanDerWaalsContact O-CA 3.27Å; V643-S835 WeakPolarHBondContact O-CA 3.29Å; V643-S835 WeakPolarHBondContact O-CB 3.45Å; V643-F836 HydrophobicContact CG1-CB 3.86Å; V643-F836 HydrophobicContact CG1-CD1 4.18Å; V643-F836 PolarHBondContact N-O 3.43Å; V643-F836 PolarHBondContact O-N 3.23Å; V643-L843 HydrophobicContact CB-CD1 4.21Å; V643-L843 HydrophobicContact CB-CD2 4.21Å; V643-L843 HydrophobicContact CG1-CD1 4.27Å; V643-L843 HydrophobicContact CG1-CD2 3.8Å; V643-V847 HydrophobicContact CG2-CG2 3.78Å; V643-L855 HydrophobicContact CG2-CB 4.23Å; V643-L855 HydrophobicContact CG2-CD2 4.05Å; V643-M856 WeakPolarHBondContact CA-O 3.21Å; V643-M856 WeakPolarHBondContact CG2-O 3.29Å; V643-T857 HydrophobicContact CB-CG2 4.44Å
644	V	93.4	Very high	83.3	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	154.3	174.9	-64.9	0	0	0	0	110.3	I642 F767 H768 F770 M856 V858	I642-V644 HydrophobicContact CG2-CG1 4.48Å; V644-F767 HydrophobicContact CG2-CB 4.5Å; V644-H768 HydrophobicContact CG1-CB 4.27Å; V644-F770 HydrophobicContact CG1-CD2 4.15Å; V644-F770 HydrophobicContact CG1-CE2 4.02Å; V644-M856 HydrophobicContact CG2-CG 3.74Å; V644-M856 PolarHBondContact N-O 3.4Å; V644-M856 PolarHBondContact O-N 2.95Å; V644-V858 HydrophobicContact CG1-CG2 3.82Å; V644-V858 HydrophobicContact CG2-CB 4.47Å; V644-V858 HydrophobicContact CG2-CG1 3.67Å; V644-V858 HydrophobicContact CG2-CG2 3.93Å
645	A	90.6	Very high	82.3	Confident	9 Å²	9	41 Å²	41	7%	0.074	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	132.9	166.9	0	0	0	0	0	110.3	V828 R854	A645-V828 HydrophobicContact CB-CG1 3.84Å; A645-R854 CarbonylContact C-O 3.36Å; A645-R854 WeakPolarHBondContact CA-O 3.44Å
646	K	85.8	Confident	81.4	Confident	54 Å²	54	43.9 Å²	43.9	24%	0.235	24%	0.236	C	C	.	.			trans	-61.1	142.9	160.5	-62.8	178.6	171.4	-160.9	0	109.7	E765 R854 M856	K646-E765 VanDerWaalsContact CD-OE2 3.31Å; K646-E765 WeakPolarHBondContact CD-OE2 3.22Å; K646-E765 WeakPolarHBondContact CE-OE2 3.45Å; K646-E765 IonicContact NZ-OE1 3.16Å; K646-E765 IonicContact NZ-OE2 2.87Å; K646-E765 PolarHBondContact NZ-OE2 2.9Å; K646-R854 WeakPolarHBondContact CB-O 3.33Å; K646-R854 PolarHBondContact N-O 2.77Å; K646-M856 HydrophobicContact CD-SD 4.41Å; K646-M856 HydrophobicContact CG-CG 4.28Å; K646-M856 HydrophobicContact CG-SD 3.73Å
647	R	75.1	Confident	80.9	Confident	100 Å²	100	46.8 Å²	46.8	38%	0.377	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.9	177.3	-57.6	-179.6	-176	177.5	1.6	108.2	G649 E766 H768 D834	R647-G649 PolarHBondContact O-N 3.05Å; R647-E766 WeakPolarHBondContact CA-O 3.35Å; R647-E766 PolarHBondContact N-O 3.35Å; R647-E766 PolarHBondContact O-N 3.38Å; R647-E766 VanDerWaalsContact O-O 3.09Å; R647-H768 PolarHBondContact NH1-NE2 3.04Å; R647-D834 IonicContact CZ-OD1 3.02Å; R647-D834 IonicContact NH1-OD1 3.52Å; R647-D834 PolarHBondContact NH1-OD1 3.47Å; R647-D834 IonicContact NH2-OD1 3.32Å; R647-D834 PolarHBondContact NH2-OD1 2.99Å
648	T	66.8	Low	80.3	Confident	115 Å²	115	44.8 Å²	44.8	71%	0.706	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	126.1	170.4	38.5	0	0	0	0	108.6	I650	T648-I650 PolarHBondContact O-N 2.99Å
649	G	59.9	Low	79.9	Confident	12 Å²	12	45.5 Å²	45.5	12%	0.124	25%	0.247	C	C	.	.			trans	-64.4	126.2	-175.8	0	0	0	0	0	111.8	R647 I651 E766	R647-G649 PolarHBondContact O-N 3.05Å; G649-I651 PolarHBondContact O-N 2.85Å; G649-I651 VanDerWaalsContact O-N 3.09Å; G649-E766 WeakPolarHBondContact CA-OE2 3.41Å
650	I	59.4	Low	79.5	Confident	149 Å²	149	47.1 Å²	47.1	76%	0.764	25%	0.254	S	S	*	.			trans	-76.1	102.5	173.3	-58.6	178.3	0	0	0	107.1	T648 S652	T648-I650 PolarHBondContact O-N 2.99Å; I650-S652 PolarHBondContact O-N 3.17Å
651	I	62.9	Low	79.2	Confident	49 Å²	49	51.6 Å²	51.6	25%	0.251	28%	0.278	S	S	.	.			trans	-53.2	126.4	-179.2	-60.8	-177.9	0	0	0	109.4	G649 A655 L919 Q923	G649-I651 PolarHBondContact O-N 2.85Å; G649-I651 VanDerWaalsContact O-N 3.09Å; I651-A655 HydrophobicContact CG2-CB 3.31Å; I651-L919 HydrophobicContact CD1-CD2 3.94Å; I651-L919 HydrophobicContact CD1-CG 4.41Å; I651-Q923 HydrophobicContact CB-CB 4.26Å; I651-Q923 HydrophobicContact CB-CG 4.02Å; I651-Q923 HydrophobicContact CD1-CB 4.18Å; I651-Q923 HydrophobicContact CD1-CG 4.05Å; I651-Q923 HydrophobicContact CG1-CG 4.13Å
652	S	67.1	Low	78.9	Confident	38 Å²	38	56.3 Å²	56.3	27%	0.266	31%	0.307	S	S	.	.			trans	-59.3	144.2	-178.4	74.5	0	0	0	0	110.2	I650 T654 A655 E658	I650-S652 PolarHBondContact O-N 3.17Å; S652-T654 PolarHBondContact O-N 3.15Å; S652-T654 PolarHBondContact OG-OG1 3.24Å; S652-T654 VanDerWaalsContact OG-OG1 3.06Å; S652-A655 VanDerWaalsContact O-CB 3.28Å; S652-A655 WeakPolarHBondContact O-CB 3.11Å; S652-A655 PolarHBondContact O-N 3.32Å; S652-A655 WeakPolarHBondContact OG-CA 3.31Å; S652-A655 WeakPolarHBondContact OG-CB 3.38Å; S652-A655 PolarHBondContact OG-N 3.39Å; S652-E658 PolarHBondContact OG-OE1 2.67Å
653	P	69.2	Low	78.6	Confident	96 Å²	96	59 Å²	59	62%	0.623	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-20	172	-28.1	36.6	0	0	0	113.5	F656 S926	P653-F656 WeakPolarHBondContact O-CD1 3.5Å; P653-F656 VanDerWaalsContact O-CE1 3.29Å; P653-F656 WeakPolarHBondContact O-CE1 3.19Å; P653-S926 WeakPolarHBondContact O-CB 3.22Å; P653-S926 PolarHBondContact O-OG 3.2Å
654	T	76.3	Confident	78.4	Confident	78 Å²	78	61.4 Å²	61.4	48%	0.479	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-7.6	177.4	47.2	0	0	0	0	114.8	S652 F656 L657 E658	S652-T654 PolarHBondContact O-N 3.15Å; S652-T654 PolarHBondContact OG-OG1 3.24Å; S652-T654 VanDerWaalsContact OG-OG1 3.06Å; T654-F656 PolarHBondContact O-N 3.39Å; T654-L657 PolarHBondContact O-N 3.14Å; T654-E658 PolarHBondContact OG1-OE1 2.62Å; T654-E658 VanDerWaalsContact OG1-OE1 3.07Å
655	A	75.1	Confident	78.2	Confident	7 Å²	7	65.4 Å²	65.4	6%	0.058	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.3	-168.8	0	0	0	0	0	115.3	I651 S652 L657 P659 F760	I651-A655 HydrophobicContact CG2-CB 3.31Å; S652-A655 VanDerWaalsContact O-CB 3.28Å; S652-A655 WeakPolarHBondContact O-CB 3.11Å; S652-A655 PolarHBondContact O-N 3.32Å; S652-A655 WeakPolarHBondContact OG-CA 3.31Å; S652-A655 WeakPolarHBondContact OG-CB 3.38Å; S652-A655 PolarHBondContact OG-N 3.39Å; A655-L657 VanDerWaalsContact C-N 3.28Å; A655-L657 PolarHBondContact O-N 3.48Å; A655-P659 VanDerWaalsContact O-CD 3.3Å; A655-P659 WeakPolarHBondContact O-CD 3.23Å; A655-F760 HydrophobicContact CB-CE1 4.22Å
656	F	76.4	Confident	78	Confident	64 Å²	64	70.5 Å²	70.5	28%	0.281	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-16.4	173.8	72.3	-88	0	0	0	113.5	P653 T654 Y753 L930	P653-F656 WeakPolarHBondContact O-CD1 3.5Å; P653-F656 VanDerWaalsContact O-CE1 3.29Å; P653-F656 WeakPolarHBondContact O-CE1 3.19Å; T654-F656 PolarHBondContact O-N 3.39Å; F656-Y753 PolarHBondContact O-OH 2.81Å; F656-L930 HydrophobicContact CE2-CD1 4.08Å; F656-L930 HydrophobicContact CZ-CD1 3.94Å
657	L	81.5	Confident	78.2	Confident	78 Å²	78	72.9 Å²	72.9	41%	0.408	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-27.5	173.8	-63.3	177.2	0	0	0	112.5	T654 A655 P659 F660 W665	T654-L657 PolarHBondContact O-N 3.14Å; A655-L657 VanDerWaalsContact C-N 3.28Å; A655-L657 PolarHBondContact O-N 3.48Å; L657-P659 VanDerWaalsContact C-N 3.35Å; L657-F660 PolarHBondContact O-N 2.73Å; L657-W665 HydrophobicContact CD2-CZ2 4.17Å; L657-W665 PolarHBondContact O-NE1 2.75Å
658	E	80.6	Confident	78.8	Confident	80 Å²	80	69 Å²	69	37%	0.374	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.3	-177.6	-65.8	177.9	-141.8	0	0	116.3	S652 T654 F660 F760	S652-E658 PolarHBondContact OG-OE1 2.67Å; T654-E658 PolarHBondContact OG1-OE1 2.62Å; T654-E658 VanDerWaalsContact OG1-OE1 3.07Å; E658-F660 PolarHBondContact O-N 3.32Å; E658-F660 VanDerWaalsContact O-N 3.1Å; E658-F760 HydrophobicContact CB-CE2 4.39Å; E658-F760 HydrophobicContact CB-CZ 4.38Å; E658-F760 VanDerWaalsContact OE2-CZ 3.28Å; E658-F760 WeakPolarHBondContact OE2-CZ 3.48Å
659	P	85.7	Confident	79.5	Confident	14 Å²	14	64.8 Å²	64.8	9%	0.091	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-13.3	174.8	-27.8	36.9	0	0	0	115.9	A655 L657 Y753 N756 L757	A655-P659 VanDerWaalsContact O-CD 3.3Å; A655-P659 WeakPolarHBondContact O-CD 3.23Å; L657-P659 VanDerWaalsContact C-N 3.35Å; P659-Y753 HydrophobicContact CB-CD2 4.4Å; P659-Y753 HydrophobicContact CB-CE2 4.42Å; P659-Y753 HydrophobicContact CG-CE2 4.39Å; P659-N756 HydrophobicContact CB-CB 3.86Å; P659-N756 PolarHBondContact O-ND2 2.85Å; P659-L757 HydrophobicContact CG-CB 3.96Å; P659-L757 HydrophobicContact CG-CD1 3.84Å
660	F	86.4	Confident	80.6	Confident	34 Å²	34	68.9 Å²	68.9	15%	0.149	39%	0.385	C	S	.	.	S	Bend	trans	-138.9	135.1	171.7	-70.4	-50.4	0	0	0	110.7	L657 E658 W665 F749 I752 Y753	L657-F660 PolarHBondContact O-N 2.73Å; E658-F660 PolarHBondContact O-N 3.32Å; E658-F660 VanDerWaalsContact O-N 3.1Å; F660-W665 HydrophobicContact CB-CZ2 4.46Å; F660-W665 HydrophobicContact CD2-CH2 4.32Å; F660-W665 HydrophobicContact CD2-CZ2 4.03Å; F660-W665 VanDerWaalsContact O-CD1 3.24Å; F660-W665 PolarHBondContact O-NE1 3.11Å; F660-W665 VanDerWaalsContact O-NE1 3.14Å; F660-F749 HydrophobicContact CD2-CE2 4.09Å; F660-F749 HydrophobicContact CD2-CZ 4.3Å; F660-F749 HydrophobicContact CE2-CD2 4.12Å; F660-F749 AromaticContact CE2-CE2 3.32Å; F660-F749 HydrophobicContact CE2-CE2 3.32Å; F660-F749 AromaticContact CE2-CZ 3.7Å; F660-F749 HydrophobicContact CE2-CZ 3.7Å; F660-F749 HydrophobicContact CZ-CD2 4.15Å; F660-F749 AromaticContact CZ-CE2 3.74Å; F660-F749 HydrophobicContact CZ-CE2 3.74Å; F660-I752 HydrophobicContact CE1-CG2 3.91Å; F660-I752 HydrophobicContact CZ-CG2 3.89Å; F660-Y753 HydrophobicContact CD2-CD2 4.09Å; F660-Y753 AromaticContact CE2-CD2 3.91Å; F660-Y753 HydrophobicContact CE2-CD2 3.91Å; F660-Y753 HydrophobicContact CE2-CG 4.37Å
661	D	88.4	Confident	81.8	Confident	99 Å²	99	66 Å²	66	53%	0.529	37%	0.373	S	S	.	.			trans	-60.7	151.6	170.8	176.9	35.9	0	0	0	111.7	A663 S664 W665	D661-A663 PolarHBondContact O-N 2.98Å; D661-A663 VanDerWaalsContact O-N 3.13Å; D661-A663 WeakPolarHBondContact OD2-CB 3.28Å; D661-A663 PolarHBondContact OD2-N 2.94Å; D661-S664 WeakPolarHBondContact O-CA 3.48Å; D661-S664 WeakPolarHBondContact O-CB 3.27Å; D661-S664 PolarHBondContact O-N 3.23Å; D661-W665 PolarHBondContact O-N 2.86Å; D661-W665 VanDerWaalsContact O-N 3.12Å
662	T	87.5	Confident	83	Confident	103 Å²	103	64.8 Å²	64.8	63%	0.632	37%	0.371	S	S	*	.	H	α-helix	trans	-43.1	-40.3	171.4	59.2	0	0	0	0	113.5	W665 M666	T662-W665 PolarHBondContact O-N 2.93Å; T662-M666 VanDerWaalsContact O-CG 3.27Å; T662-M666 WeakPolarHBondContact O-CG 3.34Å; T662-M666 PolarHBondContact O-N 2.62Å; T662-M666 VanDerWaalsContact O-N 3.08Å
663	A	89.1	Confident	84.1	Confident	60 Å²	60	63 Å²	63	50%	0.496	36%	0.359	S	S	.	.	H	α-helix	trans	-63.2	-40.7	176.2	0	0	0	0	0	112.7	D661 M666 L667	D661-A663 PolarHBondContact O-N 2.98Å; D661-A663 VanDerWaalsContact O-N 3.13Å; D661-A663 WeakPolarHBondContact OD2-CB 3.28Å; D661-A663 PolarHBondContact OD2-N 2.94Å; A663-M666 PolarHBondContact O-N 2.9Å; A663-L667 WeakPolarHBondContact O-CB 3.48Å; A663-L667 PolarHBondContact O-N 3.21Å
664	S	89.4	Confident	85	Confident	51 Å²	51	61.5 Å²	61.5	36%	0.357	34%	0.343	S	S	.	.	H	α-helix	trans	-69.3	-41.1	178.1	-64	0	0	0	0	112.1	D661 M666 L667 V668	D661-S664 WeakPolarHBondContact O-CA 3.48Å; D661-S664 WeakPolarHBondContact O-CB 3.27Å; D661-S664 PolarHBondContact O-N 3.23Å; S664-M666 VanDerWaalsContact C-N 3.32Å; S664-M666 PolarHBondContact O-N 3.17Å; S664-L667 PolarHBondContact O-N 2.88Å; S664-V668 WeakPolarHBondContact O-CG2 3.23Å; S664-V668 PolarHBondContact O-N 3.01Å
665	W	88.8	Confident	85.6	Confident	83 Å²	83	60.3 Å²	60.3	31%	0.314	34%	0.341	S	S	.	.	H	α-helix	trans	-59.1	-42.8	172.8	-76.2	113.8	0	0	0	112	L657 F660 D661 T662 G669 F749 Y753	L657-W665 HydrophobicContact CD2-CZ2 4.17Å; L657-W665 PolarHBondContact O-NE1 2.75Å; F660-W665 HydrophobicContact CB-CZ2 4.46Å; F660-W665 HydrophobicContact CD2-CH2 4.32Å; F660-W665 HydrophobicContact CD2-CZ2 4.03Å; F660-W665 VanDerWaalsContact O-CD1 3.24Å; F660-W665 PolarHBondContact O-NE1 3.11Å; F660-W665 VanDerWaalsContact O-NE1 3.14Å; D661-W665 PolarHBondContact O-N 2.86Å; D661-W665 VanDerWaalsContact O-N 3.12Å; T662-W665 PolarHBondContact O-N 2.93Å; W665-G669 PolarHBondContact O-N 2.91Å; W665-F749 HydrophobicContact CZ3-CZ 4.33Å; W665-Y753 HydrophobicContact CH2-CD2 4.3Å; W665-Y753 HydrophobicContact CH2-CE2 4.09Å; W665-Y753 HydrophobicContact CZ2-CD2 4.43Å; W665-Y753 HydrophobicContact CZ2-CE2 4.09Å
666	M	87.1	Confident	86.2	Confident	116 Å²	116	60.3 Å²	60.3	57%	0.571	34%	0.341	S	S	*	.	H	α-helix	trans	-68.7	-38.3	176.8	-67.7	-70.4	-84.5	0	0	112.4	T662 A663 S664 I670	T662-M666 VanDerWaalsContact O-CG 3.27Å; T662-M666 WeakPolarHBondContact O-CG 3.34Å; T662-M666 PolarHBondContact O-N 2.62Å; T662-M666 VanDerWaalsContact O-N 3.08Å; A663-M666 PolarHBondContact O-N 2.9Å; S664-M666 VanDerWaalsContact C-N 3.32Å; S664-M666 PolarHBondContact O-N 3.17Å; M666-I670 HydrophobicContact CE-CD1 3.5Å; M666-I670 WeakPolarHBondContact O-CB 3.47Å; M666-I670 PolarHBondContact O-N 2.55Å; M666-I670 HydrophobicContact SD-CD1 3.82Å
667	L	89	Confident	86.7	Confident	105 Å²	105	57.3 Å²	57.3	55%	0.55	33%	0.328	S	S	.	.	I	π-helix	trans	-60.1	-49.1	175.2	-175.1	73.3	0	0	0	111.4	A663 S664 V671 A672	A663-L667 WeakPolarHBondContact O-CB 3.48Å; A663-L667 PolarHBondContact O-N 3.21Å; S664-L667 PolarHBondContact O-N 2.88Å; L667-V671 HydrophobicContact CD1-CB 4.22Å; L667-V671 HydrophobicContact CD1-CG2 4.18Å; L667-V671 WeakPolarHBondContact O-CA 3.28Å; L667-V671 VanDerWaalsContact O-CB 3.27Å; L667-V671 WeakPolarHBondContact O-CB 3.31Å; L667-V671 PolarHBondContact O-N 3.36Å; L667-A672 PolarHBondContact O-N 2.82Å
668	V	87.6	Confident	87	Confident	19 Å²	19	58.9 Å²	58.9	12%	0.115	33%	0.332	C	S	.	.	I	π-helix	trans	-68.3	-50.9	179.1	177	0	0	0	0	110.7	S664 I670 A672 I673 F749	S664-V668 WeakPolarHBondContact O-CG2 3.23Å; S664-V668 PolarHBondContact O-N 3.01Å; V668-I670 PolarHBondContact O-N 2.71Å; V668-A672 PolarHBondContact O-N 2.9Å; V668-I673 WeakPolarHBondContact O-CG1 3.43Å; V668-I673 PolarHBondContact O-N 2.67Å; V668-I673 VanDerWaalsContact O-N 3.14Å; V668-F749 HydrophobicContact CG1-CE2 4.35Å; V668-F749 HydrophobicContact CG1-CZ 4.21Å; V668-F749 HydrophobicContact CG2-CD2 4.3Å; V668-F749 HydrophobicContact CG2-CE2 3.84Å; V668-F749 HydrophobicContact CG2-CZ 4.41Å
669	G	83	Confident	87.2	Confident	26 Å²	26	58.6 Å²	58.6	27%	0.268	33%	0.332	S	S	.	.	I	π-helix	trans	-66.6	-37.3	-173.6	0	0	0	0	0	114.9	W665	W665-G669 PolarHBondContact O-N 2.91Å
670	I	81.3	Confident	87.3	Confident	98 Å²	98	58 Å²	58	50%	0.503	33%	0.327	S	S	.	.	I	π-helix	trans	-106.5	-39.7	-173.9	-55.9	-177.7	0	0	0	112.3	M666 V668 Q674	M666-I670 HydrophobicContact CE-CD1 3.5Å; M666-I670 WeakPolarHBondContact O-CB 3.47Å; M666-I670 PolarHBondContact O-N 2.55Å; M666-I670 HydrophobicContact SD-CD1 3.82Å; V668-I670 PolarHBondContact O-N 2.71Å; I670-Q674 WeakPolarHBondContact O-CB 3.49Å; I670-Q674 WeakPolarHBondContact O-CG 3.48Å
671	V	85.9	Confident	87.1	Confident	87 Å²	87	58.8 Å²	58.8	53%	0.527	33%	0.331	S	S	.	.	I	π-helix	trans	-89.6	-56.2	-176.7	-170.7	0	0	0	0	110.9	L667 A675	L667-V671 HydrophobicContact CD1-CB 4.22Å; L667-V671 HydrophobicContact CD1-CG2 4.18Å; L667-V671 WeakPolarHBondContact O-CA 3.28Å; L667-V671 VanDerWaalsContact O-CB 3.27Å; L667-V671 WeakPolarHBondContact O-CB 3.31Å; L667-V671 PolarHBondContact O-N 3.36Å; V671-A675 WeakPolarHBondContact O-CB 3.1Å; V671-A675 PolarHBondContact O-N 2.83Å
672	A	87.8	Confident	86.8	Confident	25 Å²	25	57.9 Å²	57.9	21%	0.207	33%	0.326	C	S	.	.	I	π-helix	trans	-67	-49.5	-172.3	0	0	0	0	0	112.9	L667 V668 Q674 A675 A676 W742	L667-A672 PolarHBondContact O-N 2.82Å; V668-A672 PolarHBondContact O-N 2.9Å; A672-Q674 PolarHBondContact O-N 3.36Å; A672-A675 PolarHBondContact O-N 2.57Å; A672-A676 VanDerWaalsContact O-CB 3.3Å; A672-A676 WeakPolarHBondContact O-CB 3.49Å; A672-A676 PolarHBondContact O-N 3.18Å; A672-W742 HydrophobicContact CB-CH2 4.3Å; A672-W742 HydrophobicContact CB-CZ3 4.21Å
673	I	90.3	Very high	86.6	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-62.4	-41.4	-179.4	-70.5	174.8	0	0	0	112	V668 T677 Y713 V716 W717 L720 W742	V668-I673 WeakPolarHBondContact O-CG1 3.43Å; V668-I673 PolarHBondContact O-N 2.67Å; V668-I673 VanDerWaalsContact O-N 3.14Å; I673-T677 WeakPolarHBondContact O-CB 2.98Å; I673-T677 PolarHBondContact O-N 2.95Å; I673-T677 PolarHBondContact O-OG1 3.28Å; I673-Y713 HydrophobicContact CG2-CD2 4.45Å; I673-Y713 HydrophobicContact CG2-CE2 3.85Å; I673-V716 HydrophobicContact CB-CG1 4.42Å; I673-V716 HydrophobicContact CG2-CG1 3.95Å; I673-W717 HydrophobicContact CD1-CD2 4.2Å; I673-W717 HydrophobicContact CD1-CE3 4.18Å; I673-W717 HydrophobicContact CD1-CH2 3.52Å; I673-W717 HydrophobicContact CD1-CZ2 3.5Å; I673-W717 VanDerWaalsContact CD1-CZ2 3.5Å; I673-W717 HydrophobicContact CD1-CZ3 3.85Å; I673-W717 HydrophobicContact CG2-CZ2 4.38Å; I673-L720 HydrophobicContact CD1-CD2 3.53Å; I673-L720 HydrophobicContact CG1-CD2 4.01Å; I673-W742 HydrophobicContact CG1-CH2 4.04Å; I673-W742 HydrophobicContact CG1-CZ2 4.16Å
674	Q	88.6	Confident	86.1	Confident	64 Å²	64	54 Å²	54	30%	0.299	29%	0.289	S	S	.	.	H	α-helix	trans	-70.1	-46.5	178.8	-58.6	-63.1	-18.3	0	0	110.6	I670 A672 A676 T677 F678 Y713	I670-Q674 WeakPolarHBondContact O-CB 3.49Å; I670-Q674 WeakPolarHBondContact O-CG 3.48Å; A672-Q674 PolarHBondContact O-N 3.36Å; Q674-A676 PolarHBondContact O-N 2.79Å; Q674-T677 PolarHBondContact O-N 2.59Å; Q674-F678 HydrophobicContact CB-CD2 4.4Å; Q674-F678 VanDerWaalsContact O-CD2 3.22Å; Q674-F678 WeakPolarHBondContact O-CD2 3.45Å; Q674-F678 PolarHBondContact O-N 3.1Å; Q674-Y713 PolarHBondContact NE2-OH 3.3Å
675	A	88.2	Confident	85.4	Confident	52 Å²	52	56.9 Å²	56.9	43%	0.43	29%	0.292	S	S	.	.	H	α-helix	trans	-58.6	-45.1	176.3	0	0	0	0	0	111.9	V671 A672 F678 M679	V671-A675 WeakPolarHBondContact O-CB 3.1Å; V671-A675 PolarHBondContact O-N 2.83Å; A672-A675 PolarHBondContact O-N 2.57Å; A675-F678 PolarHBondContact O-N 2.97Å; A675-M679 VanDerWaalsContact O-CB 3.25Å; A675-M679 WeakPolarHBondContact O-CB 3.4Å; A675-M679 WeakPolarHBondContact O-CG 3.38Å; A675-M679 PolarHBondContact O-N 2.93Å
676	A	88.4	Confident	84.6	Confident	7 Å²	7	58.2 Å²	58.2	6%	0.058	31%	0.305	C	S	.	.	H	α-helix	trans	-60.7	-46.8	175.4	0	0	0	0	0	111.9	A672 Q674 M679 I680 V716 W742	A672-A676 VanDerWaalsContact O-CB 3.3Å; A672-A676 WeakPolarHBondContact O-CB 3.49Å; A672-A676 PolarHBondContact O-N 3.18Å; Q674-A676 PolarHBondContact O-N 2.79Å; A676-M679 PolarHBondContact O-N 3.06Å; A676-I680 WeakPolarHBondContact O-CB 3.39Å; A676-I680 VanDerWaalsContact O-CG1 3.27Å; A676-I680 WeakPolarHBondContact O-CG1 3.47Å; A676-I680 PolarHBondContact O-N 3.03Å; A676-V716 HydrophobicContact CB-CG1 4.24Å; A676-V716 HydrophobicContact CB-CG2 4.34Å; A676-W742 HydrophobicContact CB-CD2 3.76Å; A676-W742 HydrophobicContact CB-CE3 3.48Å; A676-W742 VanDerWaalsContact CB-CE3 3.48Å; A676-W742 HydrophobicContact CB-CG 4.39Å; A676-W742 HydrophobicContact CB-CH2 4.24Å; A676-W742 HydrophobicContact CB-CZ2 4.49Å; A676-W742 HydrophobicContact CB-CZ3 3.73Å
677	T	86.9	Confident	83.8	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-49.4	178.5	-56.8	0	0	0	0	111.7	I673 Q674 F681 T712 Y713	I673-T677 WeakPolarHBondContact O-CB 2.98Å; I673-T677 PolarHBondContact O-N 2.95Å; I673-T677 PolarHBondContact O-OG1 3.28Å; Q674-T677 PolarHBondContact O-N 2.59Å; T677-F681 VanDerWaalsContact O-CB 3.24Å; T677-F681 WeakPolarHBondContact O-CB 3.28Å; T677-F681 PolarHBondContact O-N 3.23Å; T677-T712 HydrophobicContact CG2-CG2 4.18Å; T677-Y713 HydrophobicContact CG2-CD2 4.03Å
678	F	86.6	Confident	82.5	Confident	112 Å²	112	54.5 Å²	54.5	49%	0.491	30%	0.296	S	S	.	.	H	α-helix	trans	-67.3	-38.6	-179.7	-79.4	-65.8	0	0	0	112.4	Q674 A675 L682 L709	Q674-F678 HydrophobicContact CB-CD2 4.4Å; Q674-F678 VanDerWaalsContact O-CD2 3.22Å; Q674-F678 WeakPolarHBondContact O-CD2 3.45Å; Q674-F678 PolarHBondContact O-N 3.1Å; A675-F678 PolarHBondContact O-N 2.97Å; F678-L682 WeakPolarHBondContact O-CB 3.21Å; F678-L682 PolarHBondContact O-N 2.9Å; F678-L709 HydrophobicContact CE1-CD1 4.01Å
679	M	86	Confident	81.2	Confident	74 Å²	74	57.2 Å²	57.2	37%	0.365	32%	0.316	S	S	.	.	H	α-helix	trans	-71.7	-40.7	179.1	-69.5	-66.8	-78.5	0	0	112.6	A675 A676 L682 F683 M738	A675-M679 VanDerWaalsContact O-CB 3.25Å; A675-M679 WeakPolarHBondContact O-CB 3.4Å; A675-M679 WeakPolarHBondContact O-CG 3.38Å; A675-M679 PolarHBondContact O-N 2.93Å; A676-M679 PolarHBondContact O-N 3.06Å; M679-L682 PolarHBondContact O-N 3.37Å; M679-L682 HydrophobicContact SD-CD2 4.47Å; M679-F683 HydrophobicContact CE-CE2 3.7Å; M679-F683 HydrophobicContact CE-CZ 3.81Å; M679-F683 WeakPolarHBondContact O-CB 3.16Å; M679-F683 WeakPolarHBondContact O-CD2 3.3Å; M679-F683 WeakPolarHBondContact O-CG 3.34Å; M679-F683 PolarHBondContact O-N 3.49Å; M679-M738 HydrophobicContact CB-CE 3.96Å
680	I	86.6	Confident	80.3	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-64.4	-43	173.7	-66.8	167.9	0	0	0	110.1	A676 E684 F707 T712 L715 V716 M738	A676-I680 WeakPolarHBondContact O-CB 3.39Å; A676-I680 VanDerWaalsContact O-CG1 3.27Å; A676-I680 WeakPolarHBondContact O-CG1 3.47Å; A676-I680 PolarHBondContact O-N 3.03Å; I680-E684 WeakPolarHBondContact O-CB 3.33Å; I680-E684 PolarHBondContact O-N 3.24Å; I680-F707 HydrophobicContact CG2-CE1 4.35Å; I680-F707 HydrophobicContact CG2-CZ 4.39Å; I680-T712 HydrophobicContact CB-CG2 4Å; I680-T712 HydrophobicContact CG2-CG2 3.73Å; I680-L715 HydrophobicContact CD1-CD2 4.48Å; I680-V716 HydrophobicContact CD1-CG2 4.02Å; I680-M738 HydrophobicContact CG1-CB 4.21Å; I680-M738 HydrophobicContact CG1-CG 3.76Å
681	F	83.1	Confident	79.2	Confident	51 Å²	51	56.1 Å²	56.1	22%	0.224	31%	0.305	C	S	.	.	H	α-helix	trans	-62.9	-44.6	175	179.5	-102.3	0	0	0	112.4	T677 E684 W685 L709 T712	T677-F681 VanDerWaalsContact O-CB 3.24Å; T677-F681 WeakPolarHBondContact O-CB 3.28Å; T677-F681 PolarHBondContact O-N 3.23Å; F681-E684 PolarHBondContact O-N 3.04Å; F681-W685 HydrophobicContact CE1-CE3 4.31Å; F681-W685 AromaticContact CZ-CE3 3.84Å; F681-W685 HydrophobicContact CZ-CE3 3.84Å; F681-W685 HydrophobicContact CZ-CZ3 4.3Å; F681-W685 VanDerWaalsContact O-CB 3.29Å; F681-W685 WeakPolarHBondContact O-CB 3.19Å; F681-W685 PolarHBondContact O-N 2.85Å; F681-L709 HydrophobicContact CD2-CB 4.36Å; F681-L709 HydrophobicContact CE2-CB 4.4Å; F681-T712 HydrophobicContact CB-CG2 4.42Å
682	L	82.4	Confident	77.5	Confident	80 Å²	80	56 Å²	56	42%	0.419	30%	0.301	S	S	.	.	H	α-helix	trans	-65.7	-40.8	179.5	-179.2	62.5	0	0	0	112.1	F678 M679 W685 L686	F678-L682 WeakPolarHBondContact O-CB 3.21Å; F678-L682 PolarHBondContact O-N 2.9Å; M679-L682 PolarHBondContact O-N 3.37Å; M679-L682 HydrophobicContact SD-CD2 4.47Å; L682-W685 PolarHBondContact O-N 3.17Å; L682-L686 HydrophobicContact CD1-CD1 3.84Å; L682-L686 HydrophobicContact CD1-CG 4.11Å; L682-L686 HydrophobicContact CG-CD1 3.89Å; L682-L686 HydrophobicContact CG-CG 4.48Å; L682-L686 WeakPolarHBondContact O-CB 3.42Å; L682-L686 VanDerWaalsContact O-CG 3.29Å; L682-L686 WeakPolarHBondContact O-CG 3.26Å; L682-L686 PolarHBondContact O-N 3.46Å
683	F	81.8	Confident	75.7	Confident	69 Å²	69	60.8 Å²	60.8	30%	0.303	32%	0.321	S	S	.	.	H	α-helix	trans	-72.4	-32.6	176.1	-71.9	-47.8	0	0	0	113.1	M679 W685 S687 M738	M679-F683 HydrophobicContact CE-CE2 3.7Å; M679-F683 HydrophobicContact CE-CZ 3.81Å; M679-F683 WeakPolarHBondContact O-CB 3.16Å; M679-F683 WeakPolarHBondContact O-CD2 3.3Å; M679-F683 WeakPolarHBondContact O-CG 3.34Å; M679-F683 PolarHBondContact O-N 3.49Å; F683-W685 VanDerWaalsContact C-N 3.33Å; F683-S687 WeakPolarHBondContact O-CB 3.46Å; F683-S687 PolarHBondContact O-N 2.74Å; F683-M738 HydrophobicContact CD2-CB 4.48Å; F683-M738 HydrophobicContact CD2-CG 4.36Å; F683-M738 HydrophobicContact CE2-SD 4.41Å
684	E	79.6	Confident	73.5	Confident	13 Å²	13	69.6 Å²	69.6	6%	0.061	36%	0.359	C	S	.	.	H	α-helix	trans	-68.3	-34	170	-164	74.4	176.1	0	0	111.5	I680 F681 Y691 F707 P730 R731 G732 S735	I680-E684 WeakPolarHBondContact O-CB 3.33Å; I680-E684 PolarHBondContact O-N 3.24Å; F681-E684 PolarHBondContact O-N 3.04Å; E684-Y691 PolarHBondContact O-N 2.75Å; E684-F707 HydrophobicContact CB-CD1 4.44Å; E684-F707 HydrophobicContact CB-CE1 4.44Å; E684-F707 HydrophobicContact CG-CD1 3.97Å; E684-F707 HydrophobicContact CG-CE1 4.29Å; E684-P730 WeakPolarHBondContact OE2-CB 3.44Å; E684-R731 PolarHBondContact OE1-N 2.99Å; E684-G732 PolarHBondContact OE1-N 3.19Å; E684-G732 PolarHBondContact OE2-N 2.88Å; E684-S735 WeakPolarHBondContact OE2-CB 3.23Å; E684-S735 PolarHBondContact OE2-OG 3.38Å
685	W	73.9	Confident	71.5	Confident	111 Å²	111	70.8 Å²	70.8	42%	0.42	37%	0.367	S	S	.	.	H	α-helix	trans	-69.2	-40.2	175.3	-175.2	-80.7	0	0	0	113.1	F681 L682 F683 Y691	F681-W685 HydrophobicContact CE1-CE3 4.31Å; F681-W685 AromaticContact CZ-CE3 3.84Å; F681-W685 HydrophobicContact CZ-CE3 3.84Å; F681-W685 HydrophobicContact CZ-CZ3 4.3Å; F681-W685 VanDerWaalsContact O-CB 3.29Å; F681-W685 WeakPolarHBondContact O-CB 3.19Å; F681-W685 PolarHBondContact O-N 2.85Å; L682-W685 PolarHBondContact O-N 3.17Å; F683-W685 VanDerWaalsContact C-N 3.33Å; W685-Y691 HydrophobicContact CD2-CD1 4.2Å; W685-Y691 AromaticContact CE3-CD1 3.6Å; W685-Y691 HydrophobicContact CE3-CD1 3.6Å; W685-Y691 HydrophobicContact CE3-CD2 4.48Å; W685-Y691 AromaticContact CE3-CE1 3.81Å; W685-Y691 HydrophobicContact CE3-CE1 3.81Å; W685-Y691 AromaticContact CE3-CG 3.97Å; W685-Y691 HydrophobicContact CE3-CG 3.97Å; W685-Y691 HydrophobicContact CH2-CD1 4.14Å; W685-Y691 AromaticContact CH2-CE1 3.83Å; W685-Y691 HydrophobicContact CH2-CE1 3.83Å; W685-Y691 AromaticContact CZ3-CD1 3.57Å; W685-Y691 HydrophobicContact CZ3-CD1 3.57Å; W685-Y691 AromaticContact CZ3-CE1 3.29Å; W685-Y691 HydrophobicContact CZ3-CE1 3.29Å; W685-Y691 HydrophobicContact CZ3-CG 4.32Å; W685-Y691 AromaticContact CZ3-CZ 3.82Å
686	L	72.3	Confident	69.5	Low	111 Å²	111	77.1 Å²	77.1	58%	0.581	38%	0.381	S	S	*	.	H	α-helix	trans	-85	-12.1	179.8	-67.9	173	0	0	0	113.8	L682 P688	L682-L686 HydrophobicContact CD1-CD1 3.84Å; L682-L686 HydrophobicContact CD1-CG 4.11Å; L682-L686 HydrophobicContact CG-CD1 3.89Å; L682-L686 HydrophobicContact CG-CG 4.48Å; L682-L686 WeakPolarHBondContact O-CB 3.42Å; L682-L686 VanDerWaalsContact O-CG 3.29Å; L682-L686 WeakPolarHBondContact O-CG 3.26Å; L682-L686 PolarHBondContact O-N 3.46Å; L686-P688 WeakPolarHBondContact O-CD 3.49Å
687	S	70	Confident	67.4	Low	15 Å²	15	84.4 Å²	84.4	11%	0.105	42%	0.418	C	S	.	.			trans	-76.3	127.4	-177.7	-169.3	0	0	0	0	111.7	F683 S689 G690	F683-S687 WeakPolarHBondContact O-CB 3.46Å; F683-S687 PolarHBondContact O-N 2.74Å; S687-S689 PolarHBondContact O-N 3.33Å; S687-S689 VanDerWaalsContact O-N 3.11Å; S687-S689 PolarHBondContact OG-OG 3.04Å; S687-G690 WeakPolarHBondContact O-CA 3.26Å; S687-G690 PolarHBondContact O-N 2.8Å
688	P	63.3	Low	65.4	Low	129 Å²	129	92.3 Å²	92.3	84%	0.838	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-18	176.3	-25.1	35.3	0	0	0	114.9	L686	L686-P688 WeakPolarHBondContact O-CD 3.49Å
689	S	60.3	Low	63.1	Low	75 Å²	75	91.5 Å²	91.5	52%	0.524	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	6.4	172.9	54.9	0	0	0	0	113.6	S687	S687-S689 PolarHBondContact O-N 3.33Å; S687-S689 VanDerWaalsContact O-N 3.11Å; S687-S689 PolarHBondContact OG-OG 3.04Å
690	G	63.6	Low	61.2	Low	22 Å²	22	94.6 Å²	94.6	23%	0.227	48%	0.479	C	S	.	.	S	Bend	trans	-102	-113.6	177	0	0	0	0	0	112.2	S687 D692	S687-G690 WeakPolarHBondContact O-CA 3.26Å; S687-G690 PolarHBondContact O-N 2.8Å; G690-D692 VanDerWaalsContact C-N 3.34Å; G690-D692 PolarHBondContact O-N 3.04Å
691	Y	58.1	Low	59.3	Low	79 Å²	79	100.5 Å²	100.5	31%	0.31	51%	0.511	S	S	.	.			trans	-82.3	65.5	-168.8	-153.5	-91.4	0	0	0	113.8	E684 W685 M693	E684-Y691 PolarHBondContact O-N 2.75Å; W685-Y691 HydrophobicContact CD2-CD1 4.2Å; W685-Y691 AromaticContact CE3-CD1 3.6Å; W685-Y691 HydrophobicContact CE3-CD1 3.6Å; W685-Y691 HydrophobicContact CE3-CD2 4.48Å; W685-Y691 AromaticContact CE3-CE1 3.81Å; W685-Y691 HydrophobicContact CE3-CE1 3.81Å; W685-Y691 AromaticContact CE3-CG 3.97Å; W685-Y691 HydrophobicContact CE3-CG 3.97Å; W685-Y691 HydrophobicContact CH2-CD1 4.14Å; W685-Y691 AromaticContact CH2-CE1 3.83Å; W685-Y691 HydrophobicContact CH2-CE1 3.83Å; W685-Y691 AromaticContact CZ3-CD1 3.57Å; W685-Y691 HydrophobicContact CZ3-CD1 3.57Å; W685-Y691 AromaticContact CZ3-CE1 3.29Å; W685-Y691 HydrophobicContact CZ3-CE1 3.29Å; W685-Y691 HydrophobicContact CZ3-CG 4.32Å; W685-Y691 AromaticContact CZ3-CZ 3.82Å; Y691-M693 PolarHBondContact O-N 2.71Å
