A0A5K4F1A3_SCHMA Loading...

Rho-GAP domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F1A3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 967 aa.

						>A0A5K4F1A3_SCHMA|A0A5K4F1A3
MYFEFKQTPNISTLSNKETESKVKKKHEDITILKQEFSSPLDGDNDNGEQFKLSKNSTEMKSSSSPSLESLNTMKITKVPKGASKIFVGRYKDKSVNRHFSISDAPIPLKFTPVNIELLPSDLLSDSQNKTIHELLSHNESFSESEQIKLLNNEDYMDIKETTNKIRSHLDYLLKHESQHLKILEQIKTSLDLIKQKRITNEIVTIRSSVNSIETIQKKFIHGLKVCLQNGDINYNQFLDPFKLLISRQIEISNYVGKISKLLKNLKPEKSDTLDSKSLNSFKLQEPTTWITQTVENIKTLVLLLDTDSPHYLELQKIYKRLLEESLNSNNSLEDKTTNDSNRLIMHSLVVELTSKTNSRKLRYLFLFKDVLICAKIKFTMGSRQRILHDNSSLGESRFRRKRSGKLSASSYELEIKWFIPMEEMSLLSNSRVGSDDRGRLQNQKNLDELKGTVRNLRQTMNRSSEDKHSSKNTSKLTSLSKLEGKLVLETPQLILPVADKSGHIHNILLSTERERTHWRSALEQLLDKPPQITDKFDSARRPTPEKLSTDYFPSLSRSRSSSIGDISERLKKYKHMVKLNRVGLSIIDKDEPITGYIKATVHGIDGLNEKNSYHVRIEVDSYGQYEEVACTRVLQQSNPRWEQSFDLEVDGAWTICFILYVHQEMLAELEVFLDLETLKNNSQIDANILTNENPPRDLTFSVSLEYVDQVNLNKNRRSEIRGNLFGRHLAELVRVPNDINNDECKIKYKSEVFIPRFVIACVEEIERRGLLVVGIYRVCGSNDNIKALKSEFDESCTLAIQRLPLVELPVITSLLKQFFQHLPESLIDHTTTIALLQAVEIPDESVRNQLIEDILVNLPTPNLETFNYLANHLVTVSNYKAQNKMDLGNLSLIWSYTLFECSSETTQSTEMNEQTKNGPSSKLHTAEIQAAFSFQQAKVLNCILRSMKSGKLTVPSHSNVIRPVYS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	24.9	Very low	28.5	Very low	230 Å²	230	177.2 Å²	177.2	100%	1.133	86%	0.859	S	S	*	*				0	101.9	0	-79.8	-171.8	-90.5	0	0	107.6
2	Y	23	Very low	28.3	Very low	205 Å²	205	170.1 Å²	170.1	80%	0.804	84%	0.841	S	S	*	*			trans	-91.9	115.9	172.4	-90.1	-92.5	0	0	0	107.9
3	F	30.6	Very low	28.3	Very low	185 Å²	185	166.4 Å²	166.4	81%	0.811	83%	0.834	S	S	*	*			trans	-104.3	105.2	160.8	-95.6	-84.6	0	0	0	107.2	F5	F3-F5 PolarHBondContact O-N 2.8Å
4	E	26.2	Very low	28.5	Very low	172 Å²	172	166.6 Å²	166.6	80%	0.804	84%	0.838	S	S	*	*			trans	-70.3	113.4	165.1	-81.8	-176.4	149.1	0	0	108.8	K6	E4-K6 PolarHBondContact O-N 3.08Å
5	F	32.7	Very low	28.4	Very low	196 Å²	196	161.4 Å²	161.4	86%	0.86	82%	0.823	S	S	*	*			trans	-85.3	105.6	163.6	-100.9	-87.4	0	0	0	109.1	F3 Q7	F3-F5 PolarHBondContact O-N 2.8Å; F5-Q7 PolarHBondContact O-N 2.91Å
6	K	29.4	Very low	28.6	Very low	180 Å²	180	159.8 Å²	159.8	78%	0.783	82%	0.817	S	S	*	*			trans	-68.7	124.5	163.1	-80.1	-177.2	175.7	178	0	109.2	E4	E4-K6 PolarHBondContact O-N 3.08Å
7	Q	26.9	Very low	28.7	Very low	193 Å²	193	160.5 Å²	160.5	90%	0.902	81%	0.813	S	S	*	*			trans	-61.6	136.2	164.2	-72.6	174.3	-15.8	0	0	110.2	F5	F5-Q7 PolarHBondContact O-N 2.91Å
8	T	30.7	Very low	28.8	Very low	131 Å²	131	160.1 Å²	160.1	80%	0.804	81%	0.807	S	S	*	*			trans	-132	138.3	155.3	43.6	0	0	0	0	109.6
9	P	29.9	Very low	29	Very low	123 Å²	123	159 Å²	159	80%	0.799	81%	0.81	S	S	*	*			trans	-90.7	162.9	-162.5	36.6	-35.4	0	0	0	114.4
10	N	27.1	Very low	28.9	Very low	165 Å²	165	160.1 Å²	160.1	88%	0.882	81%	0.812	S	S	*	*			trans	-30.4	128.8	169.6	-79	-33.7	0	0	0	115.9
11	I	31.7	Very low	28.8	Very low	169 Å²	169	157.2 Å²	157.2	87%	0.867	81%	0.806	S	S	*	*			trans	-139.5	120.9	144.4	-61.1	-176.5	0	0	0	108.9
12	S	26.5	Very low	29	Very low	92 Å²	92	155.5 Å²	155.5	64%	0.643	79%	0.793	S	S	*	*			trans	-76.2	159	173.9	50	0	0	0	0	112.7
13	T	28.8	Very low	29.4	Very low	122 Å²	122	153 Å²	153	75%	0.748	80%	0.798	S	S	*	*			trans	64	110.7	155.5	53.4	0	0	0	0	118.4
14	L	30.6	Very low	29.4	Very low	170 Å²	170	153.3 Å²	153.3	89%	0.89	80%	0.799	S	S	*	*				-171.6	133.7	114.8	-98.9	147.6	0	0	0	111.2
15	S	27.2	Very low	29.5	Very low	88 Å²	88	154.7 Å²	154.7	62%	0.615	80%	0.802	S	S	*	*			trans	-77.8	165.2	-174.8	59	0	0	0	0	114.1
16	N	32	Very low	29.2	Very low	136 Å²	136	153.9 Å²	153.9	73%	0.727	80%	0.799	S	S	*	*			trans	97.7	108	147.5	-69.4	-19.1	0	0	0	118.9
17	K	29.8	Very low	29.3	Very low	172 Å²	172	152.5 Å²	152.5	75%	0.748	80%	0.795	S	S	*	*				75.5	131.6	120.5	-75.6	-172	174.1	-171.8	0	118.9
18	E	31	Very low	29.5	Very low	153 Å²	153	150.2 Å²	150.2	72%	0.715	78%	0.784	S	S	*	*			trans	102.4	117.4	136.9	-84.2	165.2	-150.2	0	0	118.8
19	T	32.3	Very low	29.4	Very low	139 Å²	139	150.3 Å²	150.3	85%	0.853	78%	0.78	S	S	*	*			trans	103.2	121	136.5	57.6	0	0	0	0	120.1
20	E	26.4	Very low	29.4	Very low	181 Å²	181	152.8 Å²	152.8	85%	0.846	78%	0.784	S	S	*	*			trans	-61.9	159	176.8	-60.7	169	135.1	0	0	114.8
21	S	27.6	Very low	29.4	Very low	100 Å²	100	150.3 Å²	150.3	70%	0.699	78%	0.775	S	S	*	*			trans	100.1	126.4	134.6	82.6	0	0	0	0	119.7
22	K	28.5	Very low	29.2	Very low	194 Å²	194	149.1 Å²	149.1	84%	0.843	77%	0.769	S	S	*	*			trans	67	99.9	148.7	-67.5	171.2	178.8	170.7	0	118.3
23	V	30.8	Very low	29.1	Very low	152 Å²	152	152.2 Å²	152.2	92%	0.921	78%	0.778	S	S	*	*			trans	-139.9	124.2	134	-177.4	0	0	0	0	110.4
24	K	31.4	Very low	29	Very low	192 Å²	192	155.6 Å²	155.6	84%	0.835	78%	0.782	S	S	*	*			trans	-75.7	149.5	174.6	-76.5	171.3	170.6	174.1	0	111.4
25	K	27.5	Very low	28.9	Very low	200 Å²	200	156 Å²	156	87%	0.87	78%	0.779	S	S	*	*			trans	28.2	119.4	140.8	-67.8	-176.1	173.4	-176.5	0	118.5
26	K	27.4	Very low	28.9	Very low	180 Å²	180	159 Å²	159	78%	0.783	78%	0.784	S	S	*	*				165.2	130.5	111.3	-95.5	-176.4	174	-171	0	111.5
27	H	31.2	Very low	28.7	Very low	151 Å²	151	162.2 Å²	162.2	70%	0.699	79%	0.791	S	S	*	*			trans	163.1	104.7	134	-86.9	-58.8	0	0	0	106.5
28	E	31.4	Very low	28.5	Very low	144 Å²	144	158.3 Å²	158.3	67%	0.673	79%	0.786	S	S	*	*				66.1	136.8	87.2	-73.9	171.5	-166.6	0	0	110.3
29	D	28.9	Very low	28.4	Very low	134 Å²	134	156.3 Å²	156.3	72%	0.717	79%	0.789	S	S	*	*			cis	-176.5	115	-9.7	-111	-17.3	0	0	0	101.6
30	I	29.1	Very low	28.4	Very low	175 Å²	175	155.5 Å²	155.5	90%	0.897	79%	0.786	S	S	*	*			trans	-139.1	101.7	164.4	-58.7	-177.3	0	0	0	107.8
31	T	27.6	Very low	28.4	Very low	112 Å²	112	154.7 Å²	154.7	69%	0.687	79%	0.787	S	S	*	*			trans	-95.8	165.2	172.3	-43	0	0	0	0	109.3
32	I	26.9	Very low	28.7	Very low	144 Å²	144	158.2 Å²	158.2	74%	0.738	80%	0.797	S	S	*	*			trans	76.7	124.4	160.1	1.4	-174	0	0	0	115.9
33	L	25.6	Very low	28.8	Very low	158 Å²	158	152.2 Å²	152.2	83%	0.827	79%	0.791	S	S	*	*			cis	-147.9	127.3	27.1	-80.3	152.2	0	0	0	111.1
34	K	26.5	Very low	28.8	Very low	192 Å²	192	151.9 Å²	151.9	84%	0.835	78%	0.784	S	S	*	*			trans	-79.1	134.8	153.9	-83.3	-179.8	173.4	-179.1	0	107.9
35	Q	27.7	Very low	29	Very low	178 Å²	178	149 Å²	149	83%	0.832	78%	0.778	S	S	*	*			trans	-115.9	105.5	162.5	-149.8	171	9.2	0	0	107.4
36	E	26.7	Very low	29.2	Very low	152 Å²	152	145.6 Å²	145.6	71%	0.71	77%	0.769	S	S	*	*			trans	-74.9	133.7	172	-67.5	175.5	162.8	0	0	109.2
37	F	28.8	Very low	29.4	Very low	203 Å²	203	143.8 Å²	143.8	89%	0.89	77%	0.768	S	S	*	*			trans	-119.8	101.9	151.2	-89.2	-80.5	0	0	0	107.2
38	S	25.2	Very low	29.3	Very low	91 Å²	91	139.9 Å²	139.9	64%	0.636	77%	0.768	S	S	*	*			trans	-101.7	161.3	169.8	46.8	0	0	0	0	109.9
39	S	29.7	Very low	29.3	Very low	111 Å²	111	140.8 Å²	140.8	78%	0.776	77%	0.773	S	S	*	*			trans	102.7	146.4	162.4	77.9	0	0	0	0	117.6
40	P	31.4	Very low	29.2	Very low	121 Å²	121	141 Å²	141	79%	0.786	77%	0.769	S	S	*	*			cis	-136.4	168.7	-34.5	30.4	-10.8	0	0	0	114.2
41	L	27	Very low	29.1	Very low	165 Å²	165	139.9 Å²	139.9	86%	0.864	76%	0.758	S	S	*	*			trans	-58.9	139.4	167.3	-66.5	149.6	0	0	0	111.4
42	D	33.2	Very low	29.1	Very low	173 Å²	173	142.3 Å²	142.3	93%	0.925	76%	0.759	S	S	*	*			trans	-138.5	131.2	144.5	-92.9	-31.6	0	0	0	108
43	G	30.1	Very low	29.1	Very low	68 Å²	68	142.4 Å²	142.4	70%	0.701	76%	0.761	S	S	*	*			trans	-96.4	-163.3	-173.1	0	0	0	0	0	114
44	D	32.5	Very low	29.2	Very low	145 Å²	145	139.8 Å²	139.8	78%	0.775	76%	0.755	S	S	*	*			trans	87.5	103	164.5	-64.7	-7.7	0	0	0	118.9
45	N	34.1	Very low	29.3	Very low	133 Å²	133	139.2 Å²	139.2	71%	0.711	75%	0.753	S	S	*	*				81.2	103.9	116.6	-69	-15.8	0	0	0	119.9
46	D	32.7	Very low	29.4	Very low	128 Å²	128	137.5 Å²	137.5	68%	0.684	75%	0.749	S	S	*	*				83.8	124.1	106.7	-125.8	16.4	0	0	0	119.8
47	N	30.8	Very low	29.5	Very low	142 Å²	142	134.6 Å²	134.6	76%	0.759	75%	0.746	S	S	*	*			trans	70.6	135.2	147.4	-60	-33.7	0	0	0	122
48	G	30.2	Very low	29.6	Very low	69 Å²	69	130.7 Å²	130.7	71%	0.711	74%	0.739	S	S	*	*			trans	116.8	85.9	130.7	0	0	0	0	0	116.7
49	E	30.1	Very low	29.6	Very low	163 Å²	163	134.5 Å²	134.5	76%	0.762	75%	0.747	S	S	*	*				41.8	121	126.9	-64	-159.7	130.4	0	0	121.8
50	Q	27.1	Very low	29.7	Very low	138 Å²	138	137.3 Å²	137.3	65%	0.645	75%	0.749	S	S	*	*				76.9	132	123.2	-67.2	-175.3	21.7	0	0	122.3
51	F	28.1	Very low	29.7	Very low	151 Å²	151	140.3 Å²	140.3	66%	0.662	75%	0.75	S	S	*	*			trans	87.7	107	143.1	-77.9	-57.6	0	0	0	122.5
52	K	27.4	Very low	29.7	Very low	164 Å²	164	137.7 Å²	137.7	71%	0.713	75%	0.746	S	S	*	*				61.5	122.1	120.8	-88.7	177.6	-174.1	171.3	0	121.7
53	L	25.2	Very low	29.6	Very low	146 Å²	146	134.7 Å²	134.7	76%	0.764	74%	0.738	S	S	*	*				73.3	114.1	126.8	-76.4	159.4	0	0	0	120.7
54	S	28	Very low	29.7	Very low	102 Å²	102	136.4 Å²	136.4	71%	0.713	74%	0.739	S	S	*	*				120	117.5	114.8	74.2	0	0	0	0	118.7
55	K	28.9	Very low	29.4	Very low	180 Å²	180	135 Å²	135	78%	0.783	74%	0.74	S	S	*	*			trans	62	132.5	131.1	-78.2	-175.1	177.4	178.2	0	122.3
56	N	30.7	Very low	29.3	Very low	143 Å²	143	134.4 Å²	134.4	77%	0.765	74%	0.744	S	S	*	*			trans	75.9	143.8	144	-62.7	-4.2	0	0	0	115.8
57	S	28	Very low	28.9	Very low	90 Å²	90	133.5 Å²	133.5	63%	0.629	75%	0.748	S	S	*	*			cis	176.6	165.8	-12.9	43.2	0	0	0	0	104.8
58	T	31.1	Very low	28.9	Very low	122 Å²	122	135.2 Å²	135.2	75%	0.748	76%	0.756	S	S	*	*			trans	66.3	143.1	162.2	50.7	0	0	0	0	117
59	E	25.8	Very low	28.7	Very low	171 Å²	171	140 Å²	140	80%	0.799	76%	0.76	S	S	*	*			cis	-179.7	155.8	-10.7	-112.5	177.4	176.3	0	0	103.2
60	M	31	Very low	28.5	Very low	169 Å²	169	137.3 Å²	137.3	83%	0.833	76%	0.759	S	S	*	*			trans	141.9	98.9	148.8	-68.1	-105.1	-159.6	0	0	114.2
61	K	30.9	Very low	28.7	Very low	185 Å²	185	138.3 Å²	138.3	80%	0.804	77%	0.768	S	S	*	*				54.9	109.7	121.9	-68.3	-178.8	178.8	177.2	0	122.6
62	S	27.4	Very low	28.9	Very low	110 Å²	110	138 Å²	138	77%	0.769	77%	0.773	S	S	*	*				62.2	118.4	120.1	67.5	0	0	0	0	123.9
63	S	31.9	Very low	28.8	Very low	110 Å²	110	136.4 Å²	136.4	77%	0.769	78%	0.777	S	S	*	*			trans	178.7	102	135.7	54.8	0	0	0	0	110.3
64	S	32.1	Very low	29	Very low	103 Å²	103	138.9 Å²	138.9	72%	0.72	79%	0.787	S	S	*	*				65	99.1	103.7	65	0	0	0	0	118.4
65	S	25.9	Very low	28.9	Very low	115 Å²	115	143 Å²	143	80%	0.804	79%	0.793	S	S	*	*			trans	47.3	165.2	132.7	52.9	0	0	0	0	122.2
66	P	31.6	Very low	29	Very low	121 Å²	121	142 Å²	142	79%	0.786	79%	0.794	S	S	*	*			cis	-136.5	-176.3	2.2	32.3	-7.9	0	0	0	116
67	S	25.1	Very low	29	Very low	109 Å²	109	140.8 Å²	140.8	76%	0.762	79%	0.792	S	S	*	*			trans	-61.3	156	172.7	49	0	0	0	0	117
68	L	30.3	Very low	29.2	Very low	178 Å²	178	146.1 Å²	146.1	93%	0.932	80%	0.804	S	S	*	*			trans	-143.6	117.7	158.3	-110.4	155.2	0	0	0	111.1
69	E	26.3	Very low	29.1	Very low	171 Å²	171	146.2 Å²	146.2	80%	0.799	80%	0.804	S	S	*	*			trans	-83.6	161.8	168.2	-74.2	176.4	138.4	0	0	111.7
70	S	26.4	Very low	29.3	Very low	105 Å²	105	144.1 Å²	144.1	73%	0.734	81%	0.805	S	S	*	*			trans	84.2	125.3	147.8	78.8	0	0	0	0	119.6
71	L	31.3	Very low	29.2	Very low	160 Å²	160	145.9 Å²	145.9	84%	0.838	81%	0.808	S	S	*	*			trans	-178.2	92.5	143.1	-94.5	150.6	0	0	0	106.1
72	N	31.2	Very low	29	Very low	145 Å²	145	140.8 Å²	140.8	78%	0.775	81%	0.808	S	S	*	*				94.1	131.2	80.1	-90.8	-20.6	0	0	0	114.3
73	T	26.6	Very low	29.2	Very low	129 Å²	129	140 Å²	140	79%	0.791	81%	0.809	S	S	*	*			trans	-62.7	153.2	-178	46.9	0	0	0	0	116
74	M	27.7	Very low	29	Very low	198 Å²	198	140.2 Å²	140.2	98%	0.975	81%	0.81	S	S	*	*			trans	-136.3	122.4	153	-132.9	174.1	168.1	0	0	110.4
75	K	26.3	Very low	28.9	Very low	190 Å²	190	144 Å²	144	83%	0.826	81%	0.814	S	S	*	*			trans	-94.2	177.7	177.1	-84.5	179.4	173.7	174.2	0	110.7
76	I	31.7	Very low	29.1	Very low	157 Å²	157	144.5 Å²	144.5	81%	0.805	81%	0.806	S	S	*	*			trans	103.7	123.5	158.8	-55	168.5	0	0	0	110.9
77	T	31.3	Very low	28.9	Very low	119 Å²	119	148.4 Å²	148.4	73%	0.73	81%	0.811	S	S	*	*			cis	-168.9	146.2	28.1	10.1	0	0	0	0	114.1
78	K	31.6	Very low	29	Very low	202 Å²	202	148.8 Å²	148.8	88%	0.878	81%	0.808	S	S	*	*			trans	43.5	139.6	138.2	-71.8	-178.8	176.9	177.2	0	125.1
79	V	28.2	Very low	29	Very low	123 Å²	123	144 Å²	144	75%	0.745	80%	0.802	S	S	*	*			trans	-74.8	174.4	-176.9	-152.9	0	0	0	0	114.5
80	P	31.4	Very low	29	Very low	127 Å²	127	145.3 Å²	145.3	83%	0.825	80%	0.8	S	S	*	*				-145.8	160.6	89.7	35.5	-16.3	0	0	0	117.5
81	K	27.7	Very low	29.2	Very low	206 Å²	206	152 Å²	152	90%	0.896	81%	0.81	S	S	*	*			trans	-81.2	151.9	172.1	-67.9	174	172.6	177.6	0	111.8
82	G	27.5	Very low	29.1	Very low	79 Å²	79	152.1 Å²	152.1	81%	0.814	80%	0.804	S	S	*	*			trans	127.5	133.8	140.4	0	0	0	0	0	118.2
83	A	31.5	Very low	28.9	Very low	94 Å²	94	150.9 Å²	150.9	78%	0.777	80%	0.797	S	S	*	*			trans	120.6	89	162.1	0	0	0	0	0	112.7
84	S	27.4	Very low	29.1	Very low	113 Å²	113	152.6 Å²	152.6	79%	0.79	79%	0.794	S	S	*	*				67.6	104.8	71.1	-48.1	0	0	0	0	114.8
85	K	30.7	Very low	29.1	Very low	184 Å²	184	148 Å²	148	80%	0.8	78%	0.781	S	S	*	*				153.3	122.4	112.9	-87.1	-178.9	171.5	176.6	0	114.8
86	I	28.4	Very low	29.2	Very low	124 Å²	124	145 Å²	145	64%	0.636	78%	0.779	S	S	*	*				68.2	110.4	127.4	-52.2	166.1	0	0	0	118.4
87	F	28.7	Very low	28.8	Very low	204 Å²	204	144.9 Å²	144.9	90%	0.895	78%	0.779	S	S	*	*				-159.2	137.6	103.3	-120.3	-87.8	0	0	0	112.1
88	V	27.2	Very low	28.6	Very low	117 Å²	117	149.1 Å²	149.1	71%	0.709	78%	0.782	S	S	*	*			trans	-93.8	143.6	-170	169.3	0	0	0	0	110.1	R90	V88-R90 HydrophobicContact CG1-CG 4.48Å
89	G	30.2	Very low	28.3	Very low	78 Å²	78	147.8 Å²	147.8	80%	0.804	78%	0.779	S	S	*	*			trans	-160.7	89.4	166	0	0	0	0	0	111.6
90	R	26.9	Very low	28.3	Very low	198 Å²	198	150.7 Å²	150.7	75%	0.747	78%	0.782	S	S	*	*			trans	-64.6	143	179.5	-68.5	169.8	169.9	164.1	-3.1	112	V88	V88-R90 HydrophobicContact CG1-CG 4.48Å
91	Y	30.7	Very low	27.8	Very low	244 Å²	244	148.9 Å²	148.9	96%	0.957	77%	0.772	S	S	*	*				-141.3	126.4	125.4	-106.4	-85	0	0	0	109.7
92	K	27.4	Very low	27.7	Very low	164 Å²	164	146.3 Å²	146.3	71%	0.713	77%	0.767	S	S	*	*			trans	-94.1	168.3	-177.1	-88.7	-176.2	171.8	-175	0	110.4
93	D	28.7	Very low	27.5	Very low	118 Å²	118	146.9 Å²	146.9	63%	0.631	76%	0.758	S	S	*	*			trans	95.4	128.3	158.6	-74.3	0.9	0	0	0	115
94	K	30.1	Very low	27.2	Very low	166 Å²	166	150.2 Å²	150.2	72%	0.722	76%	0.763	S	S	*	*			cis	-164.4	130.8	12.1	-113.5	156.8	-176.8	140	0	109.3
95	S	26.7	Very low	27.1	Very low	100 Å²	100	148.7 Å²	148.7	70%	0.699	76%	0.757	S	S	*	*			trans	34.8	119.6	141.3	60.2	0	0	0	0	120.3
96	V	28.9	Very low	26.9	Very low	128 Å²	128	144.7 Å²	144.7	78%	0.776	75%	0.75	S	S	*	*				-156.3	106.7	106.1	177.1	0	0	0	0	108.8	R98	V96-R98 HydrophobicContact CG1-CG 4.09Å
97	N	23.6	Very low	26.7	Very low	154 Å²	154	146.1 Å²	146.1	82%	0.824	76%	0.757	S	S	*	*			trans	-71.1	126.4	155.6	-93	-23.1	0	0	0	108.2
98	R	27.8	Very low	26.6	Very low	208 Å²	208	140.4 Å²	140.4	79%	0.785	74%	0.741	S	S	*	*			trans	-140.1	104.3	147.8	-75.7	-166.4	-175.2	164.2	1.4	109.9	V96 F100	V96-R98 HydrophobicContact CG1-CG 4.09Å; R98-F100 HydrophobicContact CB-CD2 4.35Å; R98-F100 HydrophobicContact CB-CE2 4.46Å
99	H	24.8	Very low	26.6	Very low	174 Å²	174	138 Å²	138	81%	0.806	72%	0.724	S	S	*	*			trans	-51.6	130	149.7	-75.9	-75.6	0	0	0	109.4
100	F	27.9	Very low	26.4	Very low	184 Å²	184	141.3 Å²	141.3	81%	0.807	72%	0.716	S	S	*	*			trans	-133.6	93.9	152.2	-91.9	-77.8	0	0	0	108.6	R98	R98-F100 HydrophobicContact CB-CD2 4.35Å; R98-F100 HydrophobicContact CB-CE2 4.46Å
101	S	22	Very low	26.4	Very low	90 Å²	90	137 Å²	137	63%	0.629	70%	0.703	S	S	*	*			trans	-73.3	137.1	145.3	50.1	0	0	0	0	108.5
102	I	24.8	Very low	26.1	Very low	152 Å²	152	130.2 Å²	130.2	78%	0.779	69%	0.687	S	S	*	*			trans	147.3	127.6	137.9	-74	157.5	0	0	0	110.7
103	S	23.3	Very low	26.1	Very low	90 Å²	90	127 Å²	127	63%	0.629	68%	0.683	S	S	*	*			trans	6.5	127.4	164.6	69.6	0	0	0	0	119.3
104	D	25.4	Very low	26	Very low	164 Å²	164	126.9 Å²	126.9	88%	0.877	69%	0.686	S	S	*	*				-160.5	147.3	119.9	-90.4	-29.8	0	0	0	110.8
105	A	24.4	Very low	25.8	Very low	81 Å²	81	124.7 Å²	124.7	67%	0.669	68%	0.682	S	S	*	*			trans	-59.2	153.8	-162.1	0	0	0	0	0	116	I107	A105-I107 PolarHBondContact O-N 3.32Å; A105-I107 VanDerWaalsContact O-N 3.14Å
106	P	26.4	Very low	25.8	Very low	101 Å²	101	125.6 Å²	125.6	66%	0.656	68%	0.678	S	S	*	*			trans	-74.4	108.1	176.5	30.4	-31	0	0	0	110.3
107	I	25	Very low	25.8	Very low	153 Å²	153	124.7 Å²	124.7	79%	0.785	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-75.7	129.9	171.6	-58.1	171.5	0	0	0	108	A105 L109	A105-I107 PolarHBondContact O-N 3.32Å; A105-I107 VanDerWaalsContact O-N 3.14Å; I107-L109 PolarHBondContact O-N 3.34Å
108	P	26.8	Very low	26	Very low	85 Å²	85	124.3 Å²	124.3	55%	0.552	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-72.3	129.2	-172.8	27.6	-31.9	0	0	0	111.8	K110	P108-K110 PolarHBondContact O-N 2.85Å
109	L	27.4	Very low	25.9	Very low	67 Å²	67	120 Å²	120	35%	0.351	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-57.4	122.5	175	-71.9	161.7	0	0	0	111.3	I107 F111 N694	I107-L109 PolarHBondContact O-N 3.34Å; L109-F111 HydrophobicContact CB-CD2 4.03Å; L109-F111 HydrophobicContact CB-CE2 3.64Å; L109-F111 HydrophobicContact CB-CZ 4.24Å; L109-F111 HydrophobicContact CD1-CE2 4.05Å; L109-F111 HydrophobicContact CD1-CZ 4.03Å; L109-F111 HydrophobicContact CG-CE2 4.46Å; L109-F111 PolarHBondContact O-N 3.26Å; L109-N694 WeakPolarHBondContact CD2-OD1 3.44Å
110	K	25.4	Very low	26	Very low	147 Å²	147	115 Å²	115	64%	0.639	64%	0.637	S	S	*	*			trans	-81.8	93.6	165.5	-79.9	-176.3	176.8	-177.7	0	107.9	P108 T112	P108-K110 PolarHBondContact O-N 2.85Å; K110-T112 PolarHBondContact O-N 2.93Å
111	F	27.9	Very low	26	Very low	107 Å²	107	110.7 Å²	110.7	47%	0.469	63%	0.63	S	S	.	*			trans	-74.3	110.9	165.7	-72.1	-79.3	0	0	0	109.3	L109 I345	L109-F111 HydrophobicContact CB-CD2 4.03Å; L109-F111 HydrophobicContact CB-CE2 3.64Å; L109-F111 HydrophobicContact CB-CZ 4.24Å; L109-F111 HydrophobicContact CD1-CE2 4.05Å; L109-F111 HydrophobicContact CD1-CZ 4.03Å; L109-F111 HydrophobicContact CG-CE2 4.46Å; L109-F111 PolarHBondContact O-N 3.26Å; F111-I345 HydrophobicContact CD2-CG2 4.45Å
112	T	24.6	Very low	26.2	Very low	102 Å²	102	112.6 Å²	112.6	63%	0.626	63%	0.633	S	S	*	*			trans	-97	126.6	163.5	38	0	0	0	0	108.3	K110 V114	K110-T112 PolarHBondContact O-N 2.93Å; T112-V114 PolarHBondContact O-N 3.49Å
113	P	26.5	Very low	26.3	Very low	96 Å²	96	110.8 Å²	110.8	62%	0.623	62%	0.624	S	S	*	*			trans	-64.3	125.3	167.4	27.5	-29.6	0	0	0	107.8	N115	P113-N115 VanDerWaalsContact C-N 3.35Å; P113-N115 PolarHBondContact O-N 3.28Å
114	V	26.2	Very low	26.4	Very low	115 Å²	115	113.2 Å²	113.2	70%	0.697	63%	0.63	S	S	*	*			trans	-65.7	97.1	171.6	179.1	0	0	0	0	107.2	T112 I116	T112-V114 PolarHBondContact O-N 3.49Å; V114-I116 HydrophobicContact CG1-CD1 4.09Å; V114-I116 HydrophobicContact CG1-CG1 4.05Å
115	N	27	Very low	26.5	Very low	121 Å²	121	108.7 Å²	108.7	65%	0.647	61%	0.611	S	S	*	*			trans	-97.3	101.4	162	-87.9	-42.4	0	0	0	106.2	P113	P113-N115 VanDerWaalsContact C-N 3.35Å; P113-N115 PolarHBondContact O-N 3.28Å
116	I	25.8	Very low	26.6	Very low	118 Å²	118	111.7 Å²	111.7	61%	0.605	62%	0.616	S	S	*	*			trans	-130.8	98.7	164.3	-56.4	177.3	0	0	0	105.4	V114	V114-I116 HydrophobicContact CG1-CD1 4.09Å; V114-I116 HydrophobicContact CG1-CG1 4.05Å
117	E	29.9	Very low	26.6	Very low	109 Å²	109	112.5 Å²	112.5	51%	0.509	62%	0.624	S	S	.	*			trans	-106.3	117.3	169.5	-78.1	169.4	179.3	0	0	106.3
118	L	26.1	Very low	26.9	Very low	146 Å²	146	112.8 Å²	112.8	76%	0.764	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-80.7	136.3	165.2	-73.2	156.6	0	0	0	107.4
119	L	26.7	Very low	26.9	Very low	117 Å²	117	117 Å²	117	61%	0.613	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-95.7	137.4	178.1	-98.5	161.2	0	0	0	110.7	L303	L119-L303 HydrophobicContact CD1-CD1 4.3Å
120	P	27.4	Very low	27.1	Very low	70 Å²	70	123 Å²	123	46%	0.455	66%	0.663	S	S	.	*	P	Polyproline II helix	trans	-74.2	165	174.3	-13.9	29.2	0	0	0	114.8	E677	P120-E677 WeakPolarHBondContact CA-OE2 3.49Å; P120-E677 HydrophobicContact CB-CG 4.44Å; P120-E677 WeakPolarHBondContact CB-OE1 3.24Å; P120-E677 VanDerWaalsContact CB-OE2 3.25Å; P120-E677 WeakPolarHBondContact CB-OE2 3.4Å
121	S	27.3	Very low	27.5	Very low	93 Å²	93	119.2 Å²	119.2	65%	0.65	65%	0.652	S	S	*	*			trans	-105.7	68.6	-157	-35.6	0	0	0	0	111.7	E677	S121-E677 VanDerWaalsContact CB-OE2 3.24Å; S121-E677 WeakPolarHBondContact CB-OE2 3.42Å; S121-E677 PolarHBondContact N-OE1 3.16Å; S121-E677 PolarHBondContact N-OE2 3.31Å; S121-E677 PolarHBondContact OG-OE2 3.1Å
122	D	26.8	Very low	27.6	Very low	131 Å²	131	120.6 Å²	120.6	70%	0.701	66%	0.663	S	S	*	*			trans	-140.3	83	175.8	-90.9	-31.3	0	0	0	112.6
123	L	26.2	Very low	27.9	Very low	113 Å²	113	124.3 Å²	124.3	59%	0.592	67%	0.673	S	S	*	*			trans	-124.5	37.8	169.2	-96.4	166.2	0	0	0	112.8	K165	L123-K165 HydrophobicContact CD1-CD 4.36Å
124	L	25.9	Very low	28.3	Very low	142 Å²	142	126.9 Å²	126.9	74%	0.743	68%	0.676	S	S	*	*			trans	-133.3	85.9	169.9	-74.5	167.6	0	0	0	112
125	S	27.3	Very low	28.5	Very low	69 Å²	69	128.3 Å²	128.3	48%	0.483	68%	0.68	S	S	.	*			trans	-163.3	140.2	144.3	33.4	0	0	0	0	111.1	R398	S125-R398 PolarHBondContact OG-NH1 3.41Å; S125-R398 VanDerWaalsContact OG-NH1 3.08Å; S125-R398 PolarHBondContact OG-NH2 3.47Å; S125-R398 VanDerWaalsContact OG-NH2 3.16Å
126	D	25.7	Very low	28.7	Very low	144 Å²	144	129.6 Å²	129.6	77%	0.77	69%	0.686	S	S	*	*	S	Bend	trans	81.3	76.7	170.5	-55	-20.9	0	0	0	117.6
127	S	27.8	Very low	28.9	Very low	118 Å²	118	127.9 Å²	127.9	83%	0.825	68%	0.684	S	S	*	*				160.5	64.6	117.6	70.3	0	0	0	0	116.1
128	Q	29.6	Very low	28.9	Very low	159 Å²	159	130.9 Å²	130.9	74%	0.743	70%	0.698	S	S	*	*			trans	-145.3	64.2	165.5	-71.5	-162.3	-14.5	0	0	114
129	N	27.6	Very low	29.1	Very low	173 Å²	173	130.1 Å²	130.1	93%	0.925	70%	0.695	S	S	*	*	S	Bend	trans	-96.9	26.3	168.3	-99.3	-13.7	0	0	0	113.4
130	K	31.3	Very low	29.2	Very low	193 Å²	193	132.4 Å²	132.4	84%	0.839	70%	0.702	S	S	*	*	S	Bend	trans	-141.8	8.3	-174	-92	-170.3	177.1	-176.9	0	117.9
131	T	33.6	Very low	29.4	Very low	67 Å²	67	134.4 Å²	134.4	41%	0.411	72%	0.717	S	S	.	*	S	Bend	trans	-127.6	-3.1	-171.5	-36.9	0	0	0	0	114.6
132	I	30.4	Very low	29.6	Very low	137 Å²	137	136.5 Å²	136.5	70%	0.703	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-14.5	-179	-64.6	175.4	0	0	0	112.3
133	H	31.9	Very low	29.8	Very low	179 Å²	179	133 Å²	133	83%	0.829	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-2.6	178.6	-117.6	-71.1	0	0	0	115.1
134	E	33.8	Very low	30.2	Very low	150 Å²	150	135.2 Å²	135.2	70%	0.701	71%	0.708	S	S	*	*	S	Bend	trans	-113.4	-5.1	-178.9	-77.5	179.5	161.7	0	0	113.8
135	L	30.3	Very low	30.7	Very low	146 Å²	146	132.3 Å²	132.3	76%	0.764	70%	0.7	S	S	*	*	S	Bend	trans	-101.6	4.8	178.8	-69.9	170.5	0	0	0	113.6	S137	L135-S137 VanDerWaalsContact C-N 3.34Å
136	L	31.9	Very low	31.1	Very low	148 Å²	148	133.2 Å²	133.2	78%	0.775	70%	0.696	S	S	*	*	S	Bend	trans	-92	11.2	176.8	-72.5	168.9	0	0	0	113.6
137	S	28.9	Very low	31.6	Very low	82 Å²	82	131.1 Å²	131.1	57%	0.573	68%	0.682	S	S	*	*	S	Bend	trans	-129.5	78.9	176.6	61.7	0	0	0	0	110	L135	L135-S137 VanDerWaalsContact C-N 3.34Å