692	D	49.2	Very low	57.7	Low	85 Å²	85	102.8 Å²	102.8	46%	0.455	53%	0.529	S	S	.	.			trans	-71.2	87.8	178.7	-175	18.1	0	0	0	113.1	G690 K694 L695	G690-D692 VanDerWaalsContact C-N 3.34Å; G690-D692 PolarHBondContact O-N 3.04Å; D692-K694 PolarHBondContact O-N 3.06Å; D692-K694 WeakPolarHBondContact OD1-CA 3.35Å; D692-K694 WeakPolarHBondContact OD1-CB 3.01Å; D692-K694 PolarHBondContact OD1-N 3.28Å; D692-L695 PolarHBondContact O-N 3.38Å
693	M	51.5	Low	56.1	Low	126 Å²	126	103.6 Å²	103.6	62%	0.621	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-12.9	174	-166.7	166	67.4	0	0	113	Y691 L695	Y691-M693 PolarHBondContact O-N 2.71Å; M693-L695 VanDerWaalsContact C-N 3.31Å; M693-L695 PolarHBondContact O-N 2.95Å
694	K	43.3	Very low	54.4	Low	186 Å²	186	103.7 Å²	103.7	81%	0.809	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-24.2	-179.5	-145.3	173.6	-172.1	178.1	0	112.4	D692	D692-K694 PolarHBondContact O-N 3.06Å; D692-K694 WeakPolarHBondContact OD1-CA 3.35Å; D692-K694 WeakPolarHBondContact OD1-CB 3.01Å; D692-K694 PolarHBondContact OD1-N 3.28Å
695	L	46	Very low	53.2	Low	88 Å²	88	109.6 Å²	109.6	46%	0.461	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.5	-23	179.1	-126.1	164.9	0	0	0	113.7	D692 M693 L697 Q698 N699	D692-L695 PolarHBondContact O-N 3.38Å; M693-L695 VanDerWaalsContact C-N 3.31Å; M693-L695 PolarHBondContact O-N 2.95Å; L695-L697 PolarHBondContact O-N 2.99Å; L695-Q698 PolarHBondContact O-N 3.1Å; L695-N699 HydrophobicContact CD2-CB 4.36Å
696	Y	46.2	Very low	52.2	Low	185 Å²	185	112.1 Å²	112.1	73%	0.725	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-29.7	-177.2	-176.7	-107.6	0	0	0	113.6
697	L	45.6	Very low	51.6	Low	161 Å²	161	108.1 Å²	108.1	84%	0.843	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-8.9	-174.3	-121.9	161.1	0	0	0	114.2	L695	L695-L697 PolarHBondContact O-N 2.99Å
698	Q	43.3	Very low	51.5	Low	167 Å²	167	108.9 Å²	108.9	78%	0.78	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.3	-14.2	-169	-164.2	166.6	-3.7	0	0	115.8	L695	L695-Q698 PolarHBondContact O-N 3.1Å
699	N	39.6	Very low	52	Low	95 Å²	95	105.5 Å²	105.5	51%	0.508	54%	0.535	S	S	.	.			trans	-141.6	114.3	178.2	-103.9	-50.9	0	0	0	114	L695 N701 V702	L695-N699 HydrophobicContact CD2-CB 4.36Å; N699-N701 VanDerWaalsContact C-N 3.28Å; N699-N701 PolarHBondContact O-N 3.05Å; N699-V702 HydrophobicContact CB-CG2 4.32Å
700	T	45.9	Very low	52.7	Low	139 Å²	139	106.8 Å²	106.8	85%	0.853	53%	0.531	S	S	*	.	S	Bend	trans	-80.5	3.9	-179.5	43	0	0	0	0	115
701	N	47.1	Very low	53.3	Low	124 Å²	124	110.5 Å²	110.5	66%	0.663	54%	0.538	S	S	*	.	S	Bend	trans	-121.5	39.5	-174.1	-65.7	-73.2	0	0	0	113.3	N699	N699-N701 VanDerWaalsContact C-N 3.28Å; N699-N701 PolarHBondContact O-N 3.05Å
702	V	48.5	Very low	54.4	Low	99 Å²	99	106.8 Å²	106.8	60%	0.6	52%	0.523	S	S	*	.	S	Bend	trans	-122.6	146.3	175	-174.5	0	0	0	0	109.8	N699	N699-V702 HydrophobicContact CB-CG2 4.32Å
703	T	48.2	Very low	56.2	Low	97 Å²	97	106.2 Å²	106.2	60%	0.595	52%	0.516	S	S	*	.			trans	-46.6	137.2	-170.5	55.2	0	0	0	0	113.9	Y705	T703-Y705 PolarHBondContact O-N 3.05Å
704	P	47.3	Very low	57.8	Low	71 Å²	71	107.5 Å²	107.5	46%	0.461	51%	0.514	S	S	.	.			trans	-58	139.2	173.8	25.4	-34.2	0	0	0	110.8	R706 E984	P704-R706 PolarHBondContact O-N 3.49Å; P704-E984 WeakPolarHBondContact CD-OE1 3.45Å; P704-E984 WeakPolarHBondContact CG-OE1 3.49Å
705	Y	53.6	Low	59.7	Low	137 Å²	137	98.9 Å²	98.9	54%	0.537	48%	0.476	S	S	.	.			trans	-61.7	111.9	-179.5	54.4	-92.2	0	0	0	110	T703 F707	T703-Y705 PolarHBondContact O-N 3.05Å; Y705-F707 VanDerWaalsContact C-N 3.3Å
706	R	53.6	Low	61.8	Low	164 Å²	164	94.7 Å²	94.7	62%	0.619	45%	0.454	S	S	*	.			trans	-79	-14.1	-177.7	-73	-178.3	71.5	136.7	-6.3	113.4	P704 R711 D728	P704-R706 PolarHBondContact O-N 3.49Å; R706-R711 WeakPolarHBondContact O-CD 3.3Å; R706-R711 PolarHBondContact O-NH1 3.48Å; R706-D728 IonicContact CZ-OD1 3.72Å; R706-D728 VanDerWaalsContact CZ-OD1 3.25Å; R706-D728 IonicContact CZ-OD2 2.69Å; R706-D728 VanDerWaalsContact NE-CG 3.31Å; R706-D728 IonicContact NE-OD1 2.74Å; R706-D728 PolarHBondContact NE-OD1 3.48Å; R706-D728 VanDerWaalsContact NE-OD1 3.16Å; R706-D728 IonicContact NE-OD2 3.8Å; R706-D728 PolarHBondContact NE-OD2 3.16Å; R706-D728 IonicContact NH2-OD1 3.02Å; R706-D728 PolarHBondContact NH2-OD1 3.02Å; R706-D728 IonicContact NH2-OD2 2.66Å; R706-D728 PolarHBondContact NH2-OD2 2.64Å
707	F	59.7	Low	63.7	Low	26 Å²	26	89.4 Å²	89.4	11%	0.114	43%	0.433	C	S	.	.			trans	-100.8	133.3	179.2	-134.5	-113.8	0	0	0	110.4	I680 E684 Y705 T712 L715 D728 P730	I680-F707 HydrophobicContact CG2-CE1 4.35Å; I680-F707 HydrophobicContact CG2-CZ 4.39Å; E684-F707 HydrophobicContact CB-CD1 4.44Å; E684-F707 HydrophobicContact CB-CE1 4.44Å; E684-F707 HydrophobicContact CG-CD1 3.97Å; E684-F707 HydrophobicContact CG-CE1 4.29Å; Y705-F707 VanDerWaalsContact C-N 3.3Å; F707-T712 HydrophobicContact CE1-CG2 4.01Å; F707-T712 VanDerWaalsContact CE1-OG1 3.3Å; F707-T712 WeakPolarHBondContact CE1-OG1 3.37Å; F707-T712 HydrophobicContact CZ-CG2 4.3Å; F707-L715 HydrophobicContact CE2-CD1 4.07Å; F707-L715 HydrophobicContact CZ-CD1 4.06Å; F707-D728 WeakPolarHBondContact CE2-O 3.28Å; F707-P730 HydrophobicContact CE2-CB 4.35Å; F707-P730 HydrophobicContact CZ-CB 4.05Å
708	S	68.3	Low	65.7	Low	31 Å²	31	82.3 Å²	82.3	22%	0.217	40%	0.397	C	S	.	.			trans	-154.7	151	-177.5	169.3	0	0	0	0	107.5	F710 R711 T712	S708-F710 VanDerWaalsContact C-N 3.26Å; S708-F710 PolarHBondContact O-N 3.13Å; S708-F710 VanDerWaalsContact O-N 3.13Å; S708-R711 CarbonylContact O-C 3.58Å; S708-R711 WeakPolarHBondContact O-CA 3.48Å; S708-R711 WeakPolarHBondContact O-CB 3.3Å; S708-R711 PolarHBondContact O-N 3.22Å; S708-T712 PolarHBondContact O-N 2.93Å; S708-T712 PolarHBondContact O-OG1 2.94Å
709	L	73.3	Confident	67.8	Low	59 Å²	59	76 Å²	76	31%	0.309	37%	0.371	S	S	.	.	H	α-helix	trans	-51.8	-42.5	-173.5	-171.1	156.5	0	0	0	112.8	F678 F681 R711 T712 Y713	F678-L709 HydrophobicContact CE1-CD1 4.01Å; F681-L709 HydrophobicContact CD2-CB 4.36Å; F681-L709 HydrophobicContact CE2-CB 4.4Å; L709-R711 VanDerWaalsContact C-N 3.29Å; L709-R711 PolarHBondContact O-N 3.13Å; L709-T712 WeakPolarHBondContact O-CB 3.47Å; L709-T712 PolarHBondContact O-N 3.23Å; L709-Y713 WeakPolarHBondContact O-CB 3.47Å; L709-Y713 PolarHBondContact O-N 3.49Å
710	F	75.1	Confident	70	Confident	101 Å²	101	72 Å²	72	44%	0.443	35%	0.349	S	S	.	.	H	α-helix	trans	-64.9	-29.1	175.4	-65.7	-73.7	0	0	0	113.9	S708 W714 I968 M972	S708-F710 VanDerWaalsContact C-N 3.26Å; S708-F710 PolarHBondContact O-N 3.13Å; S708-F710 VanDerWaalsContact O-N 3.13Å; F710-W714 WeakPolarHBondContact O-CB 3.26Å; F710-W714 PolarHBondContact O-N 2.84Å; F710-I968 HydrophobicContact CE2-CG2 4.27Å; F710-I968 HydrophobicContact CZ-CG2 4.41Å; F710-M972 HydrophobicContact CD1-CE 4.22Å; F710-M972 HydrophobicContact CD2-CE 4.15Å; F710-M972 HydrophobicContact CE1-CE 4.25Å; F710-M972 HydrophobicContact CE2-CE 4.17Å; F710-M972 HydrophobicContact CG-CE 4.17Å; F710-M972 HydrophobicContact CZ-CE 4.22Å
711	R	75.9	Confident	72	Confident	101 Å²	101	72.3 Å²	72.3	38%	0.381	34%	0.339	S	S	.	.	H	α-helix	trans	-79.9	-33.2	173.7	-67.1	180	162.9	-138.2	-9.2	111.9	R706 S708 L709 Y713 W714 L715 D728	R706-R711 WeakPolarHBondContact O-CD 3.3Å; R706-R711 PolarHBondContact O-NH1 3.48Å; S708-R711 CarbonylContact O-C 3.58Å; S708-R711 WeakPolarHBondContact O-CA 3.48Å; S708-R711 WeakPolarHBondContact O-CB 3.3Å; S708-R711 PolarHBondContact O-N 3.22Å; L709-R711 VanDerWaalsContact C-N 3.29Å; L709-R711 PolarHBondContact O-N 3.13Å; R711-Y713 VanDerWaalsContact C-N 3.34Å; R711-W714 PolarHBondContact O-N 3.04Å; R711-L715 WeakPolarHBondContact O-CB 3.38Å; R711-L715 PolarHBondContact O-N 2.92Å; R711-D728 IonicContact NH1-OD2 3.25Å; R711-D728 PolarHBondContact NH1-OD2 2.98Å
712	T	82	Confident	73.7	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.4	-42.7	168.9	-44.3	0	0	0	0	110.6	T677 I680 F681 F707 S708 L709 L715 V716	T677-T712 HydrophobicContact CG2-CG2 4.18Å; I680-T712 HydrophobicContact CB-CG2 4Å; I680-T712 HydrophobicContact CG2-CG2 3.73Å; F681-T712 HydrophobicContact CB-CG2 4.42Å; F707-T712 HydrophobicContact CE1-CG2 4.01Å; F707-T712 VanDerWaalsContact CE1-OG1 3.3Å; F707-T712 WeakPolarHBondContact CE1-OG1 3.37Å; F707-T712 HydrophobicContact CZ-CG2 4.3Å; S708-T712 PolarHBondContact O-N 2.93Å; S708-T712 PolarHBondContact O-OG1 2.94Å; L709-T712 WeakPolarHBondContact O-CB 3.47Å; L709-T712 PolarHBondContact O-N 3.23Å; T712-L715 WeakPolarHBondContact O-CB 3.4Å; T712-L715 PolarHBondContact O-N 2.93Å; T712-V716 WeakPolarHBondContact O-CG2 3.28Å; T712-V716 PolarHBondContact O-N 2.74Å
713	Y	86	Confident	75.3	Confident	74 Å²	74	68.8 Å²	68.8	29%	0.29	32%	0.32	S	S	.	.	H	α-helix	trans	-60.7	-45.3	173.9	-164.4	-110.1	0	0	0	111.1	I673 Q674 T677 L709 R711 L715 V716 W717	I673-Y713 HydrophobicContact CG2-CD2 4.45Å; I673-Y713 HydrophobicContact CG2-CE2 3.85Å; Q674-Y713 PolarHBondContact NE2-OH 3.3Å; T677-Y713 HydrophobicContact CG2-CD2 4.03Å; L709-Y713 WeakPolarHBondContact O-CB 3.47Å; L709-Y713 PolarHBondContact O-N 3.49Å; R711-Y713 VanDerWaalsContact C-N 3.34Å; Y713-L715 PolarHBondContact O-N 3.5Å; Y713-V716 PolarHBondContact O-N 3.17Å; Y713-W717 AromaticContact CD1-CD1 3.68Å; Y713-W717 AromaticContact CD1-NE1 3.84Å; Y713-W717 AromaticContact CE1-CD1 3.56Å; Y713-W717 AromaticContact CE1-NE1 3.22Å; Y713-W717 AromaticContact CE2-NE1 3.69Å; Y713-W717 AromaticContact CZ-CD1 3.85Å; Y713-W717 AromaticContact CZ-NE1 3.14Å; Y713-W717 VanDerWaalsContact O-CD1 3.28Å; Y713-W717 PolarHBondContact O-N 2.89Å; Y713-W717 PolarHBondContact OH-NE1 2.8Å
714	W	84.3	Confident	76.6	Confident	153 Å²	153	69.2 Å²	69.2	58%	0.58	33%	0.333	S	S	*	.	H	α-helix	trans	-61.5	-39.7	174.2	-171	-97.9	0	0	0	113.1	F710 R711 A718 V725	F710-W714 WeakPolarHBondContact O-CB 3.26Å; F710-W714 PolarHBondContact O-N 2.84Å; R711-W714 PolarHBondContact O-N 3.04Å; W714-A718 VanDerWaalsContact O-CB 3.22Å; W714-A718 WeakPolarHBondContact O-CB 3.42Å; W714-A718 PolarHBondContact O-N 3.19Å; W714-V725 HydrophobicContact CZ2-CG1 4.47Å
715	L	84.8	Confident	77.9	Confident	4 Å²	4	69.1 Å²	69.1	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-47.6	172.9	174.9	158.5	0	0	0	111.4	I680 F707 R711 T712 Y713 W717 A718 V719 V727 T739	I680-L715 HydrophobicContact CD1-CD2 4.48Å; F707-L715 HydrophobicContact CE2-CD1 4.07Å; F707-L715 HydrophobicContact CZ-CD1 4.06Å; R711-L715 WeakPolarHBondContact O-CB 3.38Å; R711-L715 PolarHBondContact O-N 2.92Å; T712-L715 WeakPolarHBondContact O-CB 3.4Å; T712-L715 PolarHBondContact O-N 2.93Å; Y713-L715 PolarHBondContact O-N 3.5Å; L715-W717 PolarHBondContact O-N 3.01Å; L715-A718 PolarHBondContact O-N 3Å; L715-V719 HydrophobicContact CD2-CG2 4.41Å; L715-V719 WeakPolarHBondContact O-CB 3.35Å; L715-V719 VanDerWaalsContact O-CG2 3.31Å; L715-V719 WeakPolarHBondContact O-CG2 3.35Å; L715-V719 PolarHBondContact O-N 2.96Å; L715-V727 HydrophobicContact CB-CG1 3.67Å; L715-V727 HydrophobicContact CD1-CG1 3.73Å; L715-V727 HydrophobicContact CG-CG1 3.7Å; L715-T739 HydrophobicContact CD2-CG2 4.08Å
716	V	88.6	Confident	78.6	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-60.7	-44.2	-179.8	166.2	0	0	0	0	111.2	I673 A676 I680 T712 Y713 L720 W742	I673-V716 HydrophobicContact CB-CG1 4.42Å; I673-V716 HydrophobicContact CG2-CG1 3.95Å; A676-V716 HydrophobicContact CB-CG1 4.24Å; A676-V716 HydrophobicContact CB-CG2 4.34Å; I680-V716 HydrophobicContact CD1-CG2 4.02Å; T712-V716 WeakPolarHBondContact O-CG2 3.28Å; T712-V716 PolarHBondContact O-N 2.74Å; Y713-V716 PolarHBondContact O-N 3.17Å; V716-L720 WeakPolarHBondContact O-CB 3.26Å; V716-L720 PolarHBondContact O-N 2.82Å; V716-W742 HydrophobicContact CG1-CH2 4.49Å; V716-W742 HydrophobicContact CG1-CZ2 3.64Å; V716-W742 PolarHBondContact O-NE1 3.16Å
717	W	87.3	Confident	79.4	Confident	75 Å²	75	66.1 Å²	66.1	28%	0.284	33%	0.331	S	S	.	.	H	α-helix	trans	-68.8	-41.2	175.3	-82.8	104.4	0	0	0	113.7	I673 Y713 L715 V719 L720 F721	I673-W717 HydrophobicContact CD1-CD2 4.2Å; I673-W717 HydrophobicContact CD1-CE3 4.18Å; I673-W717 HydrophobicContact CD1-CH2 3.52Å; I673-W717 HydrophobicContact CD1-CZ2 3.5Å; I673-W717 VanDerWaalsContact CD1-CZ2 3.5Å; I673-W717 HydrophobicContact CD1-CZ3 3.85Å; I673-W717 HydrophobicContact CG2-CZ2 4.38Å; Y713-W717 AromaticContact CD1-CD1 3.68Å; Y713-W717 AromaticContact CD1-NE1 3.84Å; Y713-W717 AromaticContact CE1-CD1 3.56Å; Y713-W717 AromaticContact CE1-NE1 3.22Å; Y713-W717 AromaticContact CE2-NE1 3.69Å; Y713-W717 AromaticContact CZ-CD1 3.85Å; Y713-W717 AromaticContact CZ-NE1 3.14Å; Y713-W717 VanDerWaalsContact O-CD1 3.28Å; Y713-W717 PolarHBondContact O-N 2.89Å; Y713-W717 PolarHBondContact OH-NE1 2.8Å; L715-W717 PolarHBondContact O-N 3.01Å; W717-V719 VanDerWaalsContact C-N 3.35Å; W717-V719 PolarHBondContact O-N 2.91Å; W717-L720 HydrophobicContact CE3-CD2 4.16Å; W717-L720 HydrophobicContact CZ3-CD2 4.15Å; W717-L720 PolarHBondContact O-N 2.69Å; W717-F721 AromaticContact CE3-CD2 3.96Å; W717-F721 HydrophobicContact CE3-CD2 3.96Å; W717-F721 AromaticContact CE3-CE2 3.37Å; W717-F721 HydrophobicContact CE3-CE2 3.37Å; W717-F721 HydrophobicContact CE3-CZ 4.06Å; W717-F721 HydrophobicContact CZ3-CD2 4.45Å; W717-F721 AromaticContact CZ3-CE2 3.49Å; W717-F721 HydrophobicContact CZ3-CE2 3.49Å; W717-F721 VanDerWaalsContact CZ3-CE2 3.49Å; W717-F721 AromaticContact CZ3-CZ 3.71Å; W717-F721 HydrophobicContact CZ3-CZ 3.71Å; W717-F721 PolarHBondContact O-N 3.01Å; W717-F721 VanDerWaalsContact O-N 3.12Å
718	A	86.4	Confident	79.9	Confident	11 Å²	11	67.1 Å²	67.1	9%	0.091	34%	0.338	C	S	.	.	H	α-helix	trans	-64.3	-40.1	178	0	0	0	0	0	111.8	W714 L715 Q722 A723 V727	W714-A718 VanDerWaalsContact O-CB 3.22Å; W714-A718 WeakPolarHBondContact O-CB 3.42Å; W714-A718 PolarHBondContact O-N 3.19Å; L715-A718 PolarHBondContact O-N 3Å; A718-Q722 PolarHBondContact O-N 3.43Å; A718-Q722 VanDerWaalsContact O-N 3.13Å; A718-A723 PolarHBondContact O-N 2.87Å; A718-V727 HydrophobicContact CB-CG2 3.93Å
719	V	87.5	Confident	80.1	Confident	36 Å²	36	69.9 Å²	69.9	22%	0.218	36%	0.357	C	S	.	.	H	α-helix	trans	-66.7	-41.3	173.9	171.7	0	0	0	0	111.3	L715 W717 F721 Q722 A743 A746	L715-V719 HydrophobicContact CD2-CG2 4.41Å; L715-V719 WeakPolarHBondContact O-CB 3.35Å; L715-V719 VanDerWaalsContact O-CG2 3.31Å; L715-V719 WeakPolarHBondContact O-CG2 3.35Å; L715-V719 PolarHBondContact O-N 2.96Å; W717-V719 VanDerWaalsContact C-N 3.35Å; W717-V719 PolarHBondContact O-N 2.91Å; V719-F721 VanDerWaalsContact C-N 3.35Å; V719-F721 PolarHBondContact O-N 3.39Å; V719-Q722 PolarHBondContact O-N 3.42Å; V719-A743 HydrophobicContact CG1-CB 3.8Å; V719-A746 HydrophobicContact CG1-CB 4.09Å
720	L	87.3	Confident	80.3	Confident	9 Å²	9	67.2 Å²	67.2	5%	0.047	34%	0.343	C	S	.	.	H	α-helix	trans	-60.6	-41.2	179.6	-175.8	62.4	0	0	0	112.9	I673 V716 W717 W742 A746 F749	I673-L720 HydrophobicContact CD1-CD2 3.53Å; I673-L720 HydrophobicContact CG1-CD2 4.01Å; V716-L720 WeakPolarHBondContact O-CB 3.26Å; V716-L720 PolarHBondContact O-N 2.82Å; W717-L720 HydrophobicContact CE3-CD2 4.16Å; W717-L720 HydrophobicContact CZ3-CD2 4.15Å; W717-L720 PolarHBondContact O-N 2.69Å; L720-W742 HydrophobicContact CB-CZ2 4.25Å; L720-W742 HydrophobicContact CD1-CZ2 4.16Å; L720-W742 HydrophobicContact CD2-CZ2 4.49Å; L720-A746 HydrophobicContact CD1-CB 4.28Å; L720-F749 HydrophobicContact CD1-CD1 3.87Å; L720-F749 HydrophobicContact CD1-CE1 4.33Å
721	F	86.3	Confident	80.3	Confident	146 Å²	146	70.8 Å²	70.8	64%	0.64	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	8.7	177.5	-68.7	-52.7	0	0	0	114.2	W717 V719 A723	W717-F721 AromaticContact CE3-CD2 3.96Å; W717-F721 HydrophobicContact CE3-CD2 3.96Å; W717-F721 AromaticContact CE3-CE2 3.37Å; W717-F721 HydrophobicContact CE3-CE2 3.37Å; W717-F721 HydrophobicContact CE3-CZ 4.06Å; W717-F721 HydrophobicContact CZ3-CD2 4.45Å; W717-F721 AromaticContact CZ3-CE2 3.49Å; W717-F721 HydrophobicContact CZ3-CE2 3.49Å; W717-F721 VanDerWaalsContact CZ3-CE2 3.49Å; W717-F721 AromaticContact CZ3-CZ 3.71Å; W717-F721 HydrophobicContact CZ3-CZ 3.71Å; W717-F721 PolarHBondContact O-N 3.01Å; W717-F721 VanDerWaalsContact O-N 3.12Å; V719-F721 VanDerWaalsContact C-N 3.35Å; V719-F721 PolarHBondContact O-N 3.39Å; F721-A723 PolarHBondContact O-N 3.06Å
722	Q	84.1	Confident	80.4	Confident	105 Å²	105	66 Å²	66	49%	0.491	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	29.3	-175.5	-56.3	-174.1	-0.9	0	0	114	A718 V719 A724 L750	A718-Q722 PolarHBondContact O-N 3.43Å; A718-Q722 VanDerWaalsContact O-N 3.13Å; V719-Q722 PolarHBondContact O-N 3.42Å; Q722-A724 PolarHBondContact O-N 2.83Å; Q722-L750 VanDerWaalsContact CD-CD2 3.49Å; Q722-L750 HydrophobicContact CG-CD2 4.14Å
723	A	82.8	Confident	80.4	Confident	45 Å²	45	74 Å²	74	37%	0.372	37%	0.371	S	S	.	.			trans	-74.1	126.5	-172.2	0	0	0	0	0	110.9	A718 F721 V725	A718-A723 PolarHBondContact O-N 2.87Å; F721-A723 PolarHBondContact O-N 3.06Å; A723-V725 HydrophobicContact CB-CG2 4.13Å; A723-V725 PolarHBondContact O-N 2.9Å
724	A	74.4	Confident	80.3	Confident	105 Å²	105	73.7 Å²	73.7	87%	0.868	38%	0.377	S	S	*	.			trans	-72.3	41.6	-179.5	0	0	0	0	0	114.2	Q722	Q722-A724 PolarHBondContact O-N 2.83Å
725	V	75.4	Confident	80.2	Confident	69 Å²	69	66.4 Å²	66.4	42%	0.418	35%	0.349	S	S	.	.			trans	-81.6	144.4	176.4	-177.8	0	0	0	0	109.4	W714 A723 V727	W714-V725 HydrophobicContact CZ2-CG1 4.47Å; A723-V725 HydrophobicContact CB-CG2 4.13Å; A723-V725 PolarHBondContact O-N 2.9Å; V725-V727 HydrophobicContact CB-CG2 4.48Å; V725-V727 PolarHBondContact O-N 2.99Å
726	H	67.5	Low	80.3	Confident	192 Å²	192	72.4 Å²	72.4	89%	0.889	37%	0.371	S	S	*	.			trans	-71.5	98.7	176.9	-69.3	63.6	0	0	0	110.2
727	V	70.8	Confident	80.2	Confident	47 Å²	47	78.8 Å²	78.8	29%	0.285	40%	0.399	S	S	.	.			trans	-106.2	132.2	-177.6	175.2	0	0	0	0	111.1	L715 A718 V725 S729	L715-V727 HydrophobicContact CB-CG1 3.67Å; L715-V727 HydrophobicContact CD1-CG1 3.73Å; L715-V727 HydrophobicContact CG-CG1 3.7Å; A718-V727 HydrophobicContact CB-CG2 3.93Å; V725-V727 HydrophobicContact CB-CG2 4.48Å; V725-V727 PolarHBondContact O-N 2.99Å; V727-S729 PolarHBondContact O-N 2.83Å
728	D	69.9	Low	80.3	Confident	47 Å²	47	77.7 Å²	77.7	25%	0.251	40%	0.398	S	S	.	.			trans	-69.6	114.9	173.7	-74.6	-29.9	0	0	0	110.3	R706 F707 R711	R706-D728 IonicContact CZ-OD1 3.72Å; R706-D728 VanDerWaalsContact CZ-OD1 3.25Å; R706-D728 IonicContact CZ-OD2 2.69Å; R706-D728 VanDerWaalsContact NE-CG 3.31Å; R706-D728 IonicContact NE-OD1 2.74Å; R706-D728 PolarHBondContact NE-OD1 3.48Å; R706-D728 VanDerWaalsContact NE-OD1 3.16Å; R706-D728 IonicContact NE-OD2 3.8Å; R706-D728 PolarHBondContact NE-OD2 3.16Å; R706-D728 IonicContact NH2-OD1 3.02Å; R706-D728 PolarHBondContact NH2-OD1 3.02Å; R706-D728 IonicContact NH2-OD2 2.66Å; R706-D728 PolarHBondContact NH2-OD2 2.64Å; F707-D728 WeakPolarHBondContact CE2-O 3.28Å; R711-D728 IonicContact NH1-OD2 3.25Å; R711-D728 PolarHBondContact NH1-OD2 2.98Å
729	S	72.4	Confident	80.3	Confident	88 Å²	88	78 Å²	78	62%	0.615	40%	0.399	S	S	*	.			trans	-72.7	144.3	178.6	-37.1	0	0	0	0	112.2	V727	V727-S729 PolarHBondContact O-N 2.83Å
730	P	77.9	Confident	80.3	Confident	3 Å²	3	81.6 Å²	81.6	2%	0.019	42%	0.417	C	S	.	.			trans	-62.2	159.1	175.3	23.2	-31.8	0	0	0	113.1	E684 F707 S735 R736	E684-P730 WeakPolarHBondContact OE2-CB 3.44Å; F707-P730 HydrophobicContact CE2-CB 4.35Å; F707-P730 HydrophobicContact CZ-CB 4.05Å; P730-S735 WeakPolarHBondContact CB-OG 3.49Å; P730-R736 HydrophobicContact CG-CG 4.08Å; P730-R736 PolarHBondContact O-NE 3.11Å; P730-R736 PolarHBondContact O-NH2 2.82Å
731	R	74.2	Confident	80.5	Confident	176 Å²	176	84.4 Å²	84.4	66%	0.664	43%	0.434	S	S	*	.			trans	-97.6	-32.9	178.3	-74.4	-177.9	167.9	169.9	-3.8	113.1	E684 F733	E684-R731 PolarHBondContact OE1-N 2.99Å; R731-F733 PolarHBondContact O-N 3.11Å
732	G	78.8	Confident	80.7	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	41%	0.407	C	S	.	.	S	Bend	trans	-63.5	133.1	178.4	0	0	0	0	0	111.8	E684 T734 S735 R736	E684-G732 PolarHBondContact OE1-N 3.19Å; E684-G732 PolarHBondContact OE2-N 2.88Å; G732-T734 VanDerWaalsContact C-N 3.34Å; G732-T734 PolarHBondContact O-N 3.42Å; G732-S735 WeakPolarHBondContact O-CB 3.42Å; G732-S735 PolarHBondContact O-N 3.06Å; G732-S735 VanDerWaalsContact O-N 3.16Å; G732-R736 PolarHBondContact O-N 3.03Å
733	F	81.3	Confident	80.9	Confident	168 Å²	168	74.9 Å²	74.9	74%	0.737	40%	0.396	S	S	*	.	H	α-helix	trans	-60.8	-43.2	178.7	179.5	-95.1	0	0	0	112	R731 S735 R736 F737	R731-F733 PolarHBondContact O-N 3.11Å; F733-S735 VanDerWaalsContact C-N 3.35Å; F733-S735 PolarHBondContact O-N 3.41Å; F733-R736 PolarHBondContact O-N 2.95Å; F733-F737 PolarHBondContact O-N 2.96Å
734	T	85.1	Confident	81.3	Confident	68 Å²	68	78.2 Å²	78.2	42%	0.417	41%	0.407	S	S	.	.	H	α-helix	trans	-61.5	-40.4	173	46.1	0	0	0	0	112.5	G732 F737 M738	G732-T734 VanDerWaalsContact C-N 3.34Å; G732-T734 PolarHBondContact O-N 3.42Å; T734-F737 PolarHBondContact O-N 3.06Å; T734-M738 WeakPolarHBondContact O-CB 3.46Å; T734-M738 PolarHBondContact O-N 2.86Å
735	S	82.3	Confident	82	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-67.8	-38.9	178.4	-175.1	0	0	0	0	112.2	E684 P730 G732 F733 M738 T739	E684-S735 WeakPolarHBondContact OE2-CB 3.23Å; E684-S735 PolarHBondContact OE2-OG 3.38Å; P730-S735 WeakPolarHBondContact CB-OG 3.49Å; G732-S735 WeakPolarHBondContact O-CB 3.42Å; G732-S735 PolarHBondContact O-N 3.06Å; G732-S735 VanDerWaalsContact O-N 3.16Å; F733-S735 VanDerWaalsContact C-N 3.35Å; F733-S735 PolarHBondContact O-N 3.41Å; S735-M738 PolarHBondContact O-N 2.75Å; S735-T739 WeakPolarHBondContact O-CB 3.23Å; S735-T739 PolarHBondContact O-N 3.36Å; S735-T739 PolarHBondContact O-OG1 3.19Å
736	R	85.8	Confident	82.7	Confident	130 Å²	130	73.9 Å²	73.9	49%	0.491	36%	0.364	S	S	.	.	H	α-helix	trans	-63.2	-45.9	169.1	-72.7	-180	175.4	-156.4	-6.4	112.3	P730 G732 F733 M738 T739 N740	P730-R736 HydrophobicContact CG-CG 4.08Å; P730-R736 PolarHBondContact O-NE 3.11Å; P730-R736 PolarHBondContact O-NH2 2.82Å; G732-R736 PolarHBondContact O-N 3.03Å; F733-R736 PolarHBondContact O-N 2.95Å; R736-M738 PolarHBondContact O-N 2.64Å; R736-T739 WeakPolarHBondContact O-CB 3.33Å; R736-T739 PolarHBondContact O-N 3.44Å; R736-N740 PolarHBondContact O-N 3.44Å; R736-N740 PolarHBondContact O-OD1 3.07Å
737	F	87.3	Confident	83.7	Confident	134 Å²	134	68.4 Å²	68.4	59%	0.588	34%	0.343	S	S	*	.	H	α-helix	trans	-60.1	-46	176	-177.6	-97.7	0	0	0	111.5	F733 T734 T739 N740 V741	F733-F737 PolarHBondContact O-N 2.96Å; T734-F737 PolarHBondContact O-N 3.06Å; F737-T739 VanDerWaalsContact C-N 3.31Å; F737-T739 PolarHBondContact O-N 2.93Å; F737-N740 PolarHBondContact O-N 2.72Å; F737-N740 VanDerWaalsContact O-N 3.14Å; F737-V741 HydrophobicContact CD1-CG2 4.25Å; F737-V741 HydrophobicContact CE1-CG2 3.86Å; F737-V741 HydrophobicContact CZ-CG2 4.11Å; F737-V741 WeakPolarHBondContact O-CG2 3.47Å; F737-V741 PolarHBondContact O-N 2.85Å
738	M	88.3	Confident	84.7	Confident	52 Å²	52	69.5 Å²	69.5	26%	0.256	35%	0.35	S	S	.	.	H	α-helix	trans	-61.9	-37	175.3	-167	67.5	-174.8	0	0	112.4	M679 I680 F683 T734 S735 R736 V741 W742	M679-M738 HydrophobicContact CB-CE 3.96Å; I680-M738 HydrophobicContact CG1-CB 4.21Å; I680-M738 HydrophobicContact CG1-CG 3.76Å; F683-M738 HydrophobicContact CD2-CB 4.48Å; F683-M738 HydrophobicContact CD2-CG 4.36Å; F683-M738 HydrophobicContact CE2-SD 4.41Å; T734-M738 WeakPolarHBondContact O-CB 3.46Å; T734-M738 PolarHBondContact O-N 2.86Å; S735-M738 PolarHBondContact O-N 2.75Å; R736-M738 PolarHBondContact O-N 2.64Å; M738-V741 PolarHBondContact O-N 3.32Å; M738-W742 PolarHBondContact O-N 3.11Å
739	T	86.8	Confident	85.6	Confident	18 Å²	18	68.9 Å²	68.9	11%	0.11	35%	0.346	C	S	.	.	H	α-helix	trans	-65.4	-39.3	173.9	-58.3	0	0	0	0	111.6	L715 S735 R736 F737 W742 A743	L715-T739 HydrophobicContact CD2-CG2 4.08Å; S735-T739 WeakPolarHBondContact O-CB 3.23Å; S735-T739 PolarHBondContact O-N 3.36Å; S735-T739 PolarHBondContact O-OG1 3.19Å; R736-T739 WeakPolarHBondContact O-CB 3.33Å; R736-T739 PolarHBondContact O-N 3.44Å; F737-T739 VanDerWaalsContact C-N 3.31Å; F737-T739 PolarHBondContact O-N 2.93Å; T739-W742 PolarHBondContact O-N 3.42Å; T739-A743 WeakPolarHBondContact O-CB 3.41Å; T739-A743 PolarHBondContact O-N 2.92Å
740	N	88.3	Confident	86.4	Confident	111 Å²	111	67.4 Å²	67.4	59%	0.594	33%	0.33	S	S	*	.	H	α-helix	trans	-68.4	-36.5	175.3	-67.9	-1.8	0	0	0	112	R736 F737 A743 L744	R736-N740 PolarHBondContact O-N 3.44Å; R736-N740 PolarHBondContact O-OD1 3.07Å; F737-N740 PolarHBondContact O-N 2.72Å; F737-N740 VanDerWaalsContact O-N 3.14Å; N740-A743 PolarHBondContact O-N 3.25Å; N740-L744 PolarHBondContact O-N 3.47Å
741	V	90.7	Very high	87	Confident	68 Å²	68	69.5 Å²	69.5	41%	0.412	35%	0.348	S	S	.	.	H	α-helix	trans	-65.2	-41.5	172.6	172.2	0	0	0	0	111	F737 M738 L744 F745	F737-V741 HydrophobicContact CD1-CG2 4.25Å; F737-V741 HydrophobicContact CE1-CG2 3.86Å; F737-V741 HydrophobicContact CZ-CG2 4.11Å; F737-V741 WeakPolarHBondContact O-CG2 3.47Å; F737-V741 PolarHBondContact O-N 2.85Å; M738-V741 PolarHBondContact O-N 3.32Å; V741-L744 PolarHBondContact O-N 2.66Å; V741-F745 PolarHBondContact O-N 3.25Å
742	W	90.7	Very high	87.8	Confident	19 Å²	19	64.9 Å²	64.9	7%	0.072	34%	0.335	C	S	.	.	H	α-helix	trans	-64.1	-39.4	172.4	179.7	-109.3	0	0	0	112.4	A672 I673 A676 V716 L720 M738 T739 F745 A746	A672-W742 HydrophobicContact CB-CH2 4.3Å; A672-W742 HydrophobicContact CB-CZ3 4.21Å; I673-W742 HydrophobicContact CG1-CH2 4.04Å; I673-W742 HydrophobicContact CG1-CZ2 4.16Å; A676-W742 HydrophobicContact CB-CD2 3.76Å; A676-W742 HydrophobicContact CB-CE3 3.48Å; A676-W742 VanDerWaalsContact CB-CE3 3.48Å; A676-W742 HydrophobicContact CB-CG 4.39Å; A676-W742 HydrophobicContact CB-CH2 4.24Å; A676-W742 HydrophobicContact CB-CZ2 4.49Å; A676-W742 HydrophobicContact CB-CZ3 3.73Å; V716-W742 HydrophobicContact CG1-CH2 4.49Å; V716-W742 HydrophobicContact CG1-CZ2 3.64Å; V716-W742 PolarHBondContact O-NE1 3.16Å; L720-W742 HydrophobicContact CB-CZ2 4.25Å; L720-W742 HydrophobicContact CD1-CZ2 4.16Å; L720-W742 HydrophobicContact CD2-CZ2 4.49Å; M738-W742 PolarHBondContact O-N 3.11Å; T739-W742 PolarHBondContact O-N 3.42Å; W742-F745 HydrophobicContact CD2-CD1 4.48Å; W742-F745 AromaticContact CE3-CD1 3.73Å; W742-F745 HydrophobicContact CE3-CD1 3.73Å; W742-F745 HydrophobicContact CE3-CE1 4.39Å; W742-F745 HydrophobicContact CE3-CG 4.47Å; W742-F745 AromaticContact CH2-CD1 3.89Å; W742-F745 HydrophobicContact CH2-CD1 3.89Å; W742-F745 AromaticContact CH2-CE1 3.82Å; W742-F745 HydrophobicContact CH2-CE1 3.82Å; W742-F745 AromaticContact CZ3-CD1 3.4Å; W742-F745 HydrophobicContact CZ3-CD1 3.4Å; W742-F745 AromaticContact CZ3-CE1 3.61Å; W742-F745 HydrophobicContact CZ3-CE1 3.61Å; W742-F745 HydrophobicContact CZ3-CG 4.41Å; W742-F745 PolarHBondContact O-N 2.94Å; W742-A746 WeakPolarHBondContact O-CB 3.44Å; W742-A746 PolarHBondContact O-N 2.86Å
743	A	88.9	Confident	88.4	Confident	32 Å²	32	67.1 Å²	67.1	26%	0.264	34%	0.344	S	S	.	.	H	α-helix	trans	-64.4	-41.2	175.5	0	0	0	0	0	112.3	V719 T739 N740 A746 V747	V719-A743 HydrophobicContact CG1-CB 3.8Å; T739-A743 WeakPolarHBondContact O-CB 3.41Å; T739-A743 PolarHBondContact O-N 2.92Å; N740-A743 PolarHBondContact O-N 3.25Å; A743-A746 PolarHBondContact O-N 3.36Å; A743-V747 WeakPolarHBondContact O-CG2 3.41Å; A743-V747 PolarHBondContact O-N 3.44Å
744	L	90.2	Very high	88.7	Confident	115 Å²	115	62.6 Å²	62.6	60%	0.602	33%	0.331	S	S	*	.	H	α-helix	trans	-61.6	-44.9	173.1	-178.8	62.2	0	0	0	111.3	N740 V741 A746 V747 V748	N740-L744 PolarHBondContact O-N 3.47Å; V741-L744 PolarHBondContact O-N 2.66Å; L744-A746 PolarHBondContact O-N 2.79Å; L744-V747 PolarHBondContact O-N 3.37Å; L744-V748 HydrophobicContact CD1-CG2 4.4Å; L744-V748 WeakPolarHBondContact O-CG2 3.43Å; L744-V748 PolarHBondContact O-N 3.44Å
745	F	90	Very high	88.9	Confident	82 Å²	82	62 Å²	62	36%	0.36	33%	0.333	S	S	.	.	H	α-helix	trans	-59.9	-43.4	173.9	173.6	-97.9	0	0	0	112.2	V741 W742 V748 F749	V741-F745 PolarHBondContact O-N 3.25Å; W742-F745 HydrophobicContact CD2-CD1 4.48Å; W742-F745 AromaticContact CE3-CD1 3.73Å; W742-F745 HydrophobicContact CE3-CD1 3.73Å; W742-F745 HydrophobicContact CE3-CE1 4.39Å; W742-F745 HydrophobicContact CE3-CG 4.47Å; W742-F745 AromaticContact CH2-CD1 3.89Å; W742-F745 HydrophobicContact CH2-CD1 3.89Å; W742-F745 AromaticContact CH2-CE1 3.82Å; W742-F745 HydrophobicContact CH2-CE1 3.82Å; W742-F745 AromaticContact CZ3-CD1 3.4Å; W742-F745 HydrophobicContact CZ3-CD1 3.4Å; W742-F745 AromaticContact CZ3-CE1 3.61Å; W742-F745 HydrophobicContact CZ3-CE1 3.61Å; W742-F745 HydrophobicContact CZ3-CG 4.41Å; W742-F745 PolarHBondContact O-N 2.94Å; F745-V748 PolarHBondContact O-N 3.12Å; F745-F749 VanDerWaalsContact O-CB 3.24Å; F745-F749 WeakPolarHBondContact O-CB 3.08Å; F745-F749 PolarHBondContact O-N 2.96Å
746	A	88.9	Confident	89.2	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.008	35%	0.349	C	S	.	.	H	α-helix	trans	-63.2	-42.9	178	0	0	0	0	0	112.9	V719 L720 W742 A743 L744 F749 L750	V719-A746 HydrophobicContact CG1-CB 4.09Å; L720-A746 HydrophobicContact CD1-CB 4.28Å; W742-A746 WeakPolarHBondContact O-CB 3.44Å; W742-A746 PolarHBondContact O-N 2.86Å; A743-A746 PolarHBondContact O-N 3.36Å; L744-A746 PolarHBondContact O-N 2.79Å; A746-F749 PolarHBondContact O-N 3.3Å; A746-L750 WeakPolarHBondContact O-CB 3.34Å; A746-L750 PolarHBondContact O-N 3.14Å
747	V	90	Very high	89.1	Confident	77 Å²	77	60.9 Å²	60.9	47%	0.467	34%	0.336	S	S	.	.	H	α-helix	trans	-62.8	-46.9	175.2	172.1	0	0	0	0	110.8	A743 L744 L750 A751	A743-V747 WeakPolarHBondContact O-CG2 3.41Å; A743-V747 PolarHBondContact O-N 3.44Å; L744-V747 PolarHBondContact O-N 3.37Å; V747-L750 PolarHBondContact O-N 2.94Å; V747-A751 WeakPolarHBondContact O-CB 3.27Å; V747-A751 PolarHBondContact O-N 3.37Å
748	V	91.4	Very high	88.7	Confident	71 Å²	71	56.6 Å²	56.6	43%	0.43	33%	0.326	S	S	.	.	H	α-helix	trans	-65.1	-41.2	178.3	171.5	0	0	0	0	111.6	L744 F745 A751 I752	L744-V748 HydrophobicContact CD1-CG2 4.4Å; L744-V748 WeakPolarHBondContact O-CG2 3.43Å; L744-V748 PolarHBondContact O-N 3.44Å; F745-V748 PolarHBondContact O-N 3.12Å; V748-A751 PolarHBondContact O-N 3.38Å; V748-I752 HydrophobicContact CG1-CD1 3.76Å; V748-I752 HydrophobicContact CG1-CG1 4.46Å; V748-I752 VanDerWaalsContact O-CG1 3.31Å; V748-I752 WeakPolarHBondContact O-CG1 3.48Å; V748-I752 PolarHBondContact O-N 2.85Å
749	F	89.1	Confident	88.4	Confident	34 Å²	34	56.9 Å²	56.9	15%	0.149	34%	0.336	C	S	.	.	H	α-helix	trans	-61.7	-45.4	175.9	173.7	-104.1	0	0	0	111.8	F660 W665 V668 L720 F745 A746 I752 Y753	F660-F749 HydrophobicContact CD2-CE2 4.09Å; F660-F749 HydrophobicContact CD2-CZ 4.3Å; F660-F749 HydrophobicContact CE2-CD2 4.12Å; F660-F749 AromaticContact CE2-CE2 3.32Å; F660-F749 HydrophobicContact CE2-CE2 3.32Å; F660-F749 AromaticContact CE2-CZ 3.7Å; F660-F749 HydrophobicContact CE2-CZ 3.7Å; F660-F749 HydrophobicContact CZ-CD2 4.15Å; F660-F749 AromaticContact CZ-CE2 3.74Å; F660-F749 HydrophobicContact CZ-CE2 3.74Å; W665-F749 HydrophobicContact CZ3-CZ 4.33Å; V668-F749 HydrophobicContact CG1-CE2 4.35Å; V668-F749 HydrophobicContact CG1-CZ 4.21Å; V668-F749 HydrophobicContact CG2-CD2 4.3Å; V668-F749 HydrophobicContact CG2-CE2 3.84Å; V668-F749 HydrophobicContact CG2-CZ 4.41Å; L720-F749 HydrophobicContact CD1-CD1 3.87Å; L720-F749 HydrophobicContact CD1-CE1 4.33Å; F745-F749 VanDerWaalsContact O-CB 3.24Å; F745-F749 WeakPolarHBondContact O-CB 3.08Å; F745-F749 PolarHBondContact O-N 2.96Å; A746-F749 PolarHBondContact O-N 3.3Å; F749-I752 PolarHBondContact O-N 3.14Å; F749-Y753 WeakPolarHBondContact O-CB 3.5Å; F749-Y753 PolarHBondContact O-N 2.04Å
750	L	87.8	Confident	87.8	Confident	57 Å²	57	58.4 Å²	58.4	30%	0.298	34%	0.341	S	S	.	.	H	α-helix	trans	-64	-41.8	176.9	-173.4	65.9	0	0	0	111.6	Q722 A746 V747 Y753 T754	Q722-L750 VanDerWaalsContact CD-CD2 3.49Å; Q722-L750 HydrophobicContact CG-CD2 4.14Å; A746-L750 WeakPolarHBondContact O-CB 3.34Å; A746-L750 PolarHBondContact O-N 3.14Å; V747-L750 PolarHBondContact O-N 2.94Å; L750-Y753 PolarHBondContact O-N 3.25Å; L750-T754 WeakPolarHBondContact O-CG2 3.43Å; L750-T754 PolarHBondContact O-N 2.77Å; L750-T754 PolarHBondContact O-OG1 3.02Å
751	A	90.6	Very high	87.1	Confident	47 Å²	47	56.8 Å²	56.8	39%	0.388	33%	0.331	S	S	.	.	H	α-helix	trans	-64.7	-38.1	177.6	0	0	0	0	0	112.9	V747 V748 T754 A755	V747-A751 WeakPolarHBondContact O-CB 3.27Å; V747-A751 PolarHBondContact O-N 3.37Å; V748-A751 PolarHBondContact O-N 3.38Å; A751-T754 PolarHBondContact O-OG1 2.96Å; A751-A755 WeakPolarHBondContact O-CB 3.21Å; A751-A755 PolarHBondContact O-N 2.84Å
752	I	91.9	Very high	86.1	Confident	78 Å²	78	58.8 Å²	58.8	40%	0.4	34%	0.338	S	S	.	.	H	α-helix	trans	-68.7	-40.4	173.8	-67.5	165.6	0	0	0	110.6	F660 V748 F749 A755 N756	F660-I752 HydrophobicContact CE1-CG2 3.91Å; F660-I752 HydrophobicContact CZ-CG2 3.89Å; V748-I752 HydrophobicContact CG1-CD1 3.76Å; V748-I752 HydrophobicContact CG1-CG1 4.46Å; V748-I752 VanDerWaalsContact O-CG1 3.31Å; V748-I752 WeakPolarHBondContact O-CG1 3.48Å; V748-I752 PolarHBondContact O-N 2.85Å; F749-I752 PolarHBondContact O-N 3.14Å; I752-A755 PolarHBondContact O-N 2.92Å; I752-N756 WeakPolarHBondContact O-CB 3.26Å; I752-N756 VanDerWaalsContact O-CG 3.31Å; I752-N756 PolarHBondContact O-N 2.99Å; I752-N756 PolarHBondContact O-OD1 2.89Å
753	Y	90.4	Very high	84.5	Confident	47 Å²	47	62.3 Å²	62.3	18%	0.184	36%	0.362	C	S	.	.	H	α-helix	trans	-60.7	-48.4	175.6	174.7	-101.6	0	0	0	111.9	F656 P659 F660 W665 F749 L750 N756 L757	F656-Y753 PolarHBondContact O-OH 2.81Å; P659-Y753 HydrophobicContact CB-CD2 4.4Å; P659-Y753 HydrophobicContact CB-CE2 4.42Å; P659-Y753 HydrophobicContact CG-CE2 4.39Å; F660-Y753 HydrophobicContact CD2-CD2 4.09Å; F660-Y753 AromaticContact CE2-CD2 3.91Å; F660-Y753 HydrophobicContact CE2-CD2 3.91Å; F660-Y753 HydrophobicContact CE2-CG 4.37Å; W665-Y753 HydrophobicContact CH2-CD2 4.3Å; W665-Y753 HydrophobicContact CH2-CE2 4.09Å; W665-Y753 HydrophobicContact CZ2-CD2 4.43Å; W665-Y753 HydrophobicContact CZ2-CE2 4.09Å; F749-Y753 WeakPolarHBondContact O-CB 3.5Å; F749-Y753 PolarHBondContact O-N 2.04Å; L750-Y753 PolarHBondContact O-N 3.25Å; Y753-N756 PolarHBondContact O-N 2.86Å; Y753-L757 HydrophobicContact CE1-CD2 4.16Å; Y753-L757 VanDerWaalsContact O-CB 3.24Å; Y753-L757 WeakPolarHBondContact O-CB 3.28Å; Y753-L757 PolarHBondContact O-N 3.44Å
754	T	89.1	Confident	83.3	Confident	74 Å²	74	67.5 Å²	67.5	45%	0.454	38%	0.375	S	S	.	.	H	α-helix	trans	-67.8	-38	179.2	54.2	0	0	0	0	112.2	L750 A751 A758	L750-T754 WeakPolarHBondContact O-CG2 3.43Å; L750-T754 PolarHBondContact O-N 2.77Å; L750-T754 PolarHBondContact O-OG1 3.02Å; A751-T754 PolarHBondContact O-OG1 2.96Å; T754-A758 VanDerWaalsContact O-CB 3.29Å; T754-A758 WeakPolarHBondContact O-CB 3.5Å; T754-A758 PolarHBondContact O-N 2.87Å
755	A	89.1	Confident	82.2	Confident	56 Å²	56	67 Å²	67	46%	0.463	37%	0.369	S	S	.	.	H	α-helix	trans	-64.2	-46.4	174.8	0	0	0	0	0	112.5	A751 I752 A758 A759	A751-A755 WeakPolarHBondContact O-CB 3.21Å; A751-A755 PolarHBondContact O-N 2.84Å; I752-A755 PolarHBondContact O-N 2.92Å; A755-A758 PolarHBondContact O-N 3.06Å; A755-A759 WeakPolarHBondContact O-CB 3.26Å; A755-A759 PolarHBondContact O-N 3.13Å
756	N	88.4	Confident	81.4	Confident	65 Å²	65	67.2 Å²	67.2	35%	0.348	37%	0.371	S	S	.	.	H	α-helix	trans	-65.2	-41.9	177.6	-74.7	5.2	0	0	0	111.8	P659 I752 Y753 A759 F760	P659-N756 HydrophobicContact CB-CB 3.86Å; P659-N756 PolarHBondContact O-ND2 2.85Å; I752-N756 WeakPolarHBondContact O-CB 3.26Å; I752-N756 VanDerWaalsContact O-CG 3.31Å; I752-N756 PolarHBondContact O-N 2.99Å; I752-N756 PolarHBondContact O-OD1 2.89Å; Y753-N756 PolarHBondContact O-N 2.86Å; N756-A759 PolarHBondContact O-N 3.34Å; N756-F760 WeakPolarHBondContact O-CB 3.35Å; N756-F760 PolarHBondContact O-N 3.13Å
757	L	82.9	Confident	81	Confident	41 Å²	41	71 Å²	71	22%	0.215	39%	0.388	C	S	.	.	H	α-helix	trans	-62.2	-45.5	176.4	-179.9	63.5	0	0	0	111.3	P659 Y753 F760 M761	P659-L757 HydrophobicContact CG-CB 3.96Å; P659-L757 HydrophobicContact CG-CD1 3.84Å; Y753-L757 HydrophobicContact CE1-CD2 4.16Å; Y753-L757 VanDerWaalsContact O-CB 3.24Å; Y753-L757 WeakPolarHBondContact O-CB 3.28Å; Y753-L757 PolarHBondContact O-N 3.44Å; L757-F760 PolarHBondContact O-N 3.44Å; L757-M761 HydrophobicContact CD1-CG 4.45Å; L757-M761 HydrophobicContact CD1-SD 3.95Å; L757-M761 HydrophobicContact CG-SD 3.82Å; L757-M761 WeakPolarHBondContact O-CB 3.29Å; L757-M761 VanDerWaalsContact O-CG 3.29Å; L757-M761 WeakPolarHBondContact O-CG 3.38Å; L757-M761 PolarHBondContact O-N 2.92Å
758	A	79.4	Confident	80.7	Confident	44 Å²	44	69.3 Å²	69.3	36%	0.364	38%	0.375	S	S	.	.	H	α-helix	trans	-62.2	-47.3	176	0	0	0	0	0	112	T754 A755 F760 M761 I762	T754-A758 VanDerWaalsContact O-CB 3.29Å; T754-A758 WeakPolarHBondContact O-CB 3.5Å; T754-A758 PolarHBondContact O-N 2.87Å; A755-A758 PolarHBondContact O-N 3.06Å; A758-F760 VanDerWaalsContact C-N 3.3Å; A758-F760 PolarHBondContact O-N 3.44Å; A758-M761 PolarHBondContact O-N 2.91Å; A758-I762 WeakPolarHBondContact O-CD1 3.41Å; A758-I762 VanDerWaalsContact O-CG1 3.23Å; A758-I762 WeakPolarHBondContact O-CG1 3.49Å; A758-I762 PolarHBondContact O-N 3.27Å; A758-I762 VanDerWaalsContact O-N 3.14Å
759	A	80.9	Confident	80.4	Confident	57 Å²	57	72.8 Å²	72.8	47%	0.471	39%	0.387	S	S	.	.	H	α-helix	trans	-60.2	-38.7	178	0	0	0	0	0	112.7	A755 N756 T763	A755-A759 WeakPolarHBondContact O-CB 3.26Å; A755-A759 PolarHBondContact O-N 3.13Å; N756-A759 PolarHBondContact O-N 3.34Å; A759-T763 PolarHBondContact O-OG1 2.99Å
760	F	74.4	Confident	80.5	Confident	50 Å²	50	71.3 Å²	71.3	22%	0.219	38%	0.38	C	S	.	.	H	α-helix	trans	-66	-42.9	174.5	-175.6	-88.7	0	0	0	112.3	A655 E658 N756 L757 A758 I762 T763 R764	A655-F760 HydrophobicContact CB-CE1 4.22Å; E658-F760 HydrophobicContact CB-CE2 4.39Å; E658-F760 HydrophobicContact CB-CZ 4.38Å; E658-F760 VanDerWaalsContact OE2-CZ 3.28Å; E658-F760 WeakPolarHBondContact OE2-CZ 3.48Å; N756-F760 WeakPolarHBondContact O-CB 3.35Å; N756-F760 PolarHBondContact O-N 3.13Å; L757-F760 PolarHBondContact O-N 3.44Å; A758-F760 VanDerWaalsContact C-N 3.3Å; A758-F760 PolarHBondContact O-N 3.44Å; F760-I762 VanDerWaalsContact C-N 3.32Å; F760-I762 PolarHBondContact O-N 3.38Å; F760-T763 PolarHBondContact O-OG1 3.41Å; F760-R764 VanDerWaalsContact CE2-NH2 3.33Å
761	M	73.6	Confident	80.5	Confident	78 Å²	78	72.6 Å²	72.6	38%	0.384	39%	0.394	S	S	.	.	H	α-helix	trans	-68.1	-25.4	-178.9	-76.6	168.5	42.4	0	0	114.2	L757 A758 T763 L919	L757-M761 HydrophobicContact CD1-CG 4.45Å; L757-M761 HydrophobicContact CD1-SD 3.95Å; L757-M761 HydrophobicContact CG-SD 3.82Å; L757-M761 WeakPolarHBondContact O-CB 3.29Å; L757-M761 VanDerWaalsContact O-CG 3.29Å; L757-M761 WeakPolarHBondContact O-CG 3.38Å; L757-M761 PolarHBondContact O-N 2.92Å; A758-M761 PolarHBondContact O-N 2.91Å; M761-T763 VanDerWaalsContact C-N 3.31Å; M761-T763 PolarHBondContact O-N 2.77Å; M761-L919 HydrophobicContact CE-CD1 3.77Å; M761-L919 HydrophobicContact CE-CD2 3.58Å; M761-L919 HydrophobicContact CE-CG 4.34Å; M761-L919 HydrophobicContact SD-CD2 4.34Å
762	I	70.1	Confident	80.5	Confident	109 Å²	109	70.5 Å²	70.5	56%	0.559	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-14.4	-174.4	-75.2	162.6	0	0	0	113.7	A758 F760	A758-I762 WeakPolarHBondContact O-CD1 3.41Å; A758-I762 VanDerWaalsContact O-CG1 3.23Å; A758-I762 WeakPolarHBondContact O-CG1 3.49Å; A758-I762 PolarHBondContact O-N 3.27Å; A758-I762 VanDerWaalsContact O-N 3.14Å; F760-I762 VanDerWaalsContact C-N 3.32Å; F760-I762 PolarHBondContact O-N 3.38Å
763	T	58.1	Low	80.4	Confident	94 Å²	94	67 Å²	67	58%	0.577	36%	0.359	S	S	*	.			trans	-126	15.5	-152.4	54	0	0	0	0	118	A759 F760 M761	A759-T763 PolarHBondContact O-OG1 2.99Å; F760-T763 PolarHBondContact O-OG1 3.41Å; M761-T763 VanDerWaalsContact C-N 3.31Å; M761-T763 PolarHBondContact O-N 2.77Å
764	R	63.5	Low	80.4	Confident	140 Å²	140	70 Å²	70	53%	0.528	38%	0.378	S	S	.	.			trans	-118.2	86.2	-176.4	-65.5	-159.7	-179.6	-162.1	4.8	116.2	F760	F760-R764 VanDerWaalsContact CE2-NH2 3.33Å
765	E	67.4	Low	80.6	Confident	104 Å²	104	67 Å²	67	49%	0.486	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	132.5	146.4	-63.7	175.8	-158.4	0	0	108.4	K646	K646-E765 VanDerWaalsContact CD-OE2 3.31Å; K646-E765 WeakPolarHBondContact CD-OE2 3.22Å; K646-E765 WeakPolarHBondContact CE-OE2 3.45Å; K646-E765 IonicContact NZ-OE1 3.16Å; K646-E765 IonicContact NZ-OE2 2.87Å; K646-E765 PolarHBondContact NZ-OE2 2.9Å
766	E	71.8	Confident	80.6	Confident	87 Å²	87	67.9 Å²	67.9	41%	0.407	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.2	176.5	-69.9	-171.4	159.3	0	0	110.7	R647 G649	R647-E766 WeakPolarHBondContact CA-O 3.35Å; R647-E766 PolarHBondContact N-O 3.35Å; R647-E766 PolarHBondContact O-N 3.38Å; R647-E766 VanDerWaalsContact O-O 3.09Å; G649-E766 WeakPolarHBondContact CA-OE2 3.41Å
767	F	81.1	Confident	80.6	Confident	80 Å²	80	68 Å²	68	35%	0.351	36%	0.357	S	S	.	.			trans	-147.2	158	178.5	57.4	-90.3	0	0	0	110.9	V644 E769 M856 V858	V644-F767 HydrophobicContact CG2-CB 4.5Å; F767-E769 HydrophobicContact CD2-CB 4.23Å; F767-E769 HydrophobicContact CE2-CB 3.89Å; F767-E769 HydrophobicContact CE2-CG 4.39Å; F767-E769 PolarHBondContact O-N 2.89Å; F767-M856 HydrophobicContact CB-SD 4.1Å; F767-M856 HydrophobicContact CD1-CE 4.3Å; F767-M856 HydrophobicContact CD1-SD 3.87Å; F767-M856 HydrophobicContact CD2-CE 3.77Å; F767-M856 HydrophobicContact CD2-SD 3.89Å; F767-M856 HydrophobicContact CE1-CE 4.15Å; F767-M856 HydrophobicContact CE1-SD 4.26Å; F767-M856 HydrophobicContact CE2-CE 3.6Å; F767-M856 HydrophobicContact CE2-SD 4.28Å; F767-M856 HydrophobicContact CG-CE 4.13Å; F767-M856 HydrophobicContact CG-SD 3.68Å; F767-M856 HydrophobicContact CZ-CE 3.81Å; F767-M856 HydrophobicContact CZ-SD 4.46Å; F767-V858 HydrophobicContact CD2-CG1 4.41Å
768	H	83.8	Confident	81	Confident	43 Å²	43	66 Å²	66	20%	0.199	35%	0.347	C	S	.	.			trans	-78.3	85.9	176.5	-63.3	-46.6	0	0	0	110.2	V644 R647 F770 F788 D834	V644-H768 HydrophobicContact CG1-CB 4.27Å; R647-H768 PolarHBondContact NH1-NE2 3.04Å; H768-F770 HydrophobicContact CB-CD2 4.29Å; H768-F770 HydrophobicContact CB-CE2 3.63Å; H768-F770 HydrophobicContact CB-CZ 4.03Å; H768-F770 VanDerWaalsContact O-CD2 3.28Å; H768-F770 WeakPolarHBondContact O-CD2 3.47Å; H768-F770 PolarHBondContact O-N 3.16Å; H768-F788 AromaticContact CE1-CE1 3.7Å; H768-F788 AromaticContact ND1-CE1 3.74Å; H768-D834 IonicContact NE2-OD1 2.68Å; H768-D834 PolarHBondContact NE2-OD1 2.96Å
769	E	86	Confident	81.6	Confident	144 Å²	144	65.6 Å²	65.6	67%	0.673	34%	0.34	S	S	*	.			trans	-64.3	113.4	171.4	-173.3	178.5	-160	0	0	109.8	F767 R777	F767-E769 HydrophobicContact CD2-CB 4.23Å; F767-E769 HydrophobicContact CE2-CB 3.89Å; F767-E769 HydrophobicContact CE2-CG 4.39Å; F767-E769 PolarHBondContact O-N 2.89Å; E769-R777 PolarHBondContact O-NH2 3.06Å
770	F	89.8	Confident	82.1	Confident	3 Å²	3	68.3 Å²	68.3	1%	0.013	34%	0.343	C	S	.	.			trans	-108.8	140.9	170.4	-65.3	-74.2	0	0	0	109.4	I642 V644 H768 G772 D775 R777 L778 F788 V858 G859	I642-F770 HydrophobicContact CD1-CB 4.36Å; I642-F770 HydrophobicContact CG2-CD2 4.25Å; V644-F770 HydrophobicContact CG1-CD2 4.15Å; V644-F770 HydrophobicContact CG1-CE2 4.02Å; H768-F770 HydrophobicContact CB-CD2 4.29Å; H768-F770 HydrophobicContact CB-CE2 3.63Å; H768-F770 HydrophobicContact CB-CZ 4.03Å; H768-F770 VanDerWaalsContact O-CD2 3.28Å; H768-F770 WeakPolarHBondContact O-CD2 3.47Å; H768-F770 PolarHBondContact O-N 3.16Å; F770-G772 PolarHBondContact O-N 2.89Å; F770-D775 HydrophobicContact CD1-CB 4.44Å; F770-R777 HydrophobicContact CE1-CB 4.48Å; F770-L778 HydrophobicContact CD1-CD1 3.93Å; F770-L778 HydrophobicContact CD1-CD2 4.25Å; F770-L778 HydrophobicContact CD1-CG 3.98Å; F770-L778 HydrophobicContact CE1-CD1 4.36Å; F770-L778 HydrophobicContact CE1-CD2 3.82Å; F770-L778 HydrophobicContact CE1-CG 4Å; F770-L778 HydrophobicContact CG-CD1 4.19Å; F770-L778 HydrophobicContact CZ-CD2 4.09Å; F770-F788 HydrophobicContact CZ-CD1 4.28Å; F770-F788 HydrophobicContact CZ-CG 4.32Å; F770-V858 HydrophobicContact CB-CG2 4.38Å; F770-V858 HydrophobicContact CD2-CG2 4.11Å; F770-G859 WeakPolarHBondContact O-CA 3.49Å; F770-G859 PolarHBondContact O-N 2.98Å
771	S	88.4	Confident	82.8	Confident	84 Å²	84	66 Å²	66	59%	0.587	33%	0.333	S	S	*	.			trans	-71	-20.4	177.6	57	0	0	0	0	113.5	G859 S860	S771-G859 WeakPolarHBondContact O-CA 3.47Å; S771-S860 PolarHBondContact O-N 3Å; S771-S860 VanDerWaalsContact O-N 3.12Å
772	G	90.6	Very high	83.5	Confident	3 Å²	3	69.7 Å²	69.7	3%	0.031	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	145.3	-173.7	-176.1	0	0	0	0	0	110.5	F770 N774 D775	F770-G772 PolarHBondContact O-N 2.89Å; G772-N774 PolarHBondContact O-N 3.18Å; G772-N774 VanDerWaalsContact O-N 3.12Å; G772-D775 WeakPolarHBondContact O-CB 3.46Å; G772-D775 PolarHBondContact O-N 3.42Å; G772-D775 VanDerWaalsContact O-N 3.07Å
773	L	90.8	Very high	84.4	Confident	4 Å²	4	68.2 Å²	68.2	2%	0.021	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-26.6	-175	-161.2	71	0	0	0	114.1	D775 I802 F806 M809 I837 Y862	L773-D775 PolarHBondContact O-N 2.95Å; L773-I802 HydrophobicContact CD1-CD1 4.47Å; L773-I802 HydrophobicContact CD2-CG1 4.29Å; L773-F806 HydrophobicContact CD2-CD2 4.13Å; L773-F806 HydrophobicContact CD2-CE2 3.67Å; L773-F806 HydrophobicContact CD2-CZ 4.34Å; L773-F806 HydrophobicContact CG-CE2 4.3Å; L773-M809 HydrophobicContact CD1-CE 3.73Å; L773-M809 HydrophobicContact CD1-SD 4.28Å; L773-I837 HydrophobicContact CD1-CD1 4.16Å; L773-I837 HydrophobicContact CD1-CG2 3.96Å; L773-Y862 HydrophobicContact CB-CD2 4.1Å; L773-Y862 HydrophobicContact CB-CG 3.93Å; L773-Y862 HydrophobicContact CD2-CD1 3.51Å; L773-Y862 HydrophobicContact CD2-CD2 4.29Å; L773-Y862 HydrophobicContact CD2-CE1 3.98Å; L773-Y862 HydrophobicContact CD2-CG 3.69Å; L773-Y862 HydrophobicContact CG-CG 4.47Å
774	N	90.2	Very high	85.7	Confident	109 Å²	109	67.4 Å²	67.4	58%	0.583	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	3	177.8	-72	-24.3	0	0	0	114.6	G772 S776 F806	G772-N774 PolarHBondContact O-N 3.18Å; G772-N774 VanDerWaalsContact O-N 3.12Å; N774-S776 PolarHBondContact O-N 3.48Å; N774-F806 VanDerWaalsContact OD1-CZ 3.31Å; N774-F806 WeakPolarHBondContact OD1-CZ 3.36Å
775	D	92.2	Very high	86.7	Confident	11 Å²	11	69.8 Å²	69.8	6%	0.059	35%	0.35	C	S	.	.			trans	-60.6	129.6	-179.3	-168.4	-44.7	0	0	0	111.5	F770 G772 L773 R777 L778 V779	F770-D775 HydrophobicContact CD1-CB 4.44Å; G772-D775 WeakPolarHBondContact O-CB 3.46Å; G772-D775 PolarHBondContact O-N 3.42Å; G772-D775 VanDerWaalsContact O-N 3.07Å; L773-D775 PolarHBondContact O-N 2.95Å; D775-R777 PolarHBondContact O-N 3.37Å; D775-R777 WeakPolarHBondContact OD1-CB 3.47Å; D775-R777 WeakPolarHBondContact OD1-CG 3.18Å; D775-R777 PolarHBondContact OD1-N 2.89Å; D775-R777 IonicContact OD1-NE 3.06Å; D775-R777 PolarHBondContact OD1-NE 3.09Å; D775-R777 IonicContact OD2-CZ 3.64Å; D775-R777 IonicContact OD2-NE 3.79Å; D775-R777 PolarHBondContact OD2-NE 3.11Å; D775-R777 IonicContact OD2-NH2 3.53Å; D775-R777 PolarHBondContact OD2-NH2 3.35Å; D775-L778 HydrophobicContact CB-CD1 4.2Å; D775-L778 HydrophobicContact CB-CG 4.29Å; D775-L778 PolarHBondContact O-N 3.24Å; D775-V779 WeakPolarHBondContact O-CG2 3.39Å; D775-V779 PolarHBondContact O-N 3.12Å
776	S	88.7	Confident	87.6	Confident	76 Å²	76	70.1 Å²	70.1	53%	0.531	36%	0.361	S	S	.	.	H	α-helix	trans	-42.4	-37.6	173.4	60.7	0	0	0	0	114.8	N774 H780	N774-S776 PolarHBondContact O-N 3.48Å; S776-H780 WeakPolarHBondContact O-CB 3.2Å; S776-H780 PolarHBondContact O-N 3.34Å
777	R	89.3	Confident	88.3	Confident	66 Å²	66	67.9 Å²	67.9	25%	0.249	36%	0.355	C	S	.	.	H	α-helix	trans	-72.5	-27.7	-178.7	-64.2	174.3	-70.2	170.4	-5.5	113.3	E769 F770 D775 F788	E769-R777 PolarHBondContact O-NH2 3.06Å; F770-R777 HydrophobicContact CE1-CB 4.48Å; D775-R777 PolarHBondContact O-N 3.37Å; D775-R777 WeakPolarHBondContact OD1-CB 3.47Å; D775-R777 WeakPolarHBondContact OD1-CG 3.18Å; D775-R777 PolarHBondContact OD1-N 2.89Å; D775-R777 IonicContact OD1-NE 3.06Å; D775-R777 PolarHBondContact OD1-NE 3.09Å; D775-R777 IonicContact OD2-CZ 3.64Å; D775-R777 IonicContact OD2-NE 3.79Å; D775-R777 PolarHBondContact OD2-NE 3.11Å; D775-R777 IonicContact OD2-NH2 3.53Å; D775-R777 PolarHBondContact OD2-NH2 3.35Å; R777-F788 HydrophobicContact CB-CD2 4.26Å; R777-F788 HydrophobicContact CB-CE2 4.18Å; R777-F788 HydrophobicContact CG-CE2 4.31Å
778	L	91.4	Very high	88.8	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-91	-43.2	178.6	-62	175.7	0	0	0	111	I642 F770 D775 H780 P781 F790 M809	I642-L778 HydrophobicContact CD1-CD1 3.57Å; F770-L778 HydrophobicContact CD1-CD1 3.93Å; F770-L778 HydrophobicContact CD1-CD2 4.25Å; F770-L778 HydrophobicContact CD1-CG 3.98Å; F770-L778 HydrophobicContact CE1-CD1 4.36Å; F770-L778 HydrophobicContact CE1-CD2 3.82Å; F770-L778 HydrophobicContact CE1-CG 4Å; F770-L778 HydrophobicContact CG-CD1 4.19Å; F770-L778 HydrophobicContact CZ-CD2 4.09Å; D775-L778 HydrophobicContact CB-CD1 4.2Å; D775-L778 HydrophobicContact CB-CG 4.29Å; D775-L778 PolarHBondContact O-N 3.24Å; L778-H780 VanDerWaalsContact C-N 3.29Å; L778-H780 PolarHBondContact O-N 3.34Å; L778-P781 WeakPolarHBondContact O-CG 3.42Å; L778-F790 HydrophobicContact CD2-CD1 3.67Å; L778-F790 HydrophobicContact CD2-CE1 3.77Å; L778-F790 HydrophobicContact CD2-CG 4.3Å; L778-F790 HydrophobicContact CD2-CZ 4.47Å; L778-M809 HydrophobicContact CB-CE 4Å; L778-M809 HydrophobicContact CB-SD 4.45Å
779	V	91.5	Very high	89.2	Confident	35 Å²	35	66.6 Å²	66.6	21%	0.212	35%	0.349	C	S	.	.	H	α-helix	trans	-66	-32.4	176.6	-179.7	0	0	0	0	111.5	D775 F806	D775-V779 WeakPolarHBondContact O-CG2 3.39Å; D775-V779 PolarHBondContact O-N 3.12Å; V779-F806 HydrophobicContact CG2-CD1 4.16Å; V779-F806 HydrophobicContact CG2-CE1 4.22Å
780	H	91.6	Very high	89.6	Confident	115 Å²	115	59.8 Å²	59.8	53%	0.532	32%	0.317	S	S	.	.	S	Bend	trans	-123.8	81	175.3	-54.9	92.1	0	0	0	111.1	S776 L778 F782 S783	S776-H780 WeakPolarHBondContact O-CB 3.2Å; S776-H780 PolarHBondContact O-N 3.34Å; L778-H780 VanDerWaalsContact C-N 3.29Å; L778-H780 PolarHBondContact O-N 3.34Å; H780-F782 PolarHBondContact O-N 2.92Å; H780-S783 VanDerWaalsContact O-CB 3.24Å; H780-S783 WeakPolarHBondContact O-CB 3.43Å; H780-S783 PolarHBondContact O-N 3.47Å; H780-S783 PolarHBondContact O-OG 3.06Å
781	P	88.8	Confident	89.8	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.006	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.7	-171.9	-28	37.8	0	0	0	115.3	L778 S787 F790 Y812	L778-P781 WeakPolarHBondContact O-CG 3.42Å; P781-S787 VanDerWaalsContact O-CB 3.23Å; P781-S787 WeakPolarHBondContact O-CB 3.5Å; P781-F790 HydrophobicContact CB-CE1 4.41Å; P781-F790 HydrophobicContact CG-CE1 4.16Å; P781-F790 HydrophobicContact CG-CZ 3.86Å; P781-Y812 HydrophobicContact CB-CD1 3.59Å; P781-Y812 HydrophobicContact CB-CD2 3.59Å; P781-Y812 HydrophobicContact CB-CE1 3.72Å; P781-Y812 HydrophobicContact CB-CE2 3.72Å; P781-Y812 HydrophobicContact CB-CG 3.52Å; P781-Y812 HydrophobicContact CG-CD1 3.62Å; P781-Y812 HydrophobicContact CG-CD2 4.07Å; P781-Y812 HydrophobicContact CG-CE1 4.23Å; P781-Y812 HydrophobicContact CG-CG 3.53Å
782	F	89	Confident	90.1	Very high	155 Å²	155	55.6 Å²	55.6	68%	0.68	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	0.9	178.9	-54	-69.3	0	0	0	114.2	H780 H784 Y812	H780-F782 PolarHBondContact O-N 2.92Å; F782-H784 VanDerWaalsContact C-N 3.34Å; F782-Y812 HydrophobicContact CE1-CD2 4.15Å; F782-Y812 HydrophobicContact CE1-CE2 4.09Å; F782-Y812 HydrophobicContact CE2-CD2 4.34Å; F782-Y812 AromaticContact CZ-CD2 3.81Å; F782-Y812 HydrophobicContact CZ-CD2 3.81Å; F782-Y812 HydrophobicContact CZ-CE2 4.22Å
783	S	88	Confident	90.2	Very high	78 Å²	78	56.3 Å²	56.3	55%	0.545	29%	0.291	S	S	.	.	S	Bend	trans	-69.4	-31.4	177.3	61.1	0	0	0	0	112.7	H780	H780-S783 VanDerWaalsContact O-CB 3.24Å; H780-S783 WeakPolarHBondContact O-CB 3.43Å; H780-S783 PolarHBondContact O-N 3.47Å; H780-S783 PolarHBondContact O-OG 3.06Å
784	H	85.3	Confident	90.2	Very high	78 Å²	78	58.5 Å²	58.5	36%	0.361	31%	0.306	S	S	.	.	S	Bend	trans	-107.4	149.8	179.3	-168.2	-94.8	0	0	0	111.4	F782 P786 S787 F788	F782-H784 VanDerWaalsContact C-N 3.34Å; H784-P786 CarbonylContact C-O 3.57Å; H784-P786 PolarHBondContact ND1-O 3.31Å; H784-P786 CarbonylContact O-C 3.45Å; H784-S787 PolarHBondContact O-N 3.02Å; H784-F788 HydrophobicContact CB-CD2 4.31Å; H784-F788 HydrophobicContact CB-CE2 3.82Å; H784-F788 AromaticContact CE1-CZ 3.75Å; H784-F788 AromaticContact CG-CE2 3.55Å; H784-F788 AromaticContact ND1-CE2 3.46Å; H784-F788 WeakPolarHBondContact ND1-CE2 3.49Å; H784-F788 AromaticContact ND1-CZ 3.64Å
785	K	85.1	Confident	90	Very high	189 Å²	189	58.6 Å²	58.6	82%	0.822	30%	0.299	S	S	*	.	S	Bend	trans	-132.5	120.5	176	-72.1	-172.9	178.2	-179.9	0	110.3
786	P	85.5	Confident	89.8	Confident	111 Å²	111	58.2 Å²	58.2	72%	0.721	30%	0.297	S	S	*	.	S	Bend	cis	-63.3	153.7	-4.5	29.4	-36.3	0	0	0	113	H784	H784-P786 CarbonylContact C-O 3.57Å; H784-P786 PolarHBondContact ND1-O 3.31Å; H784-P786 CarbonylContact O-C 3.45Å
787	S	87.1	Confident	89.8	Confident	40 Å²	40	55.5 Å²	55.5	28%	0.28	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-73.2	132.6	174.8	58.5	0	0	0	0	110.5	P781 H784 K789 Y812	P781-S787 VanDerWaalsContact O-CB 3.23Å; P781-S787 WeakPolarHBondContact O-CB 3.5Å; H784-S787 PolarHBondContact O-N 3.02Å; S787-K789 PolarHBondContact O-N 2.95Å; S787-Y812 WeakPolarHBondContact CB-OH 3.43Å; S787-Y812 PolarHBondContact OG-OH 3.12Å
788	F	91.3	Very high	89.9	Confident	16 Å²	16	52.5 Å²	52.5	7%	0.07	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-64.9	126.8	178	-61.7	-79.8	0	0	0	111.4	H768 F770 R777 H784 F790 Y812 D834	H768-F788 AromaticContact CE1-CE1 3.7Å; H768-F788 AromaticContact ND1-CE1 3.74Å; F770-F788 HydrophobicContact CZ-CD1 4.28Å; F770-F788 HydrophobicContact CZ-CG 4.32Å; R777-F788 HydrophobicContact CB-CD2 4.26Å; R777-F788 HydrophobicContact CB-CE2 4.18Å; R777-F788 HydrophobicContact CG-CE2 4.31Å; H784-F788 HydrophobicContact CB-CD2 4.31Å; H784-F788 HydrophobicContact CB-CE2 3.82Å; H784-F788 AromaticContact CE1-CZ 3.75Å; H784-F788 AromaticContact CG-CE2 3.55Å; H784-F788 AromaticContact ND1-CE2 3.46Å; H784-F788 WeakPolarHBondContact ND1-CE2 3.49Å; H784-F788 AromaticContact ND1-CZ 3.64Å; F788-F790 WeakPolarHBondContact O-CD1 2.99Å; F788-Y812 WeakPolarHBondContact O-CE1 3.46Å; F788-Y812 PolarHBondContact O-OH 2.95Å; F788-Y812 VanDerWaalsContact O-OH 3.13Å; F788-D834 HydrophobicContact CB-CB 4.47Å; F788-D834 HydrophobicContact CD1-CB 4.3Å
789	K	92.7	Very high	89.9	Confident	81 Å²	81	53.4 Å²	53.4	35%	0.352	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-84.6	119.9	177.9	-59.9	172.6	-169.1	164.6	0	110.2	S787 Y816 N832 L833 D834 S835	S787-K789 PolarHBondContact O-N 2.95Å; K789-Y816 HydrophobicContact CG-CE1 4.35Å; K789-Y816 HydrophobicContact CG-CE2 4.45Å; K789-N832 VanDerWaalsContact CD-O 3.23Å; K789-N832 WeakPolarHBondContact CD-O 3.43Å; K789-L833 HydrophobicContact CB-CD2 4.15Å; K789-D834 PolarHBondContact N-OD2 3.4Å; K789-D834 PolarHBondContact O-N 3.13Å; K789-S835 PolarHBondContact O-N 2.87Å
790	F	94	Very high	89.8	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	148.9	176.5	60	-97.6	0	0	0	112.3	L778 P781 F788 M809 Y812 M813 Y816 S835 I837	L778-F790 HydrophobicContact CD2-CD1 3.67Å; L778-F790 HydrophobicContact CD2-CE1 3.77Å; L778-F790 HydrophobicContact CD2-CG 4.3Å; L778-F790 HydrophobicContact CD2-CZ 4.47Å; P781-F790 HydrophobicContact CB-CE1 4.41Å; P781-F790 HydrophobicContact CG-CE1 4.16Å; P781-F790 HydrophobicContact CG-CZ 3.86Å; F788-F790 WeakPolarHBondContact O-CD1 2.99Å; F790-M809 HydrophobicContact CD2-CE 3.98Å; F790-M809 HydrophobicContact CE2-CE 3.48Å; F790-M809 VanDerWaalsContact CE2-CE 3.48Å; F790-M809 HydrophobicContact CE2-CG 3.53Å; F790-M809 HydrophobicContact CE2-SD 4.4Å; F790-M809 HydrophobicContact CZ-CE 3.97Å; F790-M809 HydrophobicContact CZ-CG 3.72Å; F790-Y812 HydrophobicContact CD1-CD1 4.47Å; F790-Y812 HydrophobicContact CD1-CE1 4.13Å; F790-Y812 AromaticContact CE1-CD1 3.81Å; F790-Y812 HydrophobicContact CE1-CD1 3.81Å; F790-Y812 AromaticContact CE1-CE1 3.74Å; F790-Y812 HydrophobicContact CE1-CE1 3.74Å; F790-Y812 HydrophobicContact CE2-CD1 4.08Å; F790-Y812 AromaticContact CZ-CD1 3.59Å; F790-Y812 HydrophobicContact CZ-CD1 3.59Å; F790-Y812 HydrophobicContact CZ-CE1 4.03Å; F790-M813 HydrophobicContact CD2-CB 4.22Å; F790-M813 HydrophobicContact CD2-CG 3.98Å; F790-M813 HydrophobicContact CD2-SD 4.35Å; F790-M813 HydrophobicContact CE2-CB 4Å; F790-M813 HydrophobicContact CE2-CG 4.22Å; F790-Y816 WeakPolarHBondContact O-CB 3.36Å; F790-S835 VanDerWaalsContact CA-O 3.3Å; F790-S835 WeakPolarHBondContact CA-O 3.4Å; F790-S835 WeakPolarHBondContact CB-OG 3Å; F790-I837 HydrophobicContact CB-CD1 4.31Å; F790-I837 HydrophobicContact CD2-CD1 3.84Å; F790-I837 HydrophobicContact CG-CD1 4.25Å
791	G	94.6	Very high	89.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	165.7	-174.8	0	0	0	0	0	112.3	F836 I837	G791-F836 WeakPolarHBondContact O-CD2 3.34Å; G791-I837 PolarHBondContact O-N 2.8Å
792	T	95.1	Very high	90	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.249	C	C	.	.			trans	-136.1	-171.9	169.8	-159.6	0	0	0	0	110.6	T798 D799 M813 N817 K818 I837	T792-T798 PolarHBondContact OG1-OG1 2.79Å; T792-D799 HydrophobicContact CG2-CB 3.88Å; T792-M813 HydrophobicContact CG2-CE 3.35Å; T792-M813 HydrophobicContact CG2-SD 3.71Å; T792-N817 PolarHBondContact N-OD1 3.34Å; T792-N817 CarbonylContact O-C 3.34Å; T792-N817 WeakPolarHBondContact O-CA 3.49Å; T792-N817 VanDerWaalsContact O-CB 3.28Å; T792-N817 WeakPolarHBondContact O-CB 3.28Å; T792-N817 VanDerWaalsContact O-CG 3.25Å; T792-N817 PolarHBondContact O-OD1 2.87Å; T792-K818 PolarHBondContact O-N 2.68Å; T792-I837 WeakPolarHBondContact CB-O 3.26Å; T792-I837 PolarHBondContact OG1-O 2.78Å