138	H	31.3	Very low	32.2	Very low	171 Å²	171	130.9 Å²	130.9	79%	0.792	67%	0.67	S	S	*	*	S	Bend	trans	172	114.4	136.5	-85.8	-37.7	0	0	0	111.2
139	N	28.6	Very low	32.6	Very low	131 Å²	131	131.2 Å²	131.2	70%	0.701	67%	0.669	S	S	*	*			trans	73.3	111.4	140.5	-63.9	2.5	0	0	0	120.7
140	E	30.7	Very low	33.1	Very low	165 Å²	165	127.5 Å²	127.5	77%	0.771	65%	0.649	S	S	*	*				96.2	106.2	129.1	-68.8	177.1	-173.9	0	0	120
141	S	30.2	Very low	33.3	Very low	111 Å²	111	125.1 Å²	125.1	78%	0.776	65%	0.645	S	S	*	*			trans	54.8	86.3	149	65	0	0	0	0	118.8
142	F	31.8	Very low	33.5	Very low	138 Å²	138	128.1 Å²	128.1	61%	0.605	66%	0.658	S	S	*	*			trans	-136.2	136.6	150.3	-87.5	-83.6	0	0	0	109.6	E146 Q147	F142-E146 HydrophobicContact CD1-CB 4.27Å; F142-E146 WeakPolarHBondContact CD1-OE2 3.47Å; F142-Q147 PolarHBondContact O-NE2 3.45Å
143	S	32.1	Very low	33.7	Very low	56 Å²	56	126.2 Å²	126.2	39%	0.392	65%	0.65	S	S	.	*			trans	-68.6	148.7	-176.7	66.8	0	0	0	0	111.5	S145 E146 Q147	S143-S145 PolarHBondContact O-N 3.05Å; S143-S145 PolarHBondContact OG-OG 3.43Å; S143-E146 PolarHBondContact N-OE2 2.88Å; S143-E146 PolarHBondContact O-N 3.01Å; S143-E146 PolarHBondContact OG-OE2 3.46Å; S143-Q147 PolarHBondContact O-N 3.21Å
144	E	33.8	Very low	33.7	Very low	160 Å²	160	126.1 Å²	126.1	75%	0.748	65%	0.649	S	S	*	*	H	α-helix	trans	-54.4	-26.7	-179.4	-112.6	171.9	163.6	0	0	113.2	I148	E144-I148 WeakPolarHBondContact O-CD1 3.39Å; E144-I148 VanDerWaalsContact O-CG1 3.25Å; E144-I148 WeakPolarHBondContact O-CG1 3.48Å; E144-I148 PolarHBondContact O-N 2.91Å
145	S	35.3	Very low	33.9	Very low	82 Å²	82	124.4 Å²	124.4	57%	0.573	65%	0.645	S	S	*	*	H	α-helix	trans	-77.6	-22.1	176.6	55.9	0	0	0	0	114.1	S143	S143-S145 PolarHBondContact O-N 3.05Å; S143-S145 PolarHBondContact OG-OG 3.43Å
146	E	36.6	Very low	34	Very low	87 Å²	87	124 Å²	124	41%	0.407	63%	0.634	S	S	.	*	H	α-helix	trans	-85.4	-33.7	173.3	-75.3	168.5	135.1	0	0	111.7	F142 S143 I148 K149 L150	F142-E146 HydrophobicContact CD1-CB 4.27Å; F142-E146 WeakPolarHBondContact CD1-OE2 3.47Å; S143-E146 PolarHBondContact N-OE2 2.88Å; S143-E146 PolarHBondContact O-N 3.01Å; S143-E146 PolarHBondContact OG-OE2 3.46Å; E146-I148 VanDerWaalsContact C-N 3.29Å; E146-I148 PolarHBondContact O-N 3.07Å; E146-K149 PolarHBondContact O-N 3.23Å; E146-L150 PolarHBondContact O-N 3.44Å; E146-L150 VanDerWaalsContact O-N 3.15Å
147	Q	35.7	Very low	34.1	Very low	101 Å²	101	123.5 Å²	123.5	47%	0.472	63%	0.63	S	S	.	*	H	α-helix	trans	-64.2	-35.2	173.8	-67.1	-179.3	5.2	0	0	111.8	F142 S143 L150 L151	F142-Q147 PolarHBondContact O-NE2 3.45Å; S143-Q147 PolarHBondContact O-N 3.21Å; Q147-L150 PolarHBondContact O-N 2.93Å; Q147-L151 WeakPolarHBondContact O-CD1 3.41Å
148	I	40.8	Very low	35.3	Very low	112 Å²	112	124.7 Å²	124.7	57%	0.574	63%	0.63	S	S	*	*	H	α-helix	trans	-76.9	-23.6	178.2	-65.1	167.7	0	0	0	112.4	E144 E146	E144-I148 WeakPolarHBondContact O-CD1 3.39Å; E144-I148 VanDerWaalsContact O-CG1 3.25Å; E144-I148 WeakPolarHBondContact O-CG1 3.48Å; E144-I148 PolarHBondContact O-N 2.91Å; E146-I148 VanDerWaalsContact C-N 3.29Å; E146-I148 PolarHBondContact O-N 3.07Å
149	K	38.7	Very low	36.6	Very low	166 Å²	166	121.5 Å²	121.5	72%	0.722	62%	0.617	S	S	*	*	H	α-helix	trans	-77.6	-30.2	171.4	-82.1	-177.9	176.7	179.5	0	113.1	E146 L151	E146-K149 PolarHBondContact O-N 3.23Å; K149-L151 VanDerWaalsContact C-N 3.3Å; K149-L151 PolarHBondContact O-N 3.21Å
150	L	38.2	Very low	38.3	Very low	96 Å²	96	121.5 Å²	121.5	50%	0.503	61%	0.611	S	S	.	*	H	α-helix	trans	-74.2	-18.3	178.5	-81.8	157	0	0	0	113.8	E146 Q147 Y156	E146-L150 PolarHBondContact O-N 3.44Å; E146-L150 VanDerWaalsContact O-N 3.15Å; Q147-L150 PolarHBondContact O-N 2.93Å; L150-Y156 HydrophobicContact CD2-CD1 4.3Å; L150-Y156 HydrophobicContact CD2-CE1 3.99Å
151	L	35.9	Very low	40.2	Very low	143 Å²	143	115.9 Å²	115.9	75%	0.749	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-8.1	-178.4	-86.6	153.6	0	0	0	114.6	Q147 K149	Q147-L151 WeakPolarHBondContact O-CD1 3.41Å; K149-L151 VanDerWaalsContact C-N 3.3Å; K149-L151 PolarHBondContact O-N 3.21Å
152	N	36.2	Very low	42.1	Very low	129 Å²	129	112.3 Å²	112.3	69%	0.69	56%	0.558	S	S	*	*	S	Bend	trans	-119.7	6.2	-169.5	-76.4	-26.1	0	0	0	115.8
153	N	34.3	Very low	44.2	Very low	98 Å²	98	107.2 Å²	107.2	52%	0.524	54%	0.538	S	S	.	.			trans	-109.3	105.3	178.7	-93.7	7	0	0	0	111.4	D155 Y156	N153-D155 PolarHBondContact O-N 2.99Å; N153-Y156 PolarHBondContact O-N 3.27Å
154	E	33.8	Very low	46.5	Very low	176 Å²	176	108.5 Å²	108.5	82%	0.822	54%	0.541	S	S	*	.	H	α-helix	trans	-53.6	-35.9	166.8	-71.4	-177.8	154	0	0	110.9	Y156 M157	E154-Y156 VanDerWaalsContact C-N 3.26Å; E154-Y156 PolarHBondContact O-N 3.01Å; E154-Y156 VanDerWaalsContact O-N 3.16Å; E154-M157 PolarHBondContact O-N 2.92Å
155	D	36.9	Very low	48.8	Very low	115 Å²	115	103.9 Å²	103.9	62%	0.615	52%	0.518	S	S	*	.	H	α-helix	trans	-58.7	-27.8	177.5	-63.1	-22.8	0	0	0	114.9	N153 I159	N153-D155 PolarHBondContact O-N 2.99Å; D155-I159 WeakPolarHBondContact O-CD1 3.3Å; D155-I159 WeakPolarHBondContact O-CG1 3.48Å
156	Y	32.3	Very low	51.1	Low	138 Å²	138	100.1 Å²	100.1	54%	0.541	49%	0.492	S	S	.	.	H	α-helix	trans	-80.6	-24.2	-176.7	-162.1	-98.2	0	0	0	112.5	L150 N153 E154	L150-Y156 HydrophobicContact CD2-CD1 4.3Å; L150-Y156 HydrophobicContact CD2-CE1 3.99Å; N153-Y156 PolarHBondContact O-N 3.27Å; E154-Y156 VanDerWaalsContact C-N 3.26Å; E154-Y156 PolarHBondContact O-N 3.01Å; E154-Y156 VanDerWaalsContact O-N 3.16Å
157	M	35.2	Very low	53.5	Low	137 Å²	137	98.8 Å²	98.8	68%	0.675	48%	0.483	S	S	*	.	H	α-helix	trans	-77.4	-40	178.8	-75.2	-67.9	-70.4	0	0	111.7	E154 K160 E161	E154-M157 PolarHBondContact O-N 2.92Å; M157-K160 PolarHBondContact O-N 3.5Å; M157-E161 PolarHBondContact O-N 2.91Å; M157-E161 VanDerWaalsContact O-N 3.15Å
158	D	52.8	Low	55.8	Low	107 Å²	107	97.8 Å²	97.8	57%	0.572	49%	0.487	S	S	*	.	H	α-helix	trans	-64.8	-43.3	179	-86.8	-18.5	0	0	0	112.7	K160 E161 T162	D158-K160 VanDerWaalsContact C-N 3.31Å; D158-K160 PolarHBondContact O-N 3.47Å; D158-E161 PolarHBondContact O-N 3.22Å; D158-T162 PolarHBondContact O-N 3.36Å; D158-T162 PolarHBondContact O-OG1 3.05Å
159	I	58.8	Low	58	Low	104 Å²	104	93.6 Å²	93.6	53%	0.533	47%	0.465	S	S	.	.	H	α-helix	trans	-62.5	-39	179.8	-64.1	168.5	0	0	0	111.4	D155 T163	D155-I159 WeakPolarHBondContact O-CD1 3.3Å; D155-I159 WeakPolarHBondContact O-CG1 3.48Å; I159-T163 WeakPolarHBondContact O-CB 3.48Å; I159-T163 PolarHBondContact O-N 2.54Å; I159-T163 PolarHBondContact O-OG1 2.67Å
160	K	64.5	Low	60.4	Low	130 Å²	130	85.7 Å²	85.7	57%	0.565	43%	0.431	S	S	*	.	H	α-helix	trans	-70.8	-36.6	179.5	-167.3	173.9	-176.6	175.5	0	111.5	M157 D158 N164	M157-K160 PolarHBondContact O-N 3.5Å; D158-K160 VanDerWaalsContact C-N 3.31Å; D158-K160 PolarHBondContact O-N 3.47Å; K160-N164 WeakPolarHBondContact O-CB 3.3Å; K160-N164 VanDerWaalsContact O-CG 3.23Å; K160-N164 PolarHBondContact O-N 3Å; K160-N164 VanDerWaalsContact O-N 3.07Å; K160-N164 PolarHBondContact O-ND2 2.83Å; K160-N164 VanDerWaalsContact O-ND2 3.1Å
161	E	70.5	Confident	62.7	Low	47 Å²	47	84.4 Å²	84.4	22%	0.22	43%	0.425	C	S	.	.	H	α-helix	trans	-66.3	-47	176.5	-165.4	-178.6	140.7	0	0	111.7	M157 D158 T163 N164 K165	M157-E161 PolarHBondContact O-N 2.91Å; M157-E161 VanDerWaalsContact O-N 3.15Å; D158-E161 PolarHBondContact O-N 3.22Å; E161-T163 PolarHBondContact O-N 3.35Å; E161-N164 WeakPolarHBondContact O-CB 3.35Å; E161-N164 PolarHBondContact O-N 2.99Å; E161-K165 WeakPolarHBondContact O-CG 3.11Å; E161-K165 PolarHBondContact O-N 3.39Å; E161-K165 WeakPolarHBondContact OE1-CE 3.06Å; E161-K165 IonicContact OE1-NZ 3.76Å; E161-K165 PolarHBondContact OE1-NZ 2.96Å
162	T	69.4	Low	65.2	Low	36 Å²	36	83.3 Å²	83.3	22%	0.221	41%	0.411	C	S	.	.	H	α-helix	trans	-60.2	-44.9	176.6	-60.2	0	0	0	0	111.5	D158 N164 K165 I166 L304	D158-T162 PolarHBondContact O-N 3.36Å; D158-T162 PolarHBondContact O-OG1 3.05Å; T162-N164 VanDerWaalsContact C-N 3.31Å; T162-N164 PolarHBondContact O-N 3.28Å; T162-K165 WeakPolarHBondContact O-CB 3.34Å; T162-K165 PolarHBondContact O-N 3.35Å; T162-K165 VanDerWaalsContact O-N 3.14Å; T162-I166 HydrophobicContact CG2-CD1 4.17Å; T162-I166 WeakPolarHBondContact O-CG1 3.29Å; T162-I166 PolarHBondContact O-N 2.94Å; T162-L304 VanDerWaalsContact CG2-O 3.25Å; T162-L304 WeakPolarHBondContact CG2-O 3.27Å
163	T	77	Confident	67.7	Low	31 Å²	31	77.3 Å²	77.3	19%	0.19	38%	0.379	C	S	.	.	H	α-helix	trans	-59.3	-40.9	175.9	-58	0	0	0	0	111.9	I159 E161 I166 R167 I233	I159-T163 WeakPolarHBondContact O-CB 3.48Å; I159-T163 PolarHBondContact O-N 2.54Å; I159-T163 PolarHBondContact O-OG1 2.67Å; E161-T163 PolarHBondContact O-N 3.35Å; T163-I166 PolarHBondContact O-N 2.9Å; T163-R167 WeakPolarHBondContact O-CB 3.33Å; T163-R167 PolarHBondContact O-N 3.3Å; T163-I233 HydrophobicContact CG2-CD1 4.14Å
164	N	79.8	Confident	70.4	Confident	83 Å²	83	74.1 Å²	74.1	44%	0.444	36%	0.362	S	S	.	.	H	α-helix	trans	-67	-36.7	176.4	-75.4	-31.7	0	0	0	113	K160 E161 T162 S168	K160-N164 WeakPolarHBondContact O-CB 3.3Å; K160-N164 VanDerWaalsContact O-CG 3.23Å; K160-N164 PolarHBondContact O-N 3Å; K160-N164 VanDerWaalsContact O-N 3.07Å; K160-N164 PolarHBondContact O-ND2 2.83Å; K160-N164 VanDerWaalsContact O-ND2 3.1Å; E161-N164 WeakPolarHBondContact O-CB 3.35Å; E161-N164 PolarHBondContact O-N 2.99Å; T162-N164 VanDerWaalsContact C-N 3.31Å; T162-N164 PolarHBondContact O-N 3.28Å; N164-S168 WeakPolarHBondContact O-CB 3.44Å; N164-S168 PolarHBondContact O-N 2.94Å; N164-S168 PolarHBondContact O-OG 2.73Å
165	K	81.7	Confident	73	Confident	63 Å²	63	73 Å²	73	27%	0.274	35%	0.354	S	S	.	.	H	α-helix	trans	-64.8	-47.5	174.7	-70.4	170.8	-175.4	164.3	0	111	L123 E161 T162 R167 S168 H169 L304	L123-K165 HydrophobicContact CD1-CD 4.36Å; E161-K165 WeakPolarHBondContact O-CG 3.11Å; E161-K165 PolarHBondContact O-N 3.39Å; E161-K165 WeakPolarHBondContact OE1-CE 3.06Å; E161-K165 IonicContact OE1-NZ 3.76Å; E161-K165 PolarHBondContact OE1-NZ 2.96Å; T162-K165 WeakPolarHBondContact O-CB 3.34Å; T162-K165 PolarHBondContact O-N 3.35Å; T162-K165 VanDerWaalsContact O-N 3.14Å; K165-R167 VanDerWaalsContact C-N 3.35Å; K165-R167 PolarHBondContact O-N 3.13Å; K165-S168 PolarHBondContact O-N 3.24Å; K165-H169 PolarHBondContact O-N 3.42Å; K165-L304 HydrophobicContact CB-CD1 4.45Å; K165-L304 HydrophobicContact CB-CD2 3.8Å; K165-L304 HydrophobicContact CD-CD2 4.19Å
166	I	84.8	Confident	75.4	Confident	4 Å²	4	69.2 Å²	69.2	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-58.2	-49.2	175.8	-63.1	167.9	0	0	0	109.7	T162 T163 S168 H169 L170 I233 F238 L301 L304 L305	T162-I166 HydrophobicContact CG2-CD1 4.17Å; T162-I166 WeakPolarHBondContact O-CG1 3.29Å; T162-I166 PolarHBondContact O-N 2.94Å; T163-I166 PolarHBondContact O-N 2.9Å; I166-S168 PolarHBondContact O-N 2.73Å; I166-H169 PolarHBondContact O-N 3.45Å; I166-L170 HydrophobicContact CG2-CD1 4.05Å; I166-L170 HydrophobicContact CG2-CG 4.28Å; I166-L170 WeakPolarHBondContact O-CG 3.45Å; I166-L170 PolarHBondContact O-N 2.95Å; I166-I233 HydrophobicContact CB-CD1 3.96Å; I166-I233 HydrophobicContact CG2-CD1 3.65Å; I166-F238 HydrophobicContact CG2-CE2 4.09Å; I166-L301 HydrophobicContact CG2-CD2 4.34Å; I166-L304 HydrophobicContact CG1-CB 3.84Å; I166-L305 HydrophobicContact CD1-CD2 3.96Å
167	R	85.7	Confident	78.1	Confident	58 Å²	58	62.8 Å²	62.8	22%	0.219	31%	0.308	C	S	.	.	H	α-helix	trans	-56.9	-48.5	178.5	-174	-179.7	-178	82.5	7.7	112	T163 K165 H169 L170 D171 L228 G231 D232 I233	T163-R167 WeakPolarHBondContact O-CB 3.33Å; T163-R167 PolarHBondContact O-N 3.3Å; K165-R167 VanDerWaalsContact C-N 3.35Å; K165-R167 PolarHBondContact O-N 3.13Å; R167-H169 VanDerWaalsContact C-N 3.27Å; R167-H169 PolarHBondContact O-N 3.42Å; R167-L170 PolarHBondContact O-N 2.93Å; R167-D171 PolarHBondContact O-N 3.32Å; R167-L228 HydrophobicContact CG-CD2 4.31Å; R167-G231 VanDerWaalsContact CZ-O 3.31Å; R167-G231 PolarHBondContact NH1-O 3.12Å; R167-D232 PolarHBondContact NH1-O 2.87Å; R167-I233 HydrophobicContact CB-CD1 4.09Å; R167-I233 HydrophobicContact CB-CG1 4.33Å
168	S	84.2	Confident	80.8	Confident	80 Å²	80	58.3 Å²	58.3	56%	0.559	29%	0.29	S	S	*	.	H	α-helix	trans	-59.8	-39.2	179.9	-62.6	0	0	0	0	112.1	N164 K165 I166 Y172	N164-S168 WeakPolarHBondContact O-CB 3.44Å; N164-S168 PolarHBondContact O-N 2.94Å; N164-S168 PolarHBondContact O-OG 2.73Å; K165-S168 PolarHBondContact O-N 3.24Å; I166-S168 PolarHBondContact O-N 2.73Å; S168-Y172 PolarHBondContact O-N 3.37Å
169	H	87.4	Confident	82.5	Confident	24 Å²	24	58.1 Å²	58.1	11%	0.111	29%	0.286	C	S	.	.	H	α-helix	trans	-71.9	-38.6	176.5	-169.1	76.8	0	0	0	112.5	K165 I166 R167 Y172 L173 N297 T300 L301 L304	K165-H169 PolarHBondContact O-N 3.42Å; I166-H169 PolarHBondContact O-N 3.45Å; R167-H169 VanDerWaalsContact C-N 3.27Å; R167-H169 PolarHBondContact O-N 3.42Å; H169-Y172 WeakPolarHBondContact O-CB 3.49Å; H169-Y172 PolarHBondContact O-N 2.97Å; H169-L173 WeakPolarHBondContact O-CB 3.27Å; H169-L173 WeakPolarHBondContact O-CG 3.49Å; H169-L173 PolarHBondContact O-N 3.38Å; H169-N297 PolarHBondContact NE2-O 3.13Å; H169-T300 VanDerWaalsContact CE1-CB 3.48Å; H169-T300 WeakPolarHBondContact CE1-CB 3.37Å; H169-T300 VanDerWaalsContact CE1-CG2 3.48Å; H169-T300 WeakPolarHBondContact CE1-CG2 3.47Å; H169-L301 VanDerWaalsContact CD2-CG 3.47Å; H169-L301 WeakPolarHBondContact CD2-CG 3.48Å; H169-L304 HydrophobicContact CB-CD1 4.09Å
170	L	88.8	Confident	84	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-40.3	173.1	-69.8	177.8	0	0	0	112.3	I166 R167 L173 L174 L224 L228 I233 F238 F242 L301	I166-L170 HydrophobicContact CG2-CD1 4.05Å; I166-L170 HydrophobicContact CG2-CG 4.28Å; I166-L170 WeakPolarHBondContact O-CG 3.45Å; I166-L170 PolarHBondContact O-N 2.95Å; R167-L170 PolarHBondContact O-N 2.93Å; L170-L173 HydrophobicContact CD2-CD1 4.41Å; L170-L173 WeakPolarHBondContact O-CB 3.43Å; L170-L173 PolarHBondContact O-N 3.49Å; L170-L174 WeakPolarHBondContact O-CB 3.17Å; L170-L174 PolarHBondContact O-N 2.98Å; L170-L224 HydrophobicContact CD2-CD2 4.18Å; L170-L228 HydrophobicContact CB-CD1 4.28Å; L170-L228 HydrophobicContact CB-CD2 4.02Å; L170-L228 HydrophobicContact CB-CG 4.44Å; L170-L228 HydrophobicContact CD1-CD2 4.28Å; L170-I233 HydrophobicContact CD1-CD1 4.28Å; L170-I233 HydrophobicContact CD1-CG1 4.41Å; L170-I233 HydrophobicContact CD1-CG2 4.28Å; L170-F238 HydrophobicContact CD1-CD2 4.46Å; L170-F238 HydrophobicContact CD1-CE2 4.09Å; L170-F238 HydrophobicContact CD2-CE2 4.4Å; L170-F242 HydrophobicContact CD2-CE2 4.43Å; L170-F242 HydrophobicContact CD2-CZ 3.75Å; L170-L301 HydrophobicContact CD2-CD1 4.36Å; L170-L301 HydrophobicContact CD2-CD2 4.11Å; L170-L301 HydrophobicContact CG-CD2 4.46Å
171	D	87	Confident	85.2	Confident	70 Å²	70	48.9 Å²	48.9	37%	0.374	24%	0.243	S	C	.	.	H	α-helix	trans	-64.6	-41.8	174.3	-83.7	-33.5	0	0	0	111.7	R167 L173 L174 K175	R167-D171 PolarHBondContact O-N 3.32Å; D171-L173 VanDerWaalsContact C-N 3.35Å; D171-L174 PolarHBondContact O-N 3.22Å; D171-K175 WeakPolarHBondContact O-CB 3.3Å; D171-K175 PolarHBondContact O-N 2.95Å
172	Y	88.5	Confident	86.1	Confident	119 Å²	119	53.4 Å²	53.4	47%	0.467	26%	0.262	S	S	.	.	H	α-helix	trans	-58.1	-47.7	171.7	166.1	-99.5	0	0	0	111.2	S168 H169 K175 H176	S168-Y172 PolarHBondContact O-N 3.37Å; H169-Y172 WeakPolarHBondContact O-CB 3.49Å; H169-Y172 PolarHBondContact O-N 2.97Å; Y172-K175 PolarHBondContact O-N 3.45Å; Y172-H176 WeakPolarHBondContact O-CB 3.2Å; Y172-H176 PolarHBondContact O-N 2.93Å
173	L	89.1	Confident	87	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-59.6	-48.7	177.6	-77.6	170.5	0	0	0	111.4	H169 L170 D171 K175 H176 E177 L224 F242 N297 L301	H169-L173 WeakPolarHBondContact O-CB 3.27Å; H169-L173 WeakPolarHBondContact O-CG 3.49Å; H169-L173 PolarHBondContact O-N 3.38Å; L170-L173 HydrophobicContact CD2-CD1 4.41Å; L170-L173 WeakPolarHBondContact O-CB 3.43Å; L170-L173 PolarHBondContact O-N 3.49Å; D171-L173 VanDerWaalsContact C-N 3.35Å; L173-K175 VanDerWaalsContact C-N 3.28Å; L173-K175 PolarHBondContact O-N 2.9Å; L173-H176 PolarHBondContact O-N 3.28Å; L173-E177 WeakPolarHBondContact O-CB 3.29Å; L173-E177 WeakPolarHBondContact O-CG 3.37Å; L173-E177 PolarHBondContact O-N 2.79Å; L173-L224 HydrophobicContact CB-CD1 4.31Å; L173-F242 HydrophobicContact CD1-CE1 4.46Å; L173-N297 HydrophobicContact CD2-CB 3.48Å; L173-N297 VanDerWaalsContact CD2-CB 3.48Å; L173-N297 VanDerWaalsContact CD2-ND2 3.3Å; L173-N297 WeakPolarHBondContact CD2-ND2 3.25Å; L173-L301 HydrophobicContact CD1-CD1 3.72Å; L173-L301 HydrophobicContact CD1-CG 4.38Å
174	L	90	Very high	87.6	Confident	31 Å²	31	51 Å²	51	16%	0.162	25%	0.247	C	C	.	.	H	α-helix	trans	-57	-44.2	178.7	177.9	61.6	0	0	0	111.3	L170 D171 S178 I221 L224 K225 L228	L170-L174 WeakPolarHBondContact O-CB 3.17Å; L170-L174 PolarHBondContact O-N 2.98Å; D171-L174 PolarHBondContact O-N 3.22Å; L174-S178 VanDerWaalsContact O-CB 3.25Å; L174-S178 WeakPolarHBondContact O-CB 3.5Å; L174-S178 PolarHBondContact O-N 2.83Å; L174-S178 VanDerWaalsContact O-N 3.1Å; L174-S178 PolarHBondContact O-OG 2.91Å; L174-I221 HydrophobicContact CD1-CG2 3.94Å; L174-L224 HydrophobicContact CD1-CB 4.14Å; L174-K225 HydrophobicContact CD1-CG 3.76Å; L174-K225 HydrophobicContact CD2-CG 4.12Å; L174-L228 HydrophobicContact CB-CD1 4.37Å; L174-L228 HydrophobicContact CD2-CD1 3.92Å
175	K	87.9	Confident	88	Confident	153 Å²	153	52.4 Å²	52.4	67%	0.665	25%	0.251	S	S	*	.	H	α-helix	trans	-66.9	-46.7	178.4	-174.3	177.8	-179	177.5	0	112.1	D171 Y172 L173	D171-K175 WeakPolarHBondContact O-CB 3.3Å; D171-K175 PolarHBondContact O-N 2.95Å; Y172-K175 PolarHBondContact O-N 3.45Å; L173-K175 VanDerWaalsContact C-N 3.28Å; L173-K175 PolarHBondContact O-N 2.9Å
176	H	87.8	Confident	88.2	Confident	36 Å²	36	54 Å²	54	17%	0.167	26%	0.259	C	S	.	.	H	α-helix	trans	-66.6	-48.2	-178.4	-173.6	-88.9	0	0	0	111.2	Y172 L173 S178 Q179 H180 Q293	Y172-H176 WeakPolarHBondContact O-CB 3.2Å; Y172-H176 PolarHBondContact O-N 2.93Å; L173-H176 PolarHBondContact O-N 3.28Å; H176-S178 VanDerWaalsContact C-N 3.3Å; H176-S178 PolarHBondContact O-N 2.93Å; H176-Q179 VanDerWaalsContact O-CB 3.31Å; H176-Q179 WeakPolarHBondContact O-CB 3.32Å; H176-Q179 PolarHBondContact O-N 3.4Å; H176-H180 AromaticContact CE1-CE1 3.76Å; H176-H180 AromaticContact CE1-NE2 3.29Å; H176-H180 PolarHBondContact CE1-NE2 3.38Å; H176-H180 VanDerWaalsContact CE1-NE2 3.29Å; H176-H180 AromaticContact ND1-CE1 3.76Å; H176-H180 AromaticContact ND1-NE2 3.57Å; H176-Q293 PolarHBondContact CE1-OE1 3.44Å
177	E	90.3	Very high	88.3	Confident	3 Å²	3	53.9 Å²	53.9	1%	0.014	26%	0.258	C	S	.	.	H	α-helix	trans	-69.1	-27.9	-177.7	-68.5	-82.2	-163.8	0	0	112.3	L173 Q179 H180 Q217 F220 I221 R248	L173-E177 WeakPolarHBondContact O-CB 3.29Å; L173-E177 WeakPolarHBondContact O-CG 3.37Å; L173-E177 PolarHBondContact O-N 2.79Å; E177-Q179 PolarHBondContact O-N 2.88Å; E177-H180 WeakPolarHBondContact O-CB 3.27Å; E177-H180 PolarHBondContact O-N 2.98Å; E177-H180 IonicContact OE2-CE1 3.28Å; E177-H180 PolarHBondContact OE2-CE1 3.41Å; E177-H180 IonicContact OE2-CG 3Å; E177-H180 IonicContact OE2-ND1 2.78Å; E177-H180 PolarHBondContact OE2-ND1 3.15Å; E177-Q217 PolarHBondContact O-NE2 3.16Å; E177-Q217 PolarHBondContact OE2-NE2 3.33Å; E177-F220 HydrophobicContact CB-CD1 4.44Å; E177-F220 HydrophobicContact CB-CE1 4.25Å; E177-F220 HydrophobicContact CG-CD1 4.39Å; E177-F220 HydrophobicContact CG-CE1 3.78Å; E177-I221 HydrophobicContact CB-CG1 4.41Å; E177-R248 IonicContact OE1-CZ 2.69Å; E177-R248 IonicContact OE1-NH1 2.81Å; E177-R248 PolarHBondContact OE1-NH1 2.71Å; E177-R248 IonicContact OE1-NH2 2.66Å; E177-R248 PolarHBondContact OE1-NH2 2.81Å; E177-R248 IonicContact OE2-CZ 2.85Å; E177-R248 IonicContact OE2-NH1 2.75Å; E177-R248 PolarHBondContact OE2-NH1 3.3Å; E177-R248 IonicContact OE2-NH2 3.69Å
178	S	90.2	Very high	88.4	Confident	43 Å²	43	53 Å²	53	30%	0.301	26%	0.256	S	S	.	.	H	α-helix	trans	-64.9	-26.4	170.2	-65.5	0	0	0	0	113.2	L174 H176 H180	L174-S178 VanDerWaalsContact O-CB 3.25Å; L174-S178 WeakPolarHBondContact O-CB 3.5Å; L174-S178 PolarHBondContact O-N 2.83Å; L174-S178 VanDerWaalsContact O-N 3.1Å; L174-S178 PolarHBondContact O-OG 2.91Å; H176-S178 VanDerWaalsContact C-N 3.3Å; H176-S178 PolarHBondContact O-N 2.93Å; S178-H180 VanDerWaalsContact C-N 3.33Å
179	Q	88.5	Confident	88.4	Confident	102 Å²	102	53.3 Å²	53.3	48%	0.477	26%	0.255	S	S	.	.	H	α-helix	trans	-72	-29.1	175.8	-62.5	-178.8	-4.1	0	0	112	H176 E177 L181 K182 I183	H176-Q179 VanDerWaalsContact O-CB 3.31Å; H176-Q179 WeakPolarHBondContact O-CB 3.32Å; H176-Q179 PolarHBondContact O-N 3.4Å; E177-Q179 PolarHBondContact O-N 2.88Å; Q179-L181 VanDerWaalsContact C-N 3.26Å; Q179-L181 PolarHBondContact O-N 2.89Å; Q179-K182 WeakPolarHBondContact O-CB 3.47Å; Q179-K182 PolarHBondContact O-N 3.35Å; Q179-K182 VanDerWaalsContact O-N 3.14Å; Q179-I183 PolarHBondContact O-N 2.88Å
180	H	90.7	Very high	88.2	Confident	5 Å²	5	52.6 Å²	52.6	2%	0.023	25%	0.253	C	S	.	.	H	α-helix	trans	-61.6	-33.1	177.7	-62.8	171.2	0	0	0	112.4	H176 E177 S178 K182 I183 L184 W290	H176-H180 AromaticContact CE1-CE1 3.76Å; H176-H180 AromaticContact CE1-NE2 3.29Å; H176-H180 PolarHBondContact CE1-NE2 3.38Å; H176-H180 VanDerWaalsContact CE1-NE2 3.29Å; H176-H180 AromaticContact ND1-CE1 3.76Å; H176-H180 AromaticContact ND1-NE2 3.57Å; E177-H180 WeakPolarHBondContact O-CB 3.27Å; E177-H180 PolarHBondContact O-N 2.98Å; E177-H180 IonicContact OE2-CE1 3.28Å; E177-H180 PolarHBondContact OE2-CE1 3.41Å; E177-H180 IonicContact OE2-CG 3Å; E177-H180 IonicContact OE2-ND1 2.78Å; E177-H180 PolarHBondContact OE2-ND1 3.15Å; S178-H180 VanDerWaalsContact C-N 3.33Å; H180-K182 PolarHBondContact O-N 2.78Å; H180-I183 WeakPolarHBondContact O-CB 3.08Å; H180-I183 PolarHBondContact O-N 3.33Å; H180-L184 WeakPolarHBondContact O-CG 3.41Å; H180-L184 PolarHBondContact O-N 3.39Å; H180-W290 HydrophobicContact CB-CD2 4.47Å; H180-W290 HydrophobicContact CB-CE3 4.5Å; H180-W290 HydrophobicContact CB-CH2 3.81Å; H180-W290 HydrophobicContact CB-CZ2 3.74Å; H180-W290 HydrophobicContact CB-CZ3 4.18Å; H180-W290 AromaticContact CD2-CD1 3.91Å; H180-W290 AromaticContact CD2-CE2 3.51Å; H180-W290 AromaticContact CD2-CZ2 3.83Å; H180-W290 AromaticContact CD2-NE1 3.35Å; H180-W290 PolarHBondContact CD2-NE1 3.07Å; H180-W290 AromaticContact CE1-CD1 3.53Å; H180-W290 AromaticContact CE1-CD2 3.96Å; H180-W290 AromaticContact CE1-CG 3.69Å; H180-W290 AromaticContact CE1-NE1 3.78Å; H180-W290 AromaticContact CG-CD2 3.94Å; H180-W290 AromaticContact CG-CE2 3.61Å; H180-W290 AromaticContact CG-CZ2 3.79Å; H180-W290 AromaticContact CG-NE1 3.91Å; H180-W290 AromaticContact ND1-CD2 3.83Å; H180-W290 AromaticContact ND1-CE2 3.96Å; H180-W290 AromaticContact NE2-CD1 3.36Å; H180-W290 AromaticContact NE2-CE2 3.82Å; H180-W290 AromaticContact NE2-CG 3.96Å; H180-W290 AromaticContact NE2-NE1 3.29Å; H180-W290 PolarHBondContact NE2-NE1 3.44Å
181	L	90.8	Very high	87.9	Confident	35 Å²	35	52.7 Å²	52.7	18%	0.183	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-43	174.2	-71.6	179.4	0	0	0	112.3	Q179 I183 L184 E185 E214 Q217 K218 I221	Q179-L181 VanDerWaalsContact C-N 3.26Å; Q179-L181 PolarHBondContact O-N 2.89Å; L181-I183 VanDerWaalsContact C-N 3.28Å; L181-I183 PolarHBondContact O-N 3.49Å; L181-L184 PolarHBondContact O-N 3.39Å; L181-E185 PolarHBondContact O-N 2.96Å; L181-E185 VanDerWaalsContact O-N 3.08Å; L181-E214 HydrophobicContact CD2-CG 4Å; L181-Q217 HydrophobicContact CD2-CB 3.95Å; L181-Q217 HydrophobicContact CD2-CG 3.64Å; L181-Q217 HydrophobicContact CG-CG 4.02Å; L181-K218 HydrophobicContact CD1-CG 4.3Å; L181-K218 HydrophobicContact CD2-CG 3.85Å; L181-I221 HydrophobicContact CD1-CD1 3.39Å; L181-I221 HydrophobicContact CD2-CD1 4.41Å; L181-I221 HydrophobicContact CG-CD1 3.63Å
182	K	88	Confident	87.5	Confident	142 Å²	142	52 Å²	52	62%	0.617	25%	0.25	S	C	*	.	H	α-helix	trans	-63.9	-36.2	176.9	-62.4	-176	179	-176.6	0	111.7	Q179 H180 E185 Q186	Q179-K182 WeakPolarHBondContact O-CB 3.47Å; Q179-K182 PolarHBondContact O-N 3.35Å; Q179-K182 VanDerWaalsContact O-N 3.14Å; H180-K182 PolarHBondContact O-N 2.78Å; K182-E185 PolarHBondContact O-N 2.95Å; K182-Q186 WeakPolarHBondContact O-CG 3.21Å; K182-Q186 PolarHBondContact O-N 3.34Å; K182-Q186 VanDerWaalsContact O-N 3.08Å
183	I	88.3	Confident	86.9	Confident	16 Å²	16	50.4 Å²	50.4	8%	0.082	25%	0.249	C	C	.	.	H	α-helix	trans	-67.6	-42.8	176.2	-67.2	160.6	0	0	0	110.7	Q179 H180 L181 E185 Q186 I187 E286 W290	Q179-I183 PolarHBondContact O-N 2.88Å; H180-I183 WeakPolarHBondContact O-CB 3.08Å; H180-I183 PolarHBondContact O-N 3.33Å; L181-I183 VanDerWaalsContact C-N 3.28Å; L181-I183 PolarHBondContact O-N 3.49Å; I183-E185 VanDerWaalsContact C-N 3.3Å; I183-E185 PolarHBondContact O-N 2.69Å; I183-Q186 WeakPolarHBondContact O-CB 3.44Å; I183-Q186 PolarHBondContact O-N 3.19Å; I183-Q186 VanDerWaalsContact O-N 3.17Å; I183-I187 HydrophobicContact CG2-CD1 3.89Å; I183-I187 HydrophobicContact CG2-CG1 4.39Å; I183-I187 WeakPolarHBondContact O-CG1 3.45Å; I183-I187 PolarHBondContact O-N 3.16Å; I183-E286 HydrophobicContact CD1-CG 4.15Å; I183-E286 WeakPolarHBondContact CD1-OE1 3.44Å; I183-E286 WeakPolarHBondContact CD1-OE2 3.06Å; I183-E286 VanDerWaalsContact CG1-OE2 3.27Å; I183-E286 WeakPolarHBondContact CG1-OE2 3.41Å; I183-E286 HydrophobicContact CG2-CB 4.21Å; I183-E286 HydrophobicContact CG2-CG 4.24Å; I183-E286 WeakPolarHBondContact CG2-OE2 3.4Å; I183-W290 HydrophobicContact CB-CH2 4.36Å; I183-W290 HydrophobicContact CB-CZ2 3.93Å; I183-W290 HydrophobicContact CD1-CZ2 4.05Å; I183-W290 HydrophobicContact CG2-CH2 4.1Å; I183-W290 HydrophobicContact CG2-CZ2 3.66Å
184	L	90.7	Very high	86.1	Confident	1 Å²	1	51 Å²	51	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-39.3	176	-68.3	171.6	0	0	0	111.8	H180 L181 I187 K188 V210 I213 E214 Q217 W290	H180-L184 WeakPolarHBondContact O-CG 3.41Å; H180-L184 PolarHBondContact O-N 3.39Å; L181-L184 PolarHBondContact O-N 3.39Å; L184-I187 PolarHBondContact O-N 3.25Å; L184-K188 WeakPolarHBondContact O-CG 3.17Å; L184-K188 PolarHBondContact O-N 2.77Å; L184-V210 HydrophobicContact CD2-CG1 4.16Å; L184-I213 HydrophobicContact CD1-CG2 3.97Å; L184-I213 HydrophobicContact CD2-CG2 4.02Å; L184-E214 HydrophobicContact CD1-CB 3.9Å; L184-E214 HydrophobicContact CD1-CG 4.25Å; L184-Q217 HydrophobicContact CD1-CB 4.47Å; L184-W290 HydrophobicContact CD1-CZ3 4.46Å; L184-W290 HydrophobicContact CD2-CH2 3.8Å; L184-W290 HydrophobicContact CD2-CZ3 3.89Å; L184-W290 HydrophobicContact CG-CH2 3.83Å; L184-W290 HydrophobicContact CG-CZ3 4.15Å
185	E	87.2	Confident	85.2	Confident	112 Å²	112	54 Å²	54	52%	0.523	26%	0.263	S	S	.	.	H	α-helix	trans	-61.3	-46.2	172.7	-71.8	175.4	170.4	0	0	111.8	L181 K182 I183 I187 K188 T189	L181-E185 PolarHBondContact O-N 2.96Å; L181-E185 VanDerWaalsContact O-N 3.08Å; K182-E185 PolarHBondContact O-N 2.95Å; I183-E185 VanDerWaalsContact C-N 3.3Å; I183-E185 PolarHBondContact O-N 2.69Å; E185-I187 VanDerWaalsContact C-N 3.3Å; E185-I187 PolarHBondContact O-N 3.39Å; E185-K188 WeakPolarHBondContact O-CB 3.5Å; E185-K188 PolarHBondContact O-N 3.49Å; E185-K188 VanDerWaalsContact O-N 3.11Å; E185-T189 PolarHBondContact O-N 3.31Å; E185-T189 PolarHBondContact O-OG1 3.43Å
186	Q	85.8	Confident	84	Confident	97 Å²	97	54.4 Å²	54.4	45%	0.453	27%	0.268	S	S	.	.	H	α-helix	trans	-59.4	-40.4	175.2	-71.7	173.4	-1.6	0	0	112.3	K182 I183 T189 S190	K182-Q186 WeakPolarHBondContact O-CG 3.21Å; K182-Q186 PolarHBondContact O-N 3.34Å; K182-Q186 VanDerWaalsContact O-N 3.08Å; I183-Q186 WeakPolarHBondContact O-CB 3.44Å; I183-Q186 PolarHBondContact O-N 3.19Å; I183-Q186 VanDerWaalsContact O-N 3.17Å; Q186-T189 PolarHBondContact O-N 3.45Å; Q186-S190 WeakPolarHBondContact O-CB 3.18Å; Q186-S190 PolarHBondContact O-N 2.92Å; Q186-S190 PolarHBondContact O-OG 2.84Å
187	I	87.4	Confident	82.7	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-62.7	-42.8	175.3	-70.6	168.1	0	0	0	110.3	I183 L184 E185 S190 L191 V210 Y255 L284 P287	I183-I187 HydrophobicContact CG2-CD1 3.89Å; I183-I187 HydrophobicContact CG2-CG1 4.39Å; I183-I187 WeakPolarHBondContact O-CG1 3.45Å; I183-I187 PolarHBondContact O-N 3.16Å; L184-I187 PolarHBondContact O-N 3.25Å; E185-I187 VanDerWaalsContact C-N 3.3Å; E185-I187 PolarHBondContact O-N 3.39Å; I187-S190 WeakPolarHBondContact O-CB 3.37Å; I187-S190 PolarHBondContact O-N 3.49Å; I187-L191 HydrophobicContact CG2-CD1 4Å; I187-L191 HydrophobicContact CG2-CG 4.41Å; I187-L191 VanDerWaalsContact O-CG 3.29Å; I187-L191 WeakPolarHBondContact O-CG 3.31Å; I187-L191 PolarHBondContact O-N 3.11Å; I187-V210 HydrophobicContact CG2-CG2 3.96Å; I187-Y255 HydrophobicContact CG2-CE2 4.43Å; I187-L284 HydrophobicContact CG1-CD2 4.42Å; I187-L284 HydrophobicContact CG2-CD2 4.01Å; I187-P287 HydrophobicContact CD1-CG 3.63Å
188	K	87.9	Confident	81.3	Confident	39 Å²	39	64.2 Å²	64.2	17%	0.17	31%	0.307	C	S	.	.	H	α-helix	trans	-61.5	-47.2	176.3	-70.4	-178.8	-173.9	-160.9	0	112.2	L184 E185 S190 L191 D192 V210 N211 E214	L184-K188 WeakPolarHBondContact O-CG 3.17Å; L184-K188 PolarHBondContact O-N 2.77Å; E185-K188 WeakPolarHBondContact O-CB 3.5Å; E185-K188 PolarHBondContact O-N 3.49Å; E185-K188 VanDerWaalsContact O-N 3.11Å; K188-S190 VanDerWaalsContact C-N 3.26Å; K188-S190 PolarHBondContact O-N 2.83Å; K188-L191 PolarHBondContact O-N 3.03Å; K188-D192 PolarHBondContact O-N 3Å; K188-V210 HydrophobicContact CD-CG1 4.43Å; K188-V210 HydrophobicContact CG-CG1 3.76Å; K188-N211 VanDerWaalsContact CE-OD1 3.23Å; K188-N211 WeakPolarHBondContact CE-OD1 3.39Å; K188-N211 PolarHBondContact NZ-OD1 3.39Å; K188-E214 WeakPolarHBondContact CE-OE2 3.33Å; K188-E214 IonicContact NZ-OE2 2.87Å; K188-E214 PolarHBondContact NZ-OE2 2.88Å
189	T	84.5	Confident	79.8	Confident	87 Å²	87	68.3 Å²	68.3	53%	0.534	32%	0.324	S	S	.	.	H	α-helix	trans	-59.9	-40.4	176.3	-49.7	0	0	0	0	111.2	E185 Q186 D192 L193	E185-T189 PolarHBondContact O-N 3.31Å; E185-T189 PolarHBondContact O-OG1 3.43Å; Q186-T189 PolarHBondContact O-N 3.45Å; T189-D192 PolarHBondContact O-N 3.42Å; T189-L193 WeakPolarHBondContact O-CG 3.43Å; T189-L193 PolarHBondContact O-N 3.47Å; T189-L193 VanDerWaalsContact O-N 3.09Å
190	S	82.7	Confident	78.7	Confident	10 Å²	10	67.2 Å²	67.2	7%	0.07	32%	0.324	C	S	.	.	H	α-helix	trans	-64.7	-40.1	176.6	-56.2	0	0	0	0	112.1	Q186 I187 K188 L193 I194 F282	Q186-S190 WeakPolarHBondContact O-CB 3.18Å; Q186-S190 PolarHBondContact O-N 2.92Å; Q186-S190 PolarHBondContact O-OG 2.84Å; I187-S190 WeakPolarHBondContact O-CB 3.37Å; I187-S190 PolarHBondContact O-N 3.49Å; K188-S190 VanDerWaalsContact C-N 3.26Å; K188-S190 PolarHBondContact O-N 2.83Å; S190-L193 PolarHBondContact O-N 3.06Å; S190-I194 VanDerWaalsContact O-CG1 3.31Å; S190-I194 WeakPolarHBondContact O-CG1 3.47Å; S190-I194 PolarHBondContact O-N 3.09Å; S190-I194 VanDerWaalsContact O-N 3.1Å; S190-F282 VanDerWaalsContact OG-CD1 3.23Å; S190-F282 WeakPolarHBondContact OG-CD1 3.39Å
191	L	81.9	Confident	77.9	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-66.4	-35.5	174.5	-70.6	169.6	0	0	0	112.3	I187 K188 I194 K195 I203 I206 V210	I187-L191 HydrophobicContact CG2-CD1 4Å; I187-L191 HydrophobicContact CG2-CG 4.41Å; I187-L191 VanDerWaalsContact O-CG 3.29Å; I187-L191 WeakPolarHBondContact O-CG 3.31Å; I187-L191 PolarHBondContact O-N 3.11Å; K188-L191 PolarHBondContact O-N 3.03Å; L191-I194 PolarHBondContact O-N 2.94Å; L191-K195 WeakPolarHBondContact O-CB 3.38Å; L191-K195 PolarHBondContact O-N 2.94Å; L191-I203 HydrophobicContact CB-CG2 4.31Å; L191-I203 HydrophobicContact CD2-CG2 4.46Å; L191-I206 HydrophobicContact CD1-CG2 3.78Å; L191-I206 HydrophobicContact CD2-CG2 4.03Å; L191-V210 HydrophobicContact CD1-CG2 4.21Å
192	D	78.8	Confident	77.2	Confident	57 Å²	57	74.1 Å²	74.1	31%	0.305	36%	0.359	S	S	.	.	H	α-helix	trans	-65.6	-37.8	175.2	-75.6	-34.3	0	0	0	111.7	K188 T189 K195 Q196 R207	K188-D192 PolarHBondContact O-N 3Å; T189-D192 PolarHBondContact O-N 3.42Å; D192-K195 PolarHBondContact O-N 3.11Å; D192-Q196 PolarHBondContact O-N 3.02Å; D192-R207 IonicContact OD1-CZ 3.33Å; D192-R207 IonicContact OD1-NH1 2.69Å; D192-R207 PolarHBondContact OD1-NH1 3.19Å; D192-R207 IonicContact OD1-NH2 3.27Å; D192-R207 PolarHBondContact OD1-NH2 3.27Å; D192-R207 IonicContact OD2-CZ 3.97Å; D192-R207 IonicContact OD2-NH2 3.2Å; D192-R207 PolarHBondContact OD2-NH2 2.86Å
193	L	75.9	Confident	76.8	Confident	85 Å²	85	67.5 Å²	67.5	45%	0.445	33%	0.331	S	S	.	.	H	α-helix	trans	-64.6	-39.9	172.1	-69.7	169.4	0	0	0	112.4	T189 S190 F282	T189-L193 WeakPolarHBondContact O-CG 3.43Å; T189-L193 PolarHBondContact O-N 3.47Å; T189-L193 VanDerWaalsContact O-N 3.09Å; S190-L193 PolarHBondContact O-N 3.06Å; L193-F282 HydrophobicContact CD1-CE1 4.06Å
194	I	73.5	Confident	76.5	Confident	15 Å²	15	70.7 Å²	70.7	8%	0.077	35%	0.35	C	S	.	.	H	α-helix	trans	-69.7	-37.7	177.5	-64	165.9	0	0	0	110.7	S190 L191 Q196 K197 R198 I203 L284	S190-I194 VanDerWaalsContact O-CG1 3.31Å; S190-I194 WeakPolarHBondContact O-CG1 3.47Å; S190-I194 PolarHBondContact O-N 3.09Å; S190-I194 VanDerWaalsContact O-N 3.1Å; L191-I194 PolarHBondContact O-N 2.94Å; I194-Q196 PolarHBondContact O-N 2.93Å; I194-K197 PolarHBondContact O-N 3.48Å; I194-R198 PolarHBondContact O-N 2.72Å; I194-I203 HydrophobicContact CB-CD1 4.41Å; I194-I203 HydrophobicContact CG2-CD1 3.81Å; I194-L284 HydrophobicContact CD1-CD1 4.08Å
195	K	70.2	Confident	76.3	Confident	93 Å²	93	73.7 Å²	73.7	40%	0.404	37%	0.369	S	S	.	.	H	α-helix	trans	-59.2	-33.4	179.1	-172.7	-176.4	175	-171.1	0	112.8	L191 D192 K197 I203	L191-K195 WeakPolarHBondContact O-CB 3.38Å; L191-K195 PolarHBondContact O-N 2.94Å; D192-K195 PolarHBondContact O-N 3.11Å; K195-K197 PolarHBondContact O-N 2.88Å; K195-I203 HydrophobicContact CB-CD1 4.12Å; K195-I203 HydrophobicContact CB-CG2 4.32Å
196	Q	63	Low	76.2	Confident	163 Å²	163	68.5 Å²	68.5	76%	0.762	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.6	176.2	-69.8	178.7	-5.6	0	0	113.1	D192 I194	D192-Q196 PolarHBondContact O-N 3.02Å; I194-Q196 PolarHBondContact O-N 2.93Å
197	K	60.1	Low	76.3	Confident	124 Å²	124	67.7 Å²	67.7	54%	0.539	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-26.4	-171.4	-63.3	-168.4	176.3	-165.7	0	115.4	I194 K195 L274	I194-K197 PolarHBondContact O-N 3.48Å; K195-K197 PolarHBondContact O-N 2.88Å; K197-L274 HydrophobicContact CD-CD1 3.7Å
198	R	60.7	Low	76.4	Confident	121 Å²	121	71.2 Å²	71.2	46%	0.457	36%	0.363	S	S	.	.	S	Bend	trans	-154.1	166.6	-177.2	-67.4	-168.3	177.5	-167.1	-7.4	114	I194 E269	I194-R198 PolarHBondContact O-N 2.72Å; R198-E269 IonicContact CZ-OE2 3.87Å; R198-E269 IonicContact NH1-OE2 2.55Å; R198-E269 IonicContact NH2-OE2 3.36Å; R198-E269 PolarHBondContact NH2-OE2 3.36Å
199	I	60.4	Low	76.5	Confident	129 Å²	129	69.6 Å²	69.6	66%	0.662	36%	0.356	S	S	*	.			trans	-17.3	124.1	-176.9	-57.7	165.3	0	0	0	116.9
200	T	65	Low	76.8	Confident	79 Å²	79	65.4 Å²	65.4	49%	0.485	33%	0.33	S	S	.	.	H	α-helix	trans	-73.5	-31.5	-170.5	15.6	0	0	0	0	116	V204	T200-V204 WeakPolarHBondContact O-CG2 3.43Å; T200-V204 PolarHBondContact O-N 3.07Å
201	N	73.7	Confident	77.3	Confident	123 Å²	123	67.9 Å²	67.9	66%	0.658	34%	0.343	S	S	*	.	H	α-helix	trans	-76.1	-44.6	-167.4	-70.5	-12.8	0	0	0	113.9	I203 V204 T205	N201-I203 VanDerWaalsContact C-N 3.33Å; N201-I203 PolarHBondContact O-N 3.28Å; N201-V204 PolarHBondContact O-N 3.29Å; N201-T205 WeakPolarHBondContact O-CG2 3.4Å; N201-T205 PolarHBondContact O-N 2.71Å; N201-T205 VanDerWaalsContact O-N 3.14Å
202	E	75	Confident	77.8	Confident	61 Å²	61	69.5 Å²	69.5	29%	0.285	35%	0.354	S	S	.	.	H	α-helix	trans	-62.9	-41.9	179.5	-64.8	-171	158.8	0	0	111.1	V204 T205 I206 L262	E202-V204 VanDerWaalsContact C-N 3.33Å; E202-V204 PolarHBondContact O-N 2.98Å; E202-T205 PolarHBondContact O-N 3.09Å; E202-T205 VanDerWaalsContact O-N 3.17Å; E202-T205 PolarHBondContact O-OG1 3.21Å; E202-I206 WeakPolarHBondContact O-CG1 3.26Å; E202-I206 PolarHBondContact O-N 2.91Å; E202-L262 HydrophobicContact CB-CD1 4.18Å; E202-L262 WeakPolarHBondContact OE2-CD1 2.95Å
203	I	80.1	Confident	78.5	Confident	4 Å²	4	66.8 Å²	66.8	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-63.2	-39.2	177.9	-61.1	173.9	0	0	0	111.1	L191 I194 K195 N201 T205 I206 R207	L191-I203 HydrophobicContact CB-CG2 4.31Å; L191-I203 HydrophobicContact CD2-CG2 4.46Å; I194-I203 HydrophobicContact CB-CD1 4.41Å; I194-I203 HydrophobicContact CG2-CD1 3.81Å; K195-I203 HydrophobicContact CB-CD1 4.12Å; K195-I203 HydrophobicContact CB-CG2 4.32Å; N201-I203 VanDerWaalsContact C-N 3.33Å; N201-I203 PolarHBondContact O-N 3.28Å; I203-T205 VanDerWaalsContact C-N 3.35Å; I203-T205 PolarHBondContact O-N 3.2Å; I203-I206 PolarHBondContact O-N 3.49Å; I203-R207 WeakPolarHBondContact O-CB 3.48Å; I203-R207 PolarHBondContact O-N 2.87Å
204	V	83.2	Confident	79.3	Confident	82 Å²	82	63.6 Å²	63.6	50%	0.497	32%	0.322	S	S	.	.	H	α-helix	trans	-61.5	-43.6	175.1	168.7	0	0	0	0	110.9	T200 N201 E202 I206 R207 S208	T200-V204 WeakPolarHBondContact O-CG2 3.43Å; T200-V204 PolarHBondContact O-N 3.07Å; N201-V204 PolarHBondContact O-N 3.29Å; E202-V204 VanDerWaalsContact C-N 3.33Å; E202-V204 PolarHBondContact O-N 2.98Å; V204-I206 VanDerWaalsContact C-N 3.35Å; V204-I206 PolarHBondContact O-N 3.41Å; V204-R207 PolarHBondContact O-N 3.32Å; V204-S208 PolarHBondContact O-N 2.9Å
205	T	85	Confident	80.3	Confident	65 Å²	65	66.5 Å²	66.5	40%	0.399	34%	0.341	S	S	.	.	H	α-helix	trans	-67.5	-33.7	178.3	67.8	0	0	0	0	113.3	N201 E202 I203 S209 K258	N201-T205 WeakPolarHBondContact O-CG2 3.4Å; N201-T205 PolarHBondContact O-N 2.71Å; N201-T205 VanDerWaalsContact O-N 3.14Å; E202-T205 PolarHBondContact O-N 3.09Å; E202-T205 VanDerWaalsContact O-N 3.17Å; E202-T205 PolarHBondContact O-OG1 3.21Å; I203-T205 VanDerWaalsContact C-N 3.35Å; I203-T205 PolarHBondContact O-N 3.2Å; T205-S209 PolarHBondContact O-N 3.24Å; T205-K258 PolarHBondContact O-NZ 2.98Å
206	I	86.5	Confident	81.4	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-70.9	-44.1	175	-67.4	167.4	0	0	0	109.6	L191 E202 I203 V204 S208 S209 V210 Y255 K258 I259 L262	L191-I206 HydrophobicContact CD1-CG2 3.78Å; L191-I206 HydrophobicContact CD2-CG2 4.03Å; E202-I206 WeakPolarHBondContact O-CG1 3.26Å; E202-I206 PolarHBondContact O-N 2.91Å; I203-I206 PolarHBondContact O-N 3.49Å; V204-I206 VanDerWaalsContact C-N 3.35Å; V204-I206 PolarHBondContact O-N 3.41Å; I206-S208 VanDerWaalsContact C-N 3.28Å; I206-S208 PolarHBondContact O-N 3.43Å; I206-S209 WeakPolarHBondContact O-CB 3.4Å; I206-S209 PolarHBondContact O-N 3.39Å; I206-S209 VanDerWaalsContact O-N 3.09Å; I206-V210 HydrophobicContact CG2-CG2 4.34Å; I206-V210 WeakPolarHBondContact O-CG2 3.43Å; I206-V210 PolarHBondContact O-N 3.4Å; I206-Y255 HydrophobicContact CG2-CD2 3.98Å; I206-Y255 HydrophobicContact CG2-CE2 3.7Å; I206-K258 HydrophobicContact CD1-CB 4.39Å; I206-K258 HydrophobicContact CG1-CB 3.74Å; I206-K258 HydrophobicContact CG1-CD 4.45Å; I206-I259 HydrophobicContact CD1-CD1 4.25Å; I206-I259 HydrophobicContact CG2-CD1 4.45Å; I206-L262 HydrophobicContact CD1-CB 3.97Å; I206-L262 HydrophobicContact CD1-CD1 4.45Å; I206-L262 HydrophobicContact CD1-CD2 3.78Å; I206-L262 HydrophobicContact CD1-CG 4.28Å
207	R	87.7	Confident	82.9	Confident	81 Å²	81	55.4 Å²	55.4	31%	0.306	29%	0.291	S	S	.	.	H	α-helix	trans	-59.9	-39.6	177.1	-168.4	179.5	-164.1	141.4	10.7	111.8	D192 I203 V204 V210 N211	D192-R207 IonicContact OD1-CZ 3.33Å; D192-R207 IonicContact OD1-NH1 2.69Å; D192-R207 PolarHBondContact OD1-NH1 3.19Å; D192-R207 IonicContact OD1-NH2 3.27Å; D192-R207 PolarHBondContact OD1-NH2 3.27Å; D192-R207 IonicContact OD2-CZ 3.97Å; D192-R207 IonicContact OD2-NH2 3.2Å; D192-R207 PolarHBondContact OD2-NH2 2.86Å; I203-R207 WeakPolarHBondContact O-CB 3.48Å; I203-R207 PolarHBondContact O-N 2.87Å; V204-R207 PolarHBondContact O-N 3.32Å; R207-V210 PolarHBondContact O-N 2.84Å; R207-N211 WeakPolarHBondContact O-CB 3.39Å; R207-N211 VanDerWaalsContact O-CG 3.24Å; R207-N211 PolarHBondContact O-N 2.84Å; R207-N211 PolarHBondContact O-ND2 2.97Å
208	S	88	Confident	84.5	Confident	75 Å²	75	54.7 Å²	54.7	52%	0.524	29%	0.288	S	S	.	.	H	α-helix	trans	-59.3	-46.8	172.9	174.6	0	0	0	0	111.7	V204 I206 N211 S212	V204-S208 PolarHBondContact O-N 2.9Å; I206-S208 VanDerWaalsContact C-N 3.28Å; I206-S208 PolarHBondContact O-N 3.43Å; S208-N211 PolarHBondContact O-N 2.92Å; S208-S212 PolarHBondContact O-N 3.2Å
209	S	90	Very high	86	Confident	4 Å²	4	55 Å²	55	3%	0.028	29%	0.292	C	S	.	.	H	α-helix	trans	-62.6	-42.6	174.5	-76.1	0	0	0	0	112.7	T205 I206 N211 S212 I213 K258	T205-S209 PolarHBondContact O-N 3.24Å; I206-S209 WeakPolarHBondContact O-CB 3.4Å; I206-S209 PolarHBondContact O-N 3.39Å; I206-S209 VanDerWaalsContact O-N 3.09Å; S209-N211 VanDerWaalsContact C-N 3.32Å; S209-N211 PolarHBondContact O-N 3.05Å; S209-S212 WeakPolarHBondContact O-CB 3.3Å; S209-S212 PolarHBondContact O-N 3.33Å; S209-I213 VanDerWaalsContact O-CG1 3.28Å; S209-I213 WeakPolarHBondContact O-CG1 3.48Å; S209-I213 PolarHBondContact O-N 3.46Å; S209-K258 PolarHBondContact OG-NZ 3.42Å
210	V	91.6	Very high	87.6	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.9	-40.8	176.6	174.9	0	0	0	0	111.4	L184 I187 K188 L191 I206 R207 I213 E214 Y255	L184-V210 HydrophobicContact CD2-CG1 4.16Å; I187-V210 HydrophobicContact CG2-CG2 3.96Å; K188-V210 HydrophobicContact CD-CG1 4.43Å; K188-V210 HydrophobicContact CG-CG1 3.76Å; L191-V210 HydrophobicContact CD1-CG2 4.21Å; I206-V210 HydrophobicContact CG2-CG2 4.34Å; I206-V210 WeakPolarHBondContact O-CG2 3.43Å; I206-V210 PolarHBondContact O-N 3.4Å; R207-V210 PolarHBondContact O-N 2.84Å; V210-I213 PolarHBondContact O-N 3.49Å; V210-E214 WeakPolarHBondContact O-CB 3.39Å; V210-E214 PolarHBondContact O-N 2.7Å; V210-Y255 HydrophobicContact CG2-CD2 3.79Å; V210-Y255 HydrophobicContact CG2-CE2 3.54Å
211	N	92.4	Very high	88.9	Confident	62 Å²	62	45.6 Å²	45.6	33%	0.332	24%	0.24	S	C	.	.	H	α-helix	trans	-66.1	-37.3	175.5	-71.1	-20	0	0	0	112.5	K188 R207 S208 S209 T215	K188-N211 VanDerWaalsContact CE-OD1 3.23Å; K188-N211 WeakPolarHBondContact CE-OD1 3.39Å; K188-N211 PolarHBondContact NZ-OD1 3.39Å; R207-N211 WeakPolarHBondContact O-CB 3.39Å; R207-N211 VanDerWaalsContact O-CG 3.24Å; R207-N211 PolarHBondContact O-N 2.84Å; R207-N211 PolarHBondContact O-ND2 2.97Å; S208-N211 PolarHBondContact O-N 2.92Å; S209-N211 VanDerWaalsContact C-N 3.32Å; S209-N211 PolarHBondContact O-N 3.05Å; N211-T215 WeakPolarHBondContact O-CB 3.14Å; N211-T215 PolarHBondContact O-N 3.27Å; N211-T215 PolarHBondContact O-OG1 3.43Å
212	S	92.7	Very high	89.8	Confident	34 Å²	34	45.6 Å²	45.6	24%	0.238	24%	0.236	C	C	.	.	H	α-helix	trans	-62.8	-50.8	174.4	-167.9	0	0	0	0	110.8	S208 S209 E214 T215 I216 E251	S208-S212 PolarHBondContact O-N 3.2Å; S209-S212 WeakPolarHBondContact O-CB 3.3Å; S209-S212 PolarHBondContact O-N 3.33Å; S212-E214 VanDerWaalsContact C-N 3.33Å; S212-E214 PolarHBondContact O-N 2.79Å; S212-T215 PolarHBondContact O-N 2.71Å; S212-I216 WeakPolarHBondContact O-CG1 3.47Å; S212-I216 PolarHBondContact O-N 2.99Å; S212-E251 PolarHBondContact OG-OE1 2.84Å
213	I	93.1	Very high	90.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57	-46	176.3	-63.3	165.5	0	0	0	110.7	L184 S209 V210 T215 I216 Q217 E251 I252 Y255 W290	L184-I213 HydrophobicContact CD1-CG2 3.97Å; L184-I213 HydrophobicContact CD2-CG2 4.02Å; S209-I213 VanDerWaalsContact O-CG1 3.28Å; S209-I213 WeakPolarHBondContact O-CG1 3.48Å; S209-I213 PolarHBondContact O-N 3.46Å; V210-I213 PolarHBondContact O-N 3.49Å; I213-T215 VanDerWaalsContact C-N 3.35Å; I213-T215 PolarHBondContact O-N 3.47Å; I213-I216 PolarHBondContact O-N 3.43Å; I213-Q217 VanDerWaalsContact O-CB 3.26Å; I213-Q217 WeakPolarHBondContact O-CB 3.35Å; I213-Q217 PolarHBondContact O-N 3.1Å; I213-E251 HydrophobicContact CG1-CB 3.72Å; I213-I252 HydrophobicContact CD1-CG1 4Å; I213-I252 HydrophobicContact CG1-CG1 4.18Å; I213-I252 HydrophobicContact CG2-CG1 4.16Å; I213-Y255 HydrophobicContact CD1-CG 4.1Å; I213-W290 HydrophobicContact CG2-CZ3 4.33Å
214	E	93.8	Very high	91	Very high	18 Å²	18	43.2 Å²	43.2	8%	0.084	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-40	179.9	-169.5	-166	170.9	0	0	112.4	L181 L184 K188 V210 S212 Q217 K218	L181-E214 HydrophobicContact CD2-CG 4Å; L184-E214 HydrophobicContact CD1-CB 3.9Å; L184-E214 HydrophobicContact CD1-CG 4.25Å; K188-E214 WeakPolarHBondContact CE-OE2 3.33Å; K188-E214 IonicContact NZ-OE2 2.87Å; K188-E214 PolarHBondContact NZ-OE2 2.88Å; V210-E214 WeakPolarHBondContact O-CB 3.39Å; V210-E214 PolarHBondContact O-N 2.7Å; S212-E214 VanDerWaalsContact C-N 3.33Å; S212-E214 PolarHBondContact O-N 2.79Å; E214-Q217 PolarHBondContact O-N 3.3Å; E214-K218 HydrophobicContact CG-CD 4.41Å; E214-K218 WeakPolarHBondContact O-CB 3.25Å; E214-K218 WeakPolarHBondContact O-CG 3.34Å; E214-K218 PolarHBondContact O-N 3.49Å; E214-K218 WeakPolarHBondContact OE1-CE 3.45Å; E214-K218 IonicContact OE1-NZ 2.67Å; E214-K218 PolarHBondContact OE1-NZ 3.5Å
215	T	94.1	Very high	91.3	Very high	76 Å²	76	44.7 Å²	44.7	47%	0.466	23%	0.229	S	C	.	.	H	α-helix	trans	-63.5	-44.2	178.5	-62.8	0	0	0	0	110.6	N211 S212 I213 K219	N211-T215 WeakPolarHBondContact O-CB 3.14Å; N211-T215 PolarHBondContact O-N 3.27Å; N211-T215 PolarHBondContact O-OG1 3.43Å; S212-T215 PolarHBondContact O-N 2.71Å; I213-T215 VanDerWaalsContact C-N 3.35Å; I213-T215 PolarHBondContact O-N 3.47Å; T215-K219 WeakPolarHBondContact O-CG 3.25Å; T215-K219 PolarHBondContact O-N 3.07Å
216	I	93.8	Very high	91.4	Very high	24 Å²	24	42.8 Å²	42.8	12%	0.123	22%	0.217	C	C	.	.	H	α-helix	trans	-66.2	-42.8	176.1	-60	168.4	0	0	0	110.3	S212 I213 K218 K219 F220 L244 R248 E251	S212-I216 WeakPolarHBondContact O-CG1 3.47Å; S212-I216 PolarHBondContact O-N 2.99Å; I213-I216 PolarHBondContact O-N 3.43Å; I216-K218 PolarHBondContact O-N 3.04Å; I216-K219 PolarHBondContact O-N 3.3Å; I216-F220 WeakPolarHBondContact O-CB 3.35Å; I216-F220 PolarHBondContact O-N 3.49Å; I216-L244 HydrophobicContact CG2-CB 4.12Å; I216-R248 HydrophobicContact CG2-CB 3.74Å; I216-R248 HydrophobicContact CG2-CG 4.32Å; I216-E251 HydrophobicContact CD1-CB 4.5Å; I216-E251 HydrophobicContact CD1-CG 3.95Å