793	I	92.8	Very high	90.1	Very high	17 Å²	17	45.6 Å²	45.6	9%	0.087	24%	0.238	C	C	.	.			trans	-96.8	128.1	174.4	-65.4	170.7	0	0	0	109.5	S796 D799 V821 F836 Y838	I793-S796 VanDerWaalsContact O-CB 3.3Å; I793-S796 WeakPolarHBondContact O-CB 3.28Å; I793-S796 PolarHBondContact O-OG 3.35Å; I793-D799 WeakPolarHBondContact O-CB 3.46Å; I793-V821 HydrophobicContact CD1-CB 4.21Å; I793-V821 HydrophobicContact CD1-CG2 3.51Å; I793-F836 HydrophobicContact CD1-CZ 4.29Å; I793-F836 HydrophobicContact CG1-CZ 4.07Å; I793-Y838 HydrophobicContact CB-CD2 4.45Å; I793-Y838 HydrophobicContact CB-CE2 4.11Å; I793-Y838 HydrophobicContact CD1-CD2 4.11Å; I793-Y838 HydrophobicContact CD1-CE1 4.49Å; I793-Y838 HydrophobicContact CD1-CE2 3.77Å; I793-Y838 HydrophobicContact CG1-CD2 4.4Å; I793-Y838 HydrophobicContact CG1-CE2 4.29Å
794	P	89.9	Confident	90.1	Very high	51 Å²	51	46.8 Å²	46.8	33%	0.331	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	153.7	-177.8	30.7	-36	0	0	0	112.4	S796 D799 K818	P794-S796 PolarHBondContact O-N 2.03Å; P794-S796 VanDerWaalsContact O-N 3.14Å; P794-D799 WeakPolarHBondContact CA-OD2 3.31Å; P794-K818 WeakPolarHBondContact CD-O 3.47Å
795	Y	86.4	Confident	90.4	Very high	111 Å²	111	49.8 Å²	49.8	44%	0.435	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	16	-178.8	-44	-82.4	0	0	0	115	T594 D799	T594-Y795 VanDerWaalsContact CG2-O 3.32Å; T594-Y795 WeakPolarHBondContact CG2-O 3.37Å; Y795-D799 PolarHBondContact N-OD2 3.26Å; Y795-D799 VanDerWaalsContact N-OD2 3.15Å
796	S	88.6	Confident	90.8	Very high	2 Å²	2	42 Å²	42	1%	0.014	21%	0.208	C	C	.	.	S	Bend	trans	-88.3	171.6	173.2	66.3	0	0	0	0	111.7	I793 P794 T798 D799 S800	I793-S796 VanDerWaalsContact O-CB 3.3Å; I793-S796 WeakPolarHBondContact O-CB 3.28Å; I793-S796 PolarHBondContact O-OG 3.35Å; P794-S796 PolarHBondContact O-N 2.03Å; P794-S796 VanDerWaalsContact O-N 3.14Å; S796-T798 VanDerWaalsContact C-N 3.31Å; S796-T798 PolarHBondContact O-N 3.06Å; S796-T798 PolarHBondContact OG-N 2.98Å; S796-T798 PolarHBondContact OG-OG1 3.44Å; S796-D799 WeakPolarHBondContact OG-CB 3.22Å; S796-D799 PolarHBondContact OG-N 3.17Å; S796-D799 VanDerWaalsContact OG-N 3.11Å; S796-S800 PolarHBondContact O-N 3.5Å; S796-S800 VanDerWaalsContact O-N 3.14Å; S796-S800 PolarHBondContact O-OG 3.39Å
797	H	88.8	Confident	91.2	Very high	20 Å²	20	41.1 Å²	41.1	9%	0.093	20%	0.198	C	C	.	.	H	α-helix	trans	-61	-41.6	170.9	-178.7	78.6	0	0	0	111.5	M620 D799 S800 T801	M620-H797 HydrophobicContact CB-CB 4.45Å; M620-H797 HydrophobicContact SD-CB 3.77Å; M620-H797 PolarHBondContact SD-CD2 2.65Å; M620-H797 VanDerWaalsContact SD-CG 3.54Å; H797-D799 PolarHBondContact O-N 3.07Å; H797-S800 WeakPolarHBondContact CA-OG 3.4Å; H797-S800 PolarHBondContact O-N 3.22Å; H797-S800 PolarHBondContact O-OG 3.44Å; H797-T801 PolarHBondContact CE1-OG1 3.14Å; H797-T801 VanDerWaalsContact CE1-OG1 3.27Å; H797-T801 PolarHBondContact NE2-OG1 3.1Å; H797-T801 WeakPolarHBondContact O-CB 3.39Å; H797-T801 PolarHBondContact O-N 3.08Å; H797-T801 PolarHBondContact O-OG1 3.47Å
798	T	91.3	Very high	91.4	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-44.3	-178.8	55.7	0	0	0	0	111.6	I640 T792 S796 T801 I802 Y838	I640-T798 HydrophobicContact CD1-CG2 4.04Å; I640-T798 HydrophobicContact CG1-CG2 3.97Å; I640-T798 HydrophobicContact CG2-CG2 4.05Å; T792-T798 PolarHBondContact OG1-OG1 2.79Å; S796-T798 VanDerWaalsContact C-N 3.31Å; S796-T798 PolarHBondContact O-N 3.06Å; S796-T798 PolarHBondContact OG-N 2.98Å; S796-T798 PolarHBondContact OG-OG1 3.44Å; T798-T801 PolarHBondContact O-N 2.93Å; T798-I802 WeakPolarHBondContact O-CB 3.27Å; T798-I802 WeakPolarHBondContact O-CD1 3.42Å; T798-I802 WeakPolarHBondContact O-CG1 2.98Å; T798-I802 PolarHBondContact O-N 3.31Å; T798-Y838 HydrophobicContact CG2-CD2 4.36Å
799	D	91.4	Very high	91.5	Very high	20 Å²	20	43 Å²	43	11%	0.107	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-46.4	175.9	-169.5	43.1	0	0	0	112	T792 I793 P794 Y795 S796 H797 T801 I802 H803 H810	T792-D799 HydrophobicContact CG2-CB 3.88Å; I793-D799 WeakPolarHBondContact O-CB 3.46Å; P794-D799 WeakPolarHBondContact CA-OD2 3.31Å; Y795-D799 PolarHBondContact N-OD2 3.26Å; Y795-D799 VanDerWaalsContact N-OD2 3.15Å; S796-D799 WeakPolarHBondContact OG-CB 3.22Å; S796-D799 PolarHBondContact OG-N 3.17Å; S796-D799 VanDerWaalsContact OG-N 3.11Å; H797-D799 PolarHBondContact O-N 3.07Å; D799-T801 PolarHBondContact O-N 3.46Å; D799-I802 PolarHBondContact O-N 2.75Å; D799-H803 VanDerWaalsContact O-CB 3.28Å; D799-H803 WeakPolarHBondContact O-CB 2.97Å; D799-H803 PolarHBondContact O-N 3.05Å; D799-H810 IonicContact OD1-CE1 3.64Å; D799-H810 PolarHBondContact OD1-CE1 3.12Å; D799-H810 IonicContact OD1-ND1 2.69Å; D799-H810 PolarHBondContact OD1-ND1 2.91Å
800	S	89	Confident	91.6	Very high	37 Å²	37	39.9 Å²	39.9	26%	0.259	20%	0.195	S	C	.	.	H	α-helix	trans	-64	-39	177.5	61.4	0	0	0	0	113.4	S796 H797 K804	S796-S800 PolarHBondContact O-N 3.5Å; S796-S800 VanDerWaalsContact O-N 3.14Å; S796-S800 PolarHBondContact O-OG 3.39Å; H797-S800 WeakPolarHBondContact CA-OG 3.4Å; H797-S800 PolarHBondContact O-N 3.22Å; H797-S800 PolarHBondContact O-OG 3.44Å; S800-K804 WeakPolarHBondContact O-CB 3.37Å; S800-K804 PolarHBondContact O-N 3.37Å
801	T	90.5	Very high	91.6	Very high	10 Å²	10	44.2 Å²	44.2	6%	0.061	22%	0.218	C	C	.	.	H	α-helix	trans	-71.9	-41.2	179.8	-69.3	0	0	0	0	111.1	I640 H797 T798 D799 K804 Y805 Y862	I640-T801 HydrophobicContact CD1-CG2 3.8Å; H797-T801 PolarHBondContact CE1-OG1 3.14Å; H797-T801 VanDerWaalsContact CE1-OG1 3.27Å; H797-T801 PolarHBondContact NE2-OG1 3.1Å; H797-T801 WeakPolarHBondContact O-CB 3.39Å; H797-T801 PolarHBondContact O-N 3.08Å; H797-T801 PolarHBondContact O-OG1 3.47Å; T798-T801 PolarHBondContact O-N 2.93Å; D799-T801 PolarHBondContact O-N 3.46Å; T801-K804 PolarHBondContact O-N 3.37Å; T801-Y805 HydrophobicContact CG2-CD2 3.89Å; T801-Y805 HydrophobicContact CG2-CE2 4.16Å; T801-Y805 VanDerWaalsContact O-CD2 3.32Å; T801-Y805 WeakPolarHBondContact O-CD2 3.26Å; T801-Y805 PolarHBondContact O-N 3.09Å; T801-Y805 VanDerWaalsContact O-N 3.08Å; T801-Y862 HydrophobicContact CG2-CE1 4.33Å
802	I	93.1	Very high	91.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-68.8	-36.7	175.4	-63	166.6	0	0	0	110.7	L773 T798 D799 F806 M809 H810 M813 I837	L773-I802 HydrophobicContact CD1-CD1 4.47Å; L773-I802 HydrophobicContact CD2-CG1 4.29Å; T798-I802 WeakPolarHBondContact O-CB 3.27Å; T798-I802 WeakPolarHBondContact O-CD1 3.42Å; T798-I802 WeakPolarHBondContact O-CG1 2.98Å; T798-I802 PolarHBondContact O-N 3.31Å; D799-I802 PolarHBondContact O-N 2.75Å; I802-F806 HydrophobicContact CG2-CB 4.18Å; I802-F806 CarbonylContact O-C 3.51Å; I802-F806 VanDerWaalsContact O-CA 3.28Å; I802-F806 WeakPolarHBondContact O-CA 3.01Å; I802-F806 PolarHBondContact O-N 2.03Å; I802-M809 HydrophobicContact CG2-CB 4.44Å; I802-M809 HydrophobicContact CG2-CG 4.27Å; I802-M809 HydrophobicContact CG2-SD 4.24Å; I802-H810 HydrophobicContact CG2-CB 4.12Å; I802-M813 HydrophobicContact CB-CE 4.09Å; I802-M813 HydrophobicContact CD1-CE 3.94Å; I802-M813 HydrophobicContact CD1-SD 4Å; I802-M813 HydrophobicContact CG2-CE 3.75Å; I802-M813 HydrophobicContact CG2-SD 4.46Å; I802-I837 HydrophobicContact CD1-CG2 4.05Å
803	H	91.1	Very high	91.5	Very high	95 Å²	95	44.7 Å²	44.7	44%	0.44	22%	0.22	S	C	.	.	H	α-helix	trans	-59.1	-46.6	171.8	-173.7	93.6	0	0	0	112	D799 H810	D799-H803 VanDerWaalsContact O-CB 3.28Å; D799-H803 WeakPolarHBondContact O-CB 2.97Å; D799-H803 PolarHBondContact O-N 3.05Å; H803-H810 AromaticContact CE1-NE2 3.94Å; H803-H810 AromaticContact CG-NE2 3.99Å; H803-H810 AromaticContact ND1-CD2 3.2Å; H803-H810 PolarHBondContact ND1-CD2 3.4Å; H803-H810 AromaticContact ND1-CE1 3.52Å; H803-H810 AromaticContact ND1-CG 3.78Å; H803-H810 AromaticContact ND1-ND1 3.94Å; H803-H810 AromaticContact ND1-NE2 3.01Å; H803-H810 PolarHBondContact ND1-NE2 2.88Å
804	K	88.9	Confident	91.5	Very high	102 Å²	102	52.4 Å²	52.4	44%	0.443	25%	0.248	S	C	.	.	H	α-helix	trans	-69.6	-39.8	-175.4	-171.9	170.3	-176.3	173.1	0	113.8	E624 S800 T801	E624-K804 IonicContact OE1-NZ 3.29Å; E624-K804 PolarHBondContact OE1-NZ 2.68Å; S800-K804 WeakPolarHBondContact O-CB 3.37Å; S800-K804 PolarHBondContact O-N 3.37Å; T801-K804 PolarHBondContact O-N 3.37Å
805	Y	91.3	Very high	91.6	Very high	142 Å²	142	55.8 Å²	55.8	56%	0.557	26%	0.259	S	S	*	.	H	α-helix	trans	-106	-25.3	-174.8	-61.2	-65.8	0	0	0	114.8	T801	T801-Y805 HydrophobicContact CG2-CD2 3.89Å; T801-Y805 HydrophobicContact CG2-CE2 4.16Å; T801-Y805 VanDerWaalsContact O-CD2 3.32Å; T801-Y805 WeakPolarHBondContact O-CD2 3.26Å; T801-Y805 PolarHBondContact O-N 3.09Å; T801-Y805 VanDerWaalsContact O-N 3.08Å
806	F	93.8	Very high	92	Very high	26 Å²	26	53.4 Å²	53.4	11%	0.114	25%	0.25	C	S	.	.			trans	-132.2	53.6	-172.8	-55	-84.5	0	0	0	112.1	L773 N774 V779 I802 V808 M809 H810 Y862	L773-F806 HydrophobicContact CD2-CD2 4.13Å; L773-F806 HydrophobicContact CD2-CE2 3.67Å; L773-F806 HydrophobicContact CD2-CZ 4.34Å; L773-F806 HydrophobicContact CG-CE2 4.3Å; N774-F806 VanDerWaalsContact OD1-CZ 3.31Å; N774-F806 WeakPolarHBondContact OD1-CZ 3.36Å; V779-F806 HydrophobicContact CG2-CD1 4.16Å; V779-F806 HydrophobicContact CG2-CE1 4.22Å; I802-F806 HydrophobicContact CG2-CB 4.18Å; I802-F806 CarbonylContact O-C 3.51Å; I802-F806 VanDerWaalsContact O-CA 3.28Å; I802-F806 WeakPolarHBondContact O-CA 3.01Å; I802-F806 PolarHBondContact O-N 2.03Å; F806-V808 VanDerWaalsContact C-N 3.28Å; F806-V808 PolarHBondContact O-N 3.05Å; F806-V808 VanDerWaalsContact O-N 3.1Å; F806-M809 HydrophobicContact CB-CB 3.81Å; F806-M809 HydrophobicContact CB-SD 4.27Å; F806-M809 WeakPolarHBondContact O-CA 3.49Å; F806-M809 VanDerWaalsContact O-CB 3.28Å; F806-M809 WeakPolarHBondContact O-CB 3.32Å; F806-M809 PolarHBondContact O-N 3.29Å; F806-H810 PolarHBondContact O-N 3Å; F806-Y862 AromaticContact CE2-CE1 3.93Å; F806-Y862 HydrophobicContact CE2-CE1 3.93Å; F806-Y862 HydrophobicContact CE2-CE2 4.18Å; F806-Y862 AromaticContact CE2-CZ 3.63Å; F806-Y862 AromaticContact CZ-CE2 3.93Å; F806-Y862 HydrophobicContact CZ-CE2 3.93Å; F806-Y862 AromaticContact CZ-CZ 3.79Å
807	N	92.6	Very high	92.3	Very high	92 Å²	92	54.9 Å²	54.9	49%	0.492	26%	0.258	S	S	.	.	H	α-helix	trans	-48.9	-41.5	-175	-167.6	-20	0	0	0	114.1	M809 H810 N811	N807-M809 PolarHBondContact O-N 2.94Å; N807-H810 PolarHBondContact O-N 3.44Å; N807-N811 PolarHBondContact O-N 3.19Å; N807-N811 PolarHBondContact O-ND2 3.42Å; N807-N811 PolarHBondContact OD1-ND2 2.86Å
808	V	92.9	Very high	92.5	Very high	94 Å²	94	57.2 Å²	57.2	57%	0.57	27%	0.267	S	S	*	.	H	α-helix	trans	-60.8	-44.4	175.1	178.7	0	0	0	0	112.1	F806 Y812	F806-V808 VanDerWaalsContact C-N 3.28Å; F806-V808 PolarHBondContact O-N 3.05Å; F806-V808 VanDerWaalsContact O-N 3.1Å; V808-Y812 PolarHBondContact O-N 3.04Å
809	M	93.4	Very high	92.5	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-65.5	-45.5	176.9	-174.6	-178	178.2	0	0	111	L773 L778 F790 I802 F806 N807 N811 Y812 M813 I837	L773-M809 HydrophobicContact CD1-CE 3.73Å; L773-M809 HydrophobicContact CD1-SD 4.28Å; L778-M809 HydrophobicContact CB-CE 4Å; L778-M809 HydrophobicContact CB-SD 4.45Å; F790-M809 HydrophobicContact CD2-CE 3.98Å; F790-M809 HydrophobicContact CE2-CE 3.48Å; F790-M809 VanDerWaalsContact CE2-CE 3.48Å; F790-M809 HydrophobicContact CE2-CG 3.53Å; F790-M809 HydrophobicContact CE2-SD 4.4Å; F790-M809 HydrophobicContact CZ-CE 3.97Å; F790-M809 HydrophobicContact CZ-CG 3.72Å; I802-M809 HydrophobicContact CG2-CB 4.44Å; I802-M809 HydrophobicContact CG2-CG 4.27Å; I802-M809 HydrophobicContact CG2-SD 4.24Å; F806-M809 HydrophobicContact CB-CB 3.81Å; F806-M809 HydrophobicContact CB-SD 4.27Å; F806-M809 WeakPolarHBondContact O-CA 3.49Å; F806-M809 VanDerWaalsContact O-CB 3.28Å; F806-M809 WeakPolarHBondContact O-CB 3.32Å; F806-M809 PolarHBondContact O-N 3.29Å; N807-M809 PolarHBondContact O-N 2.94Å; M809-N811 PolarHBondContact O-N 3.35Å; M809-Y812 PolarHBondContact O-N 2.96Å; M809-M813 VanDerWaalsContact O-CB 3.23Å; M809-M813 WeakPolarHBondContact O-CB 3.36Å; M809-M813 PolarHBondContact O-N 2.91Å; M809-I837 HydrophobicContact CE-CD1 3.33Å
810	H	94.1	Very high	92.5	Very high	15 Å²	15	64.5 Å²	64.5	7%	0.069	32%	0.315	C	S	.	.	H	α-helix	trans	-56.7	-46.3	176.6	175.2	85.3	0	0	0	112.4	D799 I802 H803 F806 N807 Y812 M813 R814	D799-H810 IonicContact OD1-CE1 3.64Å; D799-H810 PolarHBondContact OD1-CE1 3.12Å; D799-H810 IonicContact OD1-ND1 2.69Å; D799-H810 PolarHBondContact OD1-ND1 2.91Å; I802-H810 HydrophobicContact CG2-CB 4.12Å; H803-H810 AromaticContact CE1-NE2 3.94Å; H803-H810 AromaticContact CG-NE2 3.99Å; H803-H810 AromaticContact ND1-CD2 3.2Å; H803-H810 PolarHBondContact ND1-CD2 3.4Å; H803-H810 AromaticContact ND1-CE1 3.52Å; H803-H810 AromaticContact ND1-CG 3.78Å; H803-H810 AromaticContact ND1-ND1 3.94Å; H803-H810 AromaticContact ND1-NE2 3.01Å; H803-H810 PolarHBondContact ND1-NE2 2.88Å; F806-H810 PolarHBondContact O-N 3Å; N807-H810 PolarHBondContact O-N 3.44Å; H810-Y812 VanDerWaalsContact C-N 3.32Å; H810-Y812 PolarHBondContact O-N 3.49Å; H810-M813 PolarHBondContact O-N 2.88Å; H810-M813 VanDerWaalsContact O-N 3.17Å; H810-R814 PolarHBondContact O-N 3.47Å
811	N	93.6	Very high	92.6	Very high	91 Å²	91	63.6 Å²	63.6	49%	0.487	31%	0.308	S	S	.	.	H	α-helix	trans	-63.4	-36.1	178.6	-70.7	-51	0	0	0	112.8	N807 M809	N807-N811 PolarHBondContact O-N 3.19Å; N807-N811 PolarHBondContact O-ND2 3.42Å; N807-N811 PolarHBondContact OD1-ND2 2.86Å; M809-N811 PolarHBondContact O-N 3.35Å
812	Y	93.7	Very high	92.7	Very high	11 Å²	11	66 Å²	66	4%	0.043	33%	0.329	C	S	.	.	H	α-helix	trans	-72.8	-34.3	173.3	178.7	-92.4	0	0	0	113	P781 F782 S787 F788 F790 V808 M809 H810 Q815 Y816	P781-Y812 HydrophobicContact CB-CD1 3.59Å; P781-Y812 HydrophobicContact CB-CD2 3.59Å; P781-Y812 HydrophobicContact CB-CE1 3.72Å; P781-Y812 HydrophobicContact CB-CE2 3.72Å; P781-Y812 HydrophobicContact CB-CG 3.52Å; P781-Y812 HydrophobicContact CG-CD1 3.62Å; P781-Y812 HydrophobicContact CG-CD2 4.07Å; P781-Y812 HydrophobicContact CG-CE1 4.23Å; P781-Y812 HydrophobicContact CG-CG 3.53Å; F782-Y812 HydrophobicContact CE1-CD2 4.15Å; F782-Y812 HydrophobicContact CE1-CE2 4.09Å; F782-Y812 HydrophobicContact CE2-CD2 4.34Å; F782-Y812 AromaticContact CZ-CD2 3.81Å; F782-Y812 HydrophobicContact CZ-CD2 3.81Å; F782-Y812 HydrophobicContact CZ-CE2 4.22Å; S787-Y812 WeakPolarHBondContact CB-OH 3.43Å; S787-Y812 PolarHBondContact OG-OH 3.12Å; F788-Y812 WeakPolarHBondContact O-CE1 3.46Å; F788-Y812 PolarHBondContact O-OH 2.95Å; F788-Y812 VanDerWaalsContact O-OH 3.13Å; F790-Y812 HydrophobicContact CD1-CD1 4.47Å; F790-Y812 HydrophobicContact CD1-CE1 4.13Å; F790-Y812 AromaticContact CE1-CD1 3.81Å; F790-Y812 HydrophobicContact CE1-CD1 3.81Å; F790-Y812 AromaticContact CE1-CE1 3.74Å; F790-Y812 HydrophobicContact CE1-CE1 3.74Å; F790-Y812 HydrophobicContact CE2-CD1 4.08Å; F790-Y812 AromaticContact CZ-CD1 3.59Å; F790-Y812 HydrophobicContact CZ-CD1 3.59Å; F790-Y812 HydrophobicContact CZ-CE1 4.03Å; V808-Y812 PolarHBondContact O-N 3.04Å; M809-Y812 PolarHBondContact O-N 2.96Å; H810-Y812 VanDerWaalsContact C-N 3.32Å; H810-Y812 PolarHBondContact O-N 3.49Å; Y812-Q815 WeakPolarHBondContact O-CG 3.41Å; Y812-Q815 PolarHBondContact O-NE2 3.1Å; Y812-Y816 HydrophobicContact CE1-CD2 4.07Å; Y812-Y816 AromaticContact CE1-CE2 3.82Å; Y812-Y816 HydrophobicContact CE1-CE2 3.82Å; Y812-Y816 HydrophobicContact CE2-CE2 4.25Å; Y812-Y816 AromaticContact CZ-CE2 3.66Å
813	M	94.2	Very high	92.7	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-72.2	-33.8	-177.9	-169.2	177.1	58.9	0	0	112.2	F790 T792 I802 M809 H810 Q815 Y816 N817	F790-M813 HydrophobicContact CD2-CB 4.22Å; F790-M813 HydrophobicContact CD2-CG 3.98Å; F790-M813 HydrophobicContact CD2-SD 4.35Å; F790-M813 HydrophobicContact CE2-CB 4Å; F790-M813 HydrophobicContact CE2-CG 4.22Å; T792-M813 HydrophobicContact CG2-CE 3.35Å; T792-M813 HydrophobicContact CG2-SD 3.71Å; I802-M813 HydrophobicContact CB-CE 4.09Å; I802-M813 HydrophobicContact CD1-CE 3.94Å; I802-M813 HydrophobicContact CD1-SD 4Å; I802-M813 HydrophobicContact CG2-CE 3.75Å; I802-M813 HydrophobicContact CG2-SD 4.46Å; M809-M813 VanDerWaalsContact O-CB 3.23Å; M809-M813 WeakPolarHBondContact O-CB 3.36Å; M809-M813 PolarHBondContact O-N 2.91Å; H810-M813 PolarHBondContact O-N 2.88Å; H810-M813 VanDerWaalsContact O-N 3.17Å; M813-Q815 PolarHBondContact O-N 2.84Å; M813-Q815 VanDerWaalsContact O-N 3.1Å; M813-Y816 CarbonylContact O-C 3.56Å; M813-Y816 WeakPolarHBondContact O-CA 3.27Å; M813-Y816 PolarHBondContact O-N 3.23Å; M813-N817 WeakPolarHBondContact CG-OD1 3.36Å; M813-N817 PolarHBondContact O-N 2.87Å; M813-N817 VanDerWaalsContact O-N 3.13Å; M813-N817 PolarHBondContact O-OD1 3.47Å
814	R	92.6	Very high	92.8	Very high	179 Å²	179	64.9 Å²	64.9	68%	0.675	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-31	-174.8	-169.7	175.3	-177.1	-177.2	3	115.1	H810 Y816	H810-R814 PolarHBondContact O-N 3.47Å; R814-Y816 VanDerWaalsContact C-N 3.3Å
815	Q	92.8	Very high	93	Very high	122 Å²	122	60.7 Å²	60.7	57%	0.57	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-10.5	175.9	47.5	169.9	-0.7	0	0	114	Y812 M813	Y812-Q815 WeakPolarHBondContact O-CG 3.41Å; Y812-Q815 PolarHBondContact O-NE2 3.1Å; M813-Q815 PolarHBondContact O-N 2.84Å; M813-Q815 VanDerWaalsContact O-N 3.1Å
816	Y	94.4	Very high	93.1	Very high	61 Å²	61	55.9 Å²	55.9	24%	0.239	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-1.4	-178	-62.6	-51.8	0	0	0	113.9	K789 F790 Y812 M813 R814 L833	K789-Y816 HydrophobicContact CG-CE1 4.35Å; K789-Y816 HydrophobicContact CG-CE2 4.45Å; F790-Y816 WeakPolarHBondContact O-CB 3.36Å; Y812-Y816 HydrophobicContact CE1-CD2 4.07Å; Y812-Y816 AromaticContact CE1-CE2 3.82Å; Y812-Y816 HydrophobicContact CE1-CE2 3.82Å; Y812-Y816 HydrophobicContact CE2-CE2 4.25Å; Y812-Y816 AromaticContact CZ-CE2 3.66Å; M813-Y816 CarbonylContact O-C 3.56Å; M813-Y816 WeakPolarHBondContact O-CA 3.27Å; M813-Y816 PolarHBondContact O-N 3.23Å; R814-Y816 VanDerWaalsContact C-N 3.3Å; Y816-L833 HydrophobicContact CG-CD2 4.37Å
817	N	94.9	Very high	93.1	Very high	33 Å²	33	55 Å²	55	18%	0.176	30%	0.297	C	S	.	.			trans	-55	155.6	176.4	-82.4	3.1	0	0	0	113.1	T792 M813	T792-N817 PolarHBondContact N-OD1 3.34Å; T792-N817 CarbonylContact O-C 3.34Å; T792-N817 WeakPolarHBondContact O-CA 3.49Å; T792-N817 VanDerWaalsContact O-CB 3.28Å; T792-N817 WeakPolarHBondContact O-CB 3.28Å; T792-N817 VanDerWaalsContact O-CG 3.25Å; T792-N817 PolarHBondContact O-OD1 2.87Å; M813-N817 WeakPolarHBondContact CG-OD1 3.36Å; M813-N817 PolarHBondContact O-N 2.87Å; M813-N817 VanDerWaalsContact O-N 3.13Å; M813-N817 PolarHBondContact O-OD1 3.47Å
818	K	93.8	Very high	93.2	Very high	68 Å²	68	50.7 Å²	50.7	30%	0.296	27%	0.274	S	S	.	.			trans	-127.4	160	-176	-62.3	-63.2	176.2	-172.9	0	111.9	T792 P794 D823 L833 F836	T792-K818 PolarHBondContact O-N 2.68Å; P794-K818 WeakPolarHBondContact CD-O 3.47Å; K818-D823 HydrophobicContact CB-CB 4.25Å; K818-L833 HydrophobicContact CG-CD1 4.4Å; K818-F836 HydrophobicContact CB-CE2 4.43Å
819	T	90.1	Very high	93.2	Very high	121 Å²	121	48.5 Å²	48.5	74%	0.742	26%	0.258	S	S	*	.	S	Bend	trans	-78.9	-49.5	-178	26.3	0	0	0	0	112.4	D823	T819-D823 PolarHBondContact OG1-OD2 2.56Å
820	S	91	Very high	93.1	Very high	55 Å²	55	54.1 Å²	54.1	39%	0.385	29%	0.289	S	S	.	.	S	Bend	trans	-120.2	160	178.5	-178.7	0	0	0	0	112.2	A822 D823 G824	S820-A822 VanDerWaalsContact C-N 3.26Å; S820-A822 PolarHBondContact O-N 2.97Å; S820-A822 PolarHBondContact OG-N 2.86Å; S820-D823 WeakPolarHBondContact CB-OD2 3.42Å; S820-D823 PolarHBondContact N-OD2 2.91Å; S820-D823 WeakPolarHBondContact O-CB 3.36Å; S820-D823 PolarHBondContact O-N 2.99Å; S820-G824 PolarHBondContact O-N 3.09Å; S820-G824 VanDerWaalsContact O-N 3.11Å
821	V	92.4	Very high	92.8	Very high	17 Å²	17	55.3 Å²	55.3	10%	0.103	31%	0.305	C	S	.	.	H	α-helix	trans	-60.9	-39.8	173.8	-165.1	0	0	0	0	110.1	I793 D823 G824 V825 F836 Y838 V842 L843 L846	I793-V821 HydrophobicContact CD1-CB 4.21Å; I793-V821 HydrophobicContact CD1-CG2 3.51Å; V821-D823 PolarHBondContact O-N 3Å; V821-G824 PolarHBondContact O-N 3.29Å; V821-G824 VanDerWaalsContact O-N 3.16Å; V821-V825 PolarHBondContact O-N 3.49Å; V821-F836 HydrophobicContact CG1-CE1 4.11Å; V821-Y838 HydrophobicContact CG1-CD1 3.94Å; V821-Y838 HydrophobicContact CG1-CE1 4.31Å; V821-Y838 HydrophobicContact CG2-CD1 3.97Å; V821-Y838 HydrophobicContact CG2-CE1 3.53Å; V821-V842 HydrophobicContact CG1-CG1 3.99Å; V821-V842 HydrophobicContact CG2-CG1 4.44Å; V821-L843 HydrophobicContact CG1-CD2 4.49Å; V821-L846 HydrophobicContact CB-CD1 4.37Å; V821-L846 HydrophobicContact CG1-CD1 3.5Å
822	A	91.1	Very high	92.8	Very high	62 Å²	62	55.7 Å²	55.7	51%	0.512	31%	0.307	S	S	.	.	H	α-helix	trans	-61.6	-42.5	176.7	0	0	0	0	0	111.9	S820 G824 V825 A826	S820-A822 VanDerWaalsContact C-N 3.26Å; S820-A822 PolarHBondContact O-N 2.97Å; S820-A822 PolarHBondContact OG-N 2.86Å; A822-G824 VanDerWaalsContact C-N 3.29Å; A822-G824 PolarHBondContact O-N 3.49Å; A822-V825 PolarHBondContact O-N 3.49Å; A822-A826 WeakPolarHBondContact O-CB 3.13Å; A822-A826 PolarHBondContact O-N 3.14Å
823	D	93.2	Very high	92.8	Very high	70 Å²	70	55.3 Å²	55.3	37%	0.374	31%	0.306	S	S	.	.	H	α-helix	trans	-62.6	-37.5	174.9	-55.5	-37.2	0	0	0	111.7	K818 T819 S820 V821 A827	K818-D823 HydrophobicContact CB-CB 4.25Å; T819-D823 PolarHBondContact OG1-OD2 2.56Å; S820-D823 WeakPolarHBondContact CB-OD2 3.42Å; S820-D823 PolarHBondContact N-OD2 2.91Å; S820-D823 WeakPolarHBondContact O-CB 3.36Å; S820-D823 PolarHBondContact O-N 2.99Å; V821-D823 PolarHBondContact O-N 3Å; D823-A827 WeakPolarHBondContact O-CB 3.29Å; D823-A827 PolarHBondContact O-N 3.48Å
824	G	93.5	Very high	92.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.6	-53.1	175.9	0	0	0	0	0	112.5	S820 V821 A822 A827 V828	S820-G824 PolarHBondContact O-N 3.09Å; S820-G824 VanDerWaalsContact O-N 3.11Å; V821-G824 PolarHBondContact O-N 3.29Å; V821-G824 VanDerWaalsContact O-N 3.16Å; A822-G824 VanDerWaalsContact C-N 3.29Å; A822-G824 PolarHBondContact O-N 3.49Å; G824-A827 PolarHBondContact O-N 3.49Å; G824-V828 PolarHBondContact O-N 3.17Å; G824-V828 VanDerWaalsContact O-N 3.14Å
825	V	93.6	Very high	92.8	Very high	14 Å²	14	48 Å²	48	9%	0.085	28%	0.28	C	S	.	.	H	α-helix	trans	-65.8	-43.2	179.4	174.4	0	0	0	0	111.5	V821 A822 A827 V828 L829 F836 L843 L846 L855	V821-V825 PolarHBondContact O-N 3.49Å; A822-V825 PolarHBondContact O-N 3.49Å; V825-A827 VanDerWaalsContact C-N 3.29Å; V825-A827 PolarHBondContact O-N 2.94Å; V825-V828 PolarHBondContact O-N 3.43Å; V825-V828 VanDerWaalsContact O-N 3.12Å; V825-L829 HydrophobicContact CG1-CD1 4.49Å; V825-L829 PolarHBondContact O-N 3Å; V825-F836 HydrophobicContact CG2-CD1 4.48Å; V825-L843 HydrophobicContact CG2-CD2 4.19Å; V825-L846 HydrophobicContact CG2-CD1 3.92Å; V825-L855 HydrophobicContact CG1-CD1 3.34Å; V825-L855 HydrophobicContact CG1-CD2 4.31Å; V825-L855 HydrophobicContact CG1-CG 4.46Å
826	A	93.2	Very high	92.9	Very high	42 Å²	42	42.2 Å²	42.2	35%	0.347	25%	0.253	S	S	.	.	H	α-helix	trans	-62.4	-34.4	174.3	0	0	0	0	0	112.4	A822 V828 N830	A822-A826 WeakPolarHBondContact O-CB 3.13Å; A822-A826 PolarHBondContact O-N 3.14Å; A826-V828 VanDerWaalsContact C-N 3.34Å; A826-N830 VanDerWaalsContact O-CB 3.28Å; A826-N830 WeakPolarHBondContact O-CB 3.46Å; A826-N830 VanDerWaalsContact O-CG 3.26Å; A826-N830 PolarHBondContact O-N 3.4Å; A826-N830 PolarHBondContact O-ND2 3.45Å
827	A	94.8	Very high	93	Very high	8 Å²	8	39.3 Å²	39.3	7%	0.066	24%	0.242	C	C	.	.	H	α-helix	trans	-69.6	-29.1	174.7	0	0	0	0	0	113.2	D823 G824 V825 G831 N832 L833	D823-A827 WeakPolarHBondContact O-CB 3.29Å; D823-A827 PolarHBondContact O-N 3.48Å; G824-A827 PolarHBondContact O-N 3.49Å; V825-A827 VanDerWaalsContact C-N 3.29Å; V825-A827 PolarHBondContact O-N 2.94Å; A827-G831 PolarHBondContact O-N 2.94Å; A827-N832 HydrophobicContact CB-CB 4.26Å; A827-N832 WeakPolarHBondContact O-CA 3.28Å; A827-N832 WeakPolarHBondContact O-CB 3.3Å; A827-N832 PolarHBondContact O-N 3.18Å; A827-L833 HydrophobicContact CB-CD1 3.94Å; A827-L833 HydrophobicContact CB-CG 3.96Å; A827-L833 PolarHBondContact O-N 2.93Å
828	V	94.2	Very high	93	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-74.3	-46.1	172.4	173.1	0	0	0	0	111.1	A645 G824 V825 A826 N830 G831 L833 F836 L855	A645-V828 HydrophobicContact CB-CG1 3.84Å; G824-V828 PolarHBondContact O-N 3.17Å; G824-V828 VanDerWaalsContact O-N 3.14Å; V825-V828 PolarHBondContact O-N 3.43Å; V825-V828 VanDerWaalsContact O-N 3.12Å; A826-V828 VanDerWaalsContact C-N 3.34Å; V828-N830 VanDerWaalsContact C-N 3.26Å; V828-N830 PolarHBondContact O-N 2.97Å; V828-G831 PolarHBondContact O-N 3.14Å; V828-L833 HydrophobicContact CG2-CB 3.86Å; V828-F836 HydrophobicContact CG2-CB 3.56Å; V828-L855 HydrophobicContact CG1-CD2 4.07Å
829	L	91.6	Very high	93	Very high	47 Å²	47	35.1 Å²	35.1	25%	0.246	22%	0.222	C	C	.	.	H	α-helix	trans	-57.1	-37.9	174.5	-77.9	174	0	0	0	112.9	V825 G831 R854 L855	V825-L829 HydrophobicContact CG1-CD1 4.49Å; V825-L829 PolarHBondContact O-N 3Å; L829-G831 VanDerWaalsContact C-N 3.31Å; L829-R854 HydrophobicContact CD2-CB 4.09Å; L829-L855 HydrophobicContact CD1-CD1 4.15Å; L829-L855 HydrophobicContact CD2-CD1 4.05Å; L829-L855 HydrophobicContact CD2-CD2 3.95Å; L829-L855 HydrophobicContact CD2-CG 3.74Å; L829-L855 HydrophobicContact CG-CD1 4.05Å; L829-L855 HydrophobicContact CG-CD2 4.05Å; L829-L855 HydrophobicContact CG-CG 4.13Å
830	N	91.6	Very high	93.1	Very high	119 Å²	119	29.4 Å²	29.4	64%	0.636	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	3.6	178.9	-70	-41.5	0	0	0	113.9	A826 V828 N832	A826-N830 VanDerWaalsContact O-CB 3.28Å; A826-N830 WeakPolarHBondContact O-CB 3.46Å; A826-N830 VanDerWaalsContact O-CG 3.26Å; A826-N830 PolarHBondContact O-N 3.4Å; A826-N830 PolarHBondContact O-ND2 3.45Å; V828-N830 VanDerWaalsContact C-N 3.26Å; V828-N830 PolarHBondContact O-N 2.97Å; N830-N832 PolarHBondContact O-N 3.37Å
831	G	89.3	Confident	93.2	Very high	40 Å²	40	27.5 Å²	27.5	41%	0.412	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	67	12.9	-179.7	0	0	0	0	0	115.4	A827 V828 L829	A827-G831 PolarHBondContact O-N 2.94Å; V828-G831 PolarHBondContact O-N 3.14Å; L829-G831 VanDerWaalsContact C-N 3.31Å
832	N	92.1	Very high	93.3	Very high	100 Å²	100	26.8 Å²	26.8	54%	0.535	17%	0.169	S	C	.	.	S	Bend	trans	-74.6	-31.7	174.7	-76.1	-49.4	0	0	0	111.7	K789 A827 N830	K789-N832 VanDerWaalsContact CD-O 3.23Å; K789-N832 WeakPolarHBondContact CD-O 3.43Å; A827-N832 HydrophobicContact CB-CB 4.26Å; A827-N832 WeakPolarHBondContact O-CA 3.28Å; A827-N832 WeakPolarHBondContact O-CB 3.3Å; A827-N832 PolarHBondContact O-N 3.18Å; N830-N832 PolarHBondContact O-N 3.37Å
833	L	93.6	Very high	93.4	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	15%	0.145	C	C	.	.			trans	-115.1	149.3	166.3	-62.3	178.9	0	0	0	109.4	K789 Y816 K818 A827 V828 F836	K789-L833 HydrophobicContact CB-CD2 4.15Å; Y816-L833 HydrophobicContact CG-CD2 4.37Å; K818-L833 HydrophobicContact CG-CD1 4.4Å; A827-L833 HydrophobicContact CB-CD1 3.94Å; A827-L833 HydrophobicContact CB-CG 3.96Å; A827-L833 PolarHBondContact O-N 2.93Å; V828-L833 HydrophobicContact CG2-CB 3.86Å; L833-F836 HydrophobicContact CD1-CD2 4.3Å
834	D	92.4	Very high	93.3	Very high	27 Å²	27	23.4 Å²	23.4	14%	0.144	14%	0.142	C	C	.	.	S	Bend	trans	-86	-31.6	171.8	-70.9	-68.3	0	0	0	111.8	R647 H768 F788 K789	R647-D834 IonicContact CZ-OD1 3.02Å; R647-D834 IonicContact NH1-OD1 3.52Å; R647-D834 PolarHBondContact NH1-OD1 3.47Å; R647-D834 IonicContact NH2-OD1 3.32Å; R647-D834 PolarHBondContact NH2-OD1 2.99Å; H768-D834 IonicContact NE2-OD1 2.68Å; H768-D834 PolarHBondContact NE2-OD1 2.96Å; F788-D834 HydrophobicContact CB-CB 4.47Å; F788-D834 HydrophobicContact CD1-CB 4.3Å; K789-D834 PolarHBondContact N-OD2 3.4Å; K789-D834 PolarHBondContact O-N 3.13Å
835	S	94.3	Very high	93.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	157	172.5	64.2	0	0	0	0	111.5	V643 K789 F790	V643-S835 VanDerWaalsContact O-CA 3.27Å; V643-S835 WeakPolarHBondContact O-CA 3.29Å; V643-S835 WeakPolarHBondContact O-CB 3.45Å; K789-S835 PolarHBondContact O-N 2.87Å; F790-S835 VanDerWaalsContact CA-O 3.3Å; F790-S835 WeakPolarHBondContact CA-O 3.4Å; F790-S835 WeakPolarHBondContact CB-OG 3Å