217	Q	93.6	Very high	91.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.9	-41.3	178.8	-172	64.5	14.1	0	0	112.5	E177 L181 L184 I213 E214 F220 I221	E177-Q217 PolarHBondContact O-NE2 3.16Å; E177-Q217 PolarHBondContact OE2-NE2 3.33Å; L181-Q217 HydrophobicContact CD2-CB 3.95Å; L181-Q217 HydrophobicContact CD2-CG 3.64Å; L181-Q217 HydrophobicContact CG-CG 4.02Å; L184-Q217 HydrophobicContact CD1-CB 4.47Å; I213-Q217 VanDerWaalsContact O-CB 3.26Å; I213-Q217 WeakPolarHBondContact O-CB 3.35Å; I213-Q217 PolarHBondContact O-N 3.1Å; E214-Q217 PolarHBondContact O-N 3.3Å; Q217-F220 PolarHBondContact O-N 3.31Å; Q217-I221 HydrophobicContact CG-CD1 4Å; Q217-I221 WeakPolarHBondContact O-CG1 3.39Å; Q217-I221 PolarHBondContact O-N 3.11Å
218	K	94	Very high	91.2	Very high	108 Å²	108	39.8 Å²	39.8	47%	0.47	21%	0.207	S	C	.	.	H	α-helix	trans	-62.7	-43.5	175.1	-76.3	178.4	-178.9	170.6	0	111.7	L181 E214 I216 F220 H222	L181-K218 HydrophobicContact CD1-CG 4.3Å; L181-K218 HydrophobicContact CD2-CG 3.85Å; E214-K218 HydrophobicContact CG-CD 4.41Å; E214-K218 WeakPolarHBondContact O-CB 3.25Å; E214-K218 WeakPolarHBondContact O-CG 3.34Å; E214-K218 PolarHBondContact O-N 3.49Å; E214-K218 WeakPolarHBondContact OE1-CE 3.45Å; E214-K218 IonicContact OE1-NZ 2.67Å; E214-K218 PolarHBondContact OE1-NZ 3.5Å; I216-K218 PolarHBondContact O-N 3.04Å; K218-F220 VanDerWaalsContact C-N 3.35Å; K218-H222 WeakPolarHBondContact O-CB 3.28Å; K218-H222 PolarHBondContact O-N 3.46Å
219	K	93.3	Very high	90.4	Very high	127 Å²	127	41.6 Å²	41.6	55%	0.552	21%	0.207	S	C	*	.	H	α-helix	trans	-62.7	-41.9	175	-70.7	178.6	180	-175.6	0	111.6	T215 I216 H222 G223 L244	T215-K219 WeakPolarHBondContact O-CG 3.25Å; T215-K219 PolarHBondContact O-N 3.07Å; I216-K219 PolarHBondContact O-N 3.3Å; K219-H222 PolarHBondContact O-N 3.39Å; K219-G223 PolarHBondContact O-N 3.3Å; K219-L244 HydrophobicContact CB-CD1 3.7Å
220	F	93.2	Very high	89	Confident	3 Å²	3	49.2 Å²	49.2	1%	0.013	25%	0.248	C	C	.	.	H	α-helix	trans	-61.7	-49.3	177.5	-178	-116	0	0	0	112.3	E177 I216 Q217 K218 H222 G223 L224 P241 F242 L244 L245	E177-F220 HydrophobicContact CB-CD1 4.44Å; E177-F220 HydrophobicContact CB-CE1 4.25Å; E177-F220 HydrophobicContact CG-CD1 4.39Å; E177-F220 HydrophobicContact CG-CE1 3.78Å; I216-F220 WeakPolarHBondContact O-CB 3.35Å; I216-F220 PolarHBondContact O-N 3.49Å; Q217-F220 PolarHBondContact O-N 3.31Å; K218-F220 VanDerWaalsContact C-N 3.35Å; F220-H222 VanDerWaalsContact C-N 3.33Å; F220-H222 PolarHBondContact O-N 3.09Å; F220-G223 PolarHBondContact O-N 3.08Å; F220-L224 HydrophobicContact CD1-CD1 4.1Å; F220-L224 HydrophobicContact CE1-CD1 3.56Å; F220-L224 HydrophobicContact CE1-CG 4.29Å; F220-L224 HydrophobicContact CE2-CD1 4.44Å; F220-L224 HydrophobicContact CE2-CG 4.33Å; F220-L224 HydrophobicContact CZ-CD1 3.75Å; F220-L224 HydrophobicContact CZ-CD2 4.33Å; F220-L224 HydrophobicContact CZ-CG 4.09Å; F220-L224 PolarHBondContact O-N 3.03Å; F220-P241 HydrophobicContact CD2-CB 3.73Å; F220-P241 WeakPolarHBondContact CD2-O 3.33Å; F220-P241 HydrophobicContact CE2-CB 3.74Å; F220-P241 WeakPolarHBondContact CE2-O 3.08Å; F220-F242 HydrophobicContact CE2-CD1 4.08Å; F220-F242 HydrophobicContact CE2-CE1 4.38Å; F220-F242 HydrophobicContact CZ-CD1 4.36Å; F220-F242 HydrophobicContact CZ-CE1 4.33Å; F220-L244 HydrophobicContact CB-CD1 4.36Å; F220-L245 HydrophobicContact CD1-CD2 4.35Å; F220-L245 HydrophobicContact CD2-CD2 4.01Å; F220-L245 HydrophobicContact CD2-CG 4.34Å; F220-L245 HydrophobicContact CE1-CD2 4.06Å; F220-L245 HydrophobicContact CE2-CD1 4.15Å; F220-L245 HydrophobicContact CE2-CD2 3.71Å; F220-L245 HydrophobicContact CE2-CG 3.88Å; F220-L245 HydrophobicContact CG-CD2 4.32Å; F220-L245 HydrophobicContact CZ-CD1 4.25Å; F220-L245 HydrophobicContact CZ-CD2 3.75Å; F220-L245 HydrophobicContact CZ-CG 4.25Å
221	I	92.7	Very high	87.6	Confident	8 Å²	8	52 Å²	52	4%	0.041	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-40.9	176.9	-70.1	162.2	0	0	0	111.3	L174 E177 L181 Q217 G223 L224 K225	L174-I221 HydrophobicContact CD1-CG2 3.94Å; E177-I221 HydrophobicContact CB-CG1 4.41Å; L181-I221 HydrophobicContact CD1-CD1 3.39Å; L181-I221 HydrophobicContact CD2-CD1 4.41Å; L181-I221 HydrophobicContact CG-CD1 3.63Å; Q217-I221 HydrophobicContact CG-CD1 4Å; Q217-I221 WeakPolarHBondContact O-CG1 3.39Å; Q217-I221 PolarHBondContact O-N 3.11Å; I221-G223 VanDerWaalsContact C-N 3.35Å; I221-L224 PolarHBondContact O-N 3.2Å; I221-K225 HydrophobicContact CG2-CD 4.45Å; I221-K225 WeakPolarHBondContact O-CG 3.45Å; I221-K225 PolarHBondContact O-N 2.78Å
222	H	92.1	Very high	86.4	Confident	124 Å²	124	53.6 Å²	53.6	57%	0.574	29%	0.285	S	S	*	.	H	α-helix	trans	-61.6	-45.3	175.5	-179	68.1	0	0	0	111.1	K218 K219 F220 K225 V226	K218-H222 WeakPolarHBondContact O-CB 3.28Å; K218-H222 PolarHBondContact O-N 3.46Å; K219-H222 PolarHBondContact O-N 3.39Å; F220-H222 VanDerWaalsContact C-N 3.33Å; F220-H222 PolarHBondContact O-N 3.09Å; H222-K225 WeakPolarHBondContact O-CB 3.27Å; H222-K225 PolarHBondContact O-N 3.29Å; H222-V226 WeakPolarHBondContact O-CG2 3.34Å; H222-V226 PolarHBondContact O-N 3.5Å
223	G	90.2	Very high	85.7	Confident	15 Å²	15	52.3 Å²	52.3	16%	0.155	28%	0.275	C	S	.	.	H	α-helix	trans	-57.5	-48.6	174.1	0	0	0	0	0	112.5	K219 F220 I221 K225 V226 C227 P241	K219-G223 PolarHBondContact O-N 3.3Å; F220-G223 PolarHBondContact O-N 3.08Å; I221-G223 VanDerWaalsContact C-N 3.35Å; G223-K225 VanDerWaalsContact C-N 3.3Å; G223-K225 PolarHBondContact O-N 2.94Å; G223-V226 WeakPolarHBondContact O-CB 3.42Å; G223-V226 PolarHBondContact O-N 3.35Å; G223-V226 VanDerWaalsContact O-N 3.09Å; G223-C227 PolarHBondContact O-N 3.26Å; G223-C227 PolarHBondContact O-SG 3.43Å; G223-P241 VanDerWaalsContact C-CG 3.41Å
224	L	90.3	Very high	85.1	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.1	-39.3	176.5	-74.2	177.4	0	0	0	112.5	L170 L173 L174 F220 I221 V226 C227 L228 P241 F242	L170-L224 HydrophobicContact CD2-CD2 4.18Å; L173-L224 HydrophobicContact CB-CD1 4.31Å; L174-L224 HydrophobicContact CD1-CB 4.14Å; F220-L224 HydrophobicContact CD1-CD1 4.1Å; F220-L224 HydrophobicContact CE1-CD1 3.56Å; F220-L224 HydrophobicContact CE1-CG 4.29Å; F220-L224 HydrophobicContact CE2-CD1 4.44Å; F220-L224 HydrophobicContact CE2-CG 4.33Å; F220-L224 HydrophobicContact CZ-CD1 3.75Å; F220-L224 HydrophobicContact CZ-CD2 4.33Å; F220-L224 HydrophobicContact CZ-CG 4.09Å; F220-L224 PolarHBondContact O-N 3.03Å; I221-L224 PolarHBondContact O-N 3.2Å; L224-V226 VanDerWaalsContact C-N 3.34Å; L224-C227 PolarHBondContact O-N 3.44Å; L224-L228 WeakPolarHBondContact O-CG 3.32Å; L224-L228 PolarHBondContact O-N 3.26Å; L224-P241 HydrophobicContact CD2-CB 4.35Å; L224-P241 HydrophobicContact CG-CB 4.35Å; L224-F242 HydrophobicContact CD2-CE1 4.37Å; L224-F242 HydrophobicContact CD2-CZ 4.12Å
225	K	89.4	Confident	84.4	Confident	113 Å²	113	57.4 Å²	57.4	49%	0.491	30%	0.298	S	S	.	.	H	α-helix	trans	-63.8	-40.8	174.9	-73.6	177.7	179.3	-175.8	0	112	L174 I221 H222 G223 C227 L228 Q229	L174-K225 HydrophobicContact CD1-CG 3.76Å; L174-K225 HydrophobicContact CD2-CG 4.12Å; I221-K225 HydrophobicContact CG2-CD 4.45Å; I221-K225 WeakPolarHBondContact O-CG 3.45Å; I221-K225 PolarHBondContact O-N 2.78Å; H222-K225 WeakPolarHBondContact O-CB 3.27Å; H222-K225 PolarHBondContact O-N 3.29Å; G223-K225 VanDerWaalsContact C-N 3.3Å; G223-K225 PolarHBondContact O-N 2.94Å; K225-C227 VanDerWaalsContact C-N 3.35Å; K225-L228 CarbonylContact O-C 3.48Å; K225-L228 PolarHBondContact O-N 3.03Å; K225-L228 VanDerWaalsContact O-N 3.15Å; K225-Q229 PolarHBondContact O-N 3.3Å
226	V	86.9	Confident	83.6	Confident	24 Å²	24	61 Å²	61	15%	0.145	32%	0.315	C	S	.	.	H	α-helix	trans	-65.6	-39.5	177.3	170.3	0	0	0	0	110.8	H222 G223 L224 L228 Q229	H222-V226 WeakPolarHBondContact O-CG2 3.34Å; H222-V226 PolarHBondContact O-N 3.5Å; G223-V226 WeakPolarHBondContact O-CB 3.42Å; G223-V226 PolarHBondContact O-N 3.35Å; G223-V226 VanDerWaalsContact O-N 3.09Å; L224-V226 VanDerWaalsContact C-N 3.34Å; V226-L228 PolarHBondContact O-N 3.29Å; V226-Q229 PolarHBondContact O-N 2.78Å
227	C	85.5	Confident	82.9	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.014	33%	0.327	C	S	.	.	H	α-helix	trans	-60.8	-24.8	172.3	-61.9	0	0	0	0	113.4	G223 L224 K225 I233 N234 Q237 P241	G223-C227 PolarHBondContact O-N 3.26Å; G223-C227 PolarHBondContact O-SG 3.43Å; L224-C227 PolarHBondContact O-N 3.44Å; K225-C227 VanDerWaalsContact C-N 3.35Å; C227-I233 WeakPolarHBondContact O-CA 3.39Å; C227-N234 PolarHBondContact O-N 3.02Å; C227-Q237 PolarHBondContact SG-O 3.09Å; C227-P241 WeakPolarHBondContact SG-CG 3.44Å
228	L	84.8	Confident	82.5	Confident	19 Å²	19	63.8 Å²	63.8	10%	0.099	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	7.2	-175.4	-70.3	166.7	0	0	0	114	R167 L170 L174 L224 K225 V226	R167-L228 HydrophobicContact CG-CD2 4.31Å; L170-L228 HydrophobicContact CB-CD1 4.28Å; L170-L228 HydrophobicContact CB-CD2 4.02Å; L170-L228 HydrophobicContact CB-CG 4.44Å; L170-L228 HydrophobicContact CD1-CD2 4.28Å; L174-L228 HydrophobicContact CB-CD1 4.37Å; L174-L228 HydrophobicContact CD2-CD1 3.92Å; L224-L228 WeakPolarHBondContact O-CG 3.32Å; L224-L228 PolarHBondContact O-N 3.26Å; K225-L228 CarbonylContact O-C 3.48Å; K225-L228 PolarHBondContact O-N 3.03Å; K225-L228 VanDerWaalsContact O-N 3.15Å; V226-L228 PolarHBondContact O-N 3.29Å
229	Q	71.4	Confident	82.2	Confident	112 Å²	112	59.7 Å²	59.7	52%	0.523	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-71.1	142	179.6	-85.8	177.8	-12.2	0	0	112.3	K225 V226	K225-Q229 PolarHBondContact O-N 3.3Å; V226-Q229 PolarHBondContact O-N 2.78Å
230	N	59.6	Low	81.8	Confident	164 Å²	164	57.3 Å²	57.3	88%	0.877	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	78.9	18.9	175.2	-51.3	-25.8	0	0	0	117.8	D232	N230-D232 PolarHBondContact O-N 3.32Å
231	G	62.8	Low	81.7	Confident	58 Å²	58	57.3 Å²	57.3	60%	0.598	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	81.9	-1.7	175.6	0	0	0	0	0	114.4	R167	R167-G231 VanDerWaalsContact CZ-O 3.31Å; R167-G231 PolarHBondContact NH1-O 3.12Å
232	D	67.4	Low	81.7	Confident	96 Å²	96	57 Å²	57	51%	0.513	30%	0.302	S	S	.	.	S	Bend	trans	-130.4	175.8	176.5	-153.9	-6.8	0	0	0	111.2	R167 N230	R167-D232 PolarHBondContact NH1-O 2.87Å; N230-D232 PolarHBondContact O-N 3.32Å
233	I	78.2	Confident	81.6	Confident	8 Å²	8	55.9 Å²	55.9	4%	0.041	30%	0.295	C	S	.	.			trans	-89.2	120.4	175.4	-57.2	175.3	0	0	0	109.2	T163 I166 R167 L170 C227 Y235 F238	T163-I233 HydrophobicContact CG2-CD1 4.14Å; I166-I233 HydrophobicContact CB-CD1 3.96Å; I166-I233 HydrophobicContact CG2-CD1 3.65Å; R167-I233 HydrophobicContact CB-CD1 4.09Å; R167-I233 HydrophobicContact CB-CG1 4.33Å; L170-I233 HydrophobicContact CD1-CD1 4.28Å; L170-I233 HydrophobicContact CD1-CG1 4.41Å; L170-I233 HydrophobicContact CD1-CG2 4.28Å; C227-I233 WeakPolarHBondContact O-CA 3.39Å; I233-Y235 HydrophobicContact CB-CD2 4.42Å; I233-Y235 HydrophobicContact CB-CE2 4.01Å; I233-Y235 HydrophobicContact CG2-CD1 4.26Å; I233-Y235 HydrophobicContact CG2-CD2 4.4Å; I233-Y235 HydrophobicContact CG2-CE1 4.1Å; I233-Y235 HydrophobicContact CG2-CE2 4.25Å; I233-Y235 HydrophobicContact CG2-CG 4.42Å; I233-Y235 WeakPolarHBondContact O-CD2 3.44Å; I233-Y235 PolarHBondContact O-N 3.4Å; I233-F238 HydrophobicContact CG2-CD2 4.02Å
234	N	80.6	Confident	81.6	Confident	49 Å²	49	57.6 Å²	57.6	26%	0.262	30%	0.301	S	S	.	.			trans	-79	87.7	172.7	-174.5	-6.3	0	0	0	110.8	C227 N236 Q237 F238	C227-N234 PolarHBondContact O-N 3.02Å; N234-N236 VanDerWaalsContact C-N 3.25Å; N234-N236 PolarHBondContact O-N 2.96Å; N234-N236 WeakPolarHBondContact OD1-CB 3.5Å; N234-N236 PolarHBondContact OD1-N 2.54Å; N234-Q237 PolarHBondContact ND2-OE1 2.9Å; N234-Q237 PolarHBondContact O-N 2.69Å; N234-Q237 VanDerWaalsContact O-N 3.16Å; N234-F238 PolarHBondContact O-N 2.73Å
235	Y	78.7	Confident	81.7	Confident	75 Å²	75	57.7 Å²	57.7	29%	0.294	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-58.7	-32.2	-179.7	-73.4	-74.5	0	0	0	113.8	I233 Q237 F238 H311	I233-Y235 HydrophobicContact CB-CD2 4.42Å; I233-Y235 HydrophobicContact CB-CE2 4.01Å; I233-Y235 HydrophobicContact CG2-CD1 4.26Å; I233-Y235 HydrophobicContact CG2-CD2 4.4Å; I233-Y235 HydrophobicContact CG2-CE1 4.1Å; I233-Y235 HydrophobicContact CG2-CE2 4.25Å; I233-Y235 HydrophobicContact CG2-CG 4.42Å; I233-Y235 WeakPolarHBondContact O-CD2 3.44Å; I233-Y235 PolarHBondContact O-N 3.4Å; Y235-Q237 PolarHBondContact O-N 3.47Å; Y235-Q237 VanDerWaalsContact O-N 3.12Å; Y235-F238 WeakPolarHBondContact O-CB 3.45Å; Y235-F238 PolarHBondContact O-N 3.48Å; Y235-F238 VanDerWaalsContact O-N 3.15Å; Y235-H311 AromaticContact CD1-CD2 3.76Å; Y235-H311 AromaticContact CD1-NE2 3.74Å; Y235-H311 PolarHBondContact O-CE1 3.1Å; Y235-H311 PolarHBondContact O-NE2 3.35Å; Y235-H311 VanDerWaalsContact O-NE2 3.16Å
236	N	76.8	Confident	81.6	Confident	153 Å²	153	54.1 Å²	54.1	82%	0.818	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-60.9	-27	178.5	-68.8	-30.1	0	0	0	113.3	N234	N234-N236 VanDerWaalsContact C-N 3.25Å; N234-N236 PolarHBondContact O-N 2.96Å; N234-N236 WeakPolarHBondContact OD1-CB 3.5Å; N234-N236 PolarHBondContact OD1-N 2.54Å
237	Q	78.7	Confident	81.8	Confident	82 Å²	82	55.9 Å²	55.9	38%	0.383	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-116	12.3	-179.5	-69.5	173.8	-18.1	0	0	112.3	C227 N234 Y235 L239 D240 P241	C227-Q237 PolarHBondContact SG-O 3.09Å; N234-Q237 PolarHBondContact ND2-OE1 2.9Å; N234-Q237 PolarHBondContact O-N 2.69Å; N234-Q237 VanDerWaalsContact O-N 3.16Å; Y235-Q237 PolarHBondContact O-N 3.47Å; Y235-Q237 VanDerWaalsContact O-N 3.12Å; Q237-L239 PolarHBondContact O-N 2.95Å; Q237-D240 PolarHBondContact O-N 3.01Å; Q237-P241 WeakPolarHBondContact O-CD 3.45Å
238	F	85.9	Confident	82.1	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-61.7	-41.4	-173.4	176.2	-95.2	0	0	0	113.7	I166 L170 I233 N234 Y235 P241 F242 L305 H311	I166-F238 HydrophobicContact CG2-CE2 4.09Å; L170-F238 HydrophobicContact CD1-CD2 4.46Å; L170-F238 HydrophobicContact CD1-CE2 4.09Å; L170-F238 HydrophobicContact CD2-CE2 4.4Å; I233-F238 HydrophobicContact CG2-CD2 4.02Å; N234-F238 PolarHBondContact O-N 2.73Å; Y235-F238 WeakPolarHBondContact O-CB 3.45Å; Y235-F238 PolarHBondContact O-N 3.48Å; Y235-F238 VanDerWaalsContact O-N 3.15Å; F238-P241 WeakPolarHBondContact O-CD 3.43Å; F238-F242 HydrophobicContact CE1-CE2 4.21Å; F238-F242 HydrophobicContact CE2-CE2 4.33Å; F238-F242 HydrophobicContact CZ-CE2 4.12Å; F238-F242 WeakPolarHBondContact O-CD2 3.3Å; F238-F242 WeakPolarHBondContact O-CE2 3.31Å; F238-L305 HydrophobicContact CE1-CD1 4Å; F238-L305 HydrophobicContact CE1-CD2 4.47Å; F238-L305 HydrophobicContact CZ-CD1 4.22Å; F238-L305 HydrophobicContact CZ-CD2 4.33Å; F238-H311 HydrophobicContact CD1-CB 3.84Å; F238-H311 AromaticContact CD1-CG 3.75Å; F238-H311 HydrophobicContact CE1-CB 4.04Å
239	L	87.3	Confident	82.3	Confident	21 Å²	21	55 Å²	55	11%	0.11	30%	0.296	C	S	.	.	S	Bend	trans	-79.7	-24	-175.3	-74.2	169.4	0	0	0	114	Q237 P241 F242 K243 H311 E314 L315	Q237-L239 PolarHBondContact O-N 2.95Å; L239-P241 VanDerWaalsContact C-CD 3.46Å; L239-F242 PolarHBondContact O-N 3.37Å; L239-F242 VanDerWaalsContact O-N 3.1Å; L239-K243 PolarHBondContact O-N 2.85Å; L239-H311 HydrophobicContact CD1-CB 4.32Å; L239-H311 HydrophobicContact CD2-CB 4.17Å; L239-H311 HydrophobicContact CG-CB 4.17Å; L239-E314 HydrophobicContact CD1-CB 3.7Å; L239-E314 HydrophobicContact CD1-CG 3.92Å; L239-E314 HydrophobicContact CD2-CB 4.13Å; L239-E314 HydrophobicContact CD2-CG 4.48Å; L239-L315 HydrophobicContact CD2-CB 4.13Å; L239-L315 HydrophobicContact CD2-CD1 4.38Å
240	D	86.2	Confident	83.1	Confident	78 Å²	78	52.9 Å²	52.9	42%	0.417	29%	0.287	S	S	.	.	H	α-helix	trans	-60.8	-40.2	-170	-70.3	-19.6	0	0	0	114.8	Q237 F242 K243	Q237-D240 PolarHBondContact O-N 3.01Å; D240-F242 VanDerWaalsContact C-N 3.35Å; D240-F242 PolarHBondContact O-N 3.37Å; D240-K243 IonicContact OD1-NZ 3.91Å; D240-K243 PolarHBondContact OD1-NZ 2.83Å
241	P	90	Very high	84.5	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.013	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-45.2	173.4	-15.6	27.3	0	0	0	110.9	F220 G223 L224 C227 Q237 F238 L239 K243 L244	F220-P241 HydrophobicContact CD2-CB 3.73Å; F220-P241 WeakPolarHBondContact CD2-O 3.33Å; F220-P241 HydrophobicContact CE2-CB 3.74Å; F220-P241 WeakPolarHBondContact CE2-O 3.08Å; G223-P241 VanDerWaalsContact C-CG 3.41Å; L224-P241 HydrophobicContact CD2-CB 4.35Å; L224-P241 HydrophobicContact CG-CB 4.35Å; C227-P241 WeakPolarHBondContact SG-CG 3.44Å; Q237-P241 WeakPolarHBondContact O-CD 3.45Å; F238-P241 WeakPolarHBondContact O-CD 3.43Å; L239-P241 VanDerWaalsContact C-CD 3.46Å; P241-K243 VanDerWaalsContact C-N 3.29Å; P241-K243 PolarHBondContact O-N 3Å; P241-L244 VanDerWaalsContact O-CB 3.27Å; P241-L244 WeakPolarHBondContact O-CB 3.37Å; P241-L244 PolarHBondContact O-N 2.92Å
242	F	92.1	Very high	85.7	Confident	1 Å²	1	44.6 Å²	44.6	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-67	-28.9	-172.5	-59	-64.8	0	0	0	113.4	L170 L173 F220 L224 F238 L239 D240 L244 L245 I298 L301 L315 I318	L170-F242 HydrophobicContact CD2-CE2 4.43Å; L170-F242 HydrophobicContact CD2-CZ 3.75Å; L173-F242 HydrophobicContact CD1-CE1 4.46Å; F220-F242 HydrophobicContact CE2-CD1 4.08Å; F220-F242 HydrophobicContact CE2-CE1 4.38Å; F220-F242 HydrophobicContact CZ-CD1 4.36Å; F220-F242 HydrophobicContact CZ-CE1 4.33Å; L224-F242 HydrophobicContact CD2-CE1 4.37Å; L224-F242 HydrophobicContact CD2-CZ 4.12Å; F238-F242 HydrophobicContact CE1-CE2 4.21Å; F238-F242 HydrophobicContact CE2-CE2 4.33Å; F238-F242 HydrophobicContact CZ-CE2 4.12Å; F238-F242 WeakPolarHBondContact O-CD2 3.3Å; F238-F242 WeakPolarHBondContact O-CE2 3.31Å; L239-F242 PolarHBondContact O-N 3.37Å; L239-F242 VanDerWaalsContact O-N 3.1Å; D240-F242 VanDerWaalsContact C-N 3.35Å; D240-F242 PolarHBondContact O-N 3.37Å; F242-L244 PolarHBondContact O-N 3.5Å; F242-L245 HydrophobicContact CB-CD1 4.42Å; F242-L245 HydrophobicContact CD1-CD1 3.86Å; F242-L245 VanDerWaalsContact O-CB 3.31Å; F242-L245 WeakPolarHBondContact O-CB 3.34Å; F242-L245 WeakPolarHBondContact O-CG 3.5Å; F242-L245 PolarHBondContact O-N 2.85Å; F242-I298 HydrophobicContact CD1-CD1 3.3Å; F242-I298 HydrophobicContact CE1-CD1 3.71Å; F242-I298 HydrophobicContact CG-CD1 4.17Å; F242-L301 HydrophobicContact CD1-CD1 4.4Å; F242-L301 HydrophobicContact CE1-CD1 3.44Å; F242-L301 VanDerWaalsContact CE1-CD1 3.44Å; F242-L301 HydrophobicContact CE2-CD1 4.21Å; F242-L301 HydrophobicContact CZ-CD1 3.33Å; F242-L315 HydrophobicContact CB-CD1 3.92Å; F242-L315 HydrophobicContact CD1-CD1 4.47Å; F242-L315 HydrophobicContact CD2-CD1 3.97Å; F242-L315 HydrophobicContact CG-CD1 3.86Å; F242-I318 HydrophobicContact CB-CD1 3.98Å
243	K	90.1	Very high	86.5	Confident	101 Å²	101	40.4 Å²	40.4	44%	0.439	21%	0.205	S	C	.	.	H	α-helix	trans	-58.3	-27.2	172.6	-67.6	171.6	-171.4	160.2	0	112.8	L239 D240 P241 L245 I318	L239-K243 PolarHBondContact O-N 2.85Å; D240-K243 IonicContact OD1-NZ 3.91Å; D240-K243 PolarHBondContact OD1-NZ 2.83Å; P241-K243 VanDerWaalsContact C-N 3.29Å; P241-K243 PolarHBondContact O-N 3Å; K243-L245 VanDerWaalsContact C-N 3.29Å; K243-L245 PolarHBondContact O-N 2.95Å; K243-I318 HydrophobicContact CG-CD1 4.17Å
244	L	91.9	Very high	86.8	Confident	51 Å²	51	43.6 Å²	43.6	27%	0.267	22%	0.223	S	C	.	.	H	α-helix	trans	-74	-18.9	178.9	-60.1	171.8	0	0	0	113.3	I216 K219 F220 P241 F242 I246 S247 R248	I216-L244 HydrophobicContact CG2-CB 4.12Å; K219-L244 HydrophobicContact CB-CD1 3.7Å; F220-L244 HydrophobicContact CB-CD1 4.36Å; P241-L244 VanDerWaalsContact O-CB 3.27Å; P241-L244 WeakPolarHBondContact O-CB 3.37Å; P241-L244 PolarHBondContact O-N 2.92Å; F242-L244 PolarHBondContact O-N 3.5Å; L244-I246 VanDerWaalsContact C-N 3.33Å; L244-I246 PolarHBondContact O-N 2.93Å; L244-S247 PolarHBondContact O-N 3.01Å; L244-R248 PolarHBondContact O-N 2.76Å
245	L	91.1	Very high	87.2	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-67.2	-33	-172.4	-67.9	178.1	0	0	0	113.1	F220 F242 K243 R248 Q249 T294 I298 L322	F220-L245 HydrophobicContact CD1-CD2 4.35Å; F220-L245 HydrophobicContact CD2-CD2 4.01Å; F220-L245 HydrophobicContact CD2-CG 4.34Å; F220-L245 HydrophobicContact CE1-CD2 4.06Å; F220-L245 HydrophobicContact CE2-CD1 4.15Å; F220-L245 HydrophobicContact CE2-CD2 3.71Å; F220-L245 HydrophobicContact CE2-CG 3.88Å; F220-L245 HydrophobicContact CG-CD2 4.32Å; F220-L245 HydrophobicContact CZ-CD1 4.25Å; F220-L245 HydrophobicContact CZ-CD2 3.75Å; F220-L245 HydrophobicContact CZ-CG 4.25Å; F242-L245 HydrophobicContact CB-CD1 4.42Å; F242-L245 HydrophobicContact CD1-CD1 3.86Å; F242-L245 VanDerWaalsContact O-CB 3.31Å; F242-L245 WeakPolarHBondContact O-CB 3.34Å; F242-L245 WeakPolarHBondContact O-CG 3.5Å; F242-L245 PolarHBondContact O-N 2.85Å; K243-L245 VanDerWaalsContact C-N 3.29Å; K243-L245 PolarHBondContact O-N 2.95Å; L245-R248 WeakPolarHBondContact O-CB 3.5Å; L245-R248 PolarHBondContact O-N 3.15Å; L245-Q249 WeakPolarHBondContact O-CB 3.42Å; L245-Q249 PolarHBondContact O-N 3.13Å; L245-T294 HydrophobicContact CB-CG2 4.23Å; L245-T294 HydrophobicContact CD1-CG2 3.8Å; L245-T294 HydrophobicContact CD2-CG2 3.92Å; L245-T294 HydrophobicContact CG-CG2 4.22Å; L245-I298 HydrophobicContact CD1-CD1 3.42Å; L245-I298 VanDerWaalsContact CD1-CD1 3.42Å; L245-I298 HydrophobicContact CD1-CG1 3.78Å; L245-L322 HydrophobicContact CB-CD1 4.22Å; L245-L322 HydrophobicContact CB-CD2 3.94Å; L245-L322 HydrophobicContact CD1-CD1 4.34Å
246	I	88.6	Confident	87.5	Confident	38 Å²	38	39 Å²	39	20%	0.195	20%	0.204	C	C	.	.	H	α-helix	trans	-63.1	-51.3	176.6	-64.6	162.7	0	0	0	109.5	L244 R248 Q249 I250 R321 L322 E325	L244-I246 VanDerWaalsContact C-N 3.33Å; L244-I246 PolarHBondContact O-N 2.93Å; I246-R248 VanDerWaalsContact C-N 3.3Å; I246-R248 PolarHBondContact O-N 3.42Å; I246-Q249 PolarHBondContact O-N 3.18Å; I246-I250 HydrophobicContact CG2-CD1 4.08Å; I246-I250 WeakPolarHBondContact O-CG1 3.35Å; I246-I250 PolarHBondContact O-N 3.16Å; I246-R321 HydrophobicContact CD1-CB 3.95Å; I246-R321 HydrophobicContact CD1-CG 3.65Å; I246-R321 HydrophobicContact CG1-CB 4.37Å; I246-R321 HydrophobicContact CG1-CG 3.99Å; I246-R321 HydrophobicContact CG2-CG 4.25Å; I246-L322 HydrophobicContact CG1-CD2 4.14Å; I246-L322 HydrophobicContact CG1-CG 4.35Å; I246-E325 HydrophobicContact CG2-CG 4.49Å
247	S	90.5	Very high	87.7	Confident	61 Å²	61	32.8 Å²	32.8	43%	0.427	18%	0.176	S	C	.	.	H	α-helix	trans	-60.5	-40.2	176.4	-56.1	0	0	0	0	112	L244 Q249 I250 E251	L244-S247 PolarHBondContact O-N 3.01Å; S247-Q249 PolarHBondContact O-N 2.69Å; S247-I250 PolarHBondContact O-N 3.41Å; S247-E251 PolarHBondContact O-N 3.35Å; S247-E251 VanDerWaalsContact O-N 3.14Å
248	R	92	Very high	88	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-58.9	-47.9	174.6	-171.5	179.8	75.3	-179.3	4.1	111.1	E177 I216 L244 L245 I246 E251 I252 T294	E177-R248 IonicContact OE1-CZ 2.69Å; E177-R248 IonicContact OE1-NH1 2.81Å; E177-R248 PolarHBondContact OE1-NH1 2.71Å; E177-R248 IonicContact OE1-NH2 2.66Å; E177-R248 PolarHBondContact OE1-NH2 2.81Å; E177-R248 IonicContact OE2-CZ 2.85Å; E177-R248 IonicContact OE2-NH1 2.75Å; E177-R248 PolarHBondContact OE2-NH1 3.3Å; E177-R248 IonicContact OE2-NH2 3.69Å; I216-R248 HydrophobicContact CG2-CB 3.74Å; I216-R248 HydrophobicContact CG2-CG 4.32Å; L244-R248 PolarHBondContact O-N 2.76Å; L245-R248 WeakPolarHBondContact O-CB 3.5Å; L245-R248 PolarHBondContact O-N 3.15Å; I246-R248 VanDerWaalsContact C-N 3.3Å; I246-R248 PolarHBondContact O-N 3.42Å; R248-E251 PolarHBondContact O-N 3.22Å; R248-I252 HydrophobicContact CG-CD1 3.84Å; R248-I252 HydrophobicContact CG-CG1 4.41Å; R248-I252 VanDerWaalsContact O-CG1 3.3Å; R248-I252 WeakPolarHBondContact O-CG1 3.48Å; R248-I252 PolarHBondContact O-N 3.16Å; R248-T294 PolarHBondContact NH2-OG1 3.33Å