836	F	96.1	Very high	93.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.6	174	176.4	-109.1	0	0	0	109.4	V643 G791 I793 K818 V821 V825 V828 L833 Y838 L843	V643-F836 HydrophobicContact CG1-CB 3.86Å; V643-F836 HydrophobicContact CG1-CD1 4.18Å; V643-F836 PolarHBondContact N-O 3.43Å; V643-F836 PolarHBondContact O-N 3.23Å; G791-F836 WeakPolarHBondContact O-CD2 3.34Å; I793-F836 HydrophobicContact CD1-CZ 4.29Å; I793-F836 HydrophobicContact CG1-CZ 4.07Å; K818-F836 HydrophobicContact CB-CE2 4.43Å; V821-F836 HydrophobicContact CG1-CE1 4.11Å; V825-F836 HydrophobicContact CG2-CD1 4.48Å; V828-F836 HydrophobicContact CG2-CB 3.56Å; L833-F836 HydrophobicContact CD1-CD2 4.3Å; F836-Y838 HydrophobicContact CE1-CG 4.24Å; F836-Y838 HydrophobicContact CZ-CG 4.44Å; F836-L843 HydrophobicContact CD1-CD2 3.97Å; F836-L843 HydrophobicContact CE1-CD2 4.18Å
837	I	96	Very high	93.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	115.1	-168.8	-52.1	-178.3	0	0	0	108.4	I640 I642 L773 F790 G791 T792 I802 M809	I640-I837 HydrophobicContact CG2-CG2 3.68Å; I642-I837 HydrophobicContact CG1-CG1 4.27Å; I642-I837 HydrophobicContact CG2-CG1 4.43Å; L773-I837 HydrophobicContact CD1-CD1 4.16Å; L773-I837 HydrophobicContact CD1-CG2 3.96Å; F790-I837 HydrophobicContact CB-CD1 4.31Å; F790-I837 HydrophobicContact CD2-CD1 3.84Å; F790-I837 HydrophobicContact CG-CD1 4.25Å; G791-I837 PolarHBondContact O-N 2.8Å; T792-I837 WeakPolarHBondContact CB-O 3.26Å; T792-I837 PolarHBondContact OG1-O 2.78Å; I802-I837 HydrophobicContact CD1-CG2 4.05Å; M809-I837 HydrophobicContact CE-CD1 3.33Å
838	Y	94.8	Very high	92.8	Very high	9 Å²	9	25.1 Å²	25.1	4%	0.035	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	-167.1	-176.3	-162.1	-115.4	0	0	0	111.5	E512 A641 I793 T798 V821 F836 V842	E512-Y838 VanDerWaalsContact OE1-CE1 3.26Å; E512-Y838 WeakPolarHBondContact OE1-CE1 3.24Å; E512-Y838 PolarHBondContact OE1-OH 2.87Å; A641-Y838 PolarHBondContact N-O 3.44Å; A641-Y838 PolarHBondContact O-N 2.87Å; A641-Y838 VanDerWaalsContact O-N 3.17Å; I793-Y838 HydrophobicContact CB-CD2 4.45Å; I793-Y838 HydrophobicContact CB-CE2 4.11Å; I793-Y838 HydrophobicContact CD1-CD2 4.11Å; I793-Y838 HydrophobicContact CD1-CE1 4.49Å; I793-Y838 HydrophobicContact CD1-CE2 3.77Å; I793-Y838 HydrophobicContact CG1-CD2 4.4Å; I793-Y838 HydrophobicContact CG1-CE2 4.29Å; T798-Y838 HydrophobicContact CG2-CD2 4.36Å; V821-Y838 HydrophobicContact CG1-CD1 3.94Å; V821-Y838 HydrophobicContact CG1-CE1 4.31Å; V821-Y838 HydrophobicContact CG2-CD1 3.97Å; V821-Y838 HydrophobicContact CG2-CE1 3.53Å; F836-Y838 HydrophobicContact CE1-CG 4.24Å; F836-Y838 HydrophobicContact CZ-CG 4.44Å; Y838-V842 HydrophobicContact CD1-CB 4.39Å; Y838-V842 HydrophobicContact CD1-CG1 4.38Å; Y838-V842 HydrophobicContact CE1-CB 4.36Å; Y838-V842 HydrophobicContact CE1-CG1 4.24Å; Y838-V842 HydrophobicContact CE1-CG2 4.47Å
839	D	94.2	Very high	92.5	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	128.5	177.6	-163.7	-19.1	0	0	0	112.5	M620 T638 V842 L843 Y867	M620-D839 HydrophobicContact CE-CB 3.78Å; M620-D839 WeakPolarHBondContact CE-OD1 3.45Å; M620-D839 WeakPolarHBondContact CE-OD2 3.23Å; T638-D839 WeakPolarHBondContact CG2-OD1 3.44Å; T638-D839 PolarHBondContact OG1-OD1 2.94Å; D839-V842 HydrophobicContact CB-CB 4.2Å; D839-V842 HydrophobicContact CB-CG2 3.96Å; D839-V842 PolarHBondContact O-N 2.95Å; D839-L843 WeakPolarHBondContact O-CB 3.19Å; D839-L843 VanDerWaalsContact O-CG 3.3Å; D839-L843 WeakPolarHBondContact O-CG 3.21Å; D839-L843 PolarHBondContact O-N 2.88Å; D839-Y867 PolarHBondContact OD1-OH 3.4Å; D839-Y867 VanDerWaalsContact OD1-OH 3.1Å; D839-Y867 VanDerWaalsContact OD2-CE1 3.28Å; D839-Y867 WeakPolarHBondContact OD2-CE1 3.43Å; D839-Y867 VanDerWaalsContact OD2-CZ 3.3Å; D839-Y867 PolarHBondContact OD2-OH 2.98Å
840	G	93.1	Very high	92.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.5	-45	-169.2	0	0	0	0	0	114.4	G639 L843 D844	G639-G840 WeakPolarHBondContact O-CA 3.46Å; G639-G840 PolarHBondContact O-N 3.28Å; G840-L843 PolarHBondContact O-N 2.81Å; G840-D844 WeakPolarHBondContact O-CB 3.16Å; G840-D844 PolarHBondContact O-N 2.94Å
841	T	92.8	Very high	91.8	Very high	16 Å²	16	31 Å²	31	10%	0.098	17%	0.166	C	C	.	.	H	α-helix	trans	-69.6	-33.2	178.7	48.4	0	0	0	0	112.6	Y515 M636 T638 Y845 W861 Y867	Y515-T841 VanDerWaalsContact OH-CB 3.27Å; Y515-T841 WeakPolarHBondContact OH-CB 3.33Å; Y515-T841 PolarHBondContact OH-OG1 3.47Å; M636-T841 HydrophobicContact SD-CG2 4.24Å; T638-T841 PolarHBondContact OG1-N 2.9Å; T638-T841 PolarHBondContact OG1-OG1 2.9Å; T841-Y845 WeakPolarHBondContact O-CB 3.23Å; T841-Y845 PolarHBondContact O-N 3.19Å; T841-W861 HydrophobicContact CG2-CH2 4.12Å; T841-Y867 PolarHBondContact OG1-OH 3Å
842	V	93.5	Very high	91.4	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	17%	0.169	C	C	.	.	H	α-helix	trans	-68.1	-43.9	174.2	-177.2	0	0	0	0	110.3	E512 Y515 V821 Y838 D839 Y845 L846	E512-V842 HydrophobicContact CG-CG1 4.41Å; E512-V842 HydrophobicContact CG-CG2 4.21Å; Y515-V842 HydrophobicContact CE2-CG2 3.97Å; V821-V842 HydrophobicContact CG1-CG1 3.99Å; V821-V842 HydrophobicContact CG2-CG1 4.44Å; Y838-V842 HydrophobicContact CD1-CB 4.39Å; Y838-V842 HydrophobicContact CD1-CG1 4.38Å; Y838-V842 HydrophobicContact CE1-CB 4.36Å; Y838-V842 HydrophobicContact CE1-CG1 4.24Å; Y838-V842 HydrophobicContact CE1-CG2 4.47Å; D839-V842 HydrophobicContact CB-CB 4.2Å; D839-V842 HydrophobicContact CB-CG2 3.96Å; D839-V842 PolarHBondContact O-N 2.95Å; V842-Y845 PolarHBondContact O-N 2.98Å; V842-L846 HydrophobicContact CG1-CD1 4.32Å; V842-L846 WeakPolarHBondContact O-CG 3.22Å; V842-L846 PolarHBondContact O-N 3.45Å
843	L	93.7	Very high	91.1	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-67	-42.8	176	-69.9	-179.7	0	0	0	112.5	A641 V643 V821 V825 F836 D839 G840 Y845 L846 V847 T857	A641-L843 HydrophobicContact CB-CD1 4.36Å; V643-L843 HydrophobicContact CB-CD1 4.21Å; V643-L843 HydrophobicContact CB-CD2 4.21Å; V643-L843 HydrophobicContact CG1-CD1 4.27Å; V643-L843 HydrophobicContact CG1-CD2 3.8Å; V821-L843 HydrophobicContact CG1-CD2 4.49Å; V825-L843 HydrophobicContact CG2-CD2 4.19Å; F836-L843 HydrophobicContact CD1-CD2 3.97Å; F836-L843 HydrophobicContact CE1-CD2 4.18Å; D839-L843 WeakPolarHBondContact O-CB 3.19Å; D839-L843 VanDerWaalsContact O-CG 3.3Å; D839-L843 WeakPolarHBondContact O-CG 3.21Å; D839-L843 PolarHBondContact O-N 2.88Å; G840-L843 PolarHBondContact O-N 2.81Å; L843-Y845 VanDerWaalsContact C-N 3.31Å; L843-Y845 PolarHBondContact O-N 3.01Å; L843-L846 PolarHBondContact O-N 3.31Å; L843-V847 WeakPolarHBondContact O-CB 3.3Å; L843-V847 VanDerWaalsContact O-CG2 3.28Å; L843-V847 WeakPolarHBondContact O-CG2 3.24Å; L843-V847 PolarHBondContact O-N 3.38Å; L843-T857 HydrophobicContact CB-CG2 3.9Å
844	D	91.4	Very high	90.8	Very high	59 Å²	59	34.1 Å²	34.1	32%	0.316	17%	0.166	S	C	.	.	H	α-helix	trans	-62.9	-36.3	175.2	-84.7	-0.1	0	0	0	111.9	G840 A848 T857	G840-D844 WeakPolarHBondContact O-CB 3.16Å; G840-D844 PolarHBondContact O-N 2.94Å; D844-A848 VanDerWaalsContact O-CB 3.29Å; D844-A848 WeakPolarHBondContact O-CB 3.25Å; D844-A848 PolarHBondContact O-N 3.08Å; D844-T857 WeakPolarHBondContact OD1-CB 3.38Å; D844-T857 VanDerWaalsContact OD1-CG2 3.26Å; D844-T857 WeakPolarHBondContact OD1-CG2 3.39Å; D844-T857 PolarHBondContact OD1-OG1 3.48Å
845	Y	91.9	Very high	90.6	Very high	36 Å²	36	33.1 Å²	33.1	14%	0.141	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-49.2	171.8	167	-112	0	0	0	111.6	A513 P514 T841 V842 L843 V847 A848 Q849	A513-Y845 HydrophobicContact CB-CE1 3.98Å; P514-Y845 HydrophobicContact CB-CD1 4.05Å; P514-Y845 HydrophobicContact CB-CD2 4.02Å; P514-Y845 HydrophobicContact CB-CE1 3.92Å; P514-Y845 HydrophobicContact CB-CE2 3.9Å; P514-Y845 HydrophobicContact CB-CG 4.1Å; P514-Y845 HydrophobicContact CG-CD1 3.9Å; P514-Y845 HydrophobicContact CG-CD2 3.89Å; P514-Y845 HydrophobicContact CG-CE1 4.3Å; P514-Y845 HydrophobicContact CG-CE2 4.29Å; P514-Y845 HydrophobicContact CG-CG 3.68Å; T841-Y845 WeakPolarHBondContact O-CB 3.23Å; T841-Y845 PolarHBondContact O-N 3.19Å; V842-Y845 PolarHBondContact O-N 2.98Å; L843-Y845 VanDerWaalsContact C-N 3.31Å; L843-Y845 PolarHBondContact O-N 3.01Å; Y845-V847 VanDerWaalsContact C-N 3.33Å; Y845-V847 PolarHBondContact O-N 3.02Å; Y845-A848 PolarHBondContact O-N 2.98Å; Y845-A848 VanDerWaalsContact O-N 3.13Å; Y845-Q849 HydrophobicContact CE2-CB 4.49Å; Y845-Q849 WeakPolarHBondContact O-CB 3.31Å; Y845-Q849 PolarHBondContact O-N 3.09Å
846	L	91.6	Very high	90.4	Very high	45 Å²	45	34.9 Å²	34.9	24%	0.236	17%	0.169	C	C	.	.	H	α-helix	trans	-66.2	-34.5	179.8	-66.9	171.9	0	0	0	112.3	V821 V825 V842 L843 Q849 D850	V821-L846 HydrophobicContact CB-CD1 4.37Å; V821-L846 HydrophobicContact CG1-CD1 3.5Å; V825-L846 HydrophobicContact CG2-CD1 3.92Å; V842-L846 HydrophobicContact CG1-CD1 4.32Å; V842-L846 WeakPolarHBondContact O-CG 3.22Å; V842-L846 PolarHBondContact O-N 3.45Å; L843-L846 PolarHBondContact O-N 3.31Å; L846-Q849 PolarHBondContact O-N 3.23Å; L846-D850 PolarHBondContact O-N 2.96Å
847	V	91.3	Very high	90.1	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.03	18%	0.18	C	C	.	.	H	α-helix	trans	-65	-40.6	170	166.9	0	0	0	0	111.6	V643 L843 Y845 Q849 L855 T857 C906	V643-V847 HydrophobicContact CG2-CG2 3.78Å; L843-V847 WeakPolarHBondContact O-CB 3.3Å; L843-V847 VanDerWaalsContact O-CG2 3.28Å; L843-V847 WeakPolarHBondContact O-CG2 3.24Å; L843-V847 PolarHBondContact O-N 3.38Å; Y845-V847 VanDerWaalsContact C-N 3.33Å; Y845-V847 PolarHBondContact O-N 3.02Å; V847-Q849 VanDerWaalsContact C-N 3.31Å; V847-Q849 PolarHBondContact O-N 3.32Å; V847-L855 HydrophobicContact CG2-CB 3.9Å; V847-T857 HydrophobicContact CG2-CG2 4.35Å; V847-C906 WeakPolarHBondContact O-CB 3.43Å
848	A	89.1	Confident	89.9	Confident	14 Å²	14	37.3 Å²	37.3	12%	0.116	18%	0.184	C	C	.	.	H	α-helix	trans	-69	-30.6	177.5	0	0	0	0	0	112.6	D844 Y845 G904 T905 C906	D844-A848 VanDerWaalsContact O-CB 3.29Å; D844-A848 WeakPolarHBondContact O-CB 3.25Å; D844-A848 PolarHBondContact O-N 3.08Å; Y845-A848 PolarHBondContact O-N 2.98Å; Y845-A848 VanDerWaalsContact O-N 3.13Å; A848-G904 CarbonylContact O-C 3.57Å; A848-G904 VanDerWaalsContact O-CA 3.26Å; A848-G904 WeakPolarHBondContact O-CA 3Å; A848-T905 PolarHBondContact O-N 2.88Å; A848-C906 WeakPolarHBondContact O-CB 3.32Å; A848-C906 PolarHBondContact O-N 2.95Å
849	Q	87.8	Confident	89.6	Confident	98 Å²	98	38.8 Å²	38.8	46%	0.458	20%	0.202	S	C	.	.	H	α-helix	trans	-84.7	-16.5	-176.8	-164.8	63.5	27.2	0	0	113.7	Y845 L846 V847 E851	Y845-Q849 HydrophobicContact CE2-CB 4.49Å; Y845-Q849 WeakPolarHBondContact O-CB 3.31Å; Y845-Q849 PolarHBondContact O-N 3.09Å; L846-Q849 PolarHBondContact O-N 3.23Å; V847-Q849 VanDerWaalsContact C-N 3.31Å; V847-Q849 PolarHBondContact O-N 3.32Å; Q849-E851 PolarHBondContact O-N 3.06Å
850	D	86.8	Confident	89.4	Confident	22 Å²	22	42.8 Å²	42.8	12%	0.118	23%	0.23	C	C	.	.			trans	-60.8	123	178.9	-179.8	22.5	0	0	0	112.5	L846 D852 C853 R854 L855	L846-D850 PolarHBondContact O-N 2.96Å; D850-D852 PolarHBondContact OD1-N 3.46Å; D850-C853 WeakPolarHBondContact OD2-CA 3.09Å; D850-C853 PolarHBondContact OD2-N 3.45Å; D850-R854 PolarHBondContact OD2-N 3.32Å; D850-L855 HydrophobicContact CB-CD1 4.37Å; D850-L855 PolarHBondContact OD2-N 2.97Å
851	E	82.4	Confident	89.3	Confident	171 Å²	171	46.5 Å²	46.5	80%	0.799	24%	0.244	S	C	*	.	S	Bend	trans	-68.9	-34.2	-177.5	-60.5	-169.9	163.7	0	0	112.5	Q849	Q849-E851 PolarHBondContact O-N 3.06Å
852	D	80.9	Confident	89.2	Confident	88 Å²	88	48.5 Å²	48.5	47%	0.471	25%	0.25	S	S	.	.	S	Bend	trans	-85.6	-18.4	-178	-68.6	-35.9	0	0	0	113	D850 R854	D850-D852 PolarHBondContact OD1-N 3.46Å; D852-R854 VanDerWaalsContact C-N 3.26Å; D852-R854 HydrophobicContact CB-CB 4.35Å; D852-R854 HydrophobicContact CB-CG 3.78Å; D852-R854 PolarHBondContact O-N 3.49Å; D852-R854 IonicContact OD2-CZ 2.7Å; D852-R854 IonicContact OD2-NE 3.56Å; D852-R854 PolarHBondContact OD2-NE 2.99Å; D852-R854 IonicContact OD2-NH2 2.69Å; D852-R854 PolarHBondContact OD2-NH2 3.02Å
853	C	85.6	Confident	88.9	Confident	11 Å²	11	50.5 Å²	50.5	7%	0.074	27%	0.267	C	S	.	.			trans	55.6	36.5	-167.4	-69.4	0	0	0	0	113.9	D850 C906 Q911	D850-C853 WeakPolarHBondContact OD2-CA 3.09Å; D850-C853 PolarHBondContact OD2-N 3.45Å; C853-C906 HydrophobicContact CB-CB 4.35Å; C853-C906 WeakPolarHBondContact CB-SG 3.45Å; C853-C906 VanDerWaalsContact SG-CA 3.56Å; C853-C906 WeakPolarHBondContact SG-CB 3.44Å; C853-C906 CovalentContact SG-SG 2.03Å; C853-C906 PolarHBondContact SG-SG 3.34Å; C853-Q911 PolarHBondContact SG-NE2 3.04Å
854	R	86.2	Confident	88.7	Confident	109 Å²	109	56.6 Å²	56.6	41%	0.411	30%	0.297	S	S	.	.			trans	-82.3	-16.5	176.5	-76.3	-175.9	-66.9	134.4	-6	112.8	A645 K646 L829 D850 D852	A645-R854 CarbonylContact C-O 3.36Å; A645-R854 WeakPolarHBondContact CA-O 3.44Å; K646-R854 WeakPolarHBondContact CB-O 3.33Å; K646-R854 PolarHBondContact N-O 2.77Å; L829-R854 HydrophobicContact CD2-CB 4.09Å; D850-R854 PolarHBondContact OD2-N 3.32Å; D852-R854 VanDerWaalsContact C-N 3.26Å; D852-R854 HydrophobicContact CB-CB 4.35Å; D852-R854 HydrophobicContact CB-CG 3.78Å; D852-R854 PolarHBondContact O-N 3.49Å; D852-R854 IonicContact OD2-CZ 2.7Å; D852-R854 IonicContact OD2-NE 3.56Å; D852-R854 PolarHBondContact OD2-NE 2.99Å; D852-R854 IonicContact OD2-NH2 2.69Å; D852-R854 PolarHBondContact OD2-NH2 3.02Å
855	L	89.8	Confident	88.7	Confident	6 Å²	6	55.7 Å²	55.7	3%	0.031	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	152.1	178	-65.5	160.6	0	0	0	112.7	V643 V825 V828 L829 V847 D850	V643-L855 HydrophobicContact CG2-CB 4.23Å; V643-L855 HydrophobicContact CG2-CD2 4.05Å; V825-L855 HydrophobicContact CG1-CD1 3.34Å; V825-L855 HydrophobicContact CG1-CD2 4.31Å; V825-L855 HydrophobicContact CG1-CG 4.46Å; V828-L855 HydrophobicContact CG1-CD2 4.07Å; L829-L855 HydrophobicContact CD1-CD1 4.15Å; L829-L855 HydrophobicContact CD2-CD1 4.05Å; L829-L855 HydrophobicContact CD2-CD2 3.95Å; L829-L855 HydrophobicContact CD2-CG 3.74Å; L829-L855 HydrophobicContact CG-CD1 4.05Å; L829-L855 HydrophobicContact CG-CD2 4.05Å; L829-L855 HydrophobicContact CG-CG 4.13Å; V847-L855 HydrophobicContact CG2-CB 3.9Å; D850-L855 HydrophobicContact CB-CD1 4.37Å; D850-L855 PolarHBondContact OD2-N 2.97Å
856	M	88.8	Confident	88.8	Confident	36 Å²	36	54.1 Å²	54.1	18%	0.177	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	144.6	169.3	58.5	-171	-72.4	0	0	111.7	V643 V644 K646 F767 V858	V643-M856 WeakPolarHBondContact CA-O 3.21Å; V643-M856 WeakPolarHBondContact CG2-O 3.29Å; V644-M856 HydrophobicContact CG2-CG 3.74Å; V644-M856 PolarHBondContact N-O 3.4Å; V644-M856 PolarHBondContact O-N 2.95Å; K646-M856 HydrophobicContact CD-SD 4.41Å; K646-M856 HydrophobicContact CG-CG 4.28Å; K646-M856 HydrophobicContact CG-SD 3.73Å; F767-M856 HydrophobicContact CB-SD 4.1Å; F767-M856 HydrophobicContact CD1-CE 4.3Å; F767-M856 HydrophobicContact CD1-SD 3.87Å; F767-M856 HydrophobicContact CD2-CE 3.77Å; F767-M856 HydrophobicContact CD2-SD 3.89Å; F767-M856 HydrophobicContact CE1-CE 4.15Å; F767-M856 HydrophobicContact CE1-SD 4.26Å; F767-M856 HydrophobicContact CE2-CE 3.6Å; F767-M856 HydrophobicContact CE2-SD 4.28Å; F767-M856 HydrophobicContact CG-CE 4.13Å; F767-M856 HydrophobicContact CG-SD 3.68Å; F767-M856 HydrophobicContact CZ-CE 3.81Å; F767-M856 HydrophobicContact CZ-SD 4.46Å; M856-V858 HydrophobicContact CE-CG1 3.93Å; M856-V858 HydrophobicContact CG-CG1 4.33Å
857	T	91.4	Very high	89	Confident	39 Å²	39	52 Å²	52	24%	0.239	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	142.3	168	36.5	0	0	0	0	110.5	A641 I642 V643 L843 D844 V847	A641-T857 HydrophobicContact CB-CG2 4.43Å; I642-T857 CarbonylContact O-C 3.59Å; I642-T857 VanDerWaalsContact O-CA 3.3Å; I642-T857 WeakPolarHBondContact O-CA 3.43Å; V643-T857 HydrophobicContact CB-CG2 4.44Å; L843-T857 HydrophobicContact CB-CG2 3.9Å; D844-T857 WeakPolarHBondContact OD1-CB 3.38Å; D844-T857 VanDerWaalsContact OD1-CG2 3.26Å; D844-T857 WeakPolarHBondContact OD1-CG2 3.39Å; D844-T857 PolarHBondContact OD1-OG1 3.48Å; V847-T857 HydrophobicContact CG2-CG2 4.35Å
858	V	90.4	Very high	89.1	Confident	13 Å²	13	51.8 Å²	51.8	8%	0.079	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	150	-174.8	-70.2	0	0	0	0	112.9	I642 V644 F767 F770 M856	I642-V858 HydrophobicContact CB-CG2 4.15Å; I642-V858 HydrophobicContact CG2-CG2 4.09Å; I642-V858 PolarHBondContact O-N 3Å; V644-V858 HydrophobicContact CG1-CG2 3.82Å; V644-V858 HydrophobicContact CG2-CB 4.47Å; V644-V858 HydrophobicContact CG2-CG1 3.67Å; V644-V858 HydrophobicContact CG2-CG2 3.93Å; F767-V858 HydrophobicContact CD2-CG1 4.41Å; F770-V858 HydrophobicContact CB-CG2 4.38Å; F770-V858 HydrophobicContact CD2-CG2 4.11Å; M856-V858 HydrophobicContact CE-CG1 3.93Å; M856-V858 HydrophobicContact CG-CG1 4.33Å
859	G	88.1	Confident	89.5	Confident	39 Å²	39	51.1 Å²	51.1	40%	0.402	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	79.4	175.5	-179	0	0	0	0	0	114	F770 S771	F770-G859 WeakPolarHBondContact O-CA 3.49Å; F770-G859 PolarHBondContact O-N 2.98Å; S771-G859 WeakPolarHBondContact O-CA 3.47Å
860	S	90.9	Very high	89.9	Confident	89 Å²	89	46.5 Å²	46.5	62%	0.622	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	142.3	170.6	55.2	0	0	0	0	111.4	S771 Y862	S771-S860 PolarHBondContact O-N 3Å; S771-S860 VanDerWaalsContact O-N 3.12Å; S860-Y862 PolarHBondContact O-N 3.15Å
861	W	91.1	Very high	90.3	Very high	78 Å²	78	45.4 Å²	45.4	30%	0.295	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	128.5	172.7	-68.3	3	0	0	0	110.2	I640 T841 M864	I640-W861 WeakPolarHBondContact O-CA 3.4Å; T841-W861 HydrophobicContact CG2-CH2 4.12Å; W861-M864 HydrophobicContact CB-CG 4.11Å; W861-M864 HydrophobicContact CE3-CE 4.23Å
862	Y	91.2	Very high	90.8	Very high	57 Å²	57	38.5 Å²	38.5	22%	0.224	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	146.8	177.2	-176.3	-89	0	0	0	110.7	I640 L773 T801 F806 S860 M864	I640-Y862 HydrophobicContact CD1-CD1 4.42Å; I640-Y862 PolarHBondContact N-O 2.92Å; I640-Y862 PolarHBondContact O-N 3.17Å; L773-Y862 HydrophobicContact CB-CD2 4.1Å; L773-Y862 HydrophobicContact CB-CG 3.93Å; L773-Y862 HydrophobicContact CD2-CD1 3.51Å; L773-Y862 HydrophobicContact CD2-CD2 4.29Å; L773-Y862 HydrophobicContact CD2-CE1 3.98Å; L773-Y862 HydrophobicContact CD2-CG 3.69Å; L773-Y862 HydrophobicContact CG-CG 4.47Å; T801-Y862 HydrophobicContact CG2-CE1 4.33Å; F806-Y862 AromaticContact CE2-CE1 3.93Å; F806-Y862 HydrophobicContact CE2-CE1 3.93Å; F806-Y862 HydrophobicContact CE2-CE2 4.18Å; F806-Y862 AromaticContact CE2-CZ 3.63Å; F806-Y862 AromaticContact CZ-CE2 3.93Å; F806-Y862 HydrophobicContact CZ-CE2 3.93Å; F806-Y862 AromaticContact CZ-CZ 3.79Å; S860-Y862 PolarHBondContact O-N 3.15Å; Y862-M864 PolarHBondContact O-N 2.97Å
863	A	87.4	Confident	91.2	Very high	44 Å²	44	39.4 Å²	39.4	36%	0.364	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	49.2	56.7	-180	0	0	0	0	0	113.3	T865	A863-T865 PolarHBondContact O-N 2.88Å
864	M	89.4	Confident	91.3	Very high	130 Å²	130	45.8 Å²	45.8	64%	0.64	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-57.2	129.6	175.2	-66.8	-177.6	72.3	0	0	111	T638 W861 Y862	T638-M864 CarbonylContact O-C 3.59Å; T638-M864 WeakPolarHBondContact O-CA 3.43Å; W861-M864 HydrophobicContact CB-CG 4.11Å; W861-M864 HydrophobicContact CE3-CE 4.23Å; Y862-M864 PolarHBondContact O-N 2.97Å
865	T	91.3	Very high	91.4	Very high	40 Å²	40	41.5 Å²	41.5	25%	0.245	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	-161.3	-177.8	-172.5	0	0	0	0	108.1	M620 I621 E637 T638 A863	M620-T865 HydrophobicContact CB-CG2 4.23Å; M620-T865 HydrophobicContact CG-CG2 4.21Å; M620-T865 HydrophobicContact SD-CG2 4.04Å; I621-T865 PolarHBondContact O-OG1 3.39Å; E637-T865 WeakPolarHBondContact CA-O 3.5Å; T638-T865 HydrophobicContact CG2-CG2 4.4Å; T638-T865 PolarHBondContact N-O 3.39Å; T638-T865 PolarHBondContact O-N 3.36Å; A863-T865 PolarHBondContact O-N 2.88Å
866	G	93.6	Very high	91.3	Very high	3 Å²	3	47.3 Å²	47.3	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	171.1	167.4	0	0	0	0	0	112.6	I621 M636	I621-G866 WeakPolarHBondContact CG1-O 3.4Å; I621-G866 PolarHBondContact N-O 2.88Å; M636-G866 CarbonylContact O-C 3.58Å; M636-G866 WeakPolarHBondContact O-CA 3.29Å
867	Y	95.3	Very high	91.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	127.9	169.2	-52.6	-64.3	0	0	0	109.8	Y515 S618 M620 P634 F635 M636 T638 D839 T841	Y515-Y867 HydrophobicContact CE1-CD2 4.3Å; Y515-Y867 HydrophobicContact CE1-CE2 4.01Å; Y515-Y867 HydrophobicContact CE2-CE2 4.09Å; Y515-Y867 AromaticContact CZ-CE2 3.51Å; Y515-Y867 AromaticContact CZ-CZ 3.97Å; Y515-Y867 VanDerWaalsContact OH-CE2 3.23Å; Y515-Y867 WeakPolarHBondContact OH-CE2 3.27Å; S618-Y867 VanDerWaalsContact CA-CD1 3.44Å; S618-Y867 VanDerWaalsContact CB-CE1 3.4Å; S618-Y867 WeakPolarHBondContact O-CD1 3.37Å; S618-Y867 WeakPolarHBondContact O-CE1 3.23Å; M620-Y867 HydrophobicContact CG-CD1 4.16Å; M620-Y867 HydrophobicContact CG-CE1 3.99Å; P634-Y867 CarbonylContact C-O 3.51Å; P634-Y867 VanDerWaalsContact CA-O 3.24Å; P634-Y867 WeakPolarHBondContact CA-O 3.12Å; F635-Y867 WeakPolarHBondContact CD1-O 3.24Å; F635-Y867 VanDerWaalsContact CE1-CB 3.49Å; F635-Y867 HydrophobicContact CE2-CD2 4.17Å; F635-Y867 HydrophobicContact CE2-CG 4.46Å; F635-Y867 HydrophobicContact CZ-CD2 4.27Å; F635-Y867 HydrophobicContact CZ-CG 4.13Å; F635-Y867 PolarHBondContact N-O 3.41Å; M636-Y867 HydrophobicContact CB-CD2 4.15Å; M636-Y867 HydrophobicContact CG-CD2 4.47Å; M636-Y867 PolarHBondContact O-N 2.8Å; T638-Y867 HydrophobicContact CG2-CD1 4.36Å; T638-Y867 HydrophobicContact CG2-CD2 4.47Å; T638-Y867 HydrophobicContact CG2-CE1 3.87Å; T638-Y867 HydrophobicContact CG2-CE2 3.95Å; D839-Y867 PolarHBondContact OD1-OH 3.4Å; D839-Y867 VanDerWaalsContact OD1-OH 3.1Å; D839-Y867 VanDerWaalsContact OD2-CE1 3.28Å; D839-Y867 WeakPolarHBondContact OD2-CE1 3.43Å; D839-Y867 VanDerWaalsContact OD2-CZ 3.3Å; D839-Y867 PolarHBondContact OD2-OH 2.98Å; T841-Y867 PolarHBondContact OG1-OH 3Å
868	G	94.6	Very high	91.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.			trans	-114.6	147.2	175.2	0	0	0	0	0	110.8	L619 A870	L619-G868 PolarHBondContact O-N 2.91Å; G868-A870 PolarHBondContact O-N 2.85Å
869	L	95.8	Very high	91.5	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.281	C	S	.	.			trans	-64.3	128.9	159.9	-45.6	173.4	0	0	0	106.7	F574 M614 L616 F631 S632 F635 F871 F881	F574-L869 HydrophobicContact CE2-CD1 3.95Å; F574-L869 HydrophobicContact CZ-CD1 3.97Å; M614-L869 HydrophobicContact CE-CB 4.06Å; M614-L869 HydrophobicContact CE-CD1 3.93Å; M614-L869 HydrophobicContact CE-CD2 3.9Å; M614-L869 HydrophobicContact CE-CG 4.18Å; L616-L869 HydrophobicContact CD1-CD2 3.45Å; L616-L869 VanDerWaalsContact CD1-CD2 3.45Å; F631-L869 CarbonylContact C-O 3.55Å; F631-L869 WeakPolarHBondContact CA-O 3.38Å; S632-L869 PolarHBondContact N-O 2.95Å; S632-L869 WeakPolarHBondContact OG-CB 3.46Å; S632-L869 WeakPolarHBondContact OG-CG 3.49Å; S632-L869 PolarHBondContact OG-N 2.87Å; F635-L869 HydrophobicContact CD1-CD2 4.27Å; F635-L869 HydrophobicContact CE1-CD2 4.43Å; L869-F871 HydrophobicContact CB-CE2 3.75Å; L869-F871 HydrophobicContact CB-CZ 4.15Å; L869-F871 HydrophobicContact CD1-CE2 4.44Å; L869-F871 HydrophobicContact CD1-CZ 4.35Å; L869-F881 HydrophobicContact CD1-CB 4.1Å; L869-F881 HydrophobicContact CD1-CD1 3.83Å; L869-F881 HydrophobicContact CD1-CG 4.32Å
870	A	96.1	Very high	91.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	136.4	175.4	0	0	0	0	0	110.3	L607 M614 V615 L619 V629 F631 G868	L607-A870 HydrophobicContact CD1-CB 3.64Å; M614-A870 CarbonylContact C-O 3.08Å; M614-A870 WeakPolarHBondContact CA-O 3.41Å; V615-A870 HydrophobicContact CB-CB 4.32Å; V615-A870 PolarHBondContact N-O 3.48Å; V615-A870 PolarHBondContact O-N 3.28Å; L619-A870 HydrophobicContact CD2-CB 3.61Å; V629-A870 HydrophobicContact CG2-CB 4.41Å; F631-A870 HydrophobicContact CD1-CB 3.99Å; F631-A870 HydrophobicContact CE1-CB 3.79Å; F631-A870 HydrophobicContact CZ-CB 4.38Å; G868-A870 PolarHBondContact O-N 2.85Å
871	F	95.8	Very high	91.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	159.1	178.5	-61.3	-88.1	0	0	0	110.3	M614 V629 D630 L869 V878 F881	M614-F871 HydrophobicContact CB-CD1 3.98Å; M614-F871 HydrophobicContact CB-CE1 4.03Å; M614-F871 HydrophobicContact CE-CE1 4.16Å; M614-F871 HydrophobicContact CE-CZ 3.95Å; M614-F871 HydrophobicContact CG-CD1 3.93Å; M614-F871 HydrophobicContact CG-CE1 3.61Å; M614-F871 HydrophobicContact CG-CZ 4.2Å; M614-F871 HydrophobicContact SD-CE1 3.65Å; M614-F871 HydrophobicContact SD-CZ 4.07Å; V629-F871 WeakPolarHBondContact CB-O 3.28Å; D630-F871 PolarHBondContact N-O 3Å; D630-F871 VanDerWaalsContact N-O 3.08Å; D630-F871 PolarHBondContact O-N 3.4Å; L869-F871 HydrophobicContact CB-CE2 3.75Å; L869-F871 HydrophobicContact CB-CZ 4.15Å; L869-F871 HydrophobicContact CD1-CE2 4.44Å; L869-F871 HydrophobicContact CD1-CZ 4.35Å; F871-V878 HydrophobicContact CB-CG2 4.01Å; F871-V878 HydrophobicContact CD2-CB 4.46Å; F871-V878 HydrophobicContact CD2-CG2 3.81Å; F871-V878 HydrophobicContact CG-CG2 4.03Å; F871-F881 HydrophobicContact CE1-CD2 4.07Å; F871-F881 HydrophobicContact CE1-CE2 4.22Å; F871-F881 HydrophobicContact CE1-CG 4.43Å; F871-F881 HydrophobicContact CE2-CB 4.4Å; F871-F881 HydrophobicContact CZ-CB 3.93Å; F871-F881 HydrophobicContact CZ-CD1 4.23Å; F871-F881 AromaticContact CZ-CD2 3.76Å; F871-F881 HydrophobicContact CZ-CD2 3.76Å; F871-F881 HydrophobicContact CZ-CE2 4.3Å; F871-F881 AromaticContact CZ-CG 3.71Å; F871-F881 HydrophobicContact CZ-CG 3.71Å
872	S	92.4	Very high	92	Very high	26 Å²	26	48.6 Å²	48.6	18%	0.182	24%	0.243	C	C	.	.			trans	-57.5	146.8	168.8	56.6	0	0	0	0	111.5	D613 N874 S875	D613-S872 PolarHBondContact O-N 3.32Å; S872-N874 PolarHBondContact O-N 3.41Å; S872-S875 WeakPolarHBondContact O-CB 3.33Å; S872-S875 PolarHBondContact O-N 2.88Å; S872-S875 VanDerWaalsContact O-N 3.08Å
873	R	90.1	Very high	92.2	Very high	106 Å²	106	51.8 Å²	51.8	40%	0.4	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	132.7	-173.6	-171.7	57.7	139	-155.4	-12.7	112.2	E626 A627 V629 D630	E626-R873 PolarHBondContact O-NH1 3.01Å; E626-R873 PolarHBondContact O-NH2 2.85Å; A627-R873 VanDerWaalsContact C-NH2 3.26Å; A627-R873 PolarHBondContact O-NH2 3.23Å; V629-R873 PolarHBondContact O-NH1 2.95Å; D630-R873 WeakPolarHBondContact OD1-CD 3.33Å; D630-R873 IonicContact OD1-CZ 3.69Å; D630-R873 IonicContact OD1-NE 2.7Å; D630-R873 IonicContact OD1-NH1 3.91Å; D630-R873 PolarHBondContact OD1-NH1 3.34Å
874	N	88.5	Confident	92.6	Very high	145 Å²	145	52.6 Å²	52.6	78%	0.775	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	33.1	-170.1	-55	-36.6	0	0	0	114.1	D630 S872	D630-N874 WeakPolarHBondContact OD2-CA 3.41Å; D630-N874 PolarHBondContact OD2-N 3.01Å; S872-N874 PolarHBondContact O-N 3.41Å
875	S	88.1	Confident	92.9	Very high	20 Å²	20	46.4 Å²	46.4	14%	0.14	22%	0.222	C	C	.	.			trans	-66.4	135	179.1	167.8	0	0	0	0	113	S872 Y877	S872-S875 WeakPolarHBondContact O-CB 3.33Å; S872-S875 PolarHBondContact O-N 2.88Å; S872-S875 VanDerWaalsContact O-N 3.08Å; S875-Y877 PolarHBondContact O-N 3.03Å; S875-Y877 WeakPolarHBondContact OG-CD2 3.29Å; S875-Y877 PolarHBondContact OG-N 3.33Å
876	K	87	Confident	93.1	Very high	127 Å²	127	48.5 Å²	48.5	55%	0.552	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.4	176.3	71.7	-179.8	-175.4	-176	0	113.6	E306	E306-K876 IonicContact OE1-NZ 3.05Å; E306-K876 PolarHBondContact OE1-NZ 2.9Å; E306-K876 IonicContact OE2-NZ 2.72Å; E306-K876 PolarHBondContact OE2-NZ 3.49Å
877	Y	89.5	Confident	93.2	Very high	25 Å²	25	51 Å²	51	10%	0.098	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-22.4	-170.6	-56.7	-63.5	0	0	0	114.3	F503 L505 S875 Q879 M880 F881	F503-Y877 AromaticContact CD2-CE1 3.66Å; F503-Y877 HydrophobicContact CD2-CE1 3.66Å; F503-Y877 AromaticContact CD2-CZ 4Å; F503-Y877 AromaticContact CE2-CD1 3.83Å; F503-Y877 HydrophobicContact CE2-CD1 3.83Å; F503-Y877 AromaticContact CE2-CE1 3.35Å; F503-Y877 HydrophobicContact CE2-CE1 3.35Å; F503-Y877 HydrophobicContact CZ-CD1 4.23Å; F503-Y877 HydrophobicContact CZ-CE1 4.01Å; L505-Y877 HydrophobicContact CD2-CD2 3.98Å; L505-Y877 HydrophobicContact CD2-CE1 4.3Å; L505-Y877 HydrophobicContact CD2-CE2 3.47Å; L505-Y877 VanDerWaalsContact CD2-CE2 3.47Å; S875-Y877 PolarHBondContact O-N 3.03Å; S875-Y877 WeakPolarHBondContact OG-CD2 3.29Å; S875-Y877 PolarHBondContact OG-N 3.33Å; Y877-Q879 PolarHBondContact O-N 2.86Å; Y877-M880 WeakPolarHBondContact O-CB 3.38Å; Y877-M880 PolarHBondContact O-N 3.49Å; Y877-F881 WeakPolarHBondContact O-CD2 3.22Å; Y877-F881 PolarHBondContact O-N 2.92Å
878	V	93.3	Very high	93.2	Very high	19 Å²	19	51 Å²	51	12%	0.115	24%	0.241	C	C	.	.	H	α-helix	trans	-54.8	-47.2	-170	-172.8	0	0	0	0	112.5	D630 F871 M880 N882	D630-V878 HydrophobicContact CB-CG2 3.92Å; F871-V878 HydrophobicContact CB-CG2 4.01Å; F871-V878 HydrophobicContact CD2-CB 4.46Å; F871-V878 HydrophobicContact CD2-CG2 3.81Å; F871-V878 HydrophobicContact CG-CG2 4.03Å; V878-M880 VanDerWaalsContact C-N 3.33Å; V878-M880 PolarHBondContact O-N 2.93Å; V878-N882 VanDerWaalsContact O-CB 3.31Å; V878-N882 WeakPolarHBondContact O-CB 3.49Å; V878-N882 VanDerWaalsContact O-CG 3.26Å; V878-N882 PolarHBondContact O-N 3.36Å
879	Q	92.1	Very high	93.2	Very high	171 Å²	171	55.1 Å²	55.1	80%	0.799	26%	0.257	S	S	*	.	H	α-helix	trans	-66.9	-33.4	-179.7	-64.6	-174.4	-3.4	0	0	113	Y877 K883	Y877-Q879 PolarHBondContact O-N 2.86Å; Q879-K883 PolarHBondContact O-N 3.37Å; Q879-K883 VanDerWaalsContact O-N 3.09Å
880	M	91	Very high	93.1	Very high	77 Å²	77	59.2 Å²	59.2	38%	0.379	29%	0.291	S	S	.	.	H	α-helix	trans	-70	-45.7	-180	-175.3	171.4	177.2	0	0	110.9	F503 L578 Y877 V878 R884	F503-M880 HydrophobicContact CE1-CE 3.85Å; F503-M880 HydrophobicContact CZ-CE 4.04Å; F503-M880 HydrophobicContact CZ-SD 4.5Å; L578-M880 HydrophobicContact CB-CE 4.12Å; L578-M880 HydrophobicContact CD1-CG 4.15Å; L578-M880 HydrophobicContact CD2-CE 3.77Å; L578-M880 HydrophobicContact CD2-CG 3.71Å; L578-M880 HydrophobicContact CG-CE 4.37Å; Y877-M880 WeakPolarHBondContact O-CB 3.38Å; Y877-M880 PolarHBondContact O-N 3.49Å; V878-M880 VanDerWaalsContact C-N 3.33Å; V878-M880 PolarHBondContact O-N 2.93Å; M880-R884 PolarHBondContact O-N 3.14Å
881	F	95	Very high	93.1	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-68.7	-42.4	173.8	-81.5	-98.6	0	0	0	112.3	L505 F574 L578 F580 M614 L869 F871 Y877 K883 R884 L885	L505-F881 HydrophobicContact CD1-CE2 4.28Å; L505-F881 HydrophobicContact CD1-CZ 4.02Å; F574-F881 HydrophobicContact CB-CE1 3.94Å; F574-F881 AromaticContact CD1-CD1 3.69Å; F574-F881 HydrophobicContact CD1-CD1 3.69Å; F574-F881 AromaticContact CD1-CE1 3.98Å; F574-F881 HydrophobicContact CD1-CE1 3.98Å; F574-F881 HydrophobicContact CD2-CD1 4.12Å; F574-F881 HydrophobicContact CD2-CE1 4.09Å; F574-F881 AromaticContact CE1-CD1 3.77Å; F574-F881 HydrophobicContact CE1-CD1 3.77Å; F574-F881 HydrophobicContact CE1-CE1 4.49Å; F574-F881 HydrophobicContact CE2-CD1 4.18Å; F574-F881 AromaticContact CG-CD1 3.89Å; F574-F881 HydrophobicContact CG-CD1 3.89Å; F574-F881 AromaticContact CG-CE1 3.77Å; F574-F881 HydrophobicContact CG-CE1 3.77Å; F574-F881 HydrophobicContact CZ-CD1 4.02Å; L578-F881 HydrophobicContact CD1-CD1 4.14Å; L578-F881 HydrophobicContact CD1-CD2 3.93Å; L578-F881 HydrophobicContact CD1-CE1 4.05Å; L578-F881 HydrophobicContact CD1-CE2 3.84Å; L578-F881 HydrophobicContact CD1-CG 4.1Å; L578-F881 HydrophobicContact CD1-CZ 3.91Å; F580-F881 HydrophobicContact CD1-CZ 4.41Å; F580-F881 HydrophobicContact CE1-CE1 4.06Å; F580-F881 HydrophobicContact CE1-CE2 4.49Å; F580-F881 AromaticContact CE1-CZ 3.57Å; F580-F881 HydrophobicContact CE1-CZ 3.57Å; F580-F881 HydrophobicContact CZ-CE1 4.05Å; F580-F881 AromaticContact CZ-CZ 3.7Å; F580-F881 HydrophobicContact CZ-CZ 3.7Å; M614-F881 HydrophobicContact CE-CD1 4.14Å; M614-F881 HydrophobicContact CE-CE1 3.81Å; M614-F881 HydrophobicContact CE-CZ 4.33Å; M614-F881 HydrophobicContact SD-CE1 4.19Å; M614-F881 HydrophobicContact SD-CZ 4.1Å; L869-F881 HydrophobicContact CD1-CB 4.1Å; L869-F881 HydrophobicContact CD1-CD1 3.83Å; L869-F881 HydrophobicContact CD1-CG 4.32Å; F871-F881 HydrophobicContact CE1-CD2 4.07Å; F871-F881 HydrophobicContact CE1-CE2 4.22Å; F871-F881 HydrophobicContact CE1-CG 4.43Å; F871-F881 HydrophobicContact CE2-CB 4.4Å; F871-F881 HydrophobicContact CZ-CB 3.93Å; F871-F881 HydrophobicContact CZ-CD1 4.23Å; F871-F881 AromaticContact CZ-CD2 3.76Å; F871-F881 HydrophobicContact CZ-CD2 3.76Å; F871-F881 HydrophobicContact CZ-CE2 4.3Å; F871-F881 AromaticContact CZ-CG 3.71Å; F871-F881 HydrophobicContact CZ-CG 3.71Å; Y877-F881 WeakPolarHBondContact O-CD2 3.22Å; Y877-F881 PolarHBondContact O-N 2.92Å; F881-K883 VanDerWaalsContact C-N 3.33Å; F881-K883 PolarHBondContact O-N 3.39Å; F881-R884 PolarHBondContact O-N 3.41Å; F881-L885 WeakPolarHBondContact O-CB 3.2Å; F881-L885 PolarHBondContact O-N 2.92Å
882	N	95.7	Very high	93	Very high	30 Å²	30	66 Å²	66	16%	0.16	33%	0.334	C	S	.	.	H	α-helix	trans	-56.8	-44.6	176.4	-80.2	-3.9	0	0	0	112.2	S632 E633 V878 R884 L885 L886	S632-N882 WeakPolarHBondContact CA-OD1 3.2Å; S632-N882 WeakPolarHBondContact CB-OD1 3.44Å; E633-N882 HydrophobicContact CG-CB 4.42Å; E633-N882 PolarHBondContact N-OD1 2.88Å; V878-N882 VanDerWaalsContact O-CB 3.31Å; V878-N882 WeakPolarHBondContact O-CB 3.49Å; V878-N882 VanDerWaalsContact O-CG 3.26Å; V878-N882 PolarHBondContact O-N 3.36Å; N882-R884 PolarHBondContact O-N 3.34Å; N882-L885 PolarHBondContact O-N 3.39Å; N882-L886 WeakPolarHBondContact O-CG 3.38Å; N882-L886 PolarHBondContact O-N 2.94Å
883	K	95	Very high	93.1	Very high	124 Å²	124	66.3 Å²	66.3	54%	0.539	33%	0.334	S	S	.	.	H	α-helix	trans	-58.2	-49.4	177	-172.2	-177.1	-179.3	-87.8	0	111.6	Q879 F881 L886 E887	Q879-K883 PolarHBondContact O-N 3.37Å; Q879-K883 VanDerWaalsContact O-N 3.09Å; F881-K883 VanDerWaalsContact C-N 3.33Å; F881-K883 PolarHBondContact O-N 3.39Å; K883-L886 PolarHBondContact O-N 3.39Å; K883-E887 WeakPolarHBondContact CE-OE1 3.41Å; K883-E887 IonicContact NZ-OE1 3.65Å; K883-E887 PolarHBondContact NZ-OE1 3.2Å; K883-E887 WeakPolarHBondContact O-CG 3.45Å; K883-E887 PolarHBondContact O-N 3.48Å; K883-E887 VanDerWaalsContact O-N 3.09Å
884	R	94.5	Very high	93.3	Very high	61 Å²	61	61.9 Å²	61.9	23%	0.23	32%	0.318	C	S	.	.	H	α-helix	trans	-66.7	-38.1	179.4	-67.6	-47.7	-156.7	149.7	14.7	112.9	F574 E577 L578 M880 F881 N882 L886 E887 F888	F574-R884 HydrophobicContact CD1-CB 4.1Å; F574-R884 HydrophobicContact CE1-CB 3.82Å; E577-R884 PolarHBondContact O-NH2 2.96Å; E577-R884 IonicContact OE2-CZ 2.64Å; E577-R884 VanDerWaalsContact OE2-CZ 3.26Å; E577-R884 IonicContact OE2-NH1 2.7Å; E577-R884 PolarHBondContact OE2-NH1 3.3Å; E577-R884 IonicContact OE2-NH2 2.87Å; L578-R884 HydrophobicContact CD1-CG 4.35Å; L578-R884 HydrophobicContact CD2-CG 3.44Å; L578-R884 VanDerWaalsContact CD2-CG 3.44Å; L578-R884 HydrophobicContact CG-CG 3.96Å; M880-R884 PolarHBondContact O-N 3.14Å; F881-R884 PolarHBondContact O-N 3.41Å; N882-R884 PolarHBondContact O-N 3.34Å; R884-L886 VanDerWaalsContact C-N 3.32Å; R884-L886 PolarHBondContact O-N 2.95Å; R884-E887 WeakPolarHBondContact CD-OE2 3.37Å; R884-E887 IonicContact CZ-OE2 2.74Å; R884-E887 IonicContact NE-OE2 2.66Å; R884-E887 IonicContact NH1-OE2 3.99Å; R884-E887 PolarHBondContact NH1-OE2 3.31Å; R884-E887 CarbonylContact O-C 3.6Å; R884-E887 WeakPolarHBondContact O-CB 3.44Å; R884-E887 PolarHBondContact O-N 2.87Å; R884-E887 VanDerWaalsContact O-N 3.15Å; R884-F888 HydrophobicContact CB-CE1 4.29Å; R884-F888 HydrophobicContact CB-CZ 4.2Å; R884-F888 WeakPolarHBondContact O-CD1 3.28Å; R884-F888 VanDerWaalsContact O-CG 3.23Å; R884-F888 WeakPolarHBondContact O-CG 3.49Å; R884-F888 PolarHBondContact O-N 3.4Å
885	L	95.9	Very high	93.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.3	-37.9	177.8	-175.9	58.5	0	0	0	112.2	F574 E633 F635 F881 N882 F888 R889 L894	F574-L885 HydrophobicContact CE1-CB 4.44Å; F574-L885 HydrophobicContact CZ-CB 4.1Å; F574-L885 HydrophobicContact CZ-CD1 4.19Å; E633-L885 HydrophobicContact CB-CD2 4.31Å; E633-L885 WeakPolarHBondContact O-CD2 3.42Å; F635-L885 HydrophobicContact CB-CD1 3.61Å; F635-L885 HydrophobicContact CB-CD2 3.91Å; F635-L885 HydrophobicContact CB-CG 4.34Å; F881-L885 WeakPolarHBondContact O-CB 3.2Å; F881-L885 PolarHBondContact O-N 2.92Å; N882-L885 PolarHBondContact O-N 3.39Å; L885-F888 PolarHBondContact O-N 2.94Å; L885-R889 WeakPolarHBondContact O-CB 3.29Å; L885-R889 PolarHBondContact O-N 3.37Å; L885-L894 HydrophobicContact CD1-CD1 3.78Å; L885-L894 HydrophobicContact CD1-CD2 4.03Å; L885-L894 HydrophobicContact CD1-CG 4.5Å
886	L	95.1	Very high	93.8	Very high	84 Å²	84	66 Å²	66	44%	0.44	32%	0.322	S	S	.	.	H	α-helix	trans	-67.3	-38	172.6	-68.6	171.3	0	0	0	112	E633 N882 K883 R884 R889 A890	E633-L886 HydrophobicContact CG-CD2 4.49Å; N882-L886 WeakPolarHBondContact O-CG 3.38Å; N882-L886 PolarHBondContact O-N 2.94Å; K883-L886 PolarHBondContact O-N 3.39Å; R884-L886 VanDerWaalsContact C-N 3.32Å; R884-L886 PolarHBondContact O-N 2.95Å; L886-R889 PolarHBondContact O-N 3.41Å; L886-A890 WeakPolarHBondContact O-CB 3.4Å; L886-A890 PolarHBondContact O-N 3.11Å
887	E	95.8	Very high	94.1	Very high	54 Å²	54	61.1 Å²	61.1	25%	0.252	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-43.8	171.3	-69.8	166.5	-174	0	0	111.1	K883 R884 R889 A890 N891	K883-E887 WeakPolarHBondContact CE-OE1 3.41Å; K883-E887 IonicContact NZ-OE1 3.65Å; K883-E887 PolarHBondContact NZ-OE1 3.2Å; K883-E887 WeakPolarHBondContact O-CG 3.45Å; K883-E887 PolarHBondContact O-N 3.48Å; K883-E887 VanDerWaalsContact O-N 3.09Å; R884-E887 WeakPolarHBondContact CD-OE2 3.37Å; R884-E887 IonicContact CZ-OE2 2.74Å; R884-E887 IonicContact NE-OE2 2.66Å; R884-E887 IonicContact NH1-OE2 3.99Å; R884-E887 PolarHBondContact NH1-OE2 3.31Å; R884-E887 CarbonylContact O-C 3.6Å; R884-E887 WeakPolarHBondContact O-CB 3.44Å; R884-E887 PolarHBondContact O-N 2.87Å; R884-E887 VanDerWaalsContact O-N 3.15Å; E887-R889 PolarHBondContact O-N 3.49Å; E887-A890 PolarHBondContact O-N 3.16Å; E887-N891 WeakPolarHBondContact O-CB 3.38Å; E887-N891 PolarHBondContact O-N 2.96Å; E887-N891 PolarHBondContact O-ND2 3.3Å
888	F	95.8	Very high	94.3	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-66.4	-36.1	177.4	-60.6	-4.8	0	0	0	112.6	L570 K573 F574 E577 R884 L885 G892 D893 L894	L570-F888 HydrophobicContact CD1-CD2 3.77Å; L570-F888 HydrophobicContact CD1-CE2 4.02Å; K573-F888 HydrophobicContact CD-CD1 4.5Å; K573-F888 HydrophobicContact CD-CD2 4.35Å; K573-F888 HydrophobicContact CD-CE1 4.32Å; K573-F888 HydrophobicContact CD-CE2 4.12Å; K573-F888 HydrophobicContact CD-CZ 4.11Å; K573-F888 VanDerWaalsContact CE-CE1 3.45Å; K573-F888 HydrophobicContact CG-CE1 4.25Å; K573-F888 HydrophobicContact CG-CE2 4Å; K573-F888 HydrophobicContact CG-CZ 3.75Å; F574-F888 AromaticContact CD1-CE2 3.6Å; F574-F888 HydrophobicContact CD1-CE2 3.6Å; F574-F888 AromaticContact CD1-CZ 3.95Å; F574-F888 HydrophobicContact CD1-CZ 3.95Å; F574-F888 HydrophobicContact CD2-CE2 4.4Å; F574-F888 HydrophobicContact CE1-CD2 4.19Å; F574-F888 AromaticContact CE1-CE2 3.59Å; F574-F888 HydrophobicContact CE1-CE2 3.59Å; F574-F888 HydrophobicContact CE1-CZ 4.19Å; F574-F888 HydrophobicContact CE2-CE2 4.4Å; F574-F888 HydrophobicContact CG-CE2 4.02Å; F574-F888 HydrophobicContact CZ-CD2 4.31Å; F574-F888 HydrophobicContact CZ-CE2 4.01Å; E577-F888 VanDerWaalsContact OE1-CE1 3.27Å; E577-F888 WeakPolarHBondContact OE1-CE1 3.25Å; R884-F888 HydrophobicContact CB-CE1 4.29Å; R884-F888 HydrophobicContact CB-CZ 4.2Å; R884-F888 WeakPolarHBondContact O-CD1 3.28Å; R884-F888 VanDerWaalsContact O-CG 3.23Å; R884-F888 WeakPolarHBondContact O-CG 3.49Å; R884-F888 PolarHBondContact O-N 3.4Å; L885-F888 PolarHBondContact O-N 2.94Å; F888-G892 PolarHBondContact O-N 2.82Å; F888-D893 HydrophobicContact CB-CB 4.28Å; F888-D893 PolarHBondContact O-N 3.5Å; F888-L894 HydrophobicContact CB-CD2 4.15Å; F888-L894 HydrophobicContact CB-CG 4.01Å
889	R	94.1	Very high	94.1	Very high	88 Å²	88	71.2 Å²	71.2	33%	0.332	34%	0.338	S	S	.	.	H	α-helix	trans	-65.1	-43.7	172.3	-174.8	178.6	-109.9	124.3	-2.9	111	P634 E637 L885 L886 E887 G892 L894	P634-R889 VanDerWaalsContact O-CZ 3.3Å; P634-R889 PolarHBondContact O-NH1 2.85Å; P634-R889 PolarHBondContact O-NH2 2.84Å; E637-R889 IonicContact OE1-NH2 3.26Å; L885-R889 WeakPolarHBondContact O-CB 3.29Å; L885-R889 PolarHBondContact O-N 3.37Å; L886-R889 PolarHBondContact O-N 3.41Å; E887-R889 PolarHBondContact O-N 3.49Å; R889-G892 PolarHBondContact O-N 3.1Å; R889-L894 HydrophobicContact CB-CD1 3.88Å
890	A	94.9	Very high	94.1	Very high	86 Å²	86	69.7 Å²	69.7	71%	0.711	33%	0.326	S	S	*	.	H	α-helix	trans	-68.4	-38.3	179.1	0	0	0	0	0	113.3	L886 E887 G892	L886-A890 WeakPolarHBondContact O-CB 3.4Å; L886-A890 PolarHBondContact O-N 3.11Å; E887-A890 PolarHBondContact O-N 3.16Å; A890-G892 PolarHBondContact O-N 3.38Å
891	N	95.3	Very high	94.1	Very high	111 Å²	111	68.1 Å²	68.1	59%	0.594	32%	0.316	S	S	*	.	H	α-helix	trans	-71.4	-17.5	175.9	-68.6	-14.3	0	0	0	113.1	E887 D893	E887-N891 WeakPolarHBondContact O-CB 3.38Å; E887-N891 PolarHBondContact O-N 2.96Å; E887-N891 PolarHBondContact O-ND2 3.3Å; N891-D893 VanDerWaalsContact C-N 3.34Å
892	G	95	Very high	93.8	Very high	31 Å²	31	69.4 Å²	69.4	32%	0.32	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	13.3	-173.7	0	0	0	0	0	114.3	F888 R889 A890 E895 R896	F888-G892 PolarHBondContact O-N 2.82Å; R889-G892 PolarHBondContact O-N 3.1Å; A890-G892 PolarHBondContact O-N 3.38Å; G892-E895 PolarHBondContact O-N 3.47Å; G892-R896 PolarHBondContact O-N 3.36Å
893	D	93.7	Very high	93.3	Very high	34 Å²	34	71.8 Å²	71.8	18%	0.182	34%	0.338	C	S	.	.	H	α-helix	trans	-63.5	-41.5	179.4	-75.3	-41.6	0	0	0	111.4	K573 F888 N891 E895 R896 L897	K573-D893 WeakPolarHBondContact CE-OD2 3.49Å; K573-D893 IonicContact NZ-OD2 2.68Å; K573-D893 PolarHBondContact NZ-OD2 3.3Å; F888-D893 HydrophobicContact CB-CB 4.28Å; F888-D893 PolarHBondContact O-N 3.5Å; N891-D893 VanDerWaalsContact C-N 3.34Å; D893-E895 VanDerWaalsContact C-N 3.31Å; D893-E895 PolarHBondContact O-N 3.34Å; D893-R896 WeakPolarHBondContact O-CA 3.48Å; D893-R896 VanDerWaalsContact O-CB 3.31Å; D893-R896 WeakPolarHBondContact O-CB 3.47Å; D893-R896 PolarHBondContact O-N 2.77Å; D893-L897 PolarHBondContact O-N 3.04Å
894	L	93.9	Very high	92.6	Very high	13 Å²	13	66.4 Å²	66.4	7%	0.068	32%	0.318	C	S	.	.	H	α-helix	trans	-61.1	-39.2	176.3	-58.7	177	0	0	0	112	L570 L885 F888 R889 R896 L897 R898	L570-L894 HydrophobicContact CD1-CD2 3.78Å; L570-L894 HydrophobicContact CD2-CD2 4.44Å; L885-L894 HydrophobicContact CD1-CD1 3.78Å; L885-L894 HydrophobicContact CD1-CD2 4.03Å; L885-L894 HydrophobicContact CD1-CG 4.5Å; F888-L894 HydrophobicContact CB-CD2 4.15Å; F888-L894 HydrophobicContact CB-CG 4.01Å; R889-L894 HydrophobicContact CB-CD1 3.88Å; L894-R896 VanDerWaalsContact C-N 3.32Å; L894-L897 PolarHBondContact O-N 2.96Å; L894-R898 VanDerWaalsContact O-CB 3.28Å; L894-R898 WeakPolarHBondContact O-CB 3.48Å; L894-R898 PolarHBondContact O-N 3.39Å
895	E	93.2	Very high	91.9	Very high	59 Å²	59	68.7 Å²	68.7	28%	0.276	34%	0.339	S	S	.	.	H	α-helix	trans	-69.9	-29.6	175.8	173.6	63	-178.1	0	0	111.8	G892 D893 R898 R899	G892-E895 PolarHBondContact O-N 3.47Å; D893-E895 VanDerWaalsContact C-N 3.31Å; D893-E895 PolarHBondContact O-N 3.34Å; E895-R898 VanDerWaalsContact CD-NH2 3.32Å; E895-R898 IonicContact OE1-NH2 2.85Å; E895-R898 PolarHBondContact OE1-NH2 3.46Å; E895-R898 IonicContact OE2-CZ 3.63Å; E895-R898 IonicContact OE2-NE 2.69Å; E895-R898 PolarHBondContact OE2-NE 3.27Å; E895-R898 IonicContact OE2-NH2 3.61Å; E895-R898 PolarHBondContact OE2-NH2 3.01Å; E895-R899 VanDerWaalsContact CG-NH2 3.33Å; E895-R899 WeakPolarHBondContact O-CB 3.45Å; E895-R899 VanDerWaalsContact O-CG 3.23Å; E895-R899 WeakPolarHBondContact O-CG 3.3Å; E895-R899 PolarHBondContact O-N 3.5Å; E895-R899 IonicContact OE1-CZ 2.79Å; E895-R899 IonicContact OE1-NE 3.51Å; E895-R899 PolarHBondContact OE1-NE 3.19Å; E895-R899 IonicContact OE1-NH2 3.3Å; E895-R899 PolarHBondContact OE1-NH2 3.01Å
896	R	94.9	Very high	91	Very high	191 Å²	191	69.1 Å²	69.1	72%	0.721	34%	0.342	S	S	*	.	H	α-helix	trans	-69.6	-46.4	173.3	-166	-177.1	-162.7	147.3	2.4	111.6	G892 D893 L894 R899 Y900	G892-R896 PolarHBondContact O-N 3.36Å; D893-R896 WeakPolarHBondContact O-CA 3.48Å; D893-R896 VanDerWaalsContact O-CB 3.31Å; D893-R896 WeakPolarHBondContact O-CB 3.47Å; D893-R896 PolarHBondContact O-N 2.77Å; L894-R896 VanDerWaalsContact C-N 3.32Å; R896-R899 PolarHBondContact O-N 3.12Å; R896-Y900 PolarHBondContact O-N 3.21Å
897	L	93.6	Very high	89.7	Confident	26 Å²	26	72 Å²	72	14%	0.136	35%	0.347	C	S	.	.	H	α-helix	trans	-62.8	-43.1	174.3	-67.2	-179.3	0	0	0	111.2	F566 D569 L570 D893 L894 R899 Y900 W901	F566-L897 HydrophobicContact CD2-CB 3.76Å; F566-L897 HydrophobicContact CE2-CB 3.53Å; F566-L897 HydrophobicContact CZ-CB 4.35Å; D569-L897 HydrophobicContact CB-CD1 4.27Å; D569-L897 HydrophobicContact CB-CD2 3.67Å; L570-L897 HydrophobicContact CB-CD1 4.21Å; D893-L897 PolarHBondContact O-N 3.04Å; L894-L897 PolarHBondContact O-N 2.96Å; L897-R899 VanDerWaalsContact C-N 3.33Å; L897-R899 PolarHBondContact O-N 3.29Å; L897-Y900 PolarHBondContact O-N 3.22Å; L897-W901 PolarHBondContact O-N 3.13Å
898	R	91.7	Very high	88	Confident	107 Å²	107	75.2 Å²	75.2	40%	0.404	37%	0.372	S	S	.	.	H	α-helix	trans	-59	-44.7	176.7	-166.4	-177.6	71.1	94.6	1	111.2	F566 M636 L894 E895 Y900 M902	F566-R898 HydrophobicContact CE2-CB 4.21Å; M636-R898 HydrophobicContact CE-CB 4.22Å; M636-R898 HydrophobicContact CE-CG 3.84Å; L894-R898 VanDerWaalsContact O-CB 3.28Å; L894-R898 WeakPolarHBondContact O-CB 3.48Å; L894-R898 PolarHBondContact O-N 3.39Å; E895-R898 VanDerWaalsContact CD-NH2 3.32Å; E895-R898 IonicContact OE1-NH2 2.85Å; E895-R898 PolarHBondContact OE1-NH2 3.46Å; E895-R898 IonicContact OE2-CZ 3.63Å; E895-R898 IonicContact OE2-NE 2.69Å; E895-R898 PolarHBondContact OE2-NE 3.27Å; E895-R898 IonicContact OE2-NH2 3.61Å; E895-R898 PolarHBondContact OE2-NH2 3.01Å; R898-Y900 VanDerWaalsContact C-N 3.3Å; R898-Y900 PolarHBondContact O-N 2.88Å; R898-M902 HydrophobicContact CG-CG 4.48Å; R898-M902 HydrophobicContact CG-SD 3.62Å; R898-M902 VanDerWaalsContact O-CB 3.26Å; R898-M902 WeakPolarHBondContact O-CB 3.46Å; R898-M902 PolarHBondContact O-N 3.37Å
899	R	90.9	Very high	86.1	Confident	149 Å²	149	78.7 Å²	78.7	56%	0.562	41%	0.408	S	S	*	.	H	α-helix	trans	-68.2	-23.7	175.4	-73.4	174.7	-166	167.7	8.9	114.2	E895 R896 L897 T903	E895-R899 VanDerWaalsContact CG-NH2 3.33Å; E895-R899 WeakPolarHBondContact O-CB 3.45Å; E895-R899 VanDerWaalsContact O-CG 3.23Å; E895-R899 WeakPolarHBondContact O-CG 3.3Å; E895-R899 PolarHBondContact O-N 3.5Å; E895-R899 IonicContact OE1-CZ 2.79Å; E895-R899 IonicContact OE1-NE 3.51Å; E895-R899 PolarHBondContact OE1-NE 3.19Å; E895-R899 IonicContact OE1-NH2 3.3Å; E895-R899 PolarHBondContact OE1-NH2 3.01Å; R896-R899 PolarHBondContact O-N 3.12Å; L897-R899 VanDerWaalsContact C-N 3.33Å; L897-R899 PolarHBondContact O-N 3.29Å; R899-T903 HydrophobicContact CB-CG2 4.49Å; R899-T903 WeakPolarHBondContact O-CG2 3.36Å; R899-T903 PolarHBondContact O-OG1 2.92Å
900	Y	91.4	Very high	84	Confident	138 Å²	138	82.8 Å²	82.8	54%	0.541	43%	0.428	S	S	.	.	H	α-helix	trans	-80.4	-46.2	176.6	-178.3	-101.1	0	0	0	111.4	R896 L897 R898	R896-Y900 PolarHBondContact O-N 3.21Å; L897-Y900 PolarHBondContact O-N 3.22Å; R898-Y900 VanDerWaalsContact C-N 3.3Å; R898-Y900 PolarHBondContact O-N 2.88Å
901	W	90.8	Very high	82	Confident	44 Å²	44	82.8 Å²	82.8	17%	0.167	41%	0.414	C	S	.	.	H	α-helix	trans	-87.4	-22.6	-174.3	-71.4	105	0	0	0	115.2	G565 F566 D569 L897	G565-W901 VanDerWaalsContact C-CE2 3.4Å; F566-W901 VanDerWaalsContact CA-CD1 3.48Å; F566-W901 HydrophobicContact CB-CB 4.14Å; F566-W901 HydrophobicContact CB-CG 4Å; D569-W901 VanDerWaalsContact CG-NE1 3.33Å; D569-W901 PolarHBondContact OD2-NE1 2.85Å; L897-W901 PolarHBondContact O-N 3.13Å
902	M	88.7	Confident	79.9	Confident	27 Å²	27	86.2 Å²	86.2	13%	0.133	43%	0.426	C	S	.	.	S	Bend	trans	-118.1	2.9	-169.9	-56.1	175.7	173.9	0	0	115.3	P514 Y515 M636 R898 G904	P514-M902 HydrophobicContact CG-CE 3.77Å; P514-M902 HydrophobicContact CG-CG 3.83Å; Y515-M902 HydrophobicContact CD1-CE 4.25Å; Y515-M902 HydrophobicContact CE1-CE 3.41Å; Y515-M902 VanDerWaalsContact CE1-CE 3.41Å; Y515-M902 HydrophobicContact CE2-CE 4.29Å; Y515-M902 VanDerWaalsContact CZ-CE 3.41Å; Y515-M902 VanDerWaalsContact OH-CE 3.23Å; Y515-M902 WeakPolarHBondContact OH-CE 3.47Å; M636-M902 HydrophobicContact CE-CE 3.72Å; M636-M902 HydrophobicContact CE-SD 3.96Å; M636-M902 HydrophobicContact SD-CE 3.72Å; M636-M902 HydrophobicContact SD-SD 3.98Å; R898-M902 HydrophobicContact CG-CG 4.48Å; R898-M902 HydrophobicContact CG-SD 3.62Å; R898-M902 VanDerWaalsContact O-CB 3.26Å; R898-M902 WeakPolarHBondContact O-CB 3.46Å; R898-M902 PolarHBondContact O-N 3.37Å; M902-G904 PolarHBondContact O-N 3.25Å
903	T	85.6	Confident	77.9	Confident	81 Å²	81	92.3 Å²	92.3	50%	0.497	45%	0.446	S	S	.	.			trans	-90.4	96.5	172.7	63.9	0	0	0	0	111.4	R899	R899-T903 HydrophobicContact CB-CG2 4.49Å; R899-T903 WeakPolarHBondContact O-CG2 3.36Å; R899-T903 PolarHBondContact O-OG1 2.92Å
904	G	80.4	Confident	75.7	Confident	11 Å²	11	97.6 Å²	97.6	11%	0.113	47%	0.467	C	S	.	.			trans	-77.6	-174.2	167.4	0	0	0	0	0	113.9	A848 M902	A848-G904 CarbonylContact O-C 3.57Å; A848-G904 VanDerWaalsContact O-CA 3.26Å; A848-G904 WeakPolarHBondContact O-CA 3Å; M902-G904 PolarHBondContact O-N 3.25Å
905	T	78.5	Confident	73.7	Confident	109 Å²	109	102.5 Å²	102.5	67%	0.669	50%	0.503	S	S	*	.	S	Bend	trans	-73	-37.9	178.3	46.5	0	0	0	0	112.2	A848	A848-T905 PolarHBondContact O-N 2.88Å
906	C	77.3	Confident	71.9	Confident	9 Å²	9	104 Å²	104	6%	0.061	52%	0.52	C	S	.	.			trans	-77.4	139.3	-178.8	-157.1	0	0	0	0	111.7	V847 A848 C853	V847-C906 WeakPolarHBondContact O-CB 3.43Å; A848-C906 WeakPolarHBondContact O-CB 3.32Å; A848-C906 PolarHBondContact O-N 2.95Å; C853-C906 HydrophobicContact CB-CB 4.35Å; C853-C906 WeakPolarHBondContact CB-SG 3.45Å; C853-C906 VanDerWaalsContact SG-CA 3.56Å; C853-C906 WeakPolarHBondContact SG-CB 3.44Å; C853-C906 CovalentContact SG-SG 2.03Å; C853-C906 PolarHBondContact SG-SG 3.34Å
907	R	69.3	Low	70.1	Confident	144 Å²	144	101 Å²	101	54%	0.543	52%	0.518	S	S	.	.			trans	-139.5	102.8	-179.9	-70.7	-173.7	175	168.4	-1.3	110.8	G909 K910	R907-G909 PolarHBondContact O-N 2.88Å; R907-K910 HydrophobicContact CB-CB 4.46Å; R907-K910 PolarHBondContact O-N 3.46Å
908	P	59.6	Low	68.6	Low	121 Å²	121	105.3 Å²	105.3	79%	0.786	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	35.7	-167.2	31.5	-37.7	0	0	0	115.3
909	G	56.1	Low	67.5	Low	73 Å²	73	103.5 Å²	103.5	75%	0.753	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-168.1	16.5	176.4	0	0	0	0	0	114.3	R907	R907-G909 PolarHBondContact O-N 2.88Å
910	K	49.9	Very low	66.3	Low	175 Å²	175	98.8 Å²	98.8	76%	0.761	54%	0.538	S	S	*	.			trans	-139.5	10.3	179.7	-76.1	-164.2	174.4	-173.9	0	114.5	R907 E912	R907-K910 HydrophobicContact CB-CB 4.46Å; R907-K910 PolarHBondContact O-N 3.46Å; K910-E912 PolarHBondContact O-N 3.17Å
911	Q	52.9	Low	65.4	Low	86 Å²	86	98.8 Å²	98.8	40%	0.402	55%	0.547	S	S	.	.			trans	-81	114.6	171.6	-68.7	-169.3	-31.9	0	0	109	C853	C853-Q911 PolarHBondContact SG-NE2 3.04Å
912	E	50.8	Low	64.4	Low	183 Å²	183	104.3 Å²	104.3	86%	0.855	58%	0.575	S	S	*	*			trans	-57.4	135.6	149.9	-63.5	-179.8	147.2	0	0	106.8	K910 K914	K910-E912 PolarHBondContact O-N 3.17Å; E912-K914 PolarHBondContact O-N 3.41Å
913	H	53.7	Low	63.5	Low	159 Å²	159	105.6 Å²	105.6	74%	0.736	58%	0.58	S	S	*	*			trans	-54.5	114	-174.1	-64	-85.7	0	0	0	110.1	S915	H913-S915 PolarHBondContact O-N 3.13Å
914	K	46.4	Very low	63.1	Low	144 Å²	144	106.5 Å²	106.5	63%	0.626	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-55	140.9	167.5	-82.2	-176.8	177.9	175.5	0	107.5	E912 S916	E912-K914 PolarHBondContact O-N 3.41Å; K914-S916 PolarHBondContact O-N 2.9Å; K914-S916 VanDerWaalsContact O-N 3.13Å
915	S	51.5	Low	63.1	Low	117 Å²	117	110.7 Å²	110.7	82%	0.818	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-46.2	118.4	-176.8	50.5	0	0	0	0	111.8	H913 D917	H913-S915 PolarHBondContact O-N 3.13Å; S915-D917 PolarHBondContact O-N 3.04Å
916	S	55.1	Low	63.1	Low	91 Å²	91	106.5 Å²	106.5	64%	0.636	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-54.4	133	176	53.9	0	0	0	0	111.1	K914	K914-S916 PolarHBondContact O-N 2.9Å; K914-S916 VanDerWaalsContact O-N 3.13Å
917	D	58.1	Low	63.2	Low	126 Å²	126	108.6 Å²	108.6	67%	0.674	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-55.3	149.2	178.1	-78.8	-49.3	0	0	0	112.6	S915 L919	S915-D917 PolarHBondContact O-N 3.04Å; D917-L919 PolarHBondContact O-N 2.87Å
918	P	62.5	Low	64	Low	118 Å²	118	107.1 Å²	107.1	77%	0.766	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-62.9	134.1	176.2	27.4	-34.7	0	0	0	110.8	A920	P918-A920 PolarHBondContact O-N 2.99Å
919	L	67.7	Low	65.3	Low	69 Å²	69	106.6 Å²	106.6	36%	0.361	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-58.6	132.7	-176.3	-85.5	78.1	0	0	0	112.2	I651 M761 D917 Q923 F924	I651-L919 HydrophobicContact CD1-CD2 3.94Å; I651-L919 HydrophobicContact CD1-CG 4.41Å; M761-L919 HydrophobicContact CE-CD1 3.77Å; M761-L919 HydrophobicContact CE-CD2 3.58Å; M761-L919 HydrophobicContact CE-CG 4.34Å; M761-L919 HydrophobicContact SD-CD2 4.34Å; D917-L919 PolarHBondContact O-N 2.87Å; L919-Q923 VanDerWaalsContact CB-OE1 3.24Å; L919-Q923 VanDerWaalsContact CG-OE1 3.25Å; L919-F924 HydrophobicContact CB-CE2 3.83Å; L919-F924 HydrophobicContact CB-CZ 4.25Å; L919-F924 HydrophobicContact CD2-CE2 4.38Å; L919-F924 HydrophobicContact CD2-CZ 4.14Å
920	A	66.3	Low	66.7	Low	49 Å²	49	108 Å²	108	41%	0.405	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-78	153.3	-179.3	0	0	0	0	0	111.9	P918 E922 Q923	P918-A920 PolarHBondContact O-N 2.99Å; A920-E922 PolarHBondContact O-N 3.16Å; A920-E922 VanDerWaalsContact O-N 3.11Å; A920-Q923 WeakPolarHBondContact O-CB 3.31Å; A920-Q923 PolarHBondContact O-N 2.75Å
921	L	71.6	Confident	68.6	Low	138 Å²	138	104.4 Å²	104.4	72%	0.723	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-54.3	-34.7	179.4	-167.7	79.3	0	0	0	112.9	Q923 F924 L925 F928	L921-Q923 VanDerWaalsContact C-N 3.25Å; L921-Q923 PolarHBondContact O-N 2.89Å; L921-F924 PolarHBondContact O-N 2.89Å; L921-F924 VanDerWaalsContact O-N 3.1Å; L921-L925 PolarHBondContact O-N 3.2Å; L921-F928 HydrophobicContact CD1-CE2 4.26Å
922	E	69.8	Low	70.3	Confident	160 Å²	160	105.4 Å²	105.4	75%	0.748	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-60.4	-33.2	179.4	-58.6	-173.1	169.4	0	0	112.8	A920 F924 L925	A920-E922 PolarHBondContact O-N 3.16Å; A920-E922 VanDerWaalsContact O-N 3.11Å; E922-F924 PolarHBondContact O-N 3.5Å; E922-L925 WeakPolarHBondContact O-CB 3.45Å; E922-L925 PolarHBondContact O-N 2.98Å; E922-L925 VanDerWaalsContact O-N 3.09Å
923	Q	70.6	Confident	72.3	Confident	54 Å²	54	99.5 Å²	99.5	25%	0.252	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-72.3	-17.8	-179.9	-60.6	167.4	-33.7	0	0	111.8	I651 L919 A920 L921	I651-Q923 HydrophobicContact CB-CB 4.26Å; I651-Q923 HydrophobicContact CB-CG 4.02Å; I651-Q923 HydrophobicContact CD1-CB 4.18Å; I651-Q923 HydrophobicContact CD1-CG 4.05Å; I651-Q923 HydrophobicContact CG1-CG 4.13Å; L919-Q923 VanDerWaalsContact CB-OE1 3.24Å; L919-Q923 VanDerWaalsContact CG-OE1 3.25Å; A920-Q923 WeakPolarHBondContact O-CB 3.31Å; A920-Q923 PolarHBondContact O-N 2.75Å; L921-Q923 VanDerWaalsContact C-N 3.25Å; L921-Q923 PolarHBondContact O-N 2.89Å
924	F	76.1	Confident	74.1	Confident	100 Å²	100	93.7 Å²	93.7	44%	0.439	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-95.1	-0.2	172.2	-64.8	-76.7	0	0	0	113.7	L919 L921 E922 S926 A927 F928	L919-F924 HydrophobicContact CB-CE2 3.83Å; L919-F924 HydrophobicContact CB-CZ 4.25Å; L919-F924 HydrophobicContact CD2-CE2 4.38Å; L919-F924 HydrophobicContact CD2-CZ 4.14Å; L921-F924 PolarHBondContact O-N 2.89Å; L921-F924 VanDerWaalsContact O-N 3.1Å; E922-F924 PolarHBondContact O-N 3.5Å; F924-S926 VanDerWaalsContact C-N 3.26Å; F924-S926 PolarHBondContact O-N 2.88Å; F924-A927 WeakPolarHBondContact O-CB 3.16Å; F924-A927 PolarHBondContact O-N 3.43Å; F924-A927 VanDerWaalsContact O-N 3.08Å; F924-F928 HydrophobicContact CB-CD2 4.35Å; F924-F928 HydrophobicContact CB-CE2 3.87Å; F924-F928 VanDerWaalsContact O-CD2 3.25Å; F924-F928 WeakPolarHBondContact O-CD2 3.38Å; F924-F928 PolarHBondContact O-N 2.88Å
925	L	81.2	Confident	76.4	Confident	100 Å²	100	91.4 Å²	91.4	52%	0.524	52%	0.521	S	S	.	.	H	α-helix	trans	-55.9	-37.8	-175.3	-178.6	61.5	0	0	0	113.1	L921 E922 A927 F928 L929	L921-L925 PolarHBondContact O-N 3.2Å; E922-L925 WeakPolarHBondContact O-CB 3.45Å; E922-L925 PolarHBondContact O-N 2.98Å; E922-L925 VanDerWaalsContact O-N 3.09Å; L925-A927 PolarHBondContact O-N 3.4Å; L925-F928 PolarHBondContact O-N 3.11Å; L925-L929 HydrophobicContact CG-CD1 4.24Å; L925-L929 WeakPolarHBondContact O-CG 3.38Å; L925-L929 PolarHBondContact O-N 3.43Å
926	S	78.1	Confident	78.3	Confident	21 Å²	21	91.5 Å²	91.5	15%	0.147	51%	0.511	C	S	.	.	H	α-helix	trans	-67.4	-34.3	179.3	57.2	0	0	0	0	113.4	P653 F924 L929 L930	P653-S926 WeakPolarHBondContact O-CB 3.22Å; P653-S926 PolarHBondContact O-OG 3.2Å; F924-S926 VanDerWaalsContact C-N 3.26Å; F924-S926 PolarHBondContact O-N 2.88Å; S926-L929 PolarHBondContact O-N 3.36Å; S926-L930 WeakPolarHBondContact O-CB 3.42Å; S926-L930 PolarHBondContact O-N 2.9Å