249	Q	89	Confident	87.8	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.009	17%	0.173	C	C	.	.	H	α-helix	trans	-64.4	-43	-177.4	-170.6	166.5	-55.8	0	0	111.3	L245 I246 S247 E251 I252 S253 I291 L322	L245-Q249 WeakPolarHBondContact O-CB 3.42Å; L245-Q249 PolarHBondContact O-N 3.13Å; I246-Q249 PolarHBondContact O-N 3.18Å; S247-Q249 PolarHBondContact O-N 2.69Å; Q249-E251 VanDerWaalsContact C-N 3.31Å; Q249-E251 PolarHBondContact O-N 3.31Å; Q249-I252 PolarHBondContact O-N 2.89Å; Q249-S253 WeakPolarHBondContact O-CB 3.32Å; Q249-S253 PolarHBondContact O-N 2.9Å; Q249-S253 PolarHBondContact O-OG 3.49Å; Q249-I291 HydrophobicContact CG-CG1 4.31Å; Q249-I291 HydrophobicContact CG-CG2 4.17Å; Q249-L322 HydrophobicContact CB-CD2 4.27Å; Q249-L322 PolarHBondContact NE2-O 3.12Å; Q249-L322 VanDerWaalsContact OE1-CD2 3.29Å
250	I	86.8	Confident	87.3	Confident	66 Å²	66	32.8 Å²	32.8	34%	0.338	18%	0.178	S	C	.	.	H	α-helix	trans	-56.4	-45.6	174.6	-67.6	166.4	0	0	0	111.1	I246 S247 S253 N254	I246-I250 HydrophobicContact CG2-CD1 4.08Å; I246-I250 WeakPolarHBondContact O-CG1 3.35Å; I246-I250 PolarHBondContact O-N 3.16Å; S247-I250 PolarHBondContact O-N 3.41Å; I250-S253 PolarHBondContact O-N 3.42Å; I250-N254 PolarHBondContact O-N 3.37Å; I250-N254 PolarHBondContact O-ND2 2.86Å
251	E	89.3	Confident	86.9	Confident	48 Å²	48	35.2 Å²	35.2	22%	0.224	19%	0.185	C	C	.	.	H	α-helix	trans	-67.8	-39.3	178.6	-74.6	-72.9	-168.6	0	0	113.2	S212 I213 I216 S247 R248 Q249 S253 N254 Y255	S212-E251 PolarHBondContact OG-OE1 2.84Å; I213-E251 HydrophobicContact CG1-CB 3.72Å; I216-E251 HydrophobicContact CD1-CB 4.5Å; I216-E251 HydrophobicContact CD1-CG 3.95Å; S247-E251 PolarHBondContact O-N 3.35Å; S247-E251 VanDerWaalsContact O-N 3.14Å; R248-E251 PolarHBondContact O-N 3.22Å; Q249-E251 VanDerWaalsContact C-N 3.31Å; Q249-E251 PolarHBondContact O-N 3.31Å; E251-S253 VanDerWaalsContact C-N 3.3Å; E251-S253 PolarHBondContact O-N 3.4Å; E251-N254 PolarHBondContact O-N 3.26Å; E251-Y255 WeakPolarHBondContact O-CB 3.3Å; E251-Y255 PolarHBondContact O-N 3.07Å
252	I	88.5	Confident	86.3	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-43.4	172.6	-69.1	168.9	0	0	0	109.9	I213 R248 Q249 N254 Y255 V256 P287 W290 I291	I213-I252 HydrophobicContact CD1-CG1 4Å; I213-I252 HydrophobicContact CG1-CG1 4.18Å; I213-I252 HydrophobicContact CG2-CG1 4.16Å; R248-I252 HydrophobicContact CG-CD1 3.84Å; R248-I252 HydrophobicContact CG-CG1 4.41Å; R248-I252 VanDerWaalsContact O-CG1 3.3Å; R248-I252 WeakPolarHBondContact O-CG1 3.48Å; R248-I252 PolarHBondContact O-N 3.16Å; Q249-I252 PolarHBondContact O-N 2.89Å; I252-N254 PolarHBondContact O-N 3.44Å; I252-Y255 CarbonylContact O-C 3.56Å; I252-Y255 WeakPolarHBondContact O-CB 3.3Å; I252-Y255 PolarHBondContact O-N 3.01Å; I252-Y255 VanDerWaalsContact O-N 3.17Å; I252-V256 HydrophobicContact CG2-CG2 4.19Å; I252-V256 VanDerWaalsContact O-CG2 3.28Å; I252-V256 WeakPolarHBondContact O-CG2 3.5Å; I252-V256 PolarHBondContact O-N 3.45Å; I252-P287 HydrophobicContact CG2-CB 4.12Å; I252-P287 VanDerWaalsContact CG2-O 3.26Å; I252-P287 WeakPolarHBondContact CG2-O 3.44Å; I252-W290 HydrophobicContact CD1-CB 4.28Å; I252-W290 HydrophobicContact CD1-CE3 3.93Å; I252-I291 HydrophobicContact CG2-CD1 3.95Å; I252-I291 HydrophobicContact CG2-CG1 3.78Å
253	S	83.9	Confident	85.5	Confident	7 Å²	7	37.6 Å²	37.6	5%	0.049	20%	0.197	C	C	.	.	H	α-helix	trans	-64.2	-42.1	179	-58.1	0	0	0	0	112.4	Q249 I250 E251 Y255 V256 G257 S329	Q249-S253 WeakPolarHBondContact O-CB 3.32Å; Q249-S253 PolarHBondContact O-N 2.9Å; Q249-S253 PolarHBondContact O-OG 3.49Å; I250-S253 PolarHBondContact O-N 3.42Å; E251-S253 VanDerWaalsContact C-N 3.3Å; E251-S253 PolarHBondContact O-N 3.4Å; S253-Y255 VanDerWaalsContact C-N 3.32Å; S253-Y255 PolarHBondContact O-N 3.47Å; S253-V256 PolarHBondContact O-N 3.28Å; S253-G257 PolarHBondContact O-N 2.91Å; S253-S329 VanDerWaalsContact CB-OG 3.25Å; S253-S329 WeakPolarHBondContact CB-OG 3.49Å; S253-S329 WeakPolarHBondContact OG-CB 3.18Å; S253-S329 PolarHBondContact OG-OG 3.01Å
254	N	85.9	Confident	84.5	Confident	75 Å²	75	39.3 Å²	39.3	40%	0.401	20%	0.204	S	C	.	.	H	α-helix	trans	-60.7	-41.9	172.1	-71.3	-25.1	0	0	0	111.7	I250 E251 I252 G257 K258	I250-N254 PolarHBondContact O-N 3.37Å; I250-N254 PolarHBondContact O-ND2 2.86Å; E251-N254 PolarHBondContact O-N 3.26Å; I252-N254 PolarHBondContact O-N 3.44Å; N254-G257 PolarHBondContact O-N 2.97Å; N254-K258 WeakPolarHBondContact O-CG 3.43Å; N254-K258 PolarHBondContact O-N 3.24Å; N254-K258 VanDerWaalsContact O-N 3.13Å
255	Y	88.8	Confident	83.3	Confident	1 Å²	1	41.2 Å²	41.2	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-47.5	174.6	167.3	-94.9	0	0	0	112	I187 I206 V210 I213 E251 I252 S253 G257 K258 I259 L284 P287	I187-Y255 HydrophobicContact CG2-CE2 4.43Å; I206-Y255 HydrophobicContact CG2-CD2 3.98Å; I206-Y255 HydrophobicContact CG2-CE2 3.7Å; V210-Y255 HydrophobicContact CG2-CD2 3.79Å; V210-Y255 HydrophobicContact CG2-CE2 3.54Å; I213-Y255 HydrophobicContact CD1-CG 4.1Å; E251-Y255 WeakPolarHBondContact O-CB 3.3Å; E251-Y255 PolarHBondContact O-N 3.07Å; I252-Y255 CarbonylContact O-C 3.56Å; I252-Y255 WeakPolarHBondContact O-CB 3.3Å; I252-Y255 PolarHBondContact O-N 3.01Å; I252-Y255 VanDerWaalsContact O-N 3.17Å; S253-Y255 VanDerWaalsContact C-N 3.32Å; S253-Y255 PolarHBondContact O-N 3.47Å; Y255-G257 VanDerWaalsContact C-N 3.28Å; Y255-G257 PolarHBondContact O-N 3.48Å; Y255-K258 PolarHBondContact O-N 3.5Å; Y255-K258 VanDerWaalsContact O-N 3.15Å; Y255-I259 HydrophobicContact CD1-CG2 4.48Å; Y255-I259 HydrophobicContact CE1-CB 4.4Å; Y255-I259 HydrophobicContact CE1-CG2 4.12Å; Y255-I259 HydrophobicContact CE2-CB 4.48Å; Y255-I259 WeakPolarHBondContact O-CG2 3.25Å; Y255-I259 PolarHBondContact O-N 2.87Å; Y255-L284 WeakPolarHBondContact CE1-O 3.17Å; Y255-L284 PolarHBondContact OH-O 3.43Å; Y255-P287 HydrophobicContact CD1-CB 4Å; Y255-P287 HydrophobicContact CD1-CG 4.18Å; Y255-P287 HydrophobicContact CE1-CB 3.88Å; Y255-P287 HydrophobicContact CE1-CG 3.62Å
256	V	84.6	Confident	82.1	Confident	26 Å²	26	43.2 Å²	43.2	16%	0.158	23%	0.225	C	C	.	.	H	α-helix	trans	-60	-39.8	179.3	171.1	0	0	0	0	110.8	I252 S253 I259 S260 T288	I252-V256 HydrophobicContact CG2-CG2 4.19Å; I252-V256 VanDerWaalsContact O-CG2 3.28Å; I252-V256 WeakPolarHBondContact O-CG2 3.5Å; I252-V256 PolarHBondContact O-N 3.45Å; S253-V256 PolarHBondContact O-N 3.28Å; V256-I259 WeakPolarHBondContact O-CG2 3.44Å; V256-S260 VanDerWaalsContact O-CB 3.23Å; V256-S260 WeakPolarHBondContact O-CB 3.5Å; V256-S260 PolarHBondContact O-N 3.14Å; V256-S260 PolarHBondContact O-OG 3.44Å; V256-T288 HydrophobicContact CG1-CG2 4.36Å; V256-T288 HydrophobicContact CG2-CG2 4.27Å; V256-T288 WeakPolarHBondContact CG2-OG1 3.33Å
257	G	80.3	Confident	80.4	Confident	23 Å²	23	49.1 Å²	49.1	24%	0.237	25%	0.25	C	C	.	.	H	α-helix	trans	-60.5	-49.3	173.4	0	0	0	0	0	112.9	S253 N254 Y255 K261	S253-G257 PolarHBondContact O-N 2.91Å; N254-G257 PolarHBondContact O-N 2.97Å; Y255-G257 VanDerWaalsContact C-N 3.28Å; Y255-G257 PolarHBondContact O-N 3.48Å; G257-K261 PolarHBondContact O-N 3.4Å
258	K	84.5	Confident	78.4	Confident	74 Å²	74	52 Å²	52	32%	0.322	27%	0.267	S	S	.	.	H	α-helix	trans	-67.2	-44	-179.5	-66.7	170.3	-177.1	176.2	0	112.8	T205 I206 S209 N254 Y255 S260 K261 L262	T205-K258 PolarHBondContact O-NZ 2.98Å; I206-K258 HydrophobicContact CD1-CB 4.39Å; I206-K258 HydrophobicContact CG1-CB 3.74Å; I206-K258 HydrophobicContact CG1-CD 4.45Å; S209-K258 PolarHBondContact OG-NZ 3.42Å; N254-K258 WeakPolarHBondContact O-CG 3.43Å; N254-K258 PolarHBondContact O-N 3.24Å; N254-K258 VanDerWaalsContact O-N 3.13Å; Y255-K258 PolarHBondContact O-N 3.5Å; Y255-K258 VanDerWaalsContact O-N 3.15Å; K258-S260 VanDerWaalsContact C-N 3.35Å; K258-K261 WeakPolarHBondContact O-CB 3.27Å; K258-K261 PolarHBondContact O-N 3.04Å; K258-L262 PolarHBondContact O-N 3.18Å
259	I	83	Confident	76.1	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-68.3	-36.5	-179.3	-160.4	67.4	0	0	0	111.1	I206 Y255 V256 K261 L262 L263 L284	I206-I259 HydrophobicContact CD1-CD1 4.25Å; I206-I259 HydrophobicContact CG2-CD1 4.45Å; Y255-I259 HydrophobicContact CD1-CG2 4.48Å; Y255-I259 HydrophobicContact CE1-CB 4.4Å; Y255-I259 HydrophobicContact CE1-CG2 4.12Å; Y255-I259 HydrophobicContact CE2-CB 4.48Å; Y255-I259 WeakPolarHBondContact O-CG2 3.25Å; Y255-I259 PolarHBondContact O-N 2.87Å; V256-I259 WeakPolarHBondContact O-CG2 3.44Å; I259-K261 VanDerWaalsContact C-N 3.32Å; I259-K261 PolarHBondContact O-N 3.26Å; I259-L262 HydrophobicContact CD1-CD2 4.03Å; I259-L262 PolarHBondContact O-N 3.49Å; I259-L263 HydrophobicContact CG1-CD1 4.21Å; I259-L263 HydrophobicContact CG1-CG 4.42Å; I259-L263 WeakPolarHBondContact O-CB 3.35Å; I259-L263 WeakPolarHBondContact O-CG 3.37Å; I259-L263 PolarHBondContact O-N 3.31Å; I259-L284 HydrophobicContact CD1-CB 4.27Å; I259-L284 HydrophobicContact CD1-CD1 4.45Å; I259-L284 HydrophobicContact CG1-CB 4.17Å
260	S	76.3	Confident	73.8	Confident	29 Å²	29	68.4 Å²	68.4	20%	0.203	34%	0.34	C	S	.	.	H	α-helix	trans	-63.7	-38.8	174.9	-61.9	0	0	0	0	111.6	V256 K258 K264	V256-S260 VanDerWaalsContact O-CB 3.23Å; V256-S260 WeakPolarHBondContact O-CB 3.5Å; V256-S260 PolarHBondContact O-N 3.14Å; V256-S260 PolarHBondContact O-OG 3.44Å; K258-S260 VanDerWaalsContact C-N 3.35Å; S260-K264 WeakPolarHBondContact O-CB 3.38Å; S260-K264 VanDerWaalsContact O-CG 3.31Å; S260-K264 WeakPolarHBondContact O-CG 3.43Å; S260-K264 PolarHBondContact O-N 3.5Å
261	K	77.6	Confident	71.4	Confident	129 Å²	129	69.3 Å²	69.3	56%	0.561	35%	0.353	S	S	*	.	H	α-helix	trans	-64.2	-46.2	173.6	-171.2	176.6	179	178.1	0	111.7	G257 K258 I259 L263 K264 N265	G257-K261 PolarHBondContact O-N 3.4Å; K258-K261 WeakPolarHBondContact O-CB 3.27Å; K258-K261 PolarHBondContact O-N 3.04Å; I259-K261 VanDerWaalsContact C-N 3.32Å; I259-K261 PolarHBondContact O-N 3.26Å; K261-L263 PolarHBondContact O-N 2.89Å; K261-K264 PolarHBondContact O-N 3.28Å; K261-N265 VanDerWaalsContact O-CG 3.28Å; K261-N265 PolarHBondContact O-N 3.39Å; K261-N265 VanDerWaalsContact O-N 3.08Å; K261-N265 PolarHBondContact O-ND2 3.45Å
262	L	77.8	Confident	69.1	Low	11 Å²	11	73.7 Å²	73.7	6%	0.058	38%	0.377	C	S	.	.	H	α-helix	trans	-59.2	-47.8	175.8	-172.2	79.1	0	0	0	111.4	E202 I206 K258 I259 K264 N265 L266	E202-L262 HydrophobicContact CB-CD1 4.18Å; E202-L262 WeakPolarHBondContact OE2-CD1 2.95Å; I206-L262 HydrophobicContact CD1-CB 3.97Å; I206-L262 HydrophobicContact CD1-CD1 4.45Å; I206-L262 HydrophobicContact CD1-CD2 3.78Å; I206-L262 HydrophobicContact CD1-CG 4.28Å; K258-L262 PolarHBondContact O-N 3.18Å; I259-L262 HydrophobicContact CD1-CD2 4.03Å; I259-L262 PolarHBondContact O-N 3.49Å; L262-K264 VanDerWaalsContact C-N 3.33Å; L262-K264 PolarHBondContact O-N 2.97Å; L262-N265 PolarHBondContact O-N 2.83Å; L262-N265 VanDerWaalsContact O-N 3.14Å; L262-L266 HydrophobicContact CD2-CD1 4.26Å; L262-L266 HydrophobicContact CG-CD1 3.95Å; L262-L266 VanDerWaalsContact O-CG 3.26Å; L262-L266 WeakPolarHBondContact O-CG 3.23Å; L262-L266 PolarHBondContact O-N 3.48Å
263	L	74.2	Confident	66.9	Low	42 Å²	42	79.7 Å²	79.7	22%	0.22	42%	0.415	C	S	.	.	H	α-helix	trans	-64.3	-34.2	179.9	-70.6	171.3	0	0	0	112.7	I259 K261 L266 L279 Q285	I259-L263 HydrophobicContact CG1-CD1 4.21Å; I259-L263 HydrophobicContact CG1-CG 4.42Å; I259-L263 WeakPolarHBondContact O-CB 3.35Å; I259-L263 WeakPolarHBondContact O-CG 3.37Å; I259-L263 PolarHBondContact O-N 3.31Å; K261-L263 PolarHBondContact O-N 2.89Å; L263-L266 HydrophobicContact CD2-CD1 4.35Å; L263-L266 PolarHBondContact O-N 3.34Å; L263-L279 HydrophobicContact CD2-CD2 3.48Å; L263-L279 VanDerWaalsContact CD2-CD2 3.48Å; L263-Q285 HydrophobicContact CD1-CG 3.93Å
264	K	69.3	Low	65.1	Low	136 Å²	136	83.1 Å²	83.1	59%	0.591	43%	0.432	S	S	*	.	H	α-helix	trans	-67.3	-36.6	172.7	-77.2	178.2	-180	-174.9	0	112.3	S260 K261 L262 L266	S260-K264 WeakPolarHBondContact O-CB 3.38Å; S260-K264 VanDerWaalsContact O-CG 3.31Å; S260-K264 WeakPolarHBondContact O-CG 3.43Å; S260-K264 PolarHBondContact O-N 3.5Å; K261-K264 PolarHBondContact O-N 3.28Å; L262-K264 VanDerWaalsContact C-N 3.33Å; L262-K264 PolarHBondContact O-N 2.97Å; K264-L266 VanDerWaalsContact C-N 3.34Å
265	N	67.8	Low	62.9	Low	92 Å²	92	85.4 Å²	85.4	49%	0.492	44%	0.444	S	S	.	.	H	α-helix	trans	-75.7	-24.6	178.5	-67.8	-12.9	0	0	0	112.4	K261 L262 K267	K261-N265 VanDerWaalsContact O-CG 3.28Å; K261-N265 PolarHBondContact O-N 3.39Å; K261-N265 VanDerWaalsContact O-N 3.08Å; K261-N265 PolarHBondContact O-ND2 3.45Å; L262-N265 PolarHBondContact O-N 2.83Å; L262-N265 VanDerWaalsContact O-N 3.14Å; N265-K267 PolarHBondContact O-N 2.97Å
266	L	64.7	Low	60.7	Low	43 Å²	43	89.9 Å²	89.9	23%	0.225	48%	0.476	C	S	.	.			trans	-78.6	57.2	172	-68.4	163.8	0	0	0	111.1	L262 L263 K264 L279	L262-L266 HydrophobicContact CD2-CD1 4.26Å; L262-L266 HydrophobicContact CG-CD1 3.95Å; L262-L266 VanDerWaalsContact O-CG 3.26Å; L262-L266 WeakPolarHBondContact O-CG 3.23Å; L262-L266 PolarHBondContact O-N 3.48Å; L263-L266 HydrophobicContact CD2-CD1 4.35Å; L263-L266 PolarHBondContact O-N 3.34Å; K264-L266 VanDerWaalsContact C-N 3.34Å; L266-L279 HydrophobicContact CD1-CD2 4.46Å
267	K	53.8	Low	58.7	Low	163 Å²	163	96.9 Å²	96.9	71%	0.709	50%	0.504	S	S	*	.			trans	-67.4	138.2	165.5	-78.3	-176.1	179.4	177	0	109	N265 E269	N265-K267 PolarHBondContact O-N 2.97Å; K267-E269 PolarHBondContact O-N 3.36Å
268	P	49.4	Very low	57.3	Low	120 Å²	120	97.4 Å²	97.4	78%	0.779	50%	0.504	S	S	*	.			trans	-68	103.4	177.6	27.3	-31.4	0	0	0	108.8
269	E	42.3	Very low	55.7	Low	138 Å²	138	95.9 Å²	95.9	65%	0.645	50%	0.499	S	S	*	.			trans	-66.7	137.9	163.7	-86.3	174.5	145.7	0	0	108.8	R198 K267 S271	R198-E269 IonicContact CZ-OE2 3.87Å; R198-E269 IonicContact NH1-OE2 2.55Å; R198-E269 IonicContact NH2-OE2 3.36Å; R198-E269 PolarHBondContact NH2-OE2 3.36Å; K267-E269 PolarHBondContact O-N 3.36Å; E269-S271 PolarHBondContact O-N 3.01Å
270	K	41	Very low	54	Low	211 Å²	211	102.6 Å²	102.6	92%	0.917	54%	0.535	S	S	*	.	S	Bend	trans	-74.7	54.1	-174.2	-67.6	-180	174.9	179.1	0	112.1
271	S	36	Very low	52.8	Low	86 Å²	86	104.9 Å²	104.9	60%	0.601	55%	0.551	S	S	*	*	S	Bend	trans	173.5	134.1	167.1	46.3	0	0	0	0	107.3	E269	E269-S271 PolarHBondContact O-N 3.01Å
272	D	41.3	Very low	52.1	Low	139 Å²	139	100.7 Å²	100.7	74%	0.743	53%	0.533	S	S	*	.	S	Bend	trans	104.1	86	172.9	-53.1	-22.2	0	0	0	117.2	L274	D272-L274 VanDerWaalsContact C-N 3.33Å; D272-L274 PolarHBondContact O-N 2.89Å
273	T	42.8	Very low	51.7	Low	128 Å²	128	104.6 Å²	104.6	79%	0.785	55%	0.549	S	S	*	.	S	Bend	trans	49.5	16.7	135.3	67.2	0	0	0	0	121.8
274	L	45.5	Very low	51.9	Low	79 Å²	79	103 Å²	103	41%	0.414	54%	0.541	S	S	.	.			trans	-117.4	98.7	161.2	-120.7	86.4	0	0	0	110.5	K197 D272 S276 L279	K197-L274 HydrophobicContact CD-CD1 3.7Å; D272-L274 VanDerWaalsContact C-N 3.33Å; D272-L274 PolarHBondContact O-N 2.89Å; L274-S276 PolarHBondContact O-N 3.16Å; L274-L279 HydrophobicContact CD2-CD1 3.77Å
275	D	40.7	Very low	52.3	Low	122 Å²	122	101.8 Å²	101.8	65%	0.652	54%	0.537	S	S	*	.			trans	-54.9	130.9	172.6	-91.7	-19.2	0	0	0	109.7	K277 S278	D275-K277 HydrophobicContact CB-CB 4.4Å; D275-K277 PolarHBondContact O-N 2.93Å; D275-S278 WeakPolarHBondContact O-CA 3.25Å; D275-S278 WeakPolarHBondContact O-CB 3.31Å; D275-S278 PolarHBondContact O-N 3.24Å; D275-S278 PolarHBondContact O-OG 2.61Å
276	S	42	Very low	53	Low	96 Å²	96	99.6 Å²	99.6	67%	0.671	52%	0.524	S	S	*	.	H	α-helix	trans	-54.6	-19	171.8	57.3	0	0	0	0	113.3	L274	L274-S276 PolarHBondContact O-N 3.16Å
277	K	41.8	Very low	54	Low	173 Å²	173	97.5 Å²	97.5	75%	0.752	51%	0.513	S	S	*	.	H	α-helix	trans	-70.7	-31.2	169.6	-73.5	179.5	177	174.7	0	114	D275 S281	D275-K277 HydrophobicContact CB-CB 4.4Å; D275-K277 PolarHBondContact O-N 2.93Å; K277-S281 PolarHBondContact O-N 3.49Å
278	S	50.7	Low	55.2	Low	33 Å²	33	92.3 Å²	92.3	23%	0.231	50%	0.495	C	S	.	.	H	α-helix	trans	-71.3	-38.4	177.3	68.1	0	0	0	0	111.9	D275 N280 S281 F282	D275-S278 WeakPolarHBondContact O-CA 3.25Å; D275-S278 WeakPolarHBondContact O-CB 3.31Å; D275-S278 PolarHBondContact O-N 3.24Å; D275-S278 PolarHBondContact O-OG 2.61Å; S278-N280 VanDerWaalsContact C-N 3.32Å; S278-N280 PolarHBondContact O-N 2.89Å; S278-S281 PolarHBondContact O-N 3.37Å; S278-S281 PolarHBondContact O-OG 2.92Å; S278-F282 WeakPolarHBondContact O-CD2 3.45Å; S278-F282 WeakPolarHBondContact O-CE2 3.21Å; S278-F282 PolarHBondContact O-N 2.74Å
279	L	50.8	Low	56.6	Low	43 Å²	43	89.8 Å²	89.8	23%	0.225	48%	0.478	C	S	.	.	H	α-helix	trans	-63	-38.7	-179.9	-135.6	95.7	0	0	0	112.9	L263 L266 L274 S281	L263-L279 HydrophobicContact CD2-CD2 3.48Å; L263-L279 VanDerWaalsContact CD2-CD2 3.48Å; L266-L279 HydrophobicContact CD1-CD2 4.46Å; L274-L279 HydrophobicContact CD2-CD1 3.77Å; L279-S281 VanDerWaalsContact C-N 3.29Å; L279-S281 PolarHBondContact O-N 3.39Å
280	N	48.1	Very low	58.7	Low	141 Å²	141	83.3 Å²	83.3	75%	0.754	45%	0.447	S	S	*	.	H	α-helix	trans	-73.1	-17.8	175.1	-76.1	-26.2	0	0	0	113.4	S278	S278-N280 VanDerWaalsContact C-N 3.32Å; S278-N280 PolarHBondContact O-N 2.89Å
281	S	51.6	Low	60.7	Low	78 Å²	78	73.9 Å²	73.9	55%	0.545	41%	0.407	S	S	.	.	H	α-helix	trans	-81.6	-21	178.2	86	0	0	0	0	113.2	K277 S278 L279 K283	K277-S281 PolarHBondContact O-N 3.49Å; S278-S281 PolarHBondContact O-N 3.37Å; S278-S281 PolarHBondContact O-OG 2.92Å; L279-S281 VanDerWaalsContact C-N 3.29Å; L279-S281 PolarHBondContact O-N 3.39Å; S281-K283 PolarHBondContact O-N 2.84Å
282	F	63.1	Low	62.6	Low	40 Å²	40	74.3 Å²	74.3	18%	0.175	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-2.6	-176	-64.4	-57.4	0	0	0	114.7	S190 L193 S278 L284	S190-F282 VanDerWaalsContact OG-CD1 3.23Å; S190-F282 WeakPolarHBondContact OG-CD1 3.39Å; L193-F282 HydrophobicContact CD1-CE1 4.06Å; S278-F282 WeakPolarHBondContact O-CD2 3.45Å; S278-F282 WeakPolarHBondContact O-CE2 3.21Å; S278-F282 PolarHBondContact O-N 2.74Å; F282-L284 HydrophobicContact CB-CD1 4.12Å; F282-L284 HydrophobicContact CB-CD2 4.46Å; F282-L284 HydrophobicContact CB-CG 3.82Å; F282-L284 PolarHBondContact O-N 3.4Å
283	K	68.3	Low	64.5	Low	94 Å²	94	70.8 Å²	70.8	41%	0.409	39%	0.385	S	S	.	.			trans	51.9	25.2	178.5	-58.2	-158.9	-176.1	-176.4	0	115.2	S281 Q285 E286	S281-K283 PolarHBondContact O-N 2.84Å; K283-Q285 PolarHBondContact O-N 2.98Å; K283-E286 HydrophobicContact CB-CB 4.25Å; K283-E286 WeakPolarHBondContact CD-OE2 3.4Å; K283-E286 IonicContact NZ-OE1 3.01Å; K283-E286 PolarHBondContact NZ-OE1 3.15Å; K283-E286 IonicContact NZ-OE2 3.47Å; K283-E286 PolarHBondContact NZ-OE2 3.27Å; K283-E286 VanDerWaalsContact O-CB 3.23Å; K283-E286 WeakPolarHBondContact O-CB 3.34Å; K283-E286 PolarHBondContact O-N 3.31Å
284	L	78.3	Confident	66.5	Low	7 Å²	7	64.9 Å²	64.9	4%	0.037	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-18.9	-176.7	-64.8	169.9	0	0	0	114	I187 I194 Y255 I259 F282	I187-L284 HydrophobicContact CG1-CD2 4.42Å; I187-L284 HydrophobicContact CG2-CD2 4.01Å; I194-L284 HydrophobicContact CD1-CD1 4.08Å; Y255-L284 WeakPolarHBondContact CE1-O 3.17Å; Y255-L284 PolarHBondContact OH-O 3.43Å; I259-L284 HydrophobicContact CD1-CB 4.27Å; I259-L284 HydrophobicContact CD1-CD1 4.45Å; I259-L284 HydrophobicContact CG1-CB 4.17Å; F282-L284 HydrophobicContact CB-CD1 4.12Å; F282-L284 HydrophobicContact CB-CD2 4.46Å; F282-L284 HydrophobicContact CB-CG 3.82Å; F282-L284 PolarHBondContact O-N 3.4Å
285	Q	78.6	Confident	68.3	Low	111 Å²	111	62 Å²	62	52%	0.519	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-3.1	177.7	-67.8	-175.5	-32.1	0	0	113.8	L263 K283 P287 T288	L263-Q285 HydrophobicContact CD1-CG 3.93Å; K283-Q285 PolarHBondContact O-N 2.98Å; Q285-P287 VanDerWaalsContact C-CD 3.44Å; Q285-P287 VanDerWaalsContact C-N 3.33Å; Q285-T288 WeakPolarHBondContact O-CB 3.38Å; Q285-T288 PolarHBondContact O-N 2.91Å; Q285-T288 PolarHBondContact O-OG1 2.97Å
286	E	81.7	Confident	69.9	Low	46 Å²	46	60.4 Å²	60.4	22%	0.215	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-37.3	-178.1	-165.9	166.7	-146.4	0	0	113.3	I183 K283 T288 T289	I183-E286 HydrophobicContact CD1-CG 4.15Å; I183-E286 WeakPolarHBondContact CD1-OE1 3.44Å; I183-E286 WeakPolarHBondContact CD1-OE2 3.06Å; I183-E286 VanDerWaalsContact CG1-OE2 3.27Å; I183-E286 WeakPolarHBondContact CG1-OE2 3.41Å; I183-E286 HydrophobicContact CG2-CB 4.21Å; I183-E286 HydrophobicContact CG2-CG 4.24Å; I183-E286 WeakPolarHBondContact CG2-OE2 3.4Å; K283-E286 HydrophobicContact CB-CB 4.25Å; K283-E286 WeakPolarHBondContact CD-OE2 3.4Å; K283-E286 IonicContact NZ-OE1 3.01Å; K283-E286 PolarHBondContact NZ-OE1 3.15Å; K283-E286 IonicContact NZ-OE2 3.47Å; K283-E286 PolarHBondContact NZ-OE2 3.27Å; K283-E286 VanDerWaalsContact O-CB 3.23Å; K283-E286 WeakPolarHBondContact O-CB 3.34Å; K283-E286 PolarHBondContact O-N 3.31Å; E286-T288 PolarHBondContact O-N 2.96Å; E286-T289 PolarHBondContact O-N 3.25Å; E286-T289 PolarHBondContact O-OG1 3.39Å
287	P	86.3	Confident	71.9	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-56.5	-24.3	175.2	-29.1	38.2	0	0	0	115	I187 I252 Y255 Q285 T289 W290	I187-P287 HydrophobicContact CD1-CG 3.63Å; I252-P287 HydrophobicContact CG2-CB 4.12Å; I252-P287 VanDerWaalsContact CG2-O 3.26Å; I252-P287 WeakPolarHBondContact CG2-O 3.44Å; Y255-P287 HydrophobicContact CD1-CB 4Å; Y255-P287 HydrophobicContact CD1-CG 4.18Å; Y255-P287 HydrophobicContact CE1-CB 3.88Å; Y255-P287 HydrophobicContact CE1-CG 3.62Å; Q285-P287 VanDerWaalsContact C-CD 3.44Å; Q285-P287 VanDerWaalsContact C-N 3.33Å; P287-T289 VanDerWaalsContact C-N 3.28Å; P287-T289 PolarHBondContact O-N 3.48Å; P287-W290 HydrophobicContact CB-CD2 4.26Å; P287-W290 HydrophobicContact CB-CE3 3.93Å; P287-W290 HydrophobicContact CB-CH2 4.4Å; P287-W290 HydrophobicContact CB-CZ3 4.01Å; P287-W290 HydrophobicContact CG-CE3 4.41Å; P287-W290 HydrophobicContact CG-CH2 3.98Å; P287-W290 HydrophobicContact CG-CZ2 4.33Å; P287-W290 HydrophobicContact CG-CZ3 4.04Å; P287-W290 WeakPolarHBondContact O-CB 3.11Å; P287-W290 PolarHBondContact O-N 3.04Å
288	T	78.5	Confident	74.1	Confident	54 Å²	54	48.5 Å²	48.5	33%	0.331	26%	0.26	S	S	.	.	H	α-helix	trans	-62	-36.1	176.3	-40	0	0	0	0	111.9	V256 Q285 E286 W290 I291	V256-T288 HydrophobicContact CG1-CG2 4.36Å; V256-T288 HydrophobicContact CG2-CG2 4.27Å; V256-T288 WeakPolarHBondContact CG2-OG1 3.33Å; Q285-T288 WeakPolarHBondContact O-CB 3.38Å; Q285-T288 PolarHBondContact O-N 2.91Å; Q285-T288 PolarHBondContact O-OG1 2.97Å; E286-T288 PolarHBondContact O-N 2.96Å; T288-W290 PolarHBondContact O-N 2.93Å; T288-I291 PolarHBondContact O-N 3.03Å
289	T	79.1	Confident	75.6	Confident	66 Å²	66	49.2 Å²	49.2	41%	0.405	26%	0.259	S	S	.	.	H	α-helix	trans	-73.4	-20.2	-179.5	64.9	0	0	0	0	112.2	E286 P287 I291 T292 Q293	E286-T289 PolarHBondContact O-N 3.25Å; E286-T289 PolarHBondContact O-OG1 3.39Å; P287-T289 VanDerWaalsContact C-N 3.28Å; P287-T289 PolarHBondContact O-N 3.48Å; T289-I291 VanDerWaalsContact C-N 3.29Å; T289-I291 PolarHBondContact O-N 2.98Å; T289-T292 PolarHBondContact O-OG1 2.82Å; T289-Q293 VanDerWaalsContact O-CG 3.26Å; T289-Q293 WeakPolarHBondContact O-CG 3.45Å; T289-Q293 PolarHBondContact O-N 2.94Å; T289-Q293 VanDerWaalsContact O-N 3.15Å
290	W	87.4	Confident	77	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-68.9	-30.3	179.7	-55.5	-15	0	0	0	111.7	H180 I183 L184 I213 I252 P287 T288 T292 Q293 T294	H180-W290 HydrophobicContact CB-CD2 4.47Å; H180-W290 HydrophobicContact CB-CE3 4.5Å; H180-W290 HydrophobicContact CB-CH2 3.81Å; H180-W290 HydrophobicContact CB-CZ2 3.74Å; H180-W290 HydrophobicContact CB-CZ3 4.18Å; H180-W290 AromaticContact CD2-CD1 3.91Å; H180-W290 AromaticContact CD2-CE2 3.51Å; H180-W290 AromaticContact CD2-CZ2 3.83Å; H180-W290 AromaticContact CD2-NE1 3.35Å; H180-W290 PolarHBondContact CD2-NE1 3.07Å; H180-W290 AromaticContact CE1-CD1 3.53Å; H180-W290 AromaticContact CE1-CD2 3.96Å; H180-W290 AromaticContact CE1-CG 3.69Å; H180-W290 AromaticContact CE1-NE1 3.78Å; H180-W290 AromaticContact CG-CD2 3.94Å; H180-W290 AromaticContact CG-CE2 3.61Å; H180-W290 AromaticContact CG-CZ2 3.79Å; H180-W290 AromaticContact CG-NE1 3.91Å; H180-W290 AromaticContact ND1-CD2 3.83Å; H180-W290 AromaticContact ND1-CE2 3.96Å; H180-W290 AromaticContact NE2-CD1 3.36Å; H180-W290 AromaticContact NE2-CE2 3.82Å; H180-W290 AromaticContact NE2-CG 3.96Å; H180-W290 AromaticContact NE2-NE1 3.29Å; H180-W290 PolarHBondContact NE2-NE1 3.44Å; I183-W290 HydrophobicContact CB-CH2 4.36Å; I183-W290 HydrophobicContact CB-CZ2 3.93Å; I183-W290 HydrophobicContact CD1-CZ2 4.05Å; I183-W290 HydrophobicContact CG2-CH2 4.1Å; I183-W290 HydrophobicContact CG2-CZ2 3.66Å; L184-W290 HydrophobicContact CD1-CZ3 4.46Å; L184-W290 HydrophobicContact CD2-CH2 3.8Å; L184-W290 HydrophobicContact CD2-CZ3 3.89Å; L184-W290 HydrophobicContact CG-CH2 3.83Å; L184-W290 HydrophobicContact CG-CZ3 4.15Å; I213-W290 HydrophobicContact CG2-CZ3 4.33Å; I252-W290 HydrophobicContact CD1-CB 4.28Å; I252-W290 HydrophobicContact CD1-CE3 3.93Å; P287-W290 HydrophobicContact CB-CD2 4.26Å; P287-W290 HydrophobicContact CB-CE3 3.93Å; P287-W290 HydrophobicContact CB-CH2 4.4Å; P287-W290 HydrophobicContact CB-CZ3 4.01Å; P287-W290 HydrophobicContact CG-CE3 4.41Å; P287-W290 HydrophobicContact CG-CH2 3.98Å; P287-W290 HydrophobicContact CG-CZ2 4.33Å; P287-W290 HydrophobicContact CG-CZ3 4.04Å; P287-W290 WeakPolarHBondContact O-CB 3.11Å; P287-W290 PolarHBondContact O-N 3.04Å; T288-W290 PolarHBondContact O-N 2.93Å; W290-T292 PolarHBondContact O-N 3.12Å; W290-Q293 PolarHBondContact O-N 3.24Å; W290-T294 VanDerWaalsContact O-CB 3.32Å; W290-T294 WeakPolarHBondContact O-CB 3.4Å; W290-T294 PolarHBondContact O-N 2.88Å; W290-T294 PolarHBondContact O-OG1 3.48Å
291	I	82.3	Confident	78.7	Confident	14 Å²	14	42.6 Å²	42.6	7%	0.072	23%	0.226	C	C	.	.	H	α-helix	trans	-56.8	-54.4	177.2	-60.4	-179.4	0	0	0	109.8	Q249 I252 T288 T289 T294 V295	Q249-I291 HydrophobicContact CG-CG1 4.31Å; Q249-I291 HydrophobicContact CG-CG2 4.17Å; I252-I291 HydrophobicContact CG2-CD1 3.95Å; I252-I291 HydrophobicContact CG2-CG1 3.78Å; T288-I291 PolarHBondContact O-N 3.03Å; T289-I291 VanDerWaalsContact C-N 3.29Å; T289-I291 PolarHBondContact O-N 2.98Å; I291-T294 PolarHBondContact O-N 3.16Å; I291-V295 WeakPolarHBondContact O-CG2 3.46Å; I291-V295 PolarHBondContact O-N 3.37Å
292	T	75.7	Confident	80.3	Confident	95 Å²	95	39.7 Å²	39.7	58%	0.583	20%	0.204	S	C	*	.	H	α-helix	trans	-66.7	-40.4	-179.7	46.8	0	0	0	0	112.4	T289 W290 T294 V295 E296	T289-T292 PolarHBondContact O-OG1 2.82Å; W290-T292 PolarHBondContact O-N 3.12Å; T292-T294 VanDerWaalsContact C-N 3.31Å; T292-T294 PolarHBondContact O-N 3.45Å; T292-V295 PolarHBondContact O-N 2.96Å; T292-E296 PolarHBondContact O-N 3.4Å; T292-E296 VanDerWaalsContact O-N 3.15Å
293	Q	80.8	Confident	81	Confident	65 Å²	65	42 Å²	42	30%	0.304	22%	0.218	S	C	.	.	H	α-helix	trans	-63.8	-37.9	177.6	-72.4	168.2	-12.8	0	0	111.9	H176 T289 W290 E296 N297	H176-Q293 PolarHBondContact CE1-OE1 3.44Å; T289-Q293 VanDerWaalsContact O-CG 3.26Å; T289-Q293 WeakPolarHBondContact O-CG 3.45Å; T289-Q293 PolarHBondContact O-N 2.94Å; T289-Q293 VanDerWaalsContact O-N 3.15Å; W290-Q293 PolarHBondContact O-N 3.24Å; Q293-E296 PolarHBondContact O-N 3.23Å; Q293-N297 WeakPolarHBondContact O-CB 3.24Å; Q293-N297 PolarHBondContact O-N 3.36Å; Q293-N297 PolarHBondContact O-ND2 3.42Å; Q293-N297 VanDerWaalsContact O-ND2 3.1Å
294	T	85.3	Confident	81.7	Confident	4 Å²	4	39.3 Å²	39.3	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-47.8	178	-54.1	0	0	0	0	110.7	L245 R248 W290 I291 T292 E296 N297 I298 L322	L245-T294 HydrophobicContact CB-CG2 4.23Å; L245-T294 HydrophobicContact CD1-CG2 3.8Å; L245-T294 HydrophobicContact CD2-CG2 3.92Å; L245-T294 HydrophobicContact CG-CG2 4.22Å; R248-T294 PolarHBondContact NH2-OG1 3.33Å; W290-T294 VanDerWaalsContact O-CB 3.32Å; W290-T294 WeakPolarHBondContact O-CB 3.4Å; W290-T294 PolarHBondContact O-N 2.88Å; W290-T294 PolarHBondContact O-OG1 3.48Å; I291-T294 PolarHBondContact O-N 3.16Å; T292-T294 VanDerWaalsContact C-N 3.31Å; T292-T294 PolarHBondContact O-N 3.45Å; T294-E296 VanDerWaalsContact C-N 3.32Å; T294-E296 PolarHBondContact O-N 3.38Å; T294-N297 PolarHBondContact O-N 3.22Å; T294-I298 HydrophobicContact CG2-CG1 4.49Å; T294-I298 VanDerWaalsContact O-CG1 3.27Å; T294-I298 WeakPolarHBondContact O-CG1 3.31Å; T294-I298 PolarHBondContact O-N 3.46Å; T294-L322 HydrophobicContact CG2-CD1 4.15Å; T294-L322 HydrophobicContact CG2-CD2 4.47Å
295	V	83.3	Confident	81.7	Confident	18 Å²	18	39.6 Å²	39.6	11%	0.109	21%	0.21	C	C	.	.	H	α-helix	trans	-59.4	-45.2	179.2	174.9	0	0	0	0	110.7	I291 T292 I298 K299 Y319 L322 L323	I291-V295 WeakPolarHBondContact O-CG2 3.46Å; I291-V295 PolarHBondContact O-N 3.37Å; T292-V295 PolarHBondContact O-N 2.96Å; V295-I298 PolarHBondContact O-N 3.26Å; V295-K299 WeakPolarHBondContact O-CB 3.12Å; V295-K299 PolarHBondContact O-N 3.12Å; V295-Y319 HydrophobicContact CG1-CD2 4.34Å; V295-Y319 HydrophobicContact CG1-CE2 3.71Å; V295-L322 HydrophobicContact CG2-CB 4.14Å; V295-L323 HydrophobicContact CG1-CD1 4.15Å
296	E	73.5	Confident	81.6	Confident	89 Å²	89	39.2 Å²	39.2	42%	0.416	21%	0.211	S	C	.	.	H	α-helix	trans	-65.4	-44.2	179.4	-165	60.6	-151.9	0	0	112.1	T292 Q293 T294 I298 K299 T300	T292-E296 PolarHBondContact O-N 3.4Å; T292-E296 VanDerWaalsContact O-N 3.15Å; Q293-E296 PolarHBondContact O-N 3.23Å; T294-E296 VanDerWaalsContact C-N 3.32Å; T294-E296 PolarHBondContact O-N 3.38Å; E296-I298 VanDerWaalsContact C-N 3.28Å; E296-I298 PolarHBondContact O-N 3.26Å; E296-K299 WeakPolarHBondContact O-CB 3.24Å; E296-K299 PolarHBondContact O-N 3.29Å; E296-K299 VanDerWaalsContact O-N 3.17Å; E296-T300 PolarHBondContact O-N 3.4Å; E296-T300 PolarHBondContact O-OG1 3.35Å; E296-T300 VanDerWaalsContact O-OG1 3.09Å
297	N	85.7	Confident	81.2	Confident	15 Å²	15	41.7 Å²	41.7	8%	0.08	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-36.6	179.6	-72.9	-25.4	0	0	0	112.8	H169 L173 Q293 T294 L301	H169-N297 PolarHBondContact NE2-O 3.13Å; L173-N297 HydrophobicContact CD2-CB 3.48Å; L173-N297 VanDerWaalsContact CD2-CB 3.48Å; L173-N297 VanDerWaalsContact CD2-ND2 3.3Å; L173-N297 WeakPolarHBondContact CD2-ND2 3.25Å; Q293-N297 WeakPolarHBondContact O-CB 3.24Å; Q293-N297 PolarHBondContact O-N 3.36Å; Q293-N297 PolarHBondContact O-ND2 3.42Å; Q293-N297 VanDerWaalsContact O-ND2 3.1Å; T294-N297 PolarHBondContact O-N 3.22Å; N297-L301 PolarHBondContact O-N 3.22Å
298	I	87.5	Confident	80.4	Confident	3 Å²	3	49 Å²	49	2%	0.015	27%	0.268	C	S	.	.	H	α-helix	trans	-74.7	-37.9	176.5	-61.1	-65.2	0	0	0	110.7	F242 L245 T294 V295 E296 T300 L301 V302 L315 Y319 L322	F242-I298 HydrophobicContact CD1-CD1 3.3Å; F242-I298 HydrophobicContact CE1-CD1 3.71Å; F242-I298 HydrophobicContact CG-CD1 4.17Å; L245-I298 HydrophobicContact CD1-CD1 3.42Å; L245-I298 VanDerWaalsContact CD1-CD1 3.42Å; L245-I298 HydrophobicContact CD1-CG1 3.78Å; T294-I298 HydrophobicContact CG2-CG1 4.49Å; T294-I298 VanDerWaalsContact O-CG1 3.27Å; T294-I298 WeakPolarHBondContact O-CG1 3.31Å; T294-I298 PolarHBondContact O-N 3.46Å; V295-I298 PolarHBondContact O-N 3.26Å; E296-I298 VanDerWaalsContact C-N 3.28Å; E296-I298 PolarHBondContact O-N 3.26Å; I298-T300 VanDerWaalsContact C-N 3.3Å; I298-T300 PolarHBondContact O-N 3.38Å; I298-L301 HydrophobicContact CD1-CD1 4.29Å; I298-L301 PolarHBondContact O-N 3.31Å; I298-L301 VanDerWaalsContact O-N 3.13Å; I298-V302 HydrophobicContact CG2-CG2 4.34Å; I298-V302 WeakPolarHBondContact O-CG2 3.39Å; I298-V302 PolarHBondContact O-N 2.85Å; I298-L315 HydrophobicContact CD1-CD1 4.44Å; I298-L315 HydrophobicContact CG2-CD1 4.18Å; I298-L315 HydrophobicContact CG2-CG 4.16Å; I298-Y319 HydrophobicContact CG2-CD2 4.3Å; I298-L322 HydrophobicContact CB-CD1 4.41Å; I298-L322 HydrophobicContact CG1-CD1 3.87Å
299	K	81.6	Confident	80.3	Confident	48 Å²	48	47.6 Å²	47.6	21%	0.209	26%	0.261	C	S	.	.	H	α-helix	trans	-54.8	-48	172	-172.9	-170.9	173.1	-162.8	0	110.9	V295 E296 L301 V302 L303 Y319	V295-K299 WeakPolarHBondContact O-CB 3.12Å; V295-K299 PolarHBondContact O-N 3.12Å; E296-K299 WeakPolarHBondContact O-CB 3.24Å; E296-K299 PolarHBondContact O-N 3.29Å; E296-K299 VanDerWaalsContact O-N 3.17Å; K299-L301 VanDerWaalsContact C-N 3.32Å; K299-L301 PolarHBondContact O-N 2.95Å; K299-V302 PolarHBondContact O-N 3.31Å; K299-L303 HydrophobicContact CG-CD1 4.19Å; K299-L303 WeakPolarHBondContact O-CG 3.28Å; K299-L303 PolarHBondContact O-N 3.15Å; K299-Y319 HydrophobicContact CB-CD2 4.28Å; K299-Y319 HydrophobicContact CB-CE2 3.7Å; K299-Y319 HydrophobicContact CG-CE2 4.2Å
300	T	80	Confident	80.4	Confident	46 Å²	46	49.9 Å²	49.9	28%	0.282	28%	0.277	S	S	.	.	H	α-helix	trans	-58.7	-42.1	176.8	-49.1	0	0	0	0	112	H169 E296 I298 L303 L304	H169-T300 VanDerWaalsContact CE1-CB 3.48Å; H169-T300 WeakPolarHBondContact CE1-CB 3.37Å; H169-T300 VanDerWaalsContact CE1-CG2 3.48Å; H169-T300 WeakPolarHBondContact CE1-CG2 3.47Å; E296-T300 PolarHBondContact O-N 3.4Å; E296-T300 PolarHBondContact O-OG1 3.35Å; E296-T300 VanDerWaalsContact O-OG1 3.09Å; I298-T300 VanDerWaalsContact C-N 3.3Å; I298-T300 PolarHBondContact O-N 3.38Å; T300-L303 PolarHBondContact O-N 3.36Å; T300-L304 HydrophobicContact CG2-CD1 4.18Å; T300-L304 VanDerWaalsContact O-CG 3.28Å; T300-L304 WeakPolarHBondContact O-CG 3.44Å; T300-L304 PolarHBondContact O-N 3.34Å; T300-L304 VanDerWaalsContact O-N 3.14Å
301	L	84.9	Confident	80.2	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.2	-40.2	177.1	-77.5	168.8	0	0	0	113.1	I166 H169 L170 L173 F242 N297 I298 K299 L303 L304 L305 L315	I166-L301 HydrophobicContact CG2-CD2 4.34Å; H169-L301 VanDerWaalsContact CD2-CG 3.47Å; H169-L301 WeakPolarHBondContact CD2-CG 3.48Å; L170-L301 HydrophobicContact CD2-CD1 4.36Å; L170-L301 HydrophobicContact CD2-CD2 4.11Å; L170-L301 HydrophobicContact CG-CD2 4.46Å; L173-L301 HydrophobicContact CD1-CD1 3.72Å; L173-L301 HydrophobicContact CD1-CG 4.38Å; F242-L301 HydrophobicContact CD1-CD1 4.4Å; F242-L301 HydrophobicContact CE1-CD1 3.44Å; F242-L301 VanDerWaalsContact CE1-CD1 3.44Å; F242-L301 HydrophobicContact CE2-CD1 4.21Å; F242-L301 HydrophobicContact CZ-CD1 3.33Å; N297-L301 PolarHBondContact O-N 3.22Å; I298-L301 HydrophobicContact CD1-CD1 4.29Å; I298-L301 PolarHBondContact O-N 3.31Å; I298-L301 VanDerWaalsContact O-N 3.13Å; K299-L301 VanDerWaalsContact C-N 3.32Å; K299-L301 PolarHBondContact O-N 2.95Å; L301-L303 VanDerWaalsContact C-N 3.26Å; L301-L303 PolarHBondContact O-N 2.92Å; L301-L304 PolarHBondContact O-N 3.05Å; L301-L305 WeakPolarHBondContact O-CG 3.42Å; L301-L305 PolarHBondContact O-N 3.18Å; L301-L315 HydrophobicContact CB-CD2 3.67Å
302	V	84.2	Confident	80.2	Confident	16 Å²	16	52.7 Å²	52.7	10%	0.097	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-38	176.2	172.6	0	0	0	0	110.7	I298 K299 L304 L305 Y312 L315	I298-V302 HydrophobicContact CG2-CG2 4.34Å; I298-V302 WeakPolarHBondContact O-CG2 3.39Å; I298-V302 PolarHBondContact O-N 2.85Å; K299-V302 PolarHBondContact O-N 3.31Å; V302-L304 VanDerWaalsContact C-N 3.29Å; V302-L304 PolarHBondContact O-N 3.36Å; V302-L305 PolarHBondContact O-N 3.11Å; V302-Y312 HydrophobicContact CG1-CD2 4.36Å; V302-Y312 HydrophobicContact CG1-CE2 3.78Å; V302-L315 HydrophobicContact CG2-CB 4.21Å; V302-L315 HydrophobicContact CG2-CD2 3.73Å; V302-L315 HydrophobicContact CG2-CG 3.76Å
303	L	78.9	Confident	80.6	Confident	90 Å²	90	53.1 Å²	53.1	47%	0.471	29%	0.286	S	S	.	.	H	α-helix	trans	-72.1	-19.8	176.9	-68.4	170.8	0	0	0	113.8	L119 K299 T300 L301	L119-L303 HydrophobicContact CD1-CD1 4.3Å; K299-L303 HydrophobicContact CG-CD1 4.19Å; K299-L303 WeakPolarHBondContact O-CG 3.28Å; K299-L303 PolarHBondContact O-N 3.15Å; T300-L303 PolarHBondContact O-N 3.36Å; L301-L303 VanDerWaalsContact C-N 3.26Å; L301-L303 PolarHBondContact O-N 2.92Å
304	L	81.3	Confident	80.8	Confident	37 Å²	37	53.4 Å²	53.4	19%	0.194	29%	0.288	C	S	.	.	H	α-helix	trans	-93	-9.3	178.3	-70.9	173.8	0	0	0	113.2	T162 K165 I166 H169 T300 L301 V302	T162-L304 VanDerWaalsContact CG2-O 3.25Å; T162-L304 WeakPolarHBondContact CG2-O 3.27Å; K165-L304 HydrophobicContact CB-CD1 4.45Å; K165-L304 HydrophobicContact CB-CD2 3.8Å; K165-L304 HydrophobicContact CD-CD2 4.19Å; I166-L304 HydrophobicContact CG1-CB 3.84Å; H169-L304 HydrophobicContact CB-CD1 4.09Å; T300-L304 HydrophobicContact CG2-CD1 4.18Å; T300-L304 VanDerWaalsContact O-CG 3.28Å; T300-L304 WeakPolarHBondContact O-CG 3.44Å; T300-L304 PolarHBondContact O-N 3.34Å; T300-L304 VanDerWaalsContact O-N 3.14Å; L301-L304 PolarHBondContact O-N 3.05Å; V302-L304 VanDerWaalsContact C-N 3.29Å; V302-L304 PolarHBondContact O-N 3.36Å
305	L	79.2	Confident	80.9	Confident	13 Å²	13	53.2 Å²	53.2	7%	0.068	29%	0.286	C	S	.	.	S	Bend	trans	-96.9	132.3	179.3	-73.9	168.2	0	0	0	110.1	I166 F238 L301 V302 H311 Y312 L315	I166-L305 HydrophobicContact CD1-CD2 3.96Å; F238-L305 HydrophobicContact CE1-CD1 4Å; F238-L305 HydrophobicContact CE1-CD2 4.47Å; F238-L305 HydrophobicContact CZ-CD1 4.22Å; F238-L305 HydrophobicContact CZ-CD2 4.33Å; L301-L305 WeakPolarHBondContact O-CG 3.42Å; L301-L305 PolarHBondContact O-N 3.18Å; V302-L305 PolarHBondContact O-N 3.11Å; L305-H311 HydrophobicContact CD1-CB 4.4Å; L305-Y312 HydrophobicContact CB-CD2 4.23Å; L305-L315 HydrophobicContact CD1-CB 4.43Å; L305-L315 HydrophobicContact CD1-CD2 3.58Å
306	D	76.1	Confident	81	Confident	102 Å²	102	56 Å²	56	55%	0.545	30%	0.298	S	S	.	.			trans	-60.1	145.2	169.5	-69.6	-36.2	0	0	0	111.1	D308 S309 Y312	D306-D308 PolarHBondContact O-N 2.87Å; D306-D308 VanDerWaalsContact O-N 3.16Å; D306-S309 WeakPolarHBondContact O-CB 3.45Å; D306-S309 PolarHBondContact O-N 3.48Å; D306-Y312 WeakPolarHBondContact O-CB 3.5Å
307	T	72.9	Confident	81.6	Confident	99 Å²	99	57 Å²	57	61%	0.607	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.5	178.2	47.8	0	0	0	0	112.8	S309 Y312	T307-S309 VanDerWaalsContact C-N 3.29Å; T307-Y312 HydrophobicContact CG2-CE1 4.14Å; T307-Y312 HydrophobicContact CG2-CE2 4.37Å
308	D	71.3	Confident	81.7	Confident	152 Å²	152	56.6 Å²	56.6	81%	0.813	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.1	177.4	-63.7	-20.7	0	0	0	113	D306	D306-D308 PolarHBondContact O-N 2.87Å; D306-D308 VanDerWaalsContact O-N 3.16Å
309	S	76.4	Confident	81.6	Confident	26 Å²	26	59.2 Å²	59.2	18%	0.182	31%	0.309	C	S	.	.	S	Bend	trans	-62.2	132.6	176.4	-178.1	0	0	0	0	110.4	D306 T307 H311 Y312	D306-S309 WeakPolarHBondContact O-CB 3.45Å; D306-S309 PolarHBondContact O-N 3.48Å; T307-S309 VanDerWaalsContact C-N 3.29Å; S309-H311 PolarHBondContact O-N 3.47Å; S309-H311 PolarHBondContact OG-N 2.9Å; S309-Y312 WeakPolarHBondContact O-CB 3.38Å; S309-Y312 PolarHBondContact O-N 3.49Å
310	P	80.3	Confident	81.6	Confident	113 Å²	113	63.1 Å²	63.1	73%	0.734	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-13.9	174.8	26.4	-35.2	0	0	0	112.8
311	H	84.1	Confident	81.7	Confident	23 Å²	23	65.8 Å²	65.8	11%	0.106	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-19.3	179.1	-54.4	-54.2	0	0	0	114.2	Y235 F238 L239 L305 S309 E314 L315	Y235-H311 AromaticContact CD1-CD2 3.76Å; Y235-H311 AromaticContact CD1-NE2 3.74Å; Y235-H311 PolarHBondContact O-CE1 3.1Å; Y235-H311 PolarHBondContact O-NE2 3.35Å; Y235-H311 VanDerWaalsContact O-NE2 3.16Å; F238-H311 HydrophobicContact CD1-CB 3.84Å; F238-H311 AromaticContact CD1-CG 3.75Å; F238-H311 HydrophobicContact CE1-CB 4.04Å; L239-H311 HydrophobicContact CD1-CB 4.32Å; L239-H311 HydrophobicContact CD2-CB 4.17Å; L239-H311 HydrophobicContact CG-CB 4.17Å; L305-H311 HydrophobicContact CD1-CB 4.4Å; S309-H311 PolarHBondContact O-N 3.47Å; S309-H311 PolarHBondContact OG-N 2.9Å; H311-E314 PolarHBondContact O-N 2.92Å; H311-L315 WeakPolarHBondContact O-CB 3.36Å; H311-L315 PolarHBondContact O-N 3.04Å
312	Y	82	Confident	81.6	Confident	53 Å²	53	65.8 Å²	65.8	21%	0.208	33%	0.331	C	S	.	.	H	α-helix	trans	-59.6	-54.5	-172.8	175	-97.5	0	0	0	111.8	V302 L305 D306 T307 S309 E314 L315 Q316	V302-Y312 HydrophobicContact CG1-CD2 4.36Å; V302-Y312 HydrophobicContact CG1-CE2 3.78Å; L305-Y312 HydrophobicContact CB-CD2 4.23Å; D306-Y312 WeakPolarHBondContact O-CB 3.5Å; T307-Y312 HydrophobicContact CG2-CE1 4.14Å; T307-Y312 HydrophobicContact CG2-CE2 4.37Å; S309-Y312 WeakPolarHBondContact O-CB 3.38Å; S309-Y312 PolarHBondContact O-N 3.49Å; Y312-E314 VanDerWaalsContact C-N 3.31Å; Y312-E314 PolarHBondContact O-N 3Å; Y312-L315 PolarHBondContact O-N 2.94Å; Y312-Q316 VanDerWaalsContact O-CB 3.31Å; Y312-Q316 WeakPolarHBondContact O-CB 3.37Å; Y312-Q316 PolarHBondContact O-N 2.82Å; Y312-Q316 PolarHBondContact OH-NE2 3.34Å
313	L	82.8	Confident	81.2	Confident	104 Å²	104	68 Å²	68	55%	0.545	34%	0.342	S	S	.	.	H	α-helix	trans	-59.4	-41.6	-177.1	-176.3	65.6	0	0	0	112.1	K317	L313-K317 WeakPolarHBondContact O-CG 3.39Å; L313-K317 PolarHBondContact O-N 3.29Å
314	E	85.8	Confident	81	Confident	71 Å²	71	66.3 Å²	66.3	33%	0.332	33%	0.332	S	S	.	.	H	α-helix	trans	-74	-38.5	-177.8	-160.2	63.5	-163.7	0	0	111.7	L239 H311 Y312 Q316 K317 I318	L239-E314 HydrophobicContact CD1-CB 3.7Å; L239-E314 HydrophobicContact CD1-CG 3.92Å; L239-E314 HydrophobicContact CD2-CB 4.13Å; L239-E314 HydrophobicContact CD2-CG 4.48Å; H311-E314 PolarHBondContact O-N 2.92Å; Y312-E314 VanDerWaalsContact C-N 3.31Å; Y312-E314 PolarHBondContact O-N 3Å; E314-Q316 VanDerWaalsContact C-N 3.35Å; E314-K317 WeakPolarHBondContact O-CB 3.18Å; E314-K317 PolarHBondContact O-N 3.01Å; E314-K317 WeakPolarHBondContact OE2-CD 3.11Å; E314-K317 IonicContact OE2-NZ 3.82Å; E314-K317 PolarHBondContact OE2-NZ 2.96Å; E314-I318 WeakPolarHBondContact O-CG1 3.42Å; E314-I318 PolarHBondContact O-N 3.21Å
315	L	87.6	Confident	80.6	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-67.8	-36.6	174.7	-165.1	69.4	0	0	0	111.7	L239 F242 I298 L301 V302 L305 H311 Y312 I318 Y319	L239-L315 HydrophobicContact CD2-CB 4.13Å; L239-L315 HydrophobicContact CD2-CD1 4.38Å; F242-L315 HydrophobicContact CB-CD1 3.92Å; F242-L315 HydrophobicContact CD1-CD1 4.47Å; F242-L315 HydrophobicContact CD2-CD1 3.97Å; F242-L315 HydrophobicContact CG-CD1 3.86Å; I298-L315 HydrophobicContact CD1-CD1 4.44Å; I298-L315 HydrophobicContact CG2-CD1 4.18Å; I298-L315 HydrophobicContact CG2-CG 4.16Å; L301-L315 HydrophobicContact CB-CD2 3.67Å; V302-L315 HydrophobicContact CG2-CB 4.21Å; V302-L315 HydrophobicContact CG2-CD2 3.73Å; V302-L315 HydrophobicContact CG2-CG 3.76Å; L305-L315 HydrophobicContact CD1-CB 4.43Å; L305-L315 HydrophobicContact CD1-CD2 3.58Å; H311-L315 WeakPolarHBondContact O-CB 3.36Å; H311-L315 PolarHBondContact O-N 3.04Å; Y312-L315 PolarHBondContact O-N 2.94Å; L315-I318 HydrophobicContact CD1-CD1 4.46Å; L315-I318 WeakPolarHBondContact O-CB 3.24Å; L315-I318 PolarHBondContact O-N 3.23Å; L315-Y319 WeakPolarHBondContact O-CB 3.44Å; L315-Y319 PolarHBondContact O-N 2.99Å
316	Q	84.4	Confident	80.1	Confident	77 Å²	77	66.1 Å²	66.1	36%	0.36	33%	0.332	S	S	.	.	H	α-helix	trans	-63.2	-39.8	173.6	-165.7	-170	43	0	0	111.7	Y312 E314 Y319 K320	Y312-Q316 VanDerWaalsContact O-CB 3.31Å; Y312-Q316 WeakPolarHBondContact O-CB 3.37Å; Y312-Q316 PolarHBondContact O-N 2.82Å; Y312-Q316 PolarHBondContact OH-NE2 3.34Å; E314-Q316 VanDerWaalsContact C-N 3.35Å; Q316-Y319 PolarHBondContact O-N 3.43Å; Q316-K320 WeakPolarHBondContact O-CB 3.26Å; Q316-K320 PolarHBondContact O-N 3.21Å
317	K	86.2	Confident	79.2	Confident	108 Å²	108	65.4 Å²	65.4	47%	0.47	33%	0.328	S	S	.	.	H	α-helix	trans	-60.7	-44.7	170.9	-71.8	174.2	-162	160.4	0	111.6	L313 E314 K320 R321	L313-K317 WeakPolarHBondContact O-CG 3.39Å; L313-K317 PolarHBondContact O-N 3.29Å; E314-K317 WeakPolarHBondContact O-CB 3.18Å; E314-K317 PolarHBondContact O-N 3.01Å; E314-K317 WeakPolarHBondContact OE2-CD 3.11Å; E314-K317 IonicContact OE2-NZ 3.82Å; E314-K317 PolarHBondContact OE2-NZ 2.96Å; K317-K320 PolarHBondContact O-N 2.7Å; K317-R321 WeakPolarHBondContact O-CB 3.31Å; K317-R321 PolarHBondContact O-N 2.65Å
318	I	87.7	Confident	78.3	Confident	8 Å²	8	64.5 Å²	64.5	4%	0.041	32%	0.319	C	S	.	.	H	α-helix	trans	-61	-47.3	176.3	-67.3	167.1	0	0	0	110.3	F242 K243 E314 L315 K320 R321 L322	F242-I318 HydrophobicContact CB-CD1 3.98Å; K243-I318 HydrophobicContact CG-CD1 4.17Å; E314-I318 WeakPolarHBondContact O-CG1 3.42Å; E314-I318 PolarHBondContact O-N 3.21Å; L315-I318 HydrophobicContact CD1-CD1 4.46Å; L315-I318 WeakPolarHBondContact O-CB 3.24Å; L315-I318 PolarHBondContact O-N 3.23Å; I318-K320 PolarHBondContact O-N 3.07Å; I318-R321 PolarHBondContact O-N 3.39Å; I318-L322 HydrophobicContact CG2-CD1 3.81Å; I318-L322 HydrophobicContact CG2-CG 4.24Å; I318-L322 VanDerWaalsContact O-CG 3.31Å; I318-L322 WeakPolarHBondContact O-CG 3.24Å; I318-L322 PolarHBondContact O-N 3.25Å
319	Y	86.4	Confident	77.2	Confident	57 Å²	57	58.1 Å²	58.1	22%	0.224	29%	0.286	C	S	.	.	H	α-helix	trans	-56	-52.2	176.8	172.8	-115.5	0	0	0	111.8	V295 I298 K299 L315 Q316 R321 L322 L323	V295-Y319 HydrophobicContact CG1-CD2 4.34Å; V295-Y319 HydrophobicContact CG1-CE2 3.71Å; I298-Y319 HydrophobicContact CG2-CD2 4.3Å; K299-Y319 HydrophobicContact CB-CD2 4.28Å; K299-Y319 HydrophobicContact CB-CE2 3.7Å; K299-Y319 HydrophobicContact CG-CE2 4.2Å; L315-Y319 WeakPolarHBondContact O-CB 3.44Å; L315-Y319 PolarHBondContact O-N 2.99Å; Q316-Y319 PolarHBondContact O-N 3.43Å; Y319-R321 VanDerWaalsContact C-N 3.27Å; Y319-R321 PolarHBondContact O-N 3.44Å; Y319-L322 PolarHBondContact O-N 3.42Å; Y319-L323 HydrophobicContact CE1-CD1 4.34Å; Y319-L323 HydrophobicContact CE2-CD1 4.13Å; Y319-L323 WeakPolarHBondContact O-CB 3.4Å; Y319-L323 PolarHBondContact O-N 3.37Å
320	K	80.9	Confident	75.8	Confident	131 Å²	131	60.9 Å²	60.9	57%	0.57	30%	0.299	S	S	*	.	H	α-helix	trans	-57.7	-42.9	177.6	-173.7	175.3	-178.3	174.2	0	111	Q316 K317 I318 L323 E324	Q316-K320 WeakPolarHBondContact O-CB 3.26Å; Q316-K320 PolarHBondContact O-N 3.21Å; K317-K320 PolarHBondContact O-N 2.7Å; I318-K320 PolarHBondContact O-N 3.07Å; K320-L323 PolarHBondContact O-N 2.86Å; K320-E324 WeakPolarHBondContact O-CG 3.37Å; K320-E324 PolarHBondContact O-N 2.92Å