927	A	80.8	Confident	80.1	Confident	52 Å²	52	91.9 Å²	91.9	43%	0.43	51%	0.506	S	S	.	.	H	α-helix	trans	-66.3	-40.2	173.8	0	0	0	0	0	111.4	F924 L925 L930 L931	F924-A927 WeakPolarHBondContact O-CB 3.16Å; F924-A927 PolarHBondContact O-N 3.43Å; F924-A927 VanDerWaalsContact O-N 3.08Å; L925-A927 PolarHBondContact O-N 3.4Å; A927-L930 PolarHBondContact O-N 3.48Å; A927-L931 WeakPolarHBondContact O-CB 2.97Å; A927-L931 PolarHBondContact O-N 2.97Å
928	F	85.4	Confident	81.7	Confident	113 Å²	113	88.6 Å²	88.6	50%	0.496	50%	0.496	S	S	.	.	H	α-helix	trans	-66	-39.7	173.8	-64.9	-61	0	0	0	112.4	L921 F924 L925 L931 M932	L921-F928 HydrophobicContact CD1-CE2 4.26Å; F924-F928 HydrophobicContact CB-CD2 4.35Å; F924-F928 HydrophobicContact CB-CE2 3.87Å; F924-F928 VanDerWaalsContact O-CD2 3.25Å; F924-F928 WeakPolarHBondContact O-CD2 3.38Å; F924-F928 PolarHBondContact O-N 2.88Å; L925-F928 PolarHBondContact O-N 3.11Å; F928-L931 PolarHBondContact O-N 3.44Å; F928-M932 WeakPolarHBondContact O-CG 3.4Å; F928-M932 PolarHBondContact O-N 3.01Å
929	L	85.9	Confident	83.1	Confident	111 Å²	111	85.8 Å²	85.8	58%	0.581	48%	0.483	S	S	*	.	H	α-helix	trans	-63.5	-41.6	174.3	-71.4	171.6	0	0	0	112.1	L925 S926 M932 A933	L925-L929 HydrophobicContact CG-CD1 4.24Å; L925-L929 WeakPolarHBondContact O-CG 3.38Å; L925-L929 PolarHBondContact O-N 3.43Å; S926-L929 PolarHBondContact O-N 3.36Å; L929-M932 PolarHBondContact O-N 3.3Å; L929-A933 PolarHBondContact O-N 2.83Å
930	L	86.5	Confident	84.2	Confident	103 Å²	103	86.9 Å²	86.9	54%	0.539	49%	0.489	S	S	.	.	H	α-helix	trans	-65	-41.8	175.9	-170.8	153.9	0	0	0	111.4	F656 S926 A927 A933 G934	F656-L930 HydrophobicContact CE2-CD1 4.08Å; F656-L930 HydrophobicContact CZ-CD1 3.94Å; S926-L930 WeakPolarHBondContact O-CB 3.42Å; S926-L930 PolarHBondContact O-N 2.9Å; A927-L930 PolarHBondContact O-N 3.48Å; L930-A933 PolarHBondContact O-N 2.86Å; L930-G934 PolarHBondContact O-N 3.29Å
931	L	89.2	Confident	85.3	Confident	99 Å²	99	89.3 Å²	89.3	52%	0.518	49%	0.494	S	S	.	.	H	α-helix	trans	-61.8	-42.8	174.6	-179.7	147.1	0	0	0	111.8	A927 F928 G934 I935	A927-L931 WeakPolarHBondContact O-CB 2.97Å; A927-L931 PolarHBondContact O-N 2.97Å; F928-L931 PolarHBondContact O-N 3.44Å; L931-G934 PolarHBondContact O-N 2.94Å; L931-I935 HydrophobicContact CD2-CD1 3.64Å; L931-I935 HydrophobicContact CD2-CG1 4.47Å; L931-I935 WeakPolarHBondContact O-CG1 3.46Å; L931-I935 PolarHBondContact O-N 2.92Å
932	M	90.1	Very high	86.1	Confident	107 Å²	107	88.3 Å²	88.3	53%	0.527	49%	0.489	S	S	.	.	H	α-helix	trans	-63.5	-41.3	174.6	-75.6	-64.2	-66.6	0	0	112.4	F928 L929 G934 I935 L936	F928-M932 WeakPolarHBondContact O-CG 3.4Å; F928-M932 PolarHBondContact O-N 3.01Å; L929-M932 PolarHBondContact O-N 3.3Å; M932-G934 VanDerWaalsContact C-N 3.31Å; M932-G934 PolarHBondContact O-N 3.47Å; M932-I935 PolarHBondContact O-N 3.32Å; M932-L936 WeakPolarHBondContact O-CG 3.5Å; M932-L936 PolarHBondContact O-N 3.42Å
933	A	91.3	Very high	86.9	Confident	58 Å²	58	85.5 Å²	85.5	48%	0.479	48%	0.479	S	S	.	.	H	α-helix	trans	-62.8	-38	172.7	0	0	0	0	0	112	L929 L930 L936 L937	L929-A933 PolarHBondContact O-N 2.83Å; L930-A933 PolarHBondContact O-N 2.86Å; A933-L936 PolarHBondContact O-N 3.29Å; A933-L937 WeakPolarHBondContact O-CB 3.42Å; A933-L937 PolarHBondContact O-N 2.92Å
934	G	92.2	Very high	87.6	Confident	37 Å²	37	87.2 Å²	87.2	38%	0.381	49%	0.489	S	S	.	.	H	α-helix	trans	-62.7	-42.7	173.4	0	0	0	0	0	113.2	L930 L931 M932 L937 A938	L930-G934 PolarHBondContact O-N 3.29Å; L931-G934 PolarHBondContact O-N 2.94Å; M932-G934 VanDerWaalsContact C-N 3.31Å; M932-G934 PolarHBondContact O-N 3.47Å; G934-L937 PolarHBondContact O-N 3.21Å; G934-A938 WeakPolarHBondContact O-CB 3.46Å; G934-A938 PolarHBondContact O-N 2.99Å
935	I	93.6	Very high	88	Confident	96 Å²	96	87.2 Å²	87.2	49%	0.492	49%	0.49	S	S	.	.	H	α-helix	trans	-64.4	-43.4	174.9	-68.5	170.3	0	0	0	110.9	L931 M932 A938 A939	L931-I935 HydrophobicContact CD2-CD1 3.64Å; L931-I935 HydrophobicContact CD2-CG1 4.47Å; L931-I935 WeakPolarHBondContact O-CG1 3.46Å; L931-I935 PolarHBondContact O-N 2.92Å; M932-I935 PolarHBondContact O-N 3.32Å; I935-A938 PolarHBondContact O-N 3.13Å; I935-A939 WeakPolarHBondContact O-CB 3.46Å; I935-A939 PolarHBondContact O-N 2.85Å
936	L	92.6	Very high	88.1	Confident	119 Å²	119	87.5 Å²	87.5	62%	0.623	49%	0.489	S	S	*	.	H	α-helix	trans	-62.9	-41.7	175.9	-73.7	168	0	0	0	111.9	M932 A933 A939 L940	M932-L936 WeakPolarHBondContact O-CG 3.5Å; M932-L936 PolarHBondContact O-N 3.42Å; A933-L936 PolarHBondContact O-N 3.29Å; L936-A939 PolarHBondContact O-N 2.78Å; L936-L940 WeakPolarHBondContact O-CB 3.39Å; L936-L940 PolarHBondContact O-N 2.78Å
937	L	93.1	Very high	88.3	Confident	99 Å²	99	88.9 Å²	88.9	52%	0.518	50%	0.497	S	S	.	.	H	α-helix	trans	-65.5	-40.8	174.8	-178.9	62.1	0	0	0	111.7	A933 G934 L940 L941	A933-L937 WeakPolarHBondContact O-CB 3.42Å; A933-L937 PolarHBondContact O-N 2.92Å; G934-L937 PolarHBondContact O-N 3.21Å; L937-L940 PolarHBondContact O-N 3.2Å; L937-L941 HydrophobicContact CD1-CD1 4.42Å; L937-L941 HydrophobicContact CD1-CG 4.35Å; L937-L941 HydrophobicContact CG-CD1 4.12Å; L937-L941 HydrophobicContact CG-CG 4.48Å; L937-L941 WeakPolarHBondContact O-CB 3.4Å; L937-L941 VanDerWaalsContact O-CG 3.29Å; L937-L941 WeakPolarHBondContact O-CG 3.41Å; L937-L941 PolarHBondContact O-N 2.77Å
938	A	91.7	Very high	88.2	Confident	57 Å²	57	90.4 Å²	90.4	47%	0.471	49%	0.492	S	S	.	.	H	α-helix	trans	-64.1	-41.2	175.4	0	0	0	0	0	112	G934 I935 L941 L942	G934-A938 WeakPolarHBondContact O-CB 3.46Å; G934-A938 PolarHBondContact O-N 2.99Å; I935-A938 PolarHBondContact O-N 3.13Å; A938-L941 PolarHBondContact O-N 2.77Å; A938-L942 WeakPolarHBondContact O-CB 3.33Å; A938-L942 PolarHBondContact O-N 2.89Å
939	A	91.1	Very high	87.7	Confident	59 Å²	59	88.7 Å²	88.7	49%	0.488	48%	0.484	S	S	.	.	H	α-helix	trans	-64.5	-40.4	174	0	0	0	0	0	112.1	I935 L936 L942 L943	I935-A939 WeakPolarHBondContact O-CB 3.46Å; I935-A939 PolarHBondContact O-N 2.85Å; L936-A939 PolarHBondContact O-N 2.78Å; A939-L942 PolarHBondContact O-N 3.42Å; A939-L943 WeakPolarHBondContact O-CB 3.5Å; A939-L943 PolarHBondContact O-N 2.86Å
940	L	90.4	Very high	87.1	Confident	92 Å²	92	88.1 Å²	88.1	48%	0.482	48%	0.477	S	S	.	.	H	α-helix	trans	-64.5	-43.3	173.7	-179.8	63.5	0	0	0	111.8	L936 L937 L943 L944	L936-L940 WeakPolarHBondContact O-CB 3.39Å; L936-L940 PolarHBondContact O-N 2.78Å; L937-L940 PolarHBondContact O-N 3.2Å; L940-L943 PolarHBondContact O-N 3.21Å; L940-L944 HydrophobicContact CD1-CD1 4.45Å; L940-L944 HydrophobicContact CD1-CG 4.48Å; L940-L944 HydrophobicContact CG-CD1 4.1Å; L940-L944 WeakPolarHBondContact O-CB 3.42Å; L940-L944 VanDerWaalsContact O-CG 3.28Å; L940-L944 WeakPolarHBondContact O-CG 3.49Å; L940-L944 PolarHBondContact O-N 2.89Å
941	L	89.7	Confident	86.4	Confident	100 Å²	100	89.9 Å²	89.9	52%	0.524	48%	0.478	S	S	.	.	H	α-helix	trans	-64.8	-40.1	176.6	-74.7	171.6	0	0	0	111.9	L937 A938 L944 E945	L937-L941 HydrophobicContact CD1-CD1 4.42Å; L937-L941 HydrophobicContact CD1-CG 4.35Å; L937-L941 HydrophobicContact CG-CD1 4.12Å; L937-L941 HydrophobicContact CG-CG 4.48Å; L937-L941 WeakPolarHBondContact O-CB 3.4Å; L937-L941 VanDerWaalsContact O-CG 3.29Å; L937-L941 WeakPolarHBondContact O-CG 3.41Å; L937-L941 PolarHBondContact O-N 2.77Å; A938-L941 PolarHBondContact O-N 2.77Å; L941-L944 PolarHBondContact O-N 3.31Å; L941-E945 WeakPolarHBondContact O-CB 3.43Å; L941-E945 PolarHBondContact O-N 2.86Å
942	L	88.4	Confident	85.3	Confident	117 Å²	117	88.6 Å²	88.6	61%	0.613	47%	0.471	S	S	*	.	H	α-helix	trans	-66.6	-35.6	174.2	-178.1	144.2	0	0	0	112	A938 A939 H946	A938-L942 WeakPolarHBondContact O-CB 3.33Å; A938-L942 PolarHBondContact O-N 2.89Å; A939-L942 PolarHBondContact O-N 3.42Å; L942-H946 WeakPolarHBondContact O-CB 3.32Å; L942-H946 PolarHBondContact O-N 2.99Å
943	L	86.9	Confident	84.1	Confident	101 Å²	101	88.6 Å²	88.6	53%	0.529	47%	0.465	S	S	.	.	H	α-helix	trans	-66.6	-44.1	171.7	-173.3	154.5	0	0	0	111.2	A939 L940 H946 V947	A939-L943 WeakPolarHBondContact O-CB 3.5Å; A939-L943 PolarHBondContact O-N 2.86Å; L940-L943 PolarHBondContact O-N 3.21Å; L943-H946 PolarHBondContact O-N 3.37Å; L943-V947 HydrophobicContact CD2-CG2 4.07Å; L943-V947 WeakPolarHBondContact O-CB 3.39Å; L943-V947 WeakPolarHBondContact O-CG2 3.35Å; L943-V947 PolarHBondContact O-N 2.82Å
944	L	84.6	Confident	82.6	Confident	90 Å²	90	92.9 Å²	92.9	47%	0.471	47%	0.472	S	S	.	.	H	α-helix	trans	-64.2	-39.1	175.6	-73.3	169.5	0	0	0	111.9	L940 L941 V947 Y948	L940-L944 HydrophobicContact CD1-CD1 4.45Å; L940-L944 HydrophobicContact CD1-CG 4.48Å; L940-L944 HydrophobicContact CG-CD1 4.1Å; L940-L944 WeakPolarHBondContact O-CB 3.42Å; L940-L944 VanDerWaalsContact O-CG 3.28Å; L940-L944 WeakPolarHBondContact O-CG 3.49Å; L940-L944 PolarHBondContact O-N 2.89Å; L941-L944 PolarHBondContact O-N 3.31Å; L944-V947 PolarHBondContact O-N 2.94Å; L944-Y948 WeakPolarHBondContact O-CB 3.36Å; L944-Y948 PolarHBondContact O-N 3.47Å
945	E	86.3	Confident	81.1	Confident	100 Å²	100	100.7 Å²	100.7	47%	0.467	49%	0.49	S	S	.	.	H	α-helix	trans	-61.9	-46.9	172.1	179.1	179.7	-172.9	0	0	110.9	L941 V947 Y948 F949	L941-E945 WeakPolarHBondContact O-CB 3.43Å; L941-E945 PolarHBondContact O-N 2.86Å; E945-V947 PolarHBondContact O-N 2.9Å; E945-Y948 WeakPolarHBondContact O-CB 3.44Å; E945-Y948 PolarHBondContact O-N 3.25Å; E945-F949 HydrophobicContact CG-CD2 3.62Å; E945-F949 HydrophobicContact CG-CE2 3.57Å; E945-F949 WeakPolarHBondContact O-CD2 3.17Å; E945-F949 PolarHBondContact O-N 2.87Å; E945-F949 WeakPolarHBondContact OE1-CE2 2.97Å
946	H	83.3	Confident	79.5	Confident	106 Å²	106	99.4 Å²	99.4	49%	0.491	48%	0.484	S	S	.	.	H	α-helix	trans	-62	-44.1	176.9	-168.9	95.3	0	0	0	111.5	L942 L943 K950	L942-H946 WeakPolarHBondContact O-CB 3.32Å; L942-H946 PolarHBondContact O-N 2.99Å; L943-H946 PolarHBondContact O-N 3.37Å; H946-K950 WeakPolarHBondContact NE2-CD 2.99Å; H946-K950 PolarHBondContact NE2-NZ 2.84Å; H946-K950 WeakPolarHBondContact O-CB 3.46Å; H946-K950 PolarHBondContact O-N 3.32Å
947	V	81.1	Confident	77.7	Confident	51 Å²	51	97.4 Å²	97.4	31%	0.309	49%	0.485	S	S	.	.	H	α-helix	trans	-62.9	-41.6	173.8	167.4	0	0	0	0	111.1	L943 L944 E945 K950 Y951 I952	L943-V947 HydrophobicContact CD2-CG2 4.07Å; L943-V947 WeakPolarHBondContact O-CB 3.39Å; L943-V947 WeakPolarHBondContact O-CG2 3.35Å; L943-V947 PolarHBondContact O-N 2.82Å; L944-V947 PolarHBondContact O-N 2.94Å; E945-V947 PolarHBondContact O-N 2.9Å; V947-K950 PolarHBondContact O-N 3.43Å; V947-Y951 HydrophobicContact CG1-CD2 4.27Å; V947-Y951 WeakPolarHBondContact O-CB 3.46Å; V947-Y951 PolarHBondContact O-N 2.76Å; V947-I952 PolarHBondContact O-N 3.43Å
948	Y	79.6	Confident	75.9	Confident	83 Å²	83	102 Å²	102	33%	0.325	50%	0.5	S	S	.	.	I	π-helix	trans	-61.9	-52.7	178.5	177.4	-103.1	0	0	0	111.3	L944 E945 K950 I952 R953	L944-Y948 WeakPolarHBondContact O-CB 3.36Å; L944-Y948 PolarHBondContact O-N 3.47Å; E945-Y948 WeakPolarHBondContact O-CB 3.44Å; E945-Y948 PolarHBondContact O-N 3.25Å; Y948-K950 PolarHBondContact O-N 3.22Å; Y948-I952 HydrophobicContact CD2-CB 3.69Å; Y948-I952 HydrophobicContact CD2-CD1 4.14Å; Y948-I952 HydrophobicContact CD2-CG1 4.45Å; Y948-I952 HydrophobicContact CD2-CG2 3.69Å; Y948-I952 HydrophobicContact CE2-CB 4.23Å; Y948-I952 HydrophobicContact CE2-CG2 3.8Å; Y948-I952 HydrophobicContact CG-CB 4.42Å; Y948-I952 CarbonylContact O-C 3.39Å; Y948-I952 WeakPolarHBondContact O-CA 3.34Å; Y948-I952 PolarHBondContact O-N 3.2Å; Y948-R953 PolarHBondContact O-N 3.46Å
949	F	73.9	Confident	74.3	Confident	77 Å²	77	108 Å²	108	34%	0.338	52%	0.516	S	S	.	.	I	π-helix	trans	-67.8	-35.8	178.3	-76.4	-59.1	0	0	0	113.5	E945 R953	E945-F949 HydrophobicContact CG-CD2 3.62Å; E945-F949 HydrophobicContact CG-CE2 3.57Å; E945-F949 WeakPolarHBondContact O-CD2 3.17Å; E945-F949 PolarHBondContact O-N 2.87Å; E945-F949 WeakPolarHBondContact OE1-CE2 2.97Å; F949-R953 VanDerWaalsContact CE1-NH1 3.29Å
950	K	73.1	Confident	72.2	Confident	99 Å²	99	109.8 Å²	109.8	43%	0.43	52%	0.517	S	S	.	.	I	π-helix	trans	-76.4	-39.1	-176.1	-171	168.7	-174.3	171.4	0	113.5	H946 V947 Y948 K954	H946-K950 WeakPolarHBondContact NE2-CD 2.99Å; H946-K950 PolarHBondContact NE2-NZ 2.84Å; H946-K950 WeakPolarHBondContact O-CB 3.46Å; H946-K950 PolarHBondContact O-N 3.32Å; V947-K950 PolarHBondContact O-N 3.43Å; Y948-K950 PolarHBondContact O-N 3.22Å; K950-K954 WeakPolarHBondContact O-CD 3.48Å; K950-K954 WeakPolarHBondContact O-CE 3.44Å
951	Y	72.4	Confident	70	Confident	141 Å²	141	108.4 Å²	108.4	55%	0.553	53%	0.526	S	S	*	.	I	π-helix	trans	-119.3	-48.2	-173.3	-60.6	-71.2	0	0	0	114	V947	V947-Y951 HydrophobicContact CG1-CD2 4.27Å; V947-Y951 WeakPolarHBondContact O-CB 3.46Å; V947-Y951 PolarHBondContact O-N 2.76Å
952	I	65.4	Low	68.4	Low	72 Å²	72	107.2 Å²	107.2	37%	0.369	54%	0.538	S	S	.	.	I	π-helix	trans	-76.1	-47.9	-169.6	-56.3	178.2	0	0	0	111.5	V947 Y948 K954 R955 L956	V947-I952 PolarHBondContact O-N 3.43Å; Y948-I952 HydrophobicContact CD2-CB 3.69Å; Y948-I952 HydrophobicContact CD2-CD1 4.14Å; Y948-I952 HydrophobicContact CD2-CG1 4.45Å; Y948-I952 HydrophobicContact CD2-CG2 3.69Å; Y948-I952 HydrophobicContact CE2-CB 4.23Å; Y948-I952 HydrophobicContact CE2-CG2 3.8Å; Y948-I952 HydrophobicContact CG-CB 4.42Å; Y948-I952 CarbonylContact O-C 3.39Å; Y948-I952 WeakPolarHBondContact O-CA 3.34Å; Y948-I952 PolarHBondContact O-N 3.2Å; I952-K954 PolarHBondContact O-N 3.46Å; I952-R955 CarbonylContact O-C 3.59Å; I952-R955 WeakPolarHBondContact O-CA 3.35Å; I952-R955 WeakPolarHBondContact O-CB 3.01Å; I952-R955 PolarHBondContact O-N 2.91Å; I952-L956 HydrophobicContact CG2-CD1 3.85Å; I952-L956 PolarHBondContact O-N 2.99Å
953	R	64.9	Low	66.6	Low	107 Å²	107	109.7 Å²	109.7	40%	0.404	55%	0.546	S	S	.	.	H	α-helix	trans	-57.7	-34.4	178.3	-170.9	176.6	-175.2	-178.7	7.8	112.3	Y948 F949 R955 A957	Y948-R953 PolarHBondContact O-N 3.46Å; F949-R953 VanDerWaalsContact CE1-NH1 3.29Å; R953-R955 VanDerWaalsContact C-N 3.27Å; R953-R955 PolarHBondContact O-N 3.23Å; R953-A957 WeakPolarHBondContact O-CB 3.36Å; R953-A957 PolarHBondContact O-N 2.79Å
954	K	61.2	Low	64.9	Low	147 Å²	147	110 Å²	110	64%	0.639	56%	0.555	S	S	*	*	H	α-helix	trans	-69.2	-21.4	174.6	-64	-173.6	-174.3	170.5	0	113.8	K950 I952	K950-K954 WeakPolarHBondContact O-CD 3.48Å; K950-K954 WeakPolarHBondContact O-CE 3.44Å; I952-K954 PolarHBondContact O-N 3.46Å
955	R	60.6	Low	63.1	Low	202 Å²	202	110.6 Å²	110.6	76%	0.762	57%	0.565	S	S	*	*	H	α-helix	trans	-92.5	-41.1	173.6	-67.3	-176.6	178.4	-165.4	0.2	111.8	I952 R953 K958	I952-R955 CarbonylContact O-C 3.59Å; I952-R955 WeakPolarHBondContact O-CA 3.35Å; I952-R955 WeakPolarHBondContact O-CB 3.01Å; I952-R955 PolarHBondContact O-N 2.91Å; R953-R955 VanDerWaalsContact C-N 3.27Å; R953-R955 PolarHBondContact O-N 3.23Å; R955-K958 PolarHBondContact O-N 3.31Å
956	L	59.4	Low	61.6	Low	69 Å²	69	107.2 Å²	107.2	36%	0.361	56%	0.555	S	S	.	*	H	α-helix	trans	-63.5	-43.3	176	-111.2	84	0	0	0	112.3	I952 K958 K959 D960	I952-L956 HydrophobicContact CG2-CD1 3.85Å; I952-L956 PolarHBondContact O-N 2.99Å; L956-K958 PolarHBondContact O-N 2.8Å; L956-K959 CarbonylContact O-C 3.55Å; L956-K959 WeakPolarHBondContact O-CA 3.21Å; L956-K959 PolarHBondContact O-N 2.92Å; L956-D960 PolarHBondContact O-N 3.45Å; L956-D960 VanDerWaalsContact O-N 3.13Å
957	A	55.4	Low	60.1	Low	77 Å²	77	108.3 Å²	108.3	64%	0.636	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-2	176.8	0	0	0	0	0	114.5	R953	R953-A957 WeakPolarHBondContact O-CB 3.36Å; R953-A957 PolarHBondContact O-N 2.79Å
958	K	55.3	Low	58.8	Low	194 Å²	194	110.4 Å²	110.4	84%	0.843	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	-0.1	168.4	-78.2	-165.9	170.2	-166.8	0	113.7	R955 L956	R955-K958 PolarHBondContact O-N 3.31Å; L956-K958 PolarHBondContact O-N 2.8Å
959	K	56.8	Low	57.4	Low	184 Å²	184	108.4 Å²	108.4	80%	0.8	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.4	4.9	-170.8	-146.9	-175.7	178.3	-174.9	0	114.7	L956 G961	L956-K959 CarbonylContact O-C 3.55Å; L956-K959 WeakPolarHBondContact O-CA 3.21Å; L956-K959 PolarHBondContact O-N 2.92Å; K959-G961 PolarHBondContact O-N 3.49Å
960	D	47.6	Very low	56.4	Low	96 Å²	96	109.9 Å²	109.9	51%	0.513	58%	0.581	S	S	.	*			trans	-71.4	71.8	175.5	-73.5	-32.5	0	0	0	111.9	L956	L956-D960 PolarHBondContact O-N 3.45Å; L956-D960 VanDerWaalsContact O-N 3.13Å
961	G	43.5	Very low	55.1	Low	64 Å²	64	106.7 Å²	106.7	66%	0.66	57%	0.571	S	S	*	*			trans	-87.9	130.8	163.7	0	0	0	0	0	110.2	K959 H963	K959-G961 PolarHBondContact O-N 3.49Å; G961-H963 PolarHBondContact O-N 2.94Å; G961-H963 VanDerWaalsContact O-N 3.16Å
962	G	57.6	Low	54.1	Low	75 Å²	75	104.7 Å²	104.7	77%	0.773	57%	0.568	S	S	*	*	S	Bend	trans	-56.6	112.3	-161.6	0	0	0	0	0	116.2
963	H	50.4	Low	53.3	Low	169 Å²	169	102.7 Å²	102.7	78%	0.782	57%	0.565	S	S	*	*	S	Bend	trans	-145.3	164.4	163.1	-114.1	-153.6	0	0	0	108.8	G961 C965 A966	G961-H963 PolarHBondContact O-N 2.94Å; G961-H963 VanDerWaalsContact O-N 3.16Å; H963-C965 VanDerWaalsContact C-N 3.26Å; H963-C965 PolarHBondContact O-N 2.86Å; H963-A966 WeakPolarHBondContact O-CB 3.39Å; H963-A966 PolarHBondContact O-N 3.48Å
964	C	50	Low	52.5	Low	108 Å²	108	105.2 Å²	105.2	73%	0.73	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.9	-40.1	-166.4	-172.3	0	0	0	0	115.5	A966 L967	C964-A966 PolarHBondContact O-N 3.44Å; C964-L967 PolarHBondContact O-N 3.5Å
965	C	48	Very low	51.8	Low	101 Å²	101	101.2 Å²	101.2	68%	0.682	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-20.4	-179.7	-54.4	0	0	0	0	114.7	H963 L967 I968 S969	H963-C965 VanDerWaalsContact C-N 3.26Å; H963-C965 PolarHBondContact O-N 2.86Å; C965-L967 PolarHBondContact O-N 3.36Å; C965-I968 PolarHBondContact O-N 3.32Å; C965-S969 PolarHBondContact O-N 3.04Å
966	A	53.4	Low	51.2	Low	30 Å²	30	98 Å²	98	25%	0.248	57%	0.567	C	S	.	*	H	α-helix	trans	-61.4	-30.4	178.2	0	0	0	0	0	113.1	H963 C964 I968 S969 L970	H963-A966 WeakPolarHBondContact O-CB 3.39Å; H963-A966 PolarHBondContact O-N 3.48Å; C964-A966 PolarHBondContact O-N 3.44Å; A966-I968 VanDerWaalsContact C-N 3.33Å; A966-I968 PolarHBondContact O-N 2.92Å; A966-S969 PolarHBondContact O-N 3.13Å; A966-L970 WeakPolarHBondContact O-CB 3.41Å; A966-L970 PolarHBondContact O-N 3.43Å
967	L	52.1	Low	50.8	Low	129 Å²	129	97.9 Å²	97.9	68%	0.675	57%	0.569	S	S	*	*	H	α-helix	trans	-64.2	-38.3	176.6	-72.4	169	0	0	0	112.1	C964 C965 L970 S971	C964-L967 PolarHBondContact O-N 3.5Å; C965-L967 PolarHBondContact O-N 3.36Å; L967-L970 PolarHBondContact O-N 3.16Å; L967-S971 WeakPolarHBondContact O-CB 3.46Å; L967-S971 PolarHBondContact O-N 3.02Å
968	I	53.3	Low	50.3	Low	95 Å²	95	102.3 Å²	102.3	49%	0.487	57%	0.574	S	S	.	*	H	α-helix	trans	-66.8	-47	178.1	-58.2	175.1	0	0	0	109.5	F710 C965 A966 L970 S971 M972	F710-I968 HydrophobicContact CE2-CG2 4.27Å; F710-I968 HydrophobicContact CZ-CG2 4.41Å; C965-I968 PolarHBondContact O-N 3.32Å; A966-I968 VanDerWaalsContact C-N 3.33Å; A966-I968 PolarHBondContact O-N 2.92Å; I968-L970 PolarHBondContact O-N 3.33Å; I968-S971 PolarHBondContact O-N 2.87Å; I968-S971 PolarHBondContact O-OG 3Å; I968-M972 PolarHBondContact O-N 3.47Å
969	S	50.6	Low	50.2	Low	40 Å²	40	102.6 Å²	102.6	28%	0.28	57%	0.57	S	S	.	*	H	α-helix	trans	-55.3	-47.3	174.7	-177	0	0	0	0	112.4	C965 A966 G973	C965-S969 PolarHBondContact O-N 3.04Å; A966-S969 PolarHBondContact O-N 3.13Å; S969-G973 PolarHBondContact O-N 3.04Å
970	L	52.6	Low	50.2	Low	109 Å²	109	95.3 Å²	95.3	57%	0.571	55%	0.547	S	S	*	.	H	α-helix	trans	-65.7	-36.9	178.5	-90.6	157.9	0	0	0	113.5	A966 L967 I968	A966-L970 WeakPolarHBondContact O-CB 3.41Å; A966-L970 PolarHBondContact O-N 3.43Å; L967-L970 PolarHBondContact O-N 3.16Å; I968-L970 PolarHBondContact O-N 3.33Å
971	S	46.9	Very low	50.5	Low	31 Å²	31	93.5 Å²	93.5	22%	0.217	55%	0.545	C	S	.	.	H	α-helix	trans	-67.7	-40.8	179.7	76.9	0	0	0	0	112.9	L967 I968	L967-S971 WeakPolarHBondContact O-CB 3.46Å; L967-S971 PolarHBondContact O-N 3.02Å; I968-S971 PolarHBondContact O-N 2.87Å; I968-S971 PolarHBondContact O-OG 3Å
972	M	50.7	Low	50.9	Low	100 Å²	100	93.7 Å²	93.7	49%	0.493	53%	0.533	S	S	.	.	H	α-helix	trans	-75.6	-37.7	174.2	-74.8	-169.5	161.8	0	0	112.1	F710 I968 K974 S975	F710-M972 HydrophobicContact CD1-CE 4.22Å; F710-M972 HydrophobicContact CD2-CE 4.15Å; F710-M972 HydrophobicContact CE1-CE 4.25Å; F710-M972 HydrophobicContact CE2-CE 4.17Å; F710-M972 HydrophobicContact CG-CE 4.17Å; F710-M972 HydrophobicContact CZ-CE 4.22Å; I968-M972 PolarHBondContact O-N 3.47Å; M972-K974 VanDerWaalsContact C-N 3.25Å; M972-K974 PolarHBondContact O-N 3.44Å; M972-K974 VanDerWaalsContact O-N 3.13Å; M972-S975 PolarHBondContact O-N 3.31Å; M972-S975 PolarHBondContact O-OG 3.4Å
973	G	49.6	Very low	50.9	Low	30 Å²	30	96.8 Å²	96.8	31%	0.309	53%	0.526	S	S	.	.	H	α-helix	trans	-62.4	-22.1	-173.1	0	0	0	0	0	116.2	S969	S969-G973 PolarHBondContact O-N 3.04Å
974	K	47.4	Very low	51.4	Low	159 Å²	159	93 Å²	93	69%	0.691	51%	0.509	S	S	*	.	H	α-helix	trans	-96.1	-24.9	179.4	-81.2	-170.9	173.2	-176.1	0	115.4	M972 T977	M972-K974 VanDerWaalsContact C-N 3.25Å; M972-K974 PolarHBondContact O-N 3.44Å; M972-K974 VanDerWaalsContact O-N 3.13Å; K974-T977 PolarHBondContact O-OG1 2.66Å
975	S	47.3	Very low	51.6	Low	64 Å²	64	90.2 Å²	90.2	45%	0.448	49%	0.493	S	S	.	.	H	α-helix	trans	-86.9	-8.1	-165.4	57	0	0	0	0	115.6	M972	M972-S975 PolarHBondContact O-N 3.31Å; M972-S975 PolarHBondContact O-OG 3.4Å
976	L	48.1	Very low	52	Low	133 Å²	133	88.7 Å²	88.7	70%	0.696	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	3.7	-175.1	-69.1	169.7	0	0	0	114.4	F978	L976-F978 PolarHBondContact O-N 3.33Å
977	T	49.9	Very low	52.1	Low	68 Å²	68	91.6 Å²	91.6	42%	0.417	49%	0.49	S	S	.	.			trans	-80.6	87.7	177.8	48.4	0	0	0	0	111.1	K974 R979 G980 A981	K974-T977 PolarHBondContact O-OG1 2.66Å; T977-R979 PolarHBondContact O-N 2.78Å; T977-R979 VanDerWaalsContact O-N 3.09Å; T977-G980 WeakPolarHBondContact O-CA 3.34Å; T977-G980 PolarHBondContact O-N 3.09Å; T977-A981 PolarHBondContact O-N 3.12Å; T977-A981 VanDerWaalsContact O-N 3.12Å
978	F	45.8	Very low	52.3	Low	170 Å²	170	89.6 Å²	89.6	75%	0.746	48%	0.479	S	S	*	.	H	α-helix	trans	-46	-41.7	172.5	179.6	-100.5	0	0	0	112.6	L976 G980 A981 V982	L976-F978 PolarHBondContact O-N 3.33Å; F978-G980 VanDerWaalsContact C-N 3.29Å; F978-G980 PolarHBondContact O-N 3.29Å; F978-A981 PolarHBondContact O-N 3.35Å; F978-V982 HydrophobicContact CD1-CG2 4.23Å; F978-V982 HydrophobicContact CE1-CG2 3.9Å; F978-V982 HydrophobicContact CE2-CG2 4.39Å; F978-V982 HydrophobicContact CZ-CG2 3.98Å; F978-V982 WeakPolarHBondContact O-CG2 3.16Å; F978-V982 PolarHBondContact O-N 3.29Å
979	R	53	Low	52.4	Low	200 Å²	200	91.8 Å²	91.8	76%	0.755	49%	0.49	S	S	*	.	H	α-helix	trans	-62.2	-32.8	176.1	-157	175.9	-170.1	121.1	-0.9	113.3	T977 F983	T977-R979 PolarHBondContact O-N 2.78Å; T977-R979 VanDerWaalsContact O-N 3.09Å; R979-F983 WeakPolarHBondContact O-CD2 3.44Å; R979-F983 PolarHBondContact O-N 2.98Å
980	G	55.7	Low	52.7	Low	31 Å²	31	98.2 Å²	98.2	32%	0.32	51%	0.513	S	S	.	.	H	α-helix	trans	-69.6	-50.1	173.4	0	0	0	0	0	111.6	T977 F978 V982 F983 E984	T977-G980 WeakPolarHBondContact O-CA 3.34Å; T977-G980 PolarHBondContact O-N 3.09Å; F978-G980 VanDerWaalsContact C-N 3.29Å; F978-G980 PolarHBondContact O-N 3.29Å; G980-V982 VanDerWaalsContact C-N 3.28Å; G980-V982 PolarHBondContact O-N 2.85Å; G980-F983 PolarHBondContact O-N 3.3Å; G980-F983 VanDerWaalsContact O-N 3.07Å; G980-E984 WeakPolarHBondContact O-CB 3.32Å; G980-E984 PolarHBondContact O-N 2.89Å
981	A	54	Low	52.8	Low	57 Å²	57	99.3 Å²	99.3	47%	0.471	51%	0.513	S	S	.	.	H	α-helix	trans	-58.7	-37	177.5	0	0	0	0	0	113	T977 F978 E984 A985	T977-A981 PolarHBondContact O-N 3.12Å; T977-A981 VanDerWaalsContact O-N 3.12Å; F978-A981 PolarHBondContact O-N 3.35Å; A981-E984 PolarHBondContact O-N 3.46Å; A981-A985 VanDerWaalsContact O-CB 3.26Å; A981-A985 WeakPolarHBondContact O-CB 3.37Å; A981-A985 PolarHBondContact O-N 3.07Å
982	V	53.6	Low	53.2	Low	68 Å²	68	104.7 Å²	104.7	41%	0.412	54%	0.535	S	S	.	.	H	α-helix	trans	-67.2	-39.2	174.5	170.8	0	0	0	0	112.2	F978 G980 T986	F978-V982 HydrophobicContact CD1-CG2 4.23Å; F978-V982 HydrophobicContact CE1-CG2 3.9Å; F978-V982 HydrophobicContact CE2-CG2 4.39Å; F978-V982 HydrophobicContact CZ-CG2 3.98Å; F978-V982 WeakPolarHBondContact O-CG2 3.16Å; F978-V982 PolarHBondContact O-N 3.29Å; G980-V982 VanDerWaalsContact C-N 3.28Å; G980-V982 PolarHBondContact O-N 2.85Å; V982-T986 WeakPolarHBondContact O-CB 3.26Å; V982-T986 WeakPolarHBondContact O-CG2 3.49Å; V982-T986 PolarHBondContact O-N 2.78Å; V982-T986 VanDerWaalsContact O-N 3.13Å; V982-T986 PolarHBondContact O-OG1 2.92Å
983	F	57.5	Low	53.5	Low	141 Å²	141	109.7 Å²	109.7	62%	0.618	55%	0.548	S	S	*	.	H	α-helix	trans	-69.7	-38.4	173.9	-91.6	-68.8	0	0	0	112.4	R979 G980 T986 E987	R979-F983 WeakPolarHBondContact O-CD2 3.44Å; R979-F983 PolarHBondContact O-N 2.98Å; G980-F983 PolarHBondContact O-N 3.3Å; G980-F983 VanDerWaalsContact O-N 3.07Å; F983-T986 WeakPolarHBondContact CA-OG1 3.44Å; F983-T986 PolarHBondContact O-N 3.42Å; F983-T986 PolarHBondContact O-OG1 3.27Å; F983-E987 PolarHBondContact O-N 3.39Å
984	E	60.1	Low	53.9	Low	90 Å²	90	109.7 Å²	109.7	42%	0.421	54%	0.543	S	S	.	.	H	α-helix	trans	-67.2	-44.6	177.2	-169.7	173.9	177	0	0	111.6	P704 G980 A981 T986 E987 I988	P704-E984 WeakPolarHBondContact CD-OE1 3.45Å; P704-E984 WeakPolarHBondContact CG-OE1 3.49Å; G980-E984 WeakPolarHBondContact O-CB 3.32Å; G980-E984 PolarHBondContact O-N 2.89Å; A981-E984 PolarHBondContact O-N 3.46Å; E984-T986 VanDerWaalsContact C-N 3.31Å; E984-T986 PolarHBondContact O-N 3.13Å; E984-E987 WeakPolarHBondContact O-CB 3.29Å; E984-E987 PolarHBondContact O-N 3.38Å; E984-I988 HydrophobicContact CG-CD1 4.14Å; E984-I988 VanDerWaalsContact O-CG1 3.29Å; E984-I988 WeakPolarHBondContact O-CG1 3.44Å; E984-I988 PolarHBondContact O-N 2.76Å
985	A	53.3	Low	54.3	Low	49 Å²	49	110.1 Å²	110.1	41%	0.405	55%	0.553	S	S	.	*	H	α-helix	trans	-62.3	-35.7	174.5	0	0	0	0	0	112.8	A981 L989	A981-A985 VanDerWaalsContact O-CB 3.26Å; A981-A985 WeakPolarHBondContact O-CB 3.37Å; A981-A985 PolarHBondContact O-N 3.07Å; A985-L989 WeakPolarHBondContact O-CB 3.46Å; A985-L989 PolarHBondContact O-N 3.16Å
986	T	57.6	Low	54.7	Low	69 Å²	69	112.3 Å²	112.3	42%	0.423	56%	0.56	S	S	.	*	H	α-helix	trans	-79.8	-23.6	176.7	49.9	0	0	0	0	113.8	V982 F983 E984 K990	V982-T986 WeakPolarHBondContact O-CB 3.26Å; V982-T986 WeakPolarHBondContact O-CG2 3.49Å; V982-T986 PolarHBondContact O-N 2.78Å; V982-T986 VanDerWaalsContact O-N 3.13Å; V982-T986 PolarHBondContact O-OG1 2.92Å; F983-T986 WeakPolarHBondContact CA-OG1 3.44Å; F983-T986 PolarHBondContact O-N 3.42Å; F983-T986 PolarHBondContact O-OG1 3.27Å; E984-T986 VanDerWaalsContact C-N 3.31Å; E984-T986 PolarHBondContact O-N 3.13Å; T986-K990 WeakPolarHBondContact O-CB 3.46Å; T986-K990 WeakPolarHBondContact O-CG 3.43Å; T986-K990 PolarHBondContact O-N 2.69Å
987	E	55	Low	55.7	Low	91 Å²	91	110.8 Å²	110.8	43%	0.425	56%	0.558	S	S	.	*	H	α-helix	trans	-65.7	-49.5	162.7	-95.6	-77.4	118.5	0	0	111.1	F983 E984 L989 K990 K991	F983-E987 PolarHBondContact O-N 3.39Å; E984-E987 WeakPolarHBondContact O-CB 3.29Å; E984-E987 PolarHBondContact O-N 3.38Å; E987-L989 VanDerWaalsContact C-N 3.32Å; E987-L989 PolarHBondContact O-N 3.06Å; E987-K990 CarbonylContact O-C 3.6Å; E987-K990 WeakPolarHBondContact O-CA 3.39Å; E987-K990 WeakPolarHBondContact O-CB 3.43Å; E987-K990 PolarHBondContact O-N 2.94Å; E987-K991 PolarHBondContact O-N 2.98Å; E987-K991 WeakPolarHBondContact OE2-CE 3.5Å; E987-K991 IonicContact OE2-NZ 2.75Å; E987-K991 PolarHBondContact OE2-NZ 2.94Å
988	I	55.6	Low	56.7	Low	87 Å²	87	113.4 Å²	113.4	45%	0.446	57%	0.568	S	S	.	*	H	α-helix	trans	-61.4	-39.9	-178.4	-68.3	164.3	0	0	0	111.5	E984 K990 K991 H992	E984-I988 HydrophobicContact CG-CD1 4.14Å; E984-I988 VanDerWaalsContact O-CG1 3.29Å; E984-I988 WeakPolarHBondContact O-CG1 3.44Å; E984-I988 PolarHBondContact O-N 2.76Å; I988-K990 VanDerWaalsContact C-N 3.29Å; I988-K990 PolarHBondContact O-N 3.36Å; I988-K991 PolarHBondContact O-N 3.07Å; I988-H992 PolarHBondContact O-N 3.38Å; I988-H992 PolarHBondContact O-ND1 3.46Å
989	L	55.4	Low	57.6	Low	140 Å²	140	108.1 Å²	108.1	73%	0.733	55%	0.551	S	S	*	*	H	α-helix	trans	-71.5	-16.8	173.1	-84.1	164	0	0	0	114.3	A985 E987	A985-L989 WeakPolarHBondContact O-CB 3.46Å; A985-L989 PolarHBondContact O-N 3.16Å; E987-L989 VanDerWaalsContact C-N 3.32Å; E987-L989 PolarHBondContact O-N 3.06Å
990	K	56.8	Low	58.4	Low	176 Å²	176	101.1 Å²	101.1	77%	0.765	53%	0.529	S	S	*	.	H	α-helix	trans	-87.9	-24.8	171.4	-89.8	-179.8	171.3	-178.7	0	113.5	T986 E987 I988	T986-K990 WeakPolarHBondContact O-CB 3.46Å; T986-K990 WeakPolarHBondContact O-CG 3.43Å; T986-K990 PolarHBondContact O-N 2.69Å; E987-K990 CarbonylContact O-C 3.6Å; E987-K990 WeakPolarHBondContact O-CA 3.39Å; E987-K990 WeakPolarHBondContact O-CB 3.43Å; E987-K990 PolarHBondContact O-N 2.94Å; I988-K990 VanDerWaalsContact C-N 3.29Å; I988-K990 PolarHBondContact O-N 3.36Å