321	R	82.5	Confident	73.7	Confident	101 Å²	101	58.6 Å²	58.6	38%	0.381	28%	0.28	S	S	.	.	H	α-helix	trans	-67.8	-41	179.3	-172.5	57.8	-177.5	179.6	1.3	112.8	I246 K317 I318 Y319 L323 E324 E325	I246-R321 HydrophobicContact CD1-CB 3.95Å; I246-R321 HydrophobicContact CD1-CG 3.65Å; I246-R321 HydrophobicContact CG1-CB 4.37Å; I246-R321 HydrophobicContact CG1-CG 3.99Å; I246-R321 HydrophobicContact CG2-CG 4.25Å; K317-R321 WeakPolarHBondContact O-CB 3.31Å; K317-R321 PolarHBondContact O-N 2.65Å; I318-R321 PolarHBondContact O-N 3.39Å; Y319-R321 VanDerWaalsContact C-N 3.27Å; Y319-R321 PolarHBondContact O-N 3.44Å; R321-L323 VanDerWaalsContact C-N 3.28Å; R321-L323 PolarHBondContact O-N 3.45Å; R321-E324 IonicContact CZ-OE2 3.89Å; R321-E324 IonicContact NH1-OE2 3.68Å; R321-E324 PolarHBondContact NH1-OE2 3.29Å; R321-E324 PolarHBondContact O-N 3.26Å; R321-E325 IonicContact CZ-OE1 3.44Å; R321-E325 IonicContact NE-OE1 2.86Å; R321-E325 PolarHBondContact NE-OE1 3.24Å; R321-E325 IonicContact NH2-OE1 2.79Å; R321-E325 PolarHBondContact NH2-OE1 3.05Å; R321-E325 WeakPolarHBondContact O-CB 3.24Å; R321-E325 WeakPolarHBondContact O-CG 3.3Å; R321-E325 PolarHBondContact O-N 3.18Å
322	L	83.6	Confident	71.4	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.4	-39.3	173.7	-71.5	168	0	0	0	111.2	L245 I246 Q249 T294 V295 I298 I318 Y319 E325 S326	L245-L322 HydrophobicContact CB-CD1 4.22Å; L245-L322 HydrophobicContact CB-CD2 3.94Å; L245-L322 HydrophobicContact CD1-CD1 4.34Å; I246-L322 HydrophobicContact CG1-CD2 4.14Å; I246-L322 HydrophobicContact CG1-CG 4.35Å; Q249-L322 HydrophobicContact CB-CD2 4.27Å; Q249-L322 PolarHBondContact NE2-O 3.12Å; Q249-L322 VanDerWaalsContact OE1-CD2 3.29Å; T294-L322 HydrophobicContact CG2-CD1 4.15Å; T294-L322 HydrophobicContact CG2-CD2 4.47Å; V295-L322 HydrophobicContact CG2-CB 4.14Å; I298-L322 HydrophobicContact CB-CD1 4.41Å; I298-L322 HydrophobicContact CG1-CD1 3.87Å; I318-L322 HydrophobicContact CG2-CD1 3.81Å; I318-L322 HydrophobicContact CG2-CG 4.24Å; I318-L322 VanDerWaalsContact O-CG 3.31Å; I318-L322 WeakPolarHBondContact O-CG 3.24Å; I318-L322 PolarHBondContact O-N 3.25Å; Y319-L322 PolarHBondContact O-N 3.42Å; L322-E325 PolarHBondContact O-N 3.41Å; L322-S326 WeakPolarHBondContact O-CB 3.48Å; L322-S326 PolarHBondContact O-N 2.94Å
323	L	75.4	Confident	69.4	Low	64 Å²	64	62.9 Å²	62.9	34%	0.335	31%	0.313	S	S	.	.	H	α-helix	trans	-65.9	-46.2	177	-156	136.6	0	0	0	110.9	V295 Y319 K320 R321 E325 S326 L327	V295-L323 HydrophobicContact CG1-CD1 4.15Å; Y319-L323 HydrophobicContact CE1-CD1 4.34Å; Y319-L323 HydrophobicContact CE2-CD1 4.13Å; Y319-L323 WeakPolarHBondContact O-CB 3.4Å; Y319-L323 PolarHBondContact O-N 3.37Å; K320-L323 PolarHBondContact O-N 2.86Å; R321-L323 VanDerWaalsContact C-N 3.28Å; R321-L323 PolarHBondContact O-N 3.45Å; L323-E325 PolarHBondContact O-N 2.96Å; L323-S326 PolarHBondContact O-N 3.28Å; L323-S326 PolarHBondContact O-OG 3.01Å; L323-L327 HydrophobicContact CD2-CD1 4.06Å; L323-L327 WeakPolarHBondContact O-CG 3.47Å; L323-L327 PolarHBondContact O-N 3.01Å; L323-L327 VanDerWaalsContact O-N 3.14Å
324	E	74.9	Confident	66.9	Low	54 Å²	54	63.8 Å²	63.8	25%	0.252	32%	0.315	S	S	.	.	H	α-helix	trans	-57.2	-47.4	172	-72.9	-179	169.5	0	0	112.5	K320 R321 S326 L327 N328	K320-E324 WeakPolarHBondContact O-CG 3.37Å; K320-E324 PolarHBondContact O-N 2.92Å; R321-E324 IonicContact CZ-OE2 3.89Å; R321-E324 IonicContact NH1-OE2 3.68Å; R321-E324 PolarHBondContact NH1-OE2 3.29Å; R321-E324 PolarHBondContact O-N 3.26Å; E324-S326 VanDerWaalsContact C-N 3.3Å; E324-S326 PolarHBondContact O-N 3.47Å; E324-L327 WeakPolarHBondContact O-CB 3.43Å; E324-L327 PolarHBondContact O-N 3.32Å; E324-N328 VanDerWaalsContact O-CG 3.24Å; E324-N328 PolarHBondContact O-N 2.86Å; E324-N328 PolarHBondContact O-ND2 3.38Å
325	E	72.8	Confident	64.3	Low	23 Å²	23	66.5 Å²	66.5	11%	0.107	33%	0.331	C	S	.	.	H	α-helix	trans	-66.1	-33.6	179	-72	-60.3	165.9	0	0	111.9	I246 R321 L322 L323 L327 N328 S329	I246-E325 HydrophobicContact CG2-CG 4.49Å; R321-E325 IonicContact CZ-OE1 3.44Å; R321-E325 IonicContact NE-OE1 2.86Å; R321-E325 PolarHBondContact NE-OE1 3.24Å; R321-E325 IonicContact NH2-OE1 2.79Å; R321-E325 PolarHBondContact NH2-OE1 3.05Å; R321-E325 WeakPolarHBondContact O-CB 3.24Å; R321-E325 WeakPolarHBondContact O-CG 3.3Å; R321-E325 PolarHBondContact O-N 3.18Å; L322-E325 PolarHBondContact O-N 3.41Å; L323-E325 PolarHBondContact O-N 2.96Å; E325-L327 VanDerWaalsContact C-N 3.28Å; E325-L327 PolarHBondContact O-N 3.37Å; E325-N328 PolarHBondContact O-N 3.03Å; E325-S329 WeakPolarHBondContact O-CB 3.28Å; E325-S329 PolarHBondContact O-N 2.85Å; E325-S329 PolarHBondContact O-OG 3.29Å
326	S	68.1	Low	61.8	Low	22 Å²	22	77.5 Å²	77.5	15%	0.154	38%	0.379	C	S	.	.	H	α-helix	trans	-67.1	-34.2	178	74.9	0	0	0	0	111.3	L322 L323 E324 N330	L322-S326 WeakPolarHBondContact O-CB 3.48Å; L322-S326 PolarHBondContact O-N 2.94Å; L323-S326 PolarHBondContact O-N 3.28Å; L323-S326 PolarHBondContact O-OG 3.01Å; E324-S326 VanDerWaalsContact C-N 3.3Å; E324-S326 PolarHBondContact O-N 3.47Å; S326-N330 PolarHBondContact O-ND2 3.39Å
327	L	56.8	Low	59.6	Low	88 Å²	88	79.8 Å²	79.8	46%	0.461	40%	0.398	S	S	.	.	H	α-helix	trans	-70.9	-40.2	173.1	-65.3	167.6	0	0	0	111.4	L323 E324 E325 N331	L323-L327 HydrophobicContact CD2-CD1 4.06Å; L323-L327 WeakPolarHBondContact O-CG 3.47Å; L323-L327 PolarHBondContact O-N 3.01Å; L323-L327 VanDerWaalsContact O-N 3.14Å; E324-L327 WeakPolarHBondContact O-CB 3.43Å; E324-L327 PolarHBondContact O-N 3.32Å; E325-L327 VanDerWaalsContact C-N 3.28Å; E325-L327 PolarHBondContact O-N 3.37Å; L327-N331 PolarHBondContact O-ND2 3.41Å
328	N	54.4	Low	57.1	Low	79 Å²	79	77.7 Å²	77.7	42%	0.422	40%	0.395	S	S	.	.	H	α-helix	trans	-72.3	-34.1	178.7	-67	-21.5	0	0	0	113.2	E324 E325 N330 N331 S332	E324-N328 VanDerWaalsContact O-CG 3.24Å; E324-N328 PolarHBondContact O-N 2.86Å; E324-N328 PolarHBondContact O-ND2 3.38Å; E325-N328 PolarHBondContact O-N 3.03Å; N328-N330 VanDerWaalsContact C-N 3.27Å; N328-N330 PolarHBondContact O-N 2.92Å; N328-N331 CarbonylContact O-C 3.59Å; N328-N331 WeakPolarHBondContact O-CA 3.43Å; N328-N331 WeakPolarHBondContact O-CB 3.49Å; N328-N331 PolarHBondContact O-N 3.03Å; N328-S332 PolarHBondContact O-N 3.49Å; N328-S332 VanDerWaalsContact O-N 3.13Å
329	S	49.3	Very low	55.2	Low	18 Å²	18	82.6 Å²	82.6	13%	0.126	42%	0.421	C	S	.	.	H	α-helix	trans	-70.3	-23	-176.8	-64.3	0	0	0	0	113.5	S253 E325 S332	S253-S329 VanDerWaalsContact CB-OG 3.25Å; S253-S329 WeakPolarHBondContact CB-OG 3.49Å; S253-S329 WeakPolarHBondContact OG-CB 3.18Å; S253-S329 PolarHBondContact OG-OG 3.01Å; E325-S329 WeakPolarHBondContact O-CB 3.28Å; E325-S329 PolarHBondContact O-N 2.85Å; E325-S329 PolarHBondContact O-OG 3.29Å; S329-S332 PolarHBondContact O-OG 3.24Å
330	N	46	Very low	53.7	Low	84 Å²	84	84 Å²	84	45%	0.449	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-5.7	169.8	-69.2	-34.4	0	0	0	112.9	S326 N328 K573	S326-N330 PolarHBondContact O-ND2 3.39Å; N328-N330 VanDerWaalsContact C-N 3.27Å; N328-N330 PolarHBondContact O-N 2.92Å; N330-K573 PolarHBondContact O-NZ 3.45Å
331	N	36.7	Very low	52.8	Low	65 Å²	65	78.5 Å²	78.5	35%	0.348	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-12.6	-179.6	-68.1	-23.4	0	0	0	113.7	L327 N328 L333	L327-N331 PolarHBondContact O-ND2 3.41Å; N328-N331 CarbonylContact O-C 3.59Å; N328-N331 WeakPolarHBondContact O-CA 3.43Å; N328-N331 WeakPolarHBondContact O-CB 3.49Å; N328-N331 PolarHBondContact O-N 3.03Å; N331-L333 PolarHBondContact O-N 3.31Å
332	S	35.3	Very low	52	Low	73 Å²	73	75.5 Å²	75.5	51%	0.51	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	10.4	-177.7	59.7	0	0	0	0	115.3	N328 S329 E334	N328-S332 PolarHBondContact O-N 3.49Å; N328-S332 VanDerWaalsContact O-N 3.13Å; S329-S332 PolarHBondContact O-OG 3.24Å; S332-E334 VanDerWaalsContact C-N 3.28Å
333	L	40.2	Very low	51.3	Low	94 Å²	94	81.4 Å²	81.4	49%	0.492	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-1.8	174.9	-135.2	89.7	0	0	0	113.8	N331	N331-L333 PolarHBondContact O-N 3.31Å
334	E	30.4	Very low	51.4	Low	123 Å²	123	79.6 Å²	79.6	58%	0.575	42%	0.415	S	S	*	.	S	Bend	trans	-137.8	142.2	177.2	-64.5	-176.6	163.3	0	0	110	S332 T338	S332-E334 VanDerWaalsContact C-N 3.28Å; E334-T338 HydrophobicContact CB-CG2 4.25Å; E334-T338 VanDerWaalsContact CB-OG1 3.28Å; E334-T338 WeakPolarHBondContact CB-OG1 3.32Å
335	D	30.7	Very low	51.7	Low	128 Å²	128	79.2 Å²	79.2	68%	0.684	41%	0.414	S	S	*	.			trans	-43.6	151.5	-172.4	-77.7	-51.6	0	0	0	114.2	T337 T338	D335-T337 WeakPolarHBondContact CB-OG1 3.44Å; D335-T337 PolarHBondContact O-N 2.93Å; D335-T338 HydrophobicContact CB-CG2 4.46Å; D335-T338 PolarHBondContact O-N 2.75Å; D335-T338 PolarHBondContact O-OG1 2.89Å
336	K	35	Very low	52.1	Low	230 Å²	230	80.4 Å²	80.4	100%	1	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	24.8	172	-69.4	-178.8	175.7	178.6	0	114.1
337	T	38.3	Very low	52.9	Low	125 Å²	125	81.9 Å²	81.9	77%	0.767	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.8	-0.6	175.1	53.5	0	0	0	0	112.7	D335	D335-T337 WeakPolarHBondContact CB-OG1 3.44Å; D335-T337 PolarHBondContact O-N 2.93Å
338	T	34.1	Very low	54	Low	65 Å²	65	78.8 Å²	78.8	40%	0.399	41%	0.411	S	S	.	.	S	Bend	trans	-106.9	100.6	-171.7	58.4	0	0	0	0	114.8	E334 D335	E334-T338 HydrophobicContact CB-CG2 4.25Å; E334-T338 VanDerWaalsContact CB-OG1 3.28Å; E334-T338 WeakPolarHBondContact CB-OG1 3.32Å; D335-T338 HydrophobicContact CB-CG2 4.46Å; D335-T338 PolarHBondContact O-N 2.75Å; D335-T338 PolarHBondContact O-OG1 2.89Å
339	N	48	Very low	55.3	Low	110 Å²	110	75.5 Å²	75.5	59%	0.588	39%	0.393	S	S	*	.			trans	47.1	97.6	147.3	-126.7	-7.1	0	0	0	119.4	S341 N342	N339-S341 PolarHBondContact O-N 3.21Å; N339-S341 PolarHBondContact OD1-OG 2.86Å; N339-N342 PolarHBondContact O-N 2.89Å
340	D	54.7	Low	57.1	Low	88 Å²	88	74.9 Å²	74.9	47%	0.471	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-48.7	-15.7	166.4	-165.1	25.7	0	0	0	113.9	N342 R343 K369	D340-N342 VanDerWaalsContact C-N 3.27Å; D340-N342 PolarHBondContact O-N 3.41Å; D340-R343 PolarHBondContact O-N 3.38Å; D340-K369 HydrophobicContact CB-CD 4.24Å; D340-K369 IonicContact OD2-NZ 2.94Å; D340-K369 PolarHBondContact OD2-NZ 2.91Å
341	S	61.3	Low	59.2	Low	15 Å²	15	70.9 Å²	70.9	11%	0.105	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-58.7	-24.3	176.7	-54.6	0	0	0	0	115.6	N339 R343	N339-S341 PolarHBondContact O-N 3.21Å; N339-S341 PolarHBondContact OD1-OG 2.86Å; S341-R343 VanDerWaalsContact C-N 3.3Å; S341-R343 PolarHBondContact O-N 2.62Å
342	N	65.3	Low	61.8	Low	38 Å²	38	68.4 Å²	68.4	20%	0.203	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-80.7	-4.9	-179.1	-78.6	-13.4	0	0	0	114.4	N339 D340 R570 Y574	N339-N342 PolarHBondContact O-N 2.89Å; D340-N342 VanDerWaalsContact C-N 3.27Å; D340-N342 PolarHBondContact O-N 3.41Å; N342-R570 PolarHBondContact OD1-NE 2.66Å; N342-R570 PolarHBondContact OD1-NH2 2.87Å; N342-Y574 PolarHBondContact O-OH 3.33Å
343	R	70.5	Confident	64.4	Low	124 Å²	124	65.6 Å²	65.6	47%	0.468	33%	0.332	S	S	.	.	S	Bend	trans	-82.3	123.6	-178	-177.9	177	172.4	143.4	1	111.2	D340 S341 I345 F368	D340-R343 PolarHBondContact O-N 3.38Å; S341-R343 VanDerWaalsContact C-N 3.3Å; S341-R343 PolarHBondContact O-N 2.62Å; R343-I345 PolarHBondContact O-N 3.18Å; R343-F368 WeakPolarHBondContact O-CD1 3.48Å
344	L	77.4	Confident	66.6	Low	26 Å²	26	62.2 Å²	62.2	14%	0.136	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	128.1	169.5	-173.1	71.2	0	0	0	109.9	H347 F366 L367 F368 Y574 M577	L344-H347 HydrophobicContact CD2-CB 4.23Å; L344-F366 HydrophobicContact CD1-CB 3.84Å; L344-F366 HydrophobicContact CD1-CD1 3.92Å; L344-F366 HydrophobicContact CD1-CG 4.39Å; L344-F366 HydrophobicContact CD2-CD1 4.39Å; L344-L367 WeakPolarHBondContact CD1-O 3.43Å; L344-F368 HydrophobicContact CB-CD1 4.35Å; L344-F368 HydrophobicContact CB-CE1 3.84Å; L344-F368 HydrophobicContact CB-CZ 4.21Å; L344-F368 HydrophobicContact CD1-CD1 4.46Å; L344-F368 HydrophobicContact CD1-CD2 4.19Å; L344-F368 HydrophobicContact CD1-CE1 4Å; L344-F368 HydrophobicContact CD1-CE2 3.7Å; L344-F368 HydrophobicContact CD1-CZ 3.6Å; L344-F368 HydrophobicContact CG-CZ 4.5Å; L344-Y574 HydrophobicContact CB-CD1 4.5Å; L344-Y574 HydrophobicContact CB-CE1 3.82Å; L344-Y574 HydrophobicContact CB-CE2 4.32Å; L344-Y574 HydrophobicContact CD2-CD1 3.85Å; L344-Y574 HydrophobicContact CD2-CE1 3.95Å; L344-Y574 HydrophobicContact CD2-CG 4.31Å; L344-M577 HydrophobicContact CD2-CE 4.5Å; L344-M577 HydrophobicContact CD2-SD 4.01Å
345	I	81.2	Confident	68.7	Low	45 Å²	45	60.1 Å²	60.1	23%	0.231	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-47.8	-179.7	-63.3	175.8	0	0	0	110	F111 R343 L367 K369 L526	F111-I345 HydrophobicContact CD2-CG2 4.45Å; R343-I345 PolarHBondContact O-N 3.18Å; I345-L367 HydrophobicContact CB-CD2 4.49Å; I345-L367 HydrophobicContact CB-CG 4.26Å; I345-L367 WeakPolarHBondContact CB-O 3.39Å; I345-L367 HydrophobicContact CG2-CD2 4.24Å; I345-L367 PolarHBondContact N-O 2.98Å; I345-K369 HydrophobicContact CD1-CB 3.99Å; I345-L526 HydrophobicContact CD1-CD1 3.54Å; I345-L526 HydrophobicContact CD1-CD2 3.74Å; I345-L526 HydrophobicContact CD1-CG 4.2Å
346	M	80.2	Confident	70.8	Confident	48 Å²	48	63.3 Å²	63.3	24%	0.236	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	150.7	-175.8	-163.4	177.9	-165.7	0	0	110.3	L367 H518 W519 A522	M346-L367 HydrophobicContact CB-CB 4.08Å; M346-L367 HydrophobicContact CB-CD2 4.22Å; M346-L367 PolarHBondContact N-O 3.19Å; M346-L367 PolarHBondContact O-N 2.73Å; M346-H518 HydrophobicContact CE-CB 3.82Å; M346-W519 HydrophobicContact CB-CH2 4.29Å; M346-W519 HydrophobicContact CB-CZ3 4.41Å; M346-W519 HydrophobicContact CE-CD2 4.23Å; M346-W519 HydrophobicContact CE-CG 4.19Å; M346-W519 HydrophobicContact CG-CH2 4.12Å; M346-W519 HydrophobicContact CG-CZ2 4.06Å; M346-W519 HydrophobicContact CG-CZ3 4.42Å; M346-W519 HydrophobicContact SD-CD2 3.68Å; M346-W519 HydrophobicContact SD-CE3 3.89Å; M346-W519 HydrophobicContact SD-CG 4.09Å; M346-W519 HydrophobicContact SD-CH2 4.4Å; M346-W519 HydrophobicContact SD-CZ2 4.22Å; M346-W519 HydrophobicContact SD-CZ3 4.26Å; M346-A522 HydrophobicContact SD-CB 4.11Å
347	H	84.8	Confident	72.7	Confident	53 Å²	53	56.7 Å²	56.7	25%	0.245	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	153.5	170.5	69	93.2	0	0	0	111	L344 L365 F366 M577	L344-H347 HydrophobicContact CD2-CB 4.23Å; H347-L365 CarbonylContact C-O 3.58Å; H347-L365 WeakPolarHBondContact CA-O 3.4Å; H347-L365 VanDerWaalsContact CB-O 3.31Å; H347-L365 WeakPolarHBondContact CB-O 3.34Å; H347-F366 HydrophobicContact CB-CD1 3.85Å; H347-F366 HydrophobicContact CB-CE1 4.29Å; H347-M577 WeakPolarHBondContact NE2-CE 3.12Å
348	S	80	Confident	74.7	Confident	24 Å²	24	56.4 Å²	56.4	17%	0.168	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	163.6	169.4	80.3	0	0	0	0	112	V350 Y364 L365 W519	S348-V350 WeakPolarHBondContact OG-CG1 3.42Å; S348-Y364 WeakPolarHBondContact O-CA 3.5Å; S348-L365 PolarHBondContact N-O 2.85Å; S348-L365 PolarHBondContact O-N 3.08Å; S348-W519 WeakPolarHBondContact OG-CZ2 3.48Å; S348-W519 PolarHBondContact OG-NE1 3.26Å
349	L	82.5	Confident	77.1	Confident	10 Å²	10	55.1 Å²	55.1	5%	0.052	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.2	166.1	-179.1	82.7	0	0	0	108.7	L362 R363 Y364 L580 N581	L349-L362 HydrophobicContact CD1-CD1 4Å; L349-L362 HydrophobicContact CD1-CD2 3.92Å; L349-L362 HydrophobicContact CD1-CG 3.67Å; L349-L362 HydrophobicContact CD2-CD1 3.94Å; L349-L362 HydrophobicContact CD2-CD2 4.13Å; L349-L362 HydrophobicContact CD2-CG 4.28Å; L349-L362 HydrophobicContact CG-CD1 3.81Å; L349-L362 HydrophobicContact CG-CD2 4.4Å; L349-L362 HydrophobicContact CG-CG 4.06Å; L349-R363 CarbonylContact C-O 3.49Å; L349-R363 WeakPolarHBondContact CA-O 3.25Å; L349-Y364 HydrophobicContact CB-CE1 4.05Å; L349-Y364 HydrophobicContact CD1-CD2 3.68Å; L349-Y364 HydrophobicContact CD1-CE1 4.1Å; L349-Y364 HydrophobicContact CD1-CE2 3.12Å; L349-Y364 HydrophobicContact CD1-CG 4.33Å; L349-Y364 HydrophobicContact CG-CE2 4.4Å; L349-L580 HydrophobicContact CD2-CD2 4.13Å; L349-N581 HydrophobicContact CB-CB 3.98Å; L349-N581 HydrophobicContact CD2-CB 4.16Å; L349-N581 VanDerWaalsContact CD2-N 3.32Å; L349-N581 HydrophobicContact CG-CB 4.49Å; L349-N581 PolarHBondContact O-ND2 3.13Å
350	V	86.8	Confident	79.1	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.024	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	167.7	-175.2	-58.5	0	0	0	0	111.2	S348 R363 L365 I508 L510	S348-V350 WeakPolarHBondContact OG-CG1 3.42Å; V350-R363 HydrophobicContact CG2-CB 4.06Å; V350-R363 PolarHBondContact N-O 2.85Å; V350-R363 PolarHBondContact O-N 3.38Å; V350-L365 HydrophobicContact CG1-CB 4.47Å; V350-L365 HydrophobicContact CG2-CB 4.13Å; V350-I508 HydrophobicContact CB-CG2 3.86Å; V350-I508 HydrophobicContact CG1-CG2 4.01Å; V350-I508 HydrophobicContact CG2-CG2 3.89Å; V350-L510 HydrophobicContact CB-CD2 4.49Å; V350-L510 HydrophobicContact CG1-CD2 3.7Å
351	V	89.2	Confident	80.8	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	120.9	170.3	-179.5	0	0	0	0	108.7	R360 L362 L489 P492 L509	V351-R360 HydrophobicContact CG1-CB 3.67Å; V351-R360 HydrophobicContact CG1-CG 4.07Å; V351-L362 HydrophobicContact CG2-CD1 4.16Å; V351-L489 HydrophobicContact CG1-CD2 4.36Å; V351-L489 HydrophobicContact CG2-CD2 4.31Å; V351-P492 HydrophobicContact CB-CG 4.45Å; V351-P492 HydrophobicContact CG2-CG 3.91Å; V351-L509 HydrophobicContact CB-CB 4.08Å; V351-L509 HydrophobicContact CB-CD1 4.34Å; V351-L509 HydrophobicContact CG1-CD1 3.9Å; V351-L509 PolarHBondContact N-O 3.13Å; V351-L509 WeakPolarHBondContact O-CA 3.43Å; V351-L509 VanDerWaalsContact O-CB 3.23Å; V351-L509 WeakPolarHBondContact O-CB 3.32Å; V351-L509 PolarHBondContact O-N 3.17Å
352	E	91.8	Very high	82	Confident	12 Å²	12	53 Å²	53	6%	0.056	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	126	171.1	174.2	-172.6	-152.3	0	0	109.4	T354 R360 K361 R363 W418	E352-T354 PolarHBondContact O-N 2.7Å; E352-R360 CarbonylContact O-C 3.53Å; E352-R360 WeakPolarHBondContact O-CA 3.39Å; E352-K361 PolarHBondContact N-O 2.81Å; E352-K361 PolarHBondContact O-N 3.38Å; E352-R363 HydrophobicContact CB-CG 3.71Å; E352-R363 IonicContact OE2-CZ 3.94Å; E352-R363 VanDerWaalsContact OE2-CZ 3.28Å; E352-R363 IonicContact OE2-NE 3.69Å; E352-R363 PolarHBondContact OE2-NE 2.87Å; E352-R363 IonicContact OE2-NH2 3.81Å; E352-R363 PolarHBondContact OE2-NH2 3.25Å; E352-W418 PolarHBondContact OE1-NE1 2.88Å
353	L	90.9	Very high	83.2	Confident	14 Å²	14	52 Å²	52	7%	0.073	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	103.9	167	-172.2	65.8	0	0	0	108.7	S355 N358 R360 N507 L509	L353-S355 PolarHBondContact O-N 2.94Å; L353-N358 WeakPolarHBondContact CD1-OD1 3.38Å; L353-R360 HydrophobicContact CD1-CG 3.93Å; L353-N507 HydrophobicContact CB-CB 3.95Å; L353-N507 PolarHBondContact N-O 3.28Å; L353-L509 HydrophobicContact CB-CD1 4Å; L353-L509 HydrophobicContact CB-CG 4.18Å
354	T	85.7	Confident	84	Confident	24 Å²	24	46.5 Å²	46.5	15%	0.147	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	115.4	-173.7	-14.7	0	0	0	0	110.4	E352 K356 T357 N358 S359 K361	E352-T354 PolarHBondContact O-N 2.7Å; T354-K356 PolarHBondContact O-N 3.16Å; T354-K356 VanDerWaalsContact O-N 3.08Å; T354-T357 PolarHBondContact O-N 3.34Å; T354-N358 VanDerWaalsContact O-CA 3.32Å; T354-N358 WeakPolarHBondContact O-CA 3.44Å; T354-N358 PolarHBondContact O-N 3.42Å; T354-S359 PolarHBondContact N-O 3.25Å; T354-S359 PolarHBondContact OG1-O 3.09Å; T354-S359 PolarHBondContact OG1-OG 3.18Å; T354-K361 PolarHBondContact OG1-NZ 2.96Å; T354-K361 VanDerWaalsContact OG1-NZ 3.14Å
355	S	74.6	Confident	84.6	Confident	78 Å²	78	45.3 Å²	45.3	55%	0.545	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.7	-174.1	-48.2	0	0	0	0	114.4	L353 I505	L353-S355 PolarHBondContact O-N 2.94Å; S355-I505 PolarHBondContact OG-O 3.18Å
356	K	74.2	Confident	85	Confident	196 Å²	196	43.1 Å²	43.1	85%	0.852	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-33.7	-179.1	-64.3	-174.8	179.3	-177	0	114.6	T354	T354-K356 PolarHBondContact O-N 3.16Å; T354-K356 VanDerWaalsContact O-N 3.08Å
357	T	75.9	Confident	85.5	Confident	90 Å²	90	40.9 Å²	40.9	55%	0.552	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.3	-2.7	-169.7	50.2	0	0	0	0	112.6	T354 S359	T354-T357 PolarHBondContact O-N 3.34Å; T357-S359 PolarHBondContact O-N 3.08Å; T357-S359 WeakPolarHBondContact OG1-CB 3.26Å; T357-S359 PolarHBondContact OG1-OG 2.93Å
358	N	79	Confident	85.7	Confident	120 Å²	120	38.3 Å²	38.3	64%	0.642	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.3	25.6	-168	-152.5	23	0	0	0	113.3	L353 T354	L353-N358 WeakPolarHBondContact CD1-OD1 3.38Å; T354-N358 VanDerWaalsContact O-CA 3.32Å; T354-N358 WeakPolarHBondContact O-CA 3.44Å; T354-N358 PolarHBondContact O-N 3.42Å
359	S	86.1	Confident	86	Confident	38 Å²	38	40.8 Å²	40.8	27%	0.266	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	132.8	-176.2	66.4	0	0	0	0	110	T354 T357 K361	T354-S359 PolarHBondContact N-O 3.25Å; T354-S359 PolarHBondContact OG1-O 3.09Å; T354-S359 PolarHBondContact OG1-OG 3.18Å; T357-S359 PolarHBondContact O-N 3.08Å; T357-S359 WeakPolarHBondContact OG1-CB 3.26Å; T357-S359 PolarHBondContact OG1-OG 2.93Å; S359-K361 VanDerWaalsContact OG-CE 3.27Å; S359-K361 WeakPolarHBondContact OG-CE 3.28Å; S359-K361 PolarHBondContact OG-NZ 3.2Å
360	R	89.9	Confident	86.1	Confident	32 Å²	32	42.2 Å²	42.2	12%	0.121	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	128.2	173.1	-69.8	161.8	177.5	-99.3	3.5	110.2	V351 E352 L353 L489 E490 P492 L509	V351-R360 HydrophobicContact CG1-CB 3.67Å; V351-R360 HydrophobicContact CG1-CG 4.07Å; E352-R360 CarbonylContact O-C 3.53Å; E352-R360 WeakPolarHBondContact O-CA 3.39Å; L353-R360 HydrophobicContact CD1-CG 3.93Å; R360-L489 HydrophobicContact CB-CB 4.38Å; R360-L489 WeakPolarHBondContact CD-O 3.39Å; R360-L489 PolarHBondContact NH1-O 2.88Å; R360-E490 VanDerWaalsContact CD-CD 3.43Å; R360-E490 WeakPolarHBondContact CD-OE1 3.46Å; R360-E490 WeakPolarHBondContact CD-OE2 3.49Å; R360-E490 IonicContact CZ-OE2 3.33Å; R360-E490 IonicContact NE-OE1 3.57Å; R360-E490 IonicContact NE-OE2 3.62Å; R360-E490 PolarHBondContact NE-OE2 3.17Å; R360-E490 PolarHBondContact NH1-O 3.36Å; R360-E490 IonicContact NH2-OE2 2.66Å; R360-P492 PolarHBondContact NH1-O 3.48Å; R360-L509 HydrophobicContact CG-CD1 4.12Å
361	K	89.5	Confident	86.3	Confident	74 Å²	74	42 Å²	42	32%	0.322	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.7	-179.2	-66.6	-177.7	-177	139.1	0	110.7	E352 T354 S359	E352-K361 PolarHBondContact N-O 2.81Å; E352-K361 PolarHBondContact O-N 3.38Å; T354-K361 PolarHBondContact OG1-NZ 2.96Å; T354-K361 VanDerWaalsContact OG1-NZ 3.14Å; S359-K361 VanDerWaalsContact OG-CE 3.27Å; S359-K361 WeakPolarHBondContact OG-CE 3.28Å; S359-K361 PolarHBondContact OG-NZ 3.2Å
362	L	87.6	Confident	86.5	Confident	63 Å²	63	42 Å²	42	33%	0.33	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	134.5	175.5	-159.8	70.1	0	0	0	111.4	L349 V351 V488 L489	L349-L362 HydrophobicContact CD1-CD1 4Å; L349-L362 HydrophobicContact CD1-CD2 3.92Å; L349-L362 HydrophobicContact CD1-CG 3.67Å; L349-L362 HydrophobicContact CD2-CD1 3.94Å; L349-L362 HydrophobicContact CD2-CD2 4.13Å; L349-L362 HydrophobicContact CD2-CG 4.28Å; L349-L362 HydrophobicContact CG-CD1 3.81Å; L349-L362 HydrophobicContact CG-CD2 4.4Å; L349-L362 HydrophobicContact CG-CG 4.06Å; V351-L362 HydrophobicContact CG2-CD1 4.16Å; L362-V488 HydrophobicContact CD1-CG1 4.21Å; L362-L489 HydrophobicContact CB-CD2 3.99Å; L362-L489 HydrophobicContact CD1-CD2 4.49Å