991	K	55.1	Low	59.4	Low	131 Å²	131	103.8 Å²	103.8	57%	0.57	54%	0.539	S	S	*	.	H	α-helix	trans	-102.1	-6.8	-171.3	-98.1	170.9	-180	158.2	0	115.9	E987 I988 R993	E987-K991 PolarHBondContact O-N 2.98Å; E987-K991 WeakPolarHBondContact OE2-CE 3.5Å; E987-K991 IonicContact OE2-NZ 2.75Å; E987-K991 PolarHBondContact OE2-NZ 2.94Å; I988-K991 PolarHBondContact O-N 3.07Å; K991-R993 PolarHBondContact O-N 3.36Å
992	H	55.9	Low	60.4	Low	144 Å²	144	106.8 Å²	106.8	67%	0.667	54%	0.543	S	S	*	.			trans	-64.8	106.4	172	-92.8	69.4	0	0	0	111	I988	I988-H992 PolarHBondContact O-N 3.38Å; I988-H992 PolarHBondContact O-ND1 3.46Å
993	R	56.9	Low	61.4	Low	205 Å²	205	107.9 Å²	107.9	77%	0.774	55%	0.546	S	S	*	.			trans	-95.8	149	151	-69.7	-175.1	176.2	169.7	-2.9	108.6	K991 D1000	K991-R993 PolarHBondContact O-N 3.36Å; R993-D1000 WeakPolarHBondContact CA-OD1 3.46Å
994	C	57.3	Low	62.3	Low	30 Å²	30	109.5 Å²	109.5	20%	0.203	55%	0.549	C	S	.	.			trans	-69.2	155.6	158.5	-55.2	0	0	0	0	110.4	D996 C999 D1000	C994-D996 VanDerWaalsContact C-N 3.29Å; C994-C999 HydrophobicContact CB-CB 3.26Å; C994-C999 WeakPolarHBondContact CB-SG 3.2Å; C994-C999 WeakPolarHBondContact SG-CB 3.45Å; C994-C999 CovalentContact SG-SG 2.04Å; C994-C999 PolarHBondContact SG-SG 3.21Å; C994-D1000 PolarHBondContact N-OD1 2.88Å
995	N	55.5	Low	63.4	Low	168 Å²	168	110.8 Å²	110.8	90%	0.898	55%	0.553	S	S	*	*	S	Bend	trans	-70.8	-26.6	170.8	-75	-12.2	0	0	0	112.5
996	D	56.1	Low	64.5	Low	110 Å²	110	112.7 Å²	112.7	59%	0.588	56%	0.559	S	S	*	*	S	Bend	trans	-98.9	134.4	178.1	-63.9	-56.7	0	0	0	112.5	C994 I998 C999 D1000	C994-D996 VanDerWaalsContact C-N 3.29Å; D996-I998 PolarHBondContact O-N 3.03Å; D996-C999 HydrophobicContact CB-CB 4.28Å; D996-C999 WeakPolarHBondContact O-CB 3.35Å; D996-C999 PolarHBondContact O-N 2.92Å; D996-D1000 PolarHBondContact O-N 3.02Å
997	P	70.1	Confident	65.4	Low	102 Å²	102	115.4 Å²	115.4	66%	0.662	57%	0.565	S	S	*	*	H	α-helix	trans	-65.7	-22.1	178.9	27.2	-35	0	0	0	113.4	T1001	P997-T1001 WeakPolarHBondContact O-CG2 2.99Å; P997-T1001 PolarHBondContact O-N 2.82Å; P997-T1001 VanDerWaalsContact O-N 3.15Å; P997-T1001 PolarHBondContact O-OG1 3Å
998	I	71.1	Confident	66.8	Low	122 Å²	122	115.9 Å²	115.9	63%	0.626	57%	0.567	S	S	*	*	H	α-helix	trans	-69.8	-37.5	173.4	-60	175.4	0	0	0	110.4	D996 T1001 H1002	D996-I998 PolarHBondContact O-N 3.03Å; I998-T1001 WeakPolarHBondContact CA-OG1 3.05Å; I998-T1001 PolarHBondContact O-OG1 3.26Å; I998-H1002 WeakPolarHBondContact O-CB 3.47Å; I998-H1002 PolarHBondContact O-CD2 2.79Å; I998-H1002 VanDerWaalsContact O-CD2 3.27Å; I998-H1002 PolarHBondContact O-N 3.15Å
999	C	64.8	Low	68.1	Low	59 Å²	59	116.3 Å²	116.3	40%	0.399	57%	0.567	S	S	.	*	H	α-helix	trans	-71.9	-40.7	177.6	176.1	0	0	0	0	111.4	C994 D996 T1001 H1002 L1003	C994-C999 HydrophobicContact CB-CB 3.26Å; C994-C999 WeakPolarHBondContact CB-SG 3.2Å; C994-C999 WeakPolarHBondContact SG-CB 3.45Å; C994-C999 CovalentContact SG-SG 2.04Å; C994-C999 PolarHBondContact SG-SG 3.21Å; D996-C999 HydrophobicContact CB-CB 4.28Å; D996-C999 WeakPolarHBondContact O-CB 3.35Å; D996-C999 PolarHBondContact O-N 2.92Å; C999-T1001 PolarHBondContact O-N 3.45Å; C999-H1002 PolarHBondContact O-N 2.04Å; C999-L1003 WeakPolarHBondContact O-CB 3.43Å; C999-L1003 PolarHBondContact O-N 2.94Å
1000	D	69.6	Low	69.3	Low	53 Å²	53	113.5 Å²	113.5	28%	0.283	55%	0.553	S	S	.	*	H	α-helix	trans	-63.2	-39	175.4	-107.8	19.8	0	0	0	112.1	R993 C994 D996 W1004	R993-D1000 WeakPolarHBondContact CA-OD1 3.46Å; C994-D1000 PolarHBondContact N-OD1 2.88Å; D996-D1000 PolarHBondContact O-N 3.02Å; D1000-W1004 WeakPolarHBondContact O-CB 3.44Å; D1000-W1004 PolarHBondContact O-N 3.19Å
1001	T	76.1	Confident	70.3	Confident	88 Å²	88	108.4 Å²	108.4	54%	0.54	53%	0.533	S	S	.	.	H	α-helix	trans	-71.6	-39.2	176.4	46.7	0	0	0	0	113	P997 I998 C999 K1005	P997-T1001 WeakPolarHBondContact O-CG2 2.99Å; P997-T1001 PolarHBondContact O-N 2.82Å; P997-T1001 VanDerWaalsContact O-N 3.15Å; P997-T1001 PolarHBondContact O-OG1 3Å; I998-T1001 WeakPolarHBondContact CA-OG1 3.05Å; I998-T1001 PolarHBondContact O-OG1 3.26Å; C999-T1001 PolarHBondContact O-N 3.45Å; T1001-K1005 WeakPolarHBondContact O-CB 3.34Å; T1001-K1005 PolarHBondContact O-N 3.27Å
1002	H	74.9	Confident	71.6	Confident	119 Å²	119	106 Å²	106	55%	0.551	53%	0.525	S	S	*	.	H	α-helix	trans	-64.7	-42.4	170.9	-88.4	-111.4	0	0	0	112.3	I998 C999 W1004 K1005 V1006	I998-H1002 WeakPolarHBondContact O-CB 3.47Å; I998-H1002 PolarHBondContact O-CD2 2.79Å; I998-H1002 VanDerWaalsContact O-CD2 3.27Å; I998-H1002 PolarHBondContact O-N 3.15Å; C999-H1002 PolarHBondContact O-N 2.04Å; H1002-W1004 PolarHBondContact O-N 3.39Å; H1002-K1005 PolarHBondContact O-N 3.02Å; H1002-V1006 WeakPolarHBondContact O-CG2 3.2Å; H1002-V1006 PolarHBondContact O-N 2.89Å
1003	L	75.2	Confident	72.6	Confident	91 Å²	91	102.1 Å²	102.1	48%	0.476	51%	0.514	S	S	.	.	H	α-helix	trans	-63	-42	177.4	-176	65.1	0	0	0	111.3	C999 K1007	C999-L1003 WeakPolarHBondContact O-CB 3.43Å; C999-L1003 PolarHBondContact O-N 2.94Å; L1003-K1007 WeakPolarHBondContact O-CB 3.4Å; L1003-K1007 PolarHBondContact O-N 3.2Å
1004	W	76	Confident	73.5	Confident	176 Å²	176	98.3 Å²	98.3	67%	0.667	50%	0.5	S	S	*	.	H	α-helix	trans	-62.7	-45.1	173.3	-172.7	92.7	0	0	0	111.9	D1000 H1002 K1007 H1008	D1000-W1004 WeakPolarHBondContact O-CB 3.44Å; D1000-W1004 PolarHBondContact O-N 3.19Å; H1002-W1004 PolarHBondContact O-N 3.39Å; W1004-K1007 PolarHBondContact O-N 2.84Å; W1004-H1008 HydrophobicContact CE3-CB 4.47Å; W1004-H1008 HydrophobicContact CZ3-CB 4.32Å; W1004-H1008 WeakPolarHBondContact O-CB 3.26Å; W1004-H1008 PolarHBondContact O-N 3.32Å
1005	K	82.6	Confident	74.6	Confident	117 Å²	117	101.2 Å²	101.2	51%	0.509	51%	0.513	S	S	.	.	H	α-helix	trans	-60.6	-50.7	178.1	-178.5	176.9	172.6	-179.3	0	112.1	T1001 H1002 K1007 H1008 E1009	T1001-K1005 WeakPolarHBondContact O-CB 3.34Å; T1001-K1005 PolarHBondContact O-N 3.27Å; H1002-K1005 PolarHBondContact O-N 3.02Å; K1005-K1007 VanDerWaalsContact C-N 3.29Å; K1005-K1007 PolarHBondContact O-N 3.45Å; K1005-H1008 PolarHBondContact O-N 3.02Å; K1005-E1009 WeakPolarHBondContact CE-OE1 3.39Å; K1005-E1009 IonicContact NZ-OE1 3.96Å; K1005-E1009 WeakPolarHBondContact O-CG 3.32Å; K1005-E1009 PolarHBondContact O-N 2.87Å
1006	V	77.8	Confident	75.9	Confident	88 Å²	88	100.7 Å²	100.7	53%	0.533	50%	0.498	S	S	.	.	H	α-helix	trans	-61.8	-37.7	178	171.7	0	0	0	0	111.3	H1002 E1009 L1010	H1002-V1006 WeakPolarHBondContact O-CG2 3.2Å; H1002-V1006 PolarHBondContact O-N 2.89Å; V1006-E1009 PolarHBondContact O-N 2.75Å; V1006-L1010 WeakPolarHBondContact O-CB 3.39Å; V1006-L1010 PolarHBondContact O-N 3.04Å
1007	K	75.8	Confident	76.8	Confident	127 Å²	127	99 Å²	99	55%	0.552	49%	0.492	S	S	*	.	H	α-helix	trans	-67.5	-39.6	176.2	-167.5	171	-172.5	171.4	0	112.2	L1003 W1004 K1005 L1010 D1011	L1003-K1007 WeakPolarHBondContact O-CB 3.4Å; L1003-K1007 PolarHBondContact O-N 3.2Å; W1004-K1007 PolarHBondContact O-N 2.84Å; K1005-K1007 VanDerWaalsContact C-N 3.29Å; K1005-K1007 PolarHBondContact O-N 3.45Å; K1007-L1010 PolarHBondContact O-N 2.88Å; K1007-D1011 PolarHBondContact O-N 3.19Å
1008	H	84	Confident	77.2	Confident	100 Å²	100	101.5 Å²	101.5	46%	0.463	49%	0.488	S	S	.	.	H	α-helix	trans	-65.7	-43.4	173.7	-175.5	78.6	0	0	0	111.9	W1004 K1005 L1010 D1011 M1012	W1004-H1008 HydrophobicContact CE3-CB 4.47Å; W1004-H1008 HydrophobicContact CZ3-CB 4.32Å; W1004-H1008 WeakPolarHBondContact O-CB 3.26Å; W1004-H1008 PolarHBondContact O-N 3.32Å; K1005-H1008 PolarHBondContact O-N 3.02Å; H1008-L1010 PolarHBondContact O-N 3.37Å; H1008-D1011 PolarHBondContact O-N 3.46Å; H1008-M1012 WeakPolarHBondContact O-CB 3.39Å; H1008-M1012 PolarHBondContact O-N 2.87Å
1009	E	83.5	Confident	77.6	Confident	96 Å²	96	101.7 Å²	101.7	45%	0.449	49%	0.487	S	S	.	.	H	α-helix	trans	-63.1	-38.6	174.9	-73.4	171	179.3	0	0	112.1	K1005 V1006 S1013	K1005-E1009 WeakPolarHBondContact CE-OE1 3.39Å; K1005-E1009 IonicContact NZ-OE1 3.96Å; K1005-E1009 WeakPolarHBondContact O-CG 3.32Å; K1005-E1009 PolarHBondContact O-N 2.87Å; V1006-E1009 PolarHBondContact O-N 2.75Å; E1009-S1013 VanDerWaalsContact O-CB 3.29Å; E1009-S1013 WeakPolarHBondContact O-CB 3.4Å; E1009-S1013 PolarHBondContact O-N 2.97Å; E1009-S1013 PolarHBondContact O-OG 2.9Å
1010	L	79.4	Confident	78.1	Confident	82 Å²	82	104 Å²	104	43%	0.429	49%	0.494	S	S	.	.	H	α-helix	trans	-64.2	-46.1	174.5	-176.9	69.1	0	0	0	112.3	V1006 K1007 H1008 S1013 R1014	V1006-L1010 WeakPolarHBondContact O-CB 3.39Å; V1006-L1010 PolarHBondContact O-N 3.04Å; K1007-L1010 PolarHBondContact O-N 2.88Å; H1008-L1010 PolarHBondContact O-N 3.37Å; L1010-S1013 WeakPolarHBondContact O-CB 3.35Å; L1010-S1013 PolarHBondContact O-N 3.25Å; L1010-R1014 WeakPolarHBondContact O-CG 3.36Å; L1010-R1014 PolarHBondContact O-N 2.9Å
1011	D	79.6	Confident	78.3	Confident	68 Å²	68	105.9 Å²	105.9	36%	0.364	50%	0.501	S	S	.	.	H	α-helix	trans	-75.2	-31.7	-179.2	-74.6	-25.8	0	0	0	112.5	K1007 H1008 S1013 R1014 L1015	K1007-D1011 PolarHBondContact O-N 3.19Å; H1008-D1011 PolarHBondContact O-N 3.46Å; D1011-S1013 VanDerWaalsContact C-N 3.34Å; D1011-R1014 PolarHBondContact O-N 3.47Å; D1011-R1014 VanDerWaalsContact OD1-CD 3.26Å; D1011-R1014 WeakPolarHBondContact OD1-CD 3.37Å; D1011-R1014 IonicContact OD1-CZ 3.75Å; D1011-R1014 IonicContact OD1-NE 3.05Å; D1011-R1014 IonicContact OD1-NH1 3.67Å; D1011-R1014 PolarHBondContact OD1-NH1 2.9Å; D1011-L1015 WeakPolarHBondContact O-CG 3.29Å; D1011-L1015 PolarHBondContact O-N 3.49Å
1012	M	82.6	Confident	78.3	Confident	81 Å²	81	108.7 Å²	108.7	40%	0.399	51%	0.506	S	S	.	.	H	α-helix	trans	-63.1	-38.9	165.6	-84.7	-66.9	-71.2	0	0	112.2	H1008 L1015 R1016	H1008-M1012 WeakPolarHBondContact O-CB 3.39Å; H1008-M1012 PolarHBondContact O-N 2.87Å; M1012-L1015 PolarHBondContact O-N 3Å; M1012-L1015 HydrophobicContact SD-CD1 4.47Å; M1012-R1016 PolarHBondContact O-N 2.84Å
1013	S	75.6	Confident	78.5	Confident	62 Å²	62	106.6 Å²	106.6	43%	0.434	50%	0.501	S	S	.	.	H	α-helix	trans	-65.8	-41.6	174.8	-60.8	0	0	0	0	111.4	E1009 L1010 D1011 L1015 R1016 V1017	E1009-S1013 VanDerWaalsContact O-CB 3.29Å; E1009-S1013 WeakPolarHBondContact O-CB 3.4Å; E1009-S1013 PolarHBondContact O-N 2.97Å; E1009-S1013 PolarHBondContact O-OG 2.9Å; L1010-S1013 WeakPolarHBondContact O-CB 3.35Å; L1010-S1013 PolarHBondContact O-N 3.25Å; D1011-S1013 VanDerWaalsContact C-N 3.34Å; S1013-L1015 PolarHBondContact O-N 3.37Å; S1013-R1016 PolarHBondContact O-N 3.49Å; S1013-V1017 WeakPolarHBondContact O-CG2 3.43Å; S1013-V1017 PolarHBondContact O-N 3Å
1014	R	75.3	Confident	78.1	Confident	126 Å²	126	105.5 Å²	105.5	48%	0.475	50%	0.495	S	S	.	.	H	α-helix	trans	-64	-36.9	173.4	-73	161.4	167.2	171.3	-2.8	113	L1010 D1011 R1018	L1010-R1014 WeakPolarHBondContact O-CG 3.36Å; L1010-R1014 PolarHBondContact O-N 2.9Å; D1011-R1014 PolarHBondContact O-N 3.47Å; D1011-R1014 VanDerWaalsContact OD1-CD 3.26Å; D1011-R1014 WeakPolarHBondContact OD1-CD 3.37Å; D1011-R1014 IonicContact OD1-CZ 3.75Å; D1011-R1014 IonicContact OD1-NE 3.05Å; D1011-R1014 IonicContact OD1-NH1 3.67Å; D1011-R1014 PolarHBondContact OD1-NH1 2.9Å; R1014-R1018 WeakPolarHBondContact O-CG 3.32Å; R1014-R1018 PolarHBondContact O-N 3.36Å
1015	L	81.6	Confident	77.8	Confident	91 Å²	91	102.3 Å²	102.3	48%	0.476	49%	0.491	S	S	.	.	H	α-helix	trans	-66.1	-42.7	173	-77.6	167.4	0	0	0	111.4	D1011 M1012 S1013 R1018 Q1019	D1011-L1015 WeakPolarHBondContact O-CG 3.29Å; D1011-L1015 PolarHBondContact O-N 3.49Å; M1012-L1015 PolarHBondContact O-N 3Å; M1012-L1015 HydrophobicContact SD-CD1 4.47Å; S1013-L1015 PolarHBondContact O-N 3.37Å; L1015-R1018 PolarHBondContact O-N 2.9Å; L1015-Q1019 WeakPolarHBondContact O-CG 3.45Å; L1015-Q1019 PolarHBondContact O-N 2.88Å
1016	R	82.7	Confident	77.4	Confident	157 Å²	157	105.3 Å²	105.3	59%	0.592	50%	0.504	S	S	*	.	H	α-helix	trans	-62.6	-43.5	173.2	-78.1	178.5	171	168.8	-2.6	112.5	M1012 S1013 R1018 Q1019 L1020	M1012-R1016 PolarHBondContact O-N 2.84Å; S1013-R1016 PolarHBondContact O-N 3.49Å; R1016-R1018 PolarHBondContact O-N 2.89Å; R1016-Q1019 PolarHBondContact O-N 3.38Å; R1016-Q1019 VanDerWaalsContact O-N 3.17Å; R1016-L1020 WeakPolarHBondContact O-CB 3.34Å; R1016-L1020 WeakPolarHBondContact O-CG 2.88Å; R1016-L1020 PolarHBondContact O-N 3.49Å
1017	V	75.8	Confident	77.3	Confident	75 Å²	75	107.9 Å²	107.9	46%	0.455	51%	0.51	S	S	.	.	H	α-helix	trans	-58.6	-47.4	174	169.6	0	0	0	0	110.4	S1013 Q1019 L1020 E1021	S1013-V1017 WeakPolarHBondContact O-CG2 3.43Å; S1013-V1017 PolarHBondContact O-N 3Å; V1017-Q1019 VanDerWaalsContact C-N 3.29Å; V1017-Q1019 PolarHBondContact O-N 2.7Å; V1017-L1020 CarbonylContact O-C 3.51Å; V1017-L1020 WeakPolarHBondContact O-CB 3.29Å; V1017-L1020 PolarHBondContact O-N 3.27Å; V1017-L1020 VanDerWaalsContact O-N 3.11Å; V1017-E1021 HydrophobicContact CG1-CG 4.32Å; V1017-E1021 WeakPolarHBondContact O-CG 3.48Å; V1017-E1021 PolarHBondContact O-N 3.28Å
1018	R	76.7	Confident	76.6	Confident	153 Å²	153	105 Å²	105	58%	0.577	52%	0.516	S	S	*	.	H	α-helix	trans	-65.4	-26.6	176	-72.3	171.7	178.5	164.4	-0.2	114.7	R1014 L1015 R1016 E1021 K1022	R1014-R1018 WeakPolarHBondContact O-CG 3.32Å; R1014-R1018 PolarHBondContact O-N 3.36Å; L1015-R1018 PolarHBondContact O-N 2.9Å; R1016-R1018 PolarHBondContact O-N 2.89Å; R1018-E1021 WeakPolarHBondContact CA-OE2 3.4Å; R1018-K1022 WeakPolarHBondContact O-CB 3.5Å; R1018-K1022 VanDerWaalsContact O-CG 3.29Å; R1018-K1022 WeakPolarHBondContact O-CG 3.33Å; R1018-K1022 PolarHBondContact O-N 3.24Å
1019	Q	81.2	Confident	75.8	Confident	127 Å²	127	105.3 Å²	105.3	59%	0.593	52%	0.52	S	S	*	.	H	α-helix	trans	-74.5	-41.1	171.3	-76.1	173.2	-26.2	0	0	111	L1015 R1016 V1017 K1022 V1023	L1015-Q1019 WeakPolarHBondContact O-CG 3.45Å; L1015-Q1019 PolarHBondContact O-N 2.88Å; R1016-Q1019 PolarHBondContact O-N 3.38Å; R1016-Q1019 VanDerWaalsContact O-N 3.17Å; V1017-Q1019 VanDerWaalsContact C-N 3.29Å; V1017-Q1019 PolarHBondContact O-N 2.7Å; Q1019-K1022 PolarHBondContact O-N 3.37Å; Q1019-V1023 VanDerWaalsContact O-CG2 3.3Å; Q1019-V1023 WeakPolarHBondContact O-CG2 3.31Å; Q1019-V1023 PolarHBondContact O-N 3.31Å
1020	L	75.3	Confident	74.7	Confident	108 Å²	108	109.7 Å²	109.7	57%	0.565	54%	0.538	S	S	*	.	H	α-helix	trans	-65.2	-44.7	175.3	-72	164.3	0	0	0	111.6	R1016 V1017 K1022 V1023 M1024	R1016-L1020 WeakPolarHBondContact O-CB 3.34Å; R1016-L1020 WeakPolarHBondContact O-CG 2.88Å; R1016-L1020 PolarHBondContact O-N 3.49Å; V1017-L1020 CarbonylContact O-C 3.51Å; V1017-L1020 WeakPolarHBondContact O-CB 3.29Å; V1017-L1020 PolarHBondContact O-N 3.27Å; V1017-L1020 VanDerWaalsContact O-N 3.11Å; L1020-K1022 PolarHBondContact O-N 3.43Å; L1020-V1023 CarbonylContact O-C 3.55Å; L1020-V1023 WeakPolarHBondContact O-CA 3.47Å; L1020-V1023 PolarHBondContact O-N 3.17Å; L1020-M1024 WeakPolarHBondContact O-CB 3.46Å; L1020-M1024 WeakPolarHBondContact O-CG 3.3Å; L1020-M1024 PolarHBondContact O-N 3.11Å
1021	E	72.2	Confident	73.4	Confident	91 Å²	91	108.1 Å²	108.1	43%	0.425	54%	0.536	S	S	.	.	H	α-helix	trans	-52.6	-52	170.7	-72.3	168.6	160.1	0	0	110.5	V1017 R1018 V1023 M1024 D1025	V1017-E1021 HydrophobicContact CG1-CG 4.32Å; V1017-E1021 WeakPolarHBondContact O-CG 3.48Å; V1017-E1021 PolarHBondContact O-N 3.28Å; R1018-E1021 WeakPolarHBondContact CA-OE2 3.4Å; E1021-V1023 PolarHBondContact O-N 3.27Å; E1021-M1024 PolarHBondContact O-N 3.49Å; E1021-M1024 VanDerWaalsContact O-N 3.17Å; E1021-D1025 WeakPolarHBondContact O-CB 3.36Å; E1021-D1025 PolarHBondContact O-N 3.34Å
1022	K	77.2	Confident	72	Confident	147 Å²	147	110.5 Å²	110.5	64%	0.639	56%	0.555	S	S	*	*	H	α-helix	trans	-65.7	-17.9	176.7	-75.1	179.6	177.4	-173.2	0	115	R1018 Q1019 L1020 K1026	R1018-K1022 WeakPolarHBondContact O-CB 3.5Å; R1018-K1022 VanDerWaalsContact O-CG 3.29Å; R1018-K1022 WeakPolarHBondContact O-CG 3.33Å; R1018-K1022 PolarHBondContact O-N 3.24Å; Q1019-K1022 PolarHBondContact O-N 3.37Å; L1020-K1022 PolarHBondContact O-N 3.43Å; K1022-K1026 VanDerWaalsContact O-CG 3.31Å; K1022-K1026 WeakPolarHBondContact O-CG 3.35Å
1023	V	78.1	Confident	70.4	Confident	75 Å²	75	115 Å²	115	46%	0.455	58%	0.576	S	S	.	*	H	α-helix	trans	-88	-38.1	172.8	167.7	0	0	0	0	110.5	Q1019 L1020 E1021 K1026 H1027	Q1019-V1023 VanDerWaalsContact O-CG2 3.3Å; Q1019-V1023 WeakPolarHBondContact O-CG2 3.31Å; Q1019-V1023 PolarHBondContact O-N 3.31Å; L1020-V1023 CarbonylContact O-C 3.55Å; L1020-V1023 WeakPolarHBondContact O-CA 3.47Å; L1020-V1023 PolarHBondContact O-N 3.17Å; E1021-V1023 PolarHBondContact O-N 3.27Å; V1023-K1026 WeakPolarHBondContact O-CB 3.48Å; V1023-K1026 PolarHBondContact O-N 2.93Å; V1023-H1027 PolarHBondContact O-N 3.31Å; V1023-H1027 PolarHBondContact O-ND1 2.91Å
1024	M	67.6	Low	68.8	Low	68 Å²	68	119.6 Å²	119.6	34%	0.335	60%	0.595	S	S	.	*	H	α-helix	trans	-66.7	-43.6	174.7	-71.9	179.7	64.6	0	0	111.8	L1020 E1021 K1026 H1027 G1028 I1029 A1031	L1020-M1024 WeakPolarHBondContact O-CB 3.46Å; L1020-M1024 WeakPolarHBondContact O-CG 3.3Å; L1020-M1024 PolarHBondContact O-N 3.11Å; E1021-M1024 PolarHBondContact O-N 3.49Å; E1021-M1024 VanDerWaalsContact O-N 3.17Å; M1024-K1026 VanDerWaalsContact C-N 3.27Å; M1024-K1026 PolarHBondContact O-N 3.35Å; M1024-H1027 CarbonylContact O-C 3.53Å; M1024-H1027 WeakPolarHBondContact O-CA 3.49Å; M1024-H1027 PolarHBondContact O-N 2.79Å; M1024-G1028 PolarHBondContact O-N 3.17Å; M1024-I1029 WeakPolarHBondContact CB-O 3.5Å; M1024-I1029 HydrophobicContact CE-CB 4.5Å; M1024-I1029 HydrophobicContact CE-CG2 3.95Å; M1024-I1029 PolarHBondContact O-N 3.21Å; M1024-A1031 HydrophobicContact CE-CB 3.91Å
1025	D	69.7	Low	67.1	Low	109 Å²	109	123.1 Å²	123.1	58%	0.583	61%	0.608	S	S	*	*	H	α-helix	trans	-56.6	-41.1	171.7	-77.5	-27.3	0	0	0	111.4	E1021 H1027 G1028	E1021-D1025 WeakPolarHBondContact O-CB 3.36Å; E1021-D1025 PolarHBondContact O-N 3.34Å; D1025-H1027 VanDerWaalsContact C-N 3.25Å; D1025-H1027 PolarHBondContact O-N 2.83Å; D1025-G1028 PolarHBondContact O-N 3.48Å; D1025-G1028 VanDerWaalsContact O-N 3.14Å
1026	K	74.1	Confident	64.9	Low	181 Å²	181	126.1 Å²	126.1	79%	0.787	62%	0.623	S	S	*	*	H	α-helix	trans	-67.9	-20.3	175.6	-82.4	-177.7	174.6	-168.6	0	114.3	K1022 V1023 M1024	K1022-K1026 VanDerWaalsContact O-CG 3.31Å; K1022-K1026 WeakPolarHBondContact O-CG 3.35Å; V1023-K1026 WeakPolarHBondContact O-CB 3.48Å; V1023-K1026 PolarHBondContact O-N 2.93Å; M1024-K1026 VanDerWaalsContact C-N 3.27Å; M1024-K1026 PolarHBondContact O-N 3.35Å
1027	H	74.6	Confident	62.6	Low	141 Å²	141	123.5 Å²	123.5	65%	0.653	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	8.8	173.7	-67.4	82.7	0	0	0	112.4	V1023 M1024 D1025 I1029	V1023-H1027 PolarHBondContact O-N 3.31Å; V1023-H1027 PolarHBondContact O-ND1 2.91Å; M1024-H1027 CarbonylContact O-C 3.53Å; M1024-H1027 WeakPolarHBondContact O-CA 3.49Å; M1024-H1027 PolarHBondContact O-N 2.79Å; D1025-H1027 VanDerWaalsContact C-N 3.25Å; D1025-H1027 PolarHBondContact O-N 2.83Å; H1027-I1029 VanDerWaalsContact C-N 3.28Å; H1027-I1029 PolarHBondContact O-N 3.35Å
1028	G	62.4	Low	60.4	Low	67 Å²	67	123.1 Å²	123.1	69%	0.691	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	75.4	5.7	176.5	0	0	0	0	0	115.7	M1024 D1025 K1030	M1024-G1028 PolarHBondContact O-N 3.17Å; D1025-G1028 PolarHBondContact O-N 3.48Å; D1025-G1028 VanDerWaalsContact O-N 3.14Å; G1028-K1030 PolarHBondContact O-N 3.14Å
1029	I	66.2	Low	58.3	Low	106 Å²	106	122.3 Å²	122.3	54%	0.544	65%	0.654	S	S	.	*			trans	-95.6	99.4	-176.4	-56.1	177.3	0	0	0	109.3	M1024 H1027 A1031	M1024-I1029 WeakPolarHBondContact CB-O 3.5Å; M1024-I1029 HydrophobicContact CE-CB 4.5Å; M1024-I1029 HydrophobicContact CE-CG2 3.95Å; M1024-I1029 PolarHBondContact O-N 3.21Å; H1027-I1029 VanDerWaalsContact C-N 3.28Å; H1027-I1029 PolarHBondContact O-N 3.35Å; I1029-A1031 PolarHBondContact O-N 2.84Å
1030	K	60.1	Low	56.1	Low	189 Å²	189	119.7 Å²	119.7	82%	0.822	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-65.1	121.3	171.6	-74.9	-177.9	176.5	176.3	0	110.2	G1028	G1028-K1030 PolarHBondContact O-N 3.14Å
1031	A	52.8	Low	54	Low	48 Å²	48	119.6 Å²	119.6	40%	0.397	65%	0.65	S	S	.	*	P	Polyproline II helix	trans	-63.6	146.1	171.3	0	0	0	0	0	111.1	M1024 I1029 Q1033	M1024-A1031 HydrophobicContact CE-CB 3.91Å; I1029-A1031 PolarHBondContact O-N 2.84Å; A1031-Q1033 PolarHBondContact O-N 2.99Å
1032	P	51.1	Low	52.1	Low	118 Å²	118	123.4 Å²	123.4	77%	0.766	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-63.6	135.3	172.8	27.7	-34.1	0	0	0	110	L1034	P1032-L1034 PolarHBondContact O-N 3.04Å
1033	Q	48.1	Very low	50.2	Low	177 Å²	177	123.4 Å²	123.4	83%	0.827	68%	0.678	S	S	*	*			trans	-69.3	96.1	177.7	-75.2	-169.7	-13.2	0	0	110.8	A1031 R1035	A1031-Q1033 PolarHBondContact O-N 2.99Å; Q1033-R1035 VanDerWaalsContact C-N 3.27Å; Q1033-R1035 PolarHBondContact O-N 3.06Å
1034	L	41.2	Very low	47.9	Very low	158 Å²	158	127 Å²	127	83%	0.827	70%	0.695	S	S	*	*			trans	-61.9	90.1	162	-105.5	163	0	0	0	108.9	P1032 L1036	P1032-L1034 PolarHBondContact O-N 3.04Å; L1034-L1036 VanDerWaalsContact C-N 3.28Å; L1034-L1036 PolarHBondContact O-N 3.34Å
1035	R	39.5	Very low	46.1	Very low	200 Å²	200	132.7 Å²	132.7	76%	0.755	72%	0.72	S	S	*	*			trans	-64.6	91.2	166.4	-70.9	-167.9	-175.4	-167	6.3	108.5	Q1033 A1037 D1041	Q1033-R1035 VanDerWaalsContact C-N 3.27Å; Q1033-R1035 PolarHBondContact O-N 3.06Å; R1035-A1037 PolarHBondContact O-N 2.97Å; R1035-D1041 IonicContact NH1-OD2 3.91Å
1036	L	36.3	Very low	44.2	Very low	153 Å²	153	136.8 Å²	136.8	80%	0.801	74%	0.735	S	S	*	*			trans	-56.1	120.2	153.1	-94.3	71.3	0	0	0	106.4	L1034 S1038	L1034-L1036 VanDerWaalsContact C-N 3.28Å; L1034-L1036 PolarHBondContact O-N 3.34Å; L1036-S1038 PolarHBondContact O-N 3.03Å
1037	A	34.3	Very low	41.9	Very low	102 Å²	102	136.7 Å²	136.7	84%	0.843	74%	0.738	S	S	*	*			trans	-62.2	108.5	-176.4	0	0	0	0	0	110.3	R1035	R1035-A1037 PolarHBondContact O-N 2.97Å
1038	S	30	Very low	39.6	Very low	68 Å²	68	137.4 Å²	137.4	48%	0.476	75%	0.745	S	S	.	*			trans	-65.1	144.3	160.3	46.4	0	0	0	0	108.6	L1036 S1040	L1036-S1038 PolarHBondContact O-N 3.03Å; S1038-S1040 WeakPolarHBondContact CB-OG 3.49Å; S1038-S1040 PolarHBondContact O-N 2.78Å; S1038-S1040 PolarHBondContact OG-OG 2.79Å
1039	S	32.1	Very low	38	Very low	135 Å²	135	142.1 Å²	142.1	94%	0.944	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	39.1	-177.3	62.2	0	0	0	0	113.2
1040	S	34.8	Very low	36.1	Very low	73 Å²	73	145.5 Å²	145.5	51%	0.51	76%	0.76	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.2	-28.1	-175.5	52.2	0	0	0	0	112.9	S1038	S1038-S1040 WeakPolarHBondContact CB-OG 3.49Å; S1038-S1040 PolarHBondContact O-N 2.78Å; S1038-S1040 PolarHBondContact OG-OG 2.79Å
1041	D	30.8	Very low	34.5	Very low	105 Å²	105	146.4 Å²	146.4	56%	0.561	76%	0.759	S	S	*	*	S	Bend	trans	-97.4	-1.1	-165.5	-68.2	25.6	0	0	0	113	R1035 L1043	R1035-D1041 IonicContact NH1-OD2 3.91Å; D1041-L1043 VanDerWaalsContact C-N 3.26Å; D1041-L1043 PolarHBondContact O-N 3.18Å
1042	L	32.7	Very low	33.4	Very low	171 Å²	171	149.5 Å²	149.5	90%	0.895	77%	0.774	S	S	*	*	S	Bend	trans	-88.1	13.4	178.6	-128.1	169.3	0	0	0	113
1043	L	37.9	Very low	33.1	Very low	148 Å²	148	149.1 Å²	149.1	78%	0.775	77%	0.772	S	S	*	*	S	Bend	trans	-147.7	47.8	-171.6	-137.2	160.8	0	0	0	112.7	D1041	D1041-L1043 VanDerWaalsContact C-N 3.26Å; D1041-L1043 PolarHBondContact O-N 3.18Å
1044	N	30.4	Very low	32.1	Very low	150 Å²	150	147.9 Å²	147.9	80%	0.802	77%	0.77	S	S	*	*			trans	-169.9	69.5	154.6	-104	-27.9	0	0	0	114.5
1045	H	28.5	Very low	31.5	Very low	187 Å²	187	148.7 Å²	148.7	87%	0.866	78%	0.775	S	S	*	*			trans	-153	100.8	157.6	-109	23	0	0	0	111.4
1046	H	29.5	Very low	30.9	Very low	195 Å²	195	142.3 Å²	142.3	90%	0.903	77%	0.771	S	S	*	*			trans	-166.2	83	140.6	-102.3	-61.1	0	0	0	110.1
1047	H	26.7	Very low	30.4	Very low	180 Å²	180	142.3 Å²	142.3	83%	0.833	77%	0.772	S	S	*	*			trans	-115.1	151.8	154.4	-114.1	-83	0	0	0	107.9
1048	L	26.7	Very low	30.1	Very low	155 Å²	155	145 Å²	145	81%	0.812	77%	0.771	S	S	*	*			trans	61.3	105.3	172	-63.1	165.6	0	0	0	116.4
1049	K	27.8	Very low	30	Very low	167 Å²	167	146.6 Å²	146.6	73%	0.726	78%	0.782	S	S	*	*			trans	-151.5	77.9	141.2	-155.6	168.3	-168.9	171.5	0	112.8
1050	E	26.5	Very low	29.9	Very low	176 Å²	176	148.1 Å²	148.1	82%	0.822	78%	0.779	S	S	*	*			trans	-62.6	152.2	151.3	-65.8	-177.1	136.1	0	0	109.8
1051	R	26.8	Very low	29.5	Very low	209 Å²	209	149 Å²	149	79%	0.789	79%	0.79	S	S	*	*			trans	-156.4	124.7	163.3	-101.3	-167.6	174	-172.8	-5.6	110.9
1052	P	29.3	Very low	29.3	Very low	112 Å²	112	148.7 Å²	148.7	73%	0.727	80%	0.802	S	S	*	*			trans	-103.4	-174.6	140.7	41.8	-34.5	0	0	0	108.2
1053	P	45.9	Very low	29	Very low	110 Å²	110	146.4 Å²	146.4	71%	0.714	80%	0.801	S	S	*	*				-137.8	-166.4	-97	36.1	-13.5	0	0	0	114.8
1054	L	26.7	Very low	28.5	Very low	151 Å²	151	144.3 Å²	144.3	79%	0.791	81%	0.805	S	S	*	*			trans	76.7	149.9	160.1	-66	167.1	0	0	0	120
1055	L	29.4	Very low	28.5	Very low	176 Å²	176	145.9 Å²	145.9	92%	0.921	81%	0.808	S	S	*	*			trans	60	137.3	172.4	-66.7	132.5	0	0	0	117.3
1056	G	26.4	Very low	28.5	Very low	65 Å²	65	144.1 Å²	144.1	67%	0.67	80%	0.804	S	S	*	*			cis	164.6	138.6	-11.3	0	0	0	0	0	113.9
1057	N	26.3	Very low	28.4	Very low	154 Å²	154	142.6 Å²	142.6	82%	0.824	80%	0.802	S	S	*	*			trans	65.7	131.1	160.6	-77.2	-3.1	0	0	0	122
1058	L	28	Very low	28.4	Very low	159 Å²	159	144.8 Å²	144.8	83%	0.832	80%	0.804	S	S	*	*			trans	63.2	145.8	155.1	-81.8	80.3	0	0	0	117.2
1059	S	27.4	Very low	28.4	Very low	101 Å²	101	149 Å²	149	71%	0.706	81%	0.81	S	S	*	*			cis	-161.7	-179.8	-4.9	58.5	0	0	0	0	108.4
1060	L	28.6	Very low	28.3	Very low	166 Å²	166	145.4 Å²	145.4	87%	0.869	81%	0.806	S	S	*	*			cis	-140.5	-86.2	7.2	-154.2	171.2	0	0	0	112.6
1061	A	27.1	Very low	28.2	Very low	91 Å²	91	147.7 Å²	147.7	75%	0.752	81%	0.808	S	S	*	*			trans	-151.1	162.8	-172.7	0	0	0	0	0	115.2
1062	A	27.3	Very low	28.2	Very low	99 Å²	99	147.6 Å²	147.6	82%	0.818	81%	0.814	S	S	*	*			trans	-52.1	158.1	178.9	0	0	0	0	0	117.4
1063	S	26.2	Very low	28.1	Very low	124 Å²	124	148.4 Å²	148.4	87%	0.867	82%	0.816	S	S	*	*				170.8	88.2	128.7	-174.1	0	0	0	0	111.5
1064	A	27.4	Very low	27.2	Very low	104 Å²	104	151.9 Å²	151.9	86%	0.86	82%	0.823	S	S	*	*			trans	-166.4	33	169.5	0	0	0	0	0	114
1065	Q	30	Very low	27.3	Very low	183 Å²	183	152.9 Å²	152.9	86%	0.855	83%	0.828	S	S	*	*			trans	-87.6	170.2	160.6	-81.6	168.2	-82.8	0	0	109.5
1066	D	27.9	Very low	27.2	Very low	150 Å²	150	149.4 Å²	149.4	80%	0.802	82%	0.824	S	S	*	*	S	Bend	trans	64.6	56.2	177.6	-59	-26.1	0	0	0	117.3
1067	L	29.1	Very low	27.3	Very low	162 Å²	162	155.5 Å²	155.5	85%	0.848	84%	0.835	S	S	*	*	S	Bend	trans	-160.2	55	143.8	-114.7	166.9	0	0	0	115.8
1068	Y	26.6	Very low	27.4	Very low	226 Å²	226	156.9 Å²	156.9	89%	0.886	84%	0.839	S	S	*	*			trans	-167.1	72.4	140.9	-126.1	-92.9	0	0	0	112.8
1069	R	26.5	Very low	27.5	Very low	244 Å²	244	158.6 Å²	158.6	92%	0.921	84%	0.843	S	S	*	*			trans	-103.5	93.1	173.4	-174.4	-179.4	-175.5	169.9	2.2	110.7
1070	S	24.9	Very low	27.5	Very low	92 Å²	92	159.8 Å²	159.8	64%	0.643	85%	0.846	S	S	*	*			trans	-157.2	142.9	163.7	-162	0	0	0	0	111.3
1071	Y	24.7	Very low	27.5	Very low	224 Å²	224	158.5 Å²	158.5	88%	0.878	85%	0.845	S	S	*	*	S	Bend	trans	54.4	66.4	172.3	-88.9	-89.7	0	0	0	118.5
1072	K	26	Very low	27.5	Very low	207 Å²	207	165.6 Å²	165.6	90%	0.9	87%	0.868	S	S	*	*				-165.6	97.7	113.2	-111.2	-175	176.2	-170.2	0	113
1073	T	27.5	Very low	27.5	Very low	128 Å²	128	168.9 Å²	168.9	79%	0.785	87%	0.871	S	S	*	*			trans	-97.4	127.2	153.6	43.3	0	0	0	0	108.1
1074	E	27.2	Very low	27.6	Very low	183 Å²	183	171.3 Å²	171.3	86%	0.855	87%	0.871	S	S	*	*			trans	164	154.5	140.4	-93.4	173.2	-167.6	0	0	110.7
1075	I	28.1	Very low	27.6	Very low	173 Å²	173	175 Å²	175	89%	0.887	87%	0.872	S	S	*	*	S	Bend	trans	66.1	71	177.9	-40.3	177.1	0	0	0	114.6
1076	A	27.3	Very low	27.5	Very low	102 Å²	102	174.5 Å²	174.5	84%	0.843	87%	0.873	S	S	*	*			trans	-155.1	34.1	163	0	0	0	0	0	113.9
1077	E	29.4	Very low	27.4	Very low	193 Å²	193	176.1 Å²	176.1	90%	0.902	88%	0.877	S	S	*	*			trans	-138.3	90.3	171.4	-77.6	-168.1	153.9	0	0	110.7
1078	M	28.9	Very low	27.3	Very low	183 Å²	183	177 Å²	177	90%	0.901	88%	0.879	S	S	*	*			trans	-164.9	62.3	152.9	-134.3	177.5	171.5	0	0	112.8
1079	E	29.5	Very low	27.4	Very low	196 Å²	196	173.5 Å²	173.5	92%	0.916	88%	0.879	S	S	*	*			trans	-97.3	96.4	159.1	-79.7	-168.3	149.5	0	0	109.5
1080	T	28.3	Very low	27.5	Very low	126 Å²	126	168.1 Å²	168.1	77%	0.773	88%	0.875	S	S	*	*			trans	-171.9	145	154.6	6.3	0	0	0	0	109
1081	V	27.3	Very low	27.7	Very low	139 Å²	139	174.4 Å²	174.4	84%	0.842	90%	0.895	S	S	*	*			trans	68.5	70.9	-176.1	-162.7	0	0	0	0	114.3
1082	L	27.8	Very low	27.9	Very low	239 Å²	239	169.9 Å²	169.9	100%	1.251	90%	0.896	S	S	*	*				-154.1	0	103.5	-106.8	165	0	0	0	110.9

Retrieved 1,082 of 1,082 residues in 1130.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).