363	R	88.7	Confident	86.5	Confident	16 Å²	16	41.4 Å²	41.4	6%	0.06	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	153.3	-174.8	-66.2	-63.5	-176.2	-107.2	-5.7	111.9	L349 V350 E352 C374 A375	L349-R363 CarbonylContact C-O 3.49Å; L349-R363 WeakPolarHBondContact CA-O 3.25Å; V350-R363 HydrophobicContact CG2-CB 4.06Å; V350-R363 PolarHBondContact N-O 2.85Å; V350-R363 PolarHBondContact O-N 3.38Å; E352-R363 HydrophobicContact CB-CG 3.71Å; E352-R363 IonicContact OE2-CZ 3.94Å; E352-R363 VanDerWaalsContact OE2-CZ 3.28Å; E352-R363 IonicContact OE2-NE 3.69Å; E352-R363 PolarHBondContact OE2-NE 2.87Å; E352-R363 IonicContact OE2-NH2 3.81Å; E352-R363 PolarHBondContact OE2-NH2 3.25Å; R363-C374 VanDerWaalsContact CD-SG 3.53Å; R363-C374 WeakPolarHBondContact CG-SG 3.27Å; R363-A375 CarbonylContact C-O 3.6Å; R363-A375 WeakPolarHBondContact CA-O 3.47Å
364	Y	88.2	Confident	86.6	Confident	9 Å²	9	40.8 Å²	40.8	4%	0.035	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.1	162.1	-81	-93.2	0	0	0	109.5	S348 L349 F366 C374 A375 I377 V578 K579	S348-Y364 WeakPolarHBondContact O-CA 3.5Å; L349-Y364 HydrophobicContact CB-CE1 4.05Å; L349-Y364 HydrophobicContact CD1-CD2 3.68Å; L349-Y364 HydrophobicContact CD1-CE1 4.1Å; L349-Y364 HydrophobicContact CD1-CE2 3.12Å; L349-Y364 HydrophobicContact CD1-CG 4.33Å; L349-Y364 HydrophobicContact CG-CE2 4.4Å; Y364-F366 VanDerWaalsContact CB-CE2 3.47Å; Y364-F366 HydrophobicContact CD1-CZ 4.38Å; Y364-F366 HydrophobicContact CG-CE2 4.41Å; Y364-F366 HydrophobicContact CG-CZ 4.41Å; Y364-C374 CarbonylContact O-C 3.59Å; Y364-C374 WeakPolarHBondContact O-CA 3.36Å; Y364-A375 PolarHBondContact N-O 3.46Å; Y364-A375 PolarHBondContact O-N 2.85Å; Y364-I377 HydrophobicContact CD2-CD1 4.24Å; Y364-I377 HydrophobicContact CD2-CG1 3.93Å; Y364-I377 HydrophobicContact CE2-CD1 3.5Å; Y364-I377 HydrophobicContact CE2-CG1 3.72Å; Y364-V578 HydrophobicContact CD1-CG2 4.5Å; Y364-V578 HydrophobicContact CD2-CG1 4.39Å; Y364-V578 HydrophobicContact CE1-CB 4.17Å; Y364-V578 HydrophobicContact CE1-CG1 4.01Å; Y364-V578 HydrophobicContact CE1-CG2 4.27Å; Y364-V578 HydrophobicContact CE2-CB 4.49Å; Y364-V578 HydrophobicContact CE2-CG1 3.55Å; Y364-V578 WeakPolarHBondContact OH-CG1 3.47Å; Y364-K579 VanDerWaalsContact OH-C 3.29Å; Y364-K579 PolarHBondContact OH-N 2.92Å; Y364-K579 PolarHBondContact OH-O 3.14Å
365	L	90.5	Very high	86.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	132.6	174.1	-163.5	65	0	0	0	108.6	H347 S348 V350 L372 I373 C374 W418 I508 W519	H347-L365 CarbonylContact C-O 3.58Å; H347-L365 WeakPolarHBondContact CA-O 3.4Å; H347-L365 VanDerWaalsContact CB-O 3.31Å; H347-L365 WeakPolarHBondContact CB-O 3.34Å; S348-L365 PolarHBondContact N-O 2.85Å; S348-L365 PolarHBondContact O-N 3.08Å; V350-L365 HydrophobicContact CG1-CB 4.47Å; V350-L365 HydrophobicContact CG2-CB 4.13Å; L365-L372 HydrophobicContact CD1-CD1 3.67Å; L365-L372 HydrophobicContact CD1-CD2 4.23Å; L365-L372 HydrophobicContact CD1-CG 3.88Å; L365-L372 HydrophobicContact CD2-CD1 4.1Å; L365-L372 HydrophobicContact CG-CD1 3.68Å; L365-L372 HydrophobicContact CG-CG 4.44Å; L365-I373 CarbonylContact C-O 3.59Å; L365-I373 WeakPolarHBondContact CA-O 3.48Å; L365-C374 HydrophobicContact CD1-CB 4.23Å; L365-W418 HydrophobicContact CD1-CH2 3.75Å; L365-W418 HydrophobicContact CD1-CZ2 4.47Å; L365-W418 HydrophobicContact CD1-CZ3 4.33Å; L365-I508 HydrophobicContact CD1-CD1 4.32Å; L365-I508 HydrophobicContact CD2-CD1 3.72Å; L365-I508 HydrophobicContact CD2-CG2 4.38Å; L365-W519 HydrophobicContact CB-CH2 3.83Å; L365-W519 HydrophobicContact CB-CZ2 4.13Å; L365-W519 HydrophobicContact CD2-CD2 4.16Å; L365-W519 HydrophobicContact CD2-CE3 3.79Å; L365-W519 HydrophobicContact CD2-CH2 3.52Å; L365-W519 HydrophobicContact CD2-CZ2 3.89Å; L365-W519 HydrophobicContact CD2-CZ3 3.44Å; L365-W519 VanDerWaalsContact CD2-CZ3 3.44Å; L365-W519 HydrophobicContact CG-CH2 3.62Å; L365-W519 HydrophobicContact CG-CZ2 4.26Å; L365-W519 HydrophobicContact CG-CZ3 3.81Å
366	F	89.8	Confident	87.4	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	121.7	177.1	-60	-92	0	0	0	108.9	L344 H347 Y364 F368 I373 A375 L414 L571	L344-F366 HydrophobicContact CD1-CB 3.84Å; L344-F366 HydrophobicContact CD1-CD1 3.92Å; L344-F366 HydrophobicContact CD1-CG 4.39Å; L344-F366 HydrophobicContact CD2-CD1 4.39Å; H347-F366 HydrophobicContact CB-CD1 3.85Å; H347-F366 HydrophobicContact CB-CE1 4.29Å; Y364-F366 VanDerWaalsContact CB-CE2 3.47Å; Y364-F366 HydrophobicContact CD1-CZ 4.38Å; Y364-F366 HydrophobicContact CG-CE2 4.41Å; Y364-F366 HydrophobicContact CG-CZ 4.41Å; F366-F368 HydrophobicContact CB-CD2 4.36Å; F366-F368 HydrophobicContact CB-CE2 3.75Å; F366-I373 HydrophobicContact CB-CB 4.41Å; F366-I373 PolarHBondContact N-O 3.3Å; F366-I373 PolarHBondContact O-N 3.5Å; F366-A375 HydrophobicContact CE2-CB 4.24Å; F366-L414 HydrophobicContact CE2-CD1 4.33Å; F366-L414 HydrophobicContact CZ-CD1 4.05Å; F366-L571 HydrophobicContact CB-CD2 4.37Å; F366-L571 HydrophobicContact CD1-CD2 4.31Å; F366-L571 HydrophobicContact CD2-CD2 3.58Å; F366-L571 HydrophobicContact CE2-CD2 3.81Å; F366-L571 HydrophobicContact CG-CD2 3.84Å; F366-L571 HydrophobicContact CZ-CD2 4.29Å
367	L	90.4	Very high	87.6	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.4	175.7	179.9	59.6	0	0	0	109.7	L344 I345 M346 L372 M422 W519 A522 L523 L526	L344-L367 WeakPolarHBondContact CD1-O 3.43Å; I345-L367 HydrophobicContact CB-CD2 4.49Å; I345-L367 HydrophobicContact CB-CG 4.26Å; I345-L367 WeakPolarHBondContact CB-O 3.39Å; I345-L367 HydrophobicContact CG2-CD2 4.24Å; I345-L367 PolarHBondContact N-O 2.98Å; M346-L367 HydrophobicContact CB-CB 4.08Å; M346-L367 HydrophobicContact CB-CD2 4.22Å; M346-L367 PolarHBondContact N-O 3.19Å; M346-L367 PolarHBondContact O-N 2.73Å; L367-L372 HydrophobicContact CB-CD1 4.14Å; L367-L372 HydrophobicContact CD1-CB 4.41Å; L367-L372 HydrophobicContact CD1-CD1 4.09Å; L367-M422 HydrophobicContact CD1-SD 3.9Å; L367-W519 HydrophobicContact CB-CH2 4.46Å; L367-W519 HydrophobicContact CB-CZ3 3.92Å; L367-W519 HydrophobicContact CD2-CZ3 4.5Å; L367-A522 HydrophobicContact CD2-CB 3.87Å; L367-L523 HydrophobicContact CD1-CD2 3.65Å; L367-L523 HydrophobicContact CD2-CD2 4.12Å; L367-L526 HydrophobicContact CD1-CD1 3.79Å; L367-L526 HydrophobicContact CD2-CD1 3.88Å; L367-L526 HydrophobicContact CG-CD1 3.9Å
368	F	88.4	Confident	87.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	170	167.3	-65	-93.8	0	0	0	108.8	R343 L344 F366 D370 V371 I373 Y574	R343-F368 WeakPolarHBondContact O-CD1 3.48Å; L344-F368 HydrophobicContact CB-CD1 4.35Å; L344-F368 HydrophobicContact CB-CE1 3.84Å; L344-F368 HydrophobicContact CB-CZ 4.21Å; L344-F368 HydrophobicContact CD1-CD1 4.46Å; L344-F368 HydrophobicContact CD1-CD2 4.19Å; L344-F368 HydrophobicContact CD1-CE1 4Å; L344-F368 HydrophobicContact CD1-CE2 3.7Å; L344-F368 HydrophobicContact CD1-CZ 3.6Å; L344-F368 HydrophobicContact CG-CZ 4.5Å; F366-F368 HydrophobicContact CB-CD2 4.36Å; F366-F368 HydrophobicContact CB-CE2 3.75Å; F368-D370 PolarHBondContact O-N 3.08Å; F368-V371 HydrophobicContact CB-CG1 4.03Å; F368-V371 WeakPolarHBondContact CB-O 3.35Å; F368-V371 HydrophobicContact CD2-CG1 4.21Å; F368-V371 HydrophobicContact CG-CG1 4.41Å; F368-V371 PolarHBondContact N-O 3.12Å; F368-I373 HydrophobicContact CD2-CD1 3.65Å; F368-I373 HydrophobicContact CE2-CD1 3.59Å; F368-Y574 HydrophobicContact CE1-CD2 4.36Å; F368-Y574 AromaticContact CE1-CE2 3.62Å; F368-Y574 HydrophobicContact CE1-CE2 3.62Å; F368-Y574 AromaticContact CZ-CD2 3.91Å; F368-Y574 HydrophobicContact CZ-CD2 3.91Å; F368-Y574 AromaticContact CZ-CE2 3.64Å; F368-Y574 HydrophobicContact CZ-CE2 3.64Å
369	K	85.9	Confident	86.8	Confident	75 Å²	75	31.1 Å²	31.1	33%	0.326	15%	0.145	S	C	.	.	S	Bend	trans	-62	-29.7	-179.8	-170.1	-176.6	177.9	-178.4	0	113.1	D340 I345 M422 L526	D340-K369 HydrophobicContact CB-CD 4.24Å; D340-K369 IonicContact OD2-NZ 2.94Å; D340-K369 PolarHBondContact OD2-NZ 2.91Å; I345-K369 HydrophobicContact CD1-CB 3.99Å; K369-M422 WeakPolarHBondContact O-CG 3.42Å; K369-L526 HydrophobicContact CG-CD2 4.09Å
370	D	85.8	Confident	85.4	Confident	40 Å²	40	32.7 Å²	32.7	21%	0.214	15%	0.153	C	C	.	.	S	Bend	trans	-110.1	-14.7	-174.6	64.3	-23.1	0	0	0	114.1	F368 P421 M422 R570	F368-D370 PolarHBondContact O-N 3.08Å; D370-P421 CarbonylContact O-C 3.57Å; D370-P421 WeakPolarHBondContact O-CA 3.46Å; D370-M422 VanDerWaalsContact C-CG 3.48Å; D370-M422 PolarHBondContact O-N 3.43Å; D370-R570 VanDerWaalsContact CG-NH1 3.32Å; D370-R570 IonicContact OD1-CZ 2.96Å; D370-R570 IonicContact OD1-NH1 3.94Å; D370-R570 PolarHBondContact OD1-NH1 2.81Å; D370-R570 IonicContact OD2-CZ 3.37Å; D370-R570 IonicContact OD2-NH1 3.94Å; D370-R570 PolarHBondContact OD2-NH1 3.47Å; D370-R570 IonicContact OD2-NH2 2.75Å; D370-R570 PolarHBondContact OD2-NH2 3.38Å
371	V	90.4	Very high	83.2	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	141.4	-174.4	68	0	0	0	0	113	F368 I373 F419 I567	F368-V371 HydrophobicContact CB-CG1 4.03Å; F368-V371 WeakPolarHBondContact CB-O 3.35Å; F368-V371 HydrophobicContact CD2-CG1 4.21Å; F368-V371 HydrophobicContact CG-CG1 4.41Å; F368-V371 PolarHBondContact N-O 3.12Å; V371-I373 HydrophobicContact CG1-CD1 3.78Å; V371-I373 HydrophobicContact CG1-CG1 3.9Å; V371-I373 HydrophobicContact CG2-CG1 3.92Å; V371-F419 HydrophobicContact CG2-CB 3.93Å; V371-F419 HydrophobicContact CG2-CD2 3.9Å; V371-F419 HydrophobicContact CG2-CG 4.37Å; V371-I567 HydrophobicContact CG2-CD1 4.38Å
372	L	93	Very high	81.1	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.9	164.5	-179.7	68.7	0	0	0	109.6	L365 L367 W418 F419 I420 M425 V498 W519 L523	L365-L372 HydrophobicContact CD1-CD1 3.67Å; L365-L372 HydrophobicContact CD1-CD2 4.23Å; L365-L372 HydrophobicContact CD1-CG 3.88Å; L365-L372 HydrophobicContact CD2-CD1 4.1Å; L365-L372 HydrophobicContact CG-CD1 3.68Å; L365-L372 HydrophobicContact CG-CG 4.44Å; L367-L372 HydrophobicContact CB-CD1 4.14Å; L367-L372 HydrophobicContact CD1-CB 4.41Å; L367-L372 HydrophobicContact CD1-CD1 4.09Å; L372-W418 HydrophobicContact CD2-CH2 4.28Å; L372-W418 HydrophobicContact CD2-CZ3 4.1Å; L372-W418 HydrophobicContact CG-CZ3 4.21Å; L372-F419 CarbonylContact O-C 3.56Å; L372-F419 WeakPolarHBondContact O-CA 3.22Å; L372-I420 PolarHBondContact N-O 2.97Å; L372-I420 PolarHBondContact O-N 2.99Å; L372-M425 HydrophobicContact CB-CE 3.4Å; L372-M425 VanDerWaalsContact CB-CE 3.4Å; L372-M425 HydrophobicContact CD2-CE 3.51Å; L372-M425 HydrophobicContact CD2-SD 4.48Å; L372-M425 HydrophobicContact CG-CE 4.09Å; L372-V498 HydrophobicContact CD2-CG1 4.35Å; L372-W519 HydrophobicContact CD1-CZ3 4.03Å; L372-L523 HydrophobicContact CD1-CD2 4.48Å; L372-L523 HydrophobicContact CD2-CD2 4.33Å
373	I	92.3	Very high	79.1	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.2	-174.3	-55.6	154.7	0	0	0	110.2	L365 F366 F368 V371 I416 F419 I567 L571	L365-I373 CarbonylContact C-O 3.59Å; L365-I373 WeakPolarHBondContact CA-O 3.48Å; F366-I373 HydrophobicContact CB-CB 4.41Å; F366-I373 PolarHBondContact N-O 3.3Å; F366-I373 PolarHBondContact O-N 3.5Å; F368-I373 HydrophobicContact CD2-CD1 3.65Å; F368-I373 HydrophobicContact CE2-CD1 3.59Å; V371-I373 HydrophobicContact CG1-CD1 3.78Å; V371-I373 HydrophobicContact CG1-CG1 3.9Å; V371-I373 HydrophobicContact CG2-CG1 3.92Å; I373-I416 HydrophobicContact CG2-CG1 4.33Å; I373-I416 HydrophobicContact CG2-CG2 4.26Å; I373-F419 HydrophobicContact CB-CB 4.46Å; I373-F419 HydrophobicContact CG1-CB 4.06Å; I373-F419 HydrophobicContact CG2-CB 4.48Å; I373-I567 HydrophobicContact CD1-CG2 3.46Å; I373-I567 VanDerWaalsContact CD1-CG2 3.46Å; I373-I567 HydrophobicContact CG1-CG2 3.78Å; I373-I567 HydrophobicContact CG2-CG2 4.13Å; I373-L571 HydrophobicContact CD1-CD2 4.34Å; I373-L571 HydrophobicContact CG2-CD1 3.93Å; I373-L571 HydrophobicContact CG2-CD2 4.36Å; I373-L571 HydrophobicContact CG2-CG 4.47Å
374	C	92.2	Very high	76.8	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.2	172.6	-179.2	0	0	0	0	110.4	R363 Y364 L365 K417 W418	R363-C374 VanDerWaalsContact CD-SG 3.53Å; R363-C374 WeakPolarHBondContact CG-SG 3.27Å; Y364-C374 CarbonylContact O-C 3.59Å; Y364-C374 WeakPolarHBondContact O-CA 3.36Å; L365-C374 HydrophobicContact CD1-CB 4.23Å; C374-K417 PolarHBondContact O-N 2.86Å; C374-W418 HydrophobicContact CB-CD2 3.36Å; C374-W418 HydrophobicContact CB-CE3 3.65Å; C374-W418 HydrophobicContact CB-CG 4.01Å; C374-W418 HydrophobicContact CB-CH2 3.61Å; C374-W418 HydrophobicContact CB-CZ2 3.32Å; C374-W418 HydrophobicContact CB-CZ3 3.77Å; C374-W418 PolarHBondContact N-O 3.5Å; C374-W418 PolarHBondContact O-N 3.07Å; C374-W418 VanDerWaalsContact SG-CE2 3.55Å
375	A	90.3	Very high	74.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	155.5	-176.7	0	0	0	0	0	112.7	R363 Y364 F366 L414 E415 L571	R363-A375 CarbonylContact C-O 3.6Å; R363-A375 WeakPolarHBondContact CA-O 3.47Å; Y364-A375 PolarHBondContact N-O 3.46Å; Y364-A375 PolarHBondContact O-N 2.85Å; F366-A375 HydrophobicContact CE2-CB 4.24Å; A375-L414 HydrophobicContact CB-CB 4.37Å; A375-L414 HydrophobicContact CB-CD2 4.42Å; A375-E415 CarbonylContact C-O 3.57Å; A375-E415 WeakPolarHBondContact CA-O 3.3Å; A375-L571 HydrophobicContact CB-CD1 4.18Å
376	K	87.3	Confident	72	Confident	87 Å²	87	61.2 Å²	61.2	38%	0.378	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.2	173.9	180	-170.5	173	-173.2	0	109.2	K378 E415 K417	K376-K378 PolarHBondContact O-N 2.89Å; K376-E415 PolarHBondContact N-O 3.01Å; K376-E415 PolarHBondContact O-N 3.15Å; K376-K417 HydrophobicContact CB-CG 4.13Å
377	I	78.8	Confident	69.6	Low	33 Å²	33	63.3 Å²	63.3	17%	0.169	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	127.5	168	-52.2	171.7	0	0	0	109.5	Y364 F379 Y412 L414 V578	Y364-I377 HydrophobicContact CD2-CD1 4.24Å; Y364-I377 HydrophobicContact CD2-CG1 3.93Å; Y364-I377 HydrophobicContact CE2-CD1 3.5Å; Y364-I377 HydrophobicContact CE2-CG1 3.72Å; I377-F379 HydrophobicContact CB-CE2 4.41Å; I377-F379 HydrophobicContact CG2-CD2 4.15Å; I377-F379 HydrophobicContact CG2-CE2 3.77Å; I377-F379 HydrophobicContact CG2-CZ 4.01Å; I377-Y412 HydrophobicContact CG2-CD2 3.9Å; I377-Y412 HydrophobicContact CG2-CG 4.05Å; I377-L414 HydrophobicContact CG1-CD2 4.25Å; I377-V578 HydrophobicContact CD1-CG1 3.22Å; I377-V578 HydrophobicContact CG1-CG1 3.84Å
378	K	73.9	Confident	67.2	Low	114 Å²	114	68.2 Å²	68.2	50%	0.496	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.2	169.9	-169.4	179.5	179.8	-175.1	0	109.3	K376 Y412 E413	K376-K378 PolarHBondContact O-N 2.89Å; K378-Y412 CarbonylContact O-C 3.53Å; K378-Y412 WeakPolarHBondContact O-CA 3.2Å; K378-Y412 WeakPolarHBondContact O-CB 3.39Å; K378-E413 PolarHBondContact N-O 2.9Å; K378-E413 PolarHBondContact O-N 3.15Å
379	F	62.8	Low	64.7	Low	71 Å²	71	73.3 Å²	73.3	31%	0.311	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	135.4	175	-66	-93.9	0	0	0	110.3	I377 R384 I387	I377-F379 HydrophobicContact CB-CE2 4.41Å; I377-F379 HydrophobicContact CG2-CD2 4.15Å; I377-F379 HydrophobicContact CG2-CE2 3.77Å; I377-F379 HydrophobicContact CG2-CZ 4.01Å; F379-R384 HydrophobicContact CB-CG 4.31Å; F379-I387 HydrophobicContact CD1-CD1 4.24Å; F379-I387 HydrophobicContact CE1-CB 3.82Å; F379-I387 HydrophobicContact CE1-CD1 3.26Å; F379-I387 HydrophobicContact CE1-CG1 3.59Å; F379-I387 HydrophobicContact CZ-CB 3.99Å; F379-I387 HydrophobicContact CZ-CD1 3.8Å; F379-I387 HydrophobicContact CZ-CG1 4.19Å; F379-I387 HydrophobicContact CZ-CG2 4.46Å
380	T	57.4	Low	62.2	Low	71 Å²	71	73.7 Å²	73.7	44%	0.436	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-74.2	142.4	170.1	-26.8	0	0	0	0	108.2	G382 S383 S411	T380-G382 PolarHBondContact O-N 2.75Å; T380-S383 PolarHBondContact O-N 3.42Å; T380-S383 PolarHBondContact O-OG 2.96Å; T380-S411 WeakPolarHBondContact CB-O 3.4Å; T380-S411 PolarHBondContact N-O 3.42Å; T380-S411 VanDerWaalsContact OG1-C 3.25Å; T380-S411 PolarHBondContact OG1-O 3.21Å
381	M	43.7	Very low	59.8	Low	162 Å²	162	75.1 Å²	75.1	80%	0.798	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	128	-178.1	-69.1	-77.5	-92.9	0	0	110.4
382	G	46	Very low	57	Low	82 Å²	82	76.4 Å²	76.4	85%	0.845	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.9	-14.5	-174.9	0	0	0	0	0	115	T380	T380-G382 PolarHBondContact O-N 2.75Å
383	S	45.9	Very low	54.1	Low	23 Å²	23	80.4 Å²	80.4	16%	0.161	41%	0.409	C	S	.	.			trans	-119	4.1	-168	-41.2	0	0	0	0	114.6	T380 Q385 S411	T380-S383 PolarHBondContact O-N 3.42Å; T380-S383 PolarHBondContact O-OG 2.96Å; S383-Q385 PolarHBondContact O-N 3.21Å; S383-S411 WeakPolarHBondContact CB-OG 3.38Å; S383-S411 WeakPolarHBondContact OG-CB 3.47Å; S383-S411 PolarHBondContact OG-OG 2.93Å
384	R	39.7	Very low	51.2	Low	191 Å²	191	86.3 Å²	86.3	72%	0.721	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-12.6	-174.4	-93.9	-179.5	166.8	148.6	-3.8	114.5	F379	F379-R384 HydrophobicContact CB-CG 4.31Å
385	Q	39.7	Very low	48.1	Very low	175 Å²	175	88.3 Å²	88.3	82%	0.818	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	6.5	-169.2	-85.2	177.7	-29.3	0	0	115.4	S383	S383-Q385 PolarHBondContact O-N 3.21Å
386	R	37.5	Very low	45.3	Very low	161 Å²	161	94.6 Å²	94.6	61%	0.608	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	-22.9	-170	-70.3	-168.3	-163.3	163.2	5.4	118.1	L388 H389 D390	R386-L388 VanDerWaalsContact C-N 3.28Å; R386-L388 PolarHBondContact O-N 2.96Å; R386-H389 PolarHBondContact O-N 2.8Å; R386-H389 VanDerWaalsContact O-N 3.11Å; R386-D390 WeakPolarHBondContact CB-OD2 3.49Å; R386-D390 VanDerWaalsContact O-CB 3.24Å; R386-D390 WeakPolarHBondContact O-CB 3.5Å; R386-D390 PolarHBondContact O-N 3.02Å
387	I	39.8	Very low	42.4	Very low	44 Å²	44	95.9 Å²	95.9	23%	0.226	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-16.4	-178.9	-64.1	-171.9	0	0	0	113.5	F379 N391 Y412	F379-I387 HydrophobicContact CD1-CD1 4.24Å; F379-I387 HydrophobicContact CE1-CB 3.82Å; F379-I387 HydrophobicContact CE1-CD1 3.26Å; F379-I387 HydrophobicContact CE1-CG1 3.59Å; F379-I387 HydrophobicContact CZ-CB 3.99Å; F379-I387 HydrophobicContact CZ-CD1 3.8Å; F379-I387 HydrophobicContact CZ-CG1 4.19Å; F379-I387 HydrophobicContact CZ-CG2 4.46Å; I387-N391 PolarHBondContact O-ND2 3.03Å; I387-Y412 HydrophobicContact CD1-CD1 3.49Å; I387-Y412 VanDerWaalsContact CD1-CD1 3.49Å; I387-Y412 HydrophobicContact CD1-CE1 3.68Å; I387-Y412 HydrophobicContact CD1-CG 4.2Å
388	L	39.9	Very low	40	Very low	103 Å²	103	101.5 Å²	101.5	54%	0.539	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-12.9	170.6	-66.7	170.1	0	0	0	113	R386 I588	R386-L388 VanDerWaalsContact C-N 3.28Å; R386-L388 PolarHBondContact O-N 2.96Å; L388-I588 HydrophobicContact CD2-CD1 3.78Å; L388-I588 HydrophobicContact CD2-CG2 4.4Å
389	H	36.3	Very low	37.8	Very low	107 Å²	107	106.3 Å²	106.3	50%	0.495	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-117.4	-23.7	-175.8	-113.1	-67.1	0	0	0	113.6	R386 N391 S392	R386-H389 PolarHBondContact O-N 2.8Å; R386-H389 VanDerWaalsContact O-N 3.11Å; H389-N391 VanDerWaalsContact C-N 3.33Å; H389-S392 PolarHBondContact O-N 3.05Å; H389-S392 PolarHBondContact O-OG 2.76Å
390	D	34	Very low	36	Very low	82 Å²	82	114.2 Å²	114.2	44%	0.439	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.5	-3.2	-179.5	-72.8	-6.6	0	0	0	112.7	R386 S393	R386-D390 WeakPolarHBondContact CB-OD2 3.49Å; R386-D390 VanDerWaalsContact O-CB 3.24Å; R386-D390 WeakPolarHBondContact O-CB 3.5Å; R386-D390 PolarHBondContact O-N 3.02Å; D390-S393 PolarHBondContact O-OG 3.47Å
391	N	34.7	Very low	34.6	Very low	71 Å²	71	121.7 Å²	121.7	38%	0.38	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.8	-12.9	168.8	-69.6	-24.2	0	0	0	112.3	I387 H389 S393	I387-N391 PolarHBondContact O-ND2 3.03Å; H389-N391 VanDerWaalsContact C-N 3.33Å; N391-S393 VanDerWaalsContact C-N 3.29Å
392	S	32.5	Very low	33.7	Very low	27 Å²	27	122.9 Å²	122.9	19%	0.189	60%	0.6	C	S	.	*	S	Bend	trans	-91.9	22.6	172.8	80.8	0	0	0	0	112.3	H389	H389-S392 PolarHBondContact O-N 3.05Å; H389-S392 PolarHBondContact O-OG 2.76Å
393	S	32.5	Very low	32.8	Very low	83 Å²	83	130 Å²	130	58%	0.58	60%	0.601	S	S	*	*	S	Bend	trans	-112.5	21.1	177.8	74.5	0	0	0	0	113.1	D390 N391	D390-S393 PolarHBondContact O-OG 3.47Å; N391-S393 VanDerWaalsContact C-N 3.29Å
394	L	30.2	Very low	31.9	Very low	124 Å²	124	134.9 Å²	134.9	65%	0.649	64%	0.635	S	S	*	*	S	Bend	trans	-110	0.1	163.3	-97.8	103.6	0	0	0	113.8
395	G	28	Very low	31.2	Very low	43 Å²	43	128.7 Å²	128.7	44%	0.443	63%	0.631	S	S	.	*	S	Bend	trans	-123.2	146.7	156.5	0	0	0	0	0	107.8
396	E	30	Very low	30.5	Very low	132 Å²	132	130.4 Å²	130.4	62%	0.617	64%	0.636	S	S	*	*			trans	79.5	81.7	-177.8	-50.7	-170.1	128	0	0	117.8	R398 K590	E396-R398 PolarHBondContact O-N 2.88Å; E396-K590 IonicContact OE2-NZ 3.15Å
397	S	27.1	Very low	30	Very low	115 Å²	115	130.3 Å²	130.3	80%	0.804	65%	0.646	S	S	*	*			trans	-67.8	77	147.7	-68.9	0	0	0	0	110.2
398	R	27.8	Very low	29.6	Very low	150 Å²	150	132.1 Å²	132.1	57%	0.566	66%	0.663	S	S	*	*			trans	-155.5	45.9	169.7	-118	-175	-88.9	-157.6	3.6	116.3	S125 E396	S125-R398 PolarHBondContact OG-NH1 3.41Å; S125-R398 VanDerWaalsContact OG-NH1 3.08Å; S125-R398 PolarHBondContact OG-NH2 3.47Å; S125-R398 VanDerWaalsContact OG-NH2 3.16Å; E396-R398 PolarHBondContact O-N 2.88Å
399	F	28.6	Very low	29.3	Very low	215 Å²	215	132.6 Å²	132.6	94%	0.943	68%	0.681	S	S	*	*			trans	-145.3	83	154.7	-101.4	-81.6	0	0	0	112.9	R401	F399-R401 PolarHBondContact O-N 3.09Å
400	R	24.1	Very low	29.4	Very low	237 Å²	237	130.8 Å²	130.8	89%	0.894	68%	0.681	S	S	*	*			trans	-66.6	120.9	155.8	-101.7	-176.7	173.4	-178.7	0.6	108.5
401	R	28.1	Very low	30.3	Very low	229 Å²	229	128.6 Å²	128.6	86%	0.864	67%	0.672	S	S	*	*				172.1	123.4	120.3	-92.4	164	-168.8	170.7	6.2	112.9	F399	F399-R401 PolarHBondContact O-N 3.09Å
402	K	26.4	Very low	31.6	Very low	186 Å²	186	127.2 Å²	127.2	81%	0.809	66%	0.662	S	S	*	*			trans	86	122.3	143.1	-70.5	177.8	175.9	177	0	119.3
403	R	27.3	Very low	33.4	Very low	231 Å²	231	131.6 Å²	131.6	87%	0.872	68%	0.679	S	S	*	*			trans	91.3	88.2	155.7	-68.5	-179.7	167.2	146.7	-3.6	117.4	G405	R403-G405 PolarHBondContact O-N 2.89Å; R403-G405 VanDerWaalsContact O-N 3.16Å
404	S	25.4	Very low	35.6	Very low	127 Å²	127	128.8 Å²	128.8	89%	0.888	66%	0.658	S	S	*	*				7.5	94.8	126.5	58.7	0	0	0	0	115.3
405	G	25.7	Very low	38.3	Very low	61 Å²	61	126.4 Å²	126.4	63%	0.629	64%	0.643	S	S	*	*			trans	-154	116.7	168.1	0	0	0	0	0	107.7	R403 L407	R403-G405 PolarHBondContact O-N 2.89Å; R403-G405 VanDerWaalsContact O-N 3.16Å; G405-L407 PolarHBondContact O-N 3.36Å
406	K	25.3	Very low	41.3	Very low	211 Å²	211	126 Å²	126	92%	0.917	63%	0.63	S	S	*	*			trans	-39.6	112	171.2	-86.9	167.1	165.6	170.9	0	110.5	S408	K406-S408 VanDerWaalsContact C-N 3.29Å; K406-S408 PolarHBondContact O-N 3.02Å
407	L	26.5	Very low	44.1	Very low	159 Å²	159	123.4 Å²	123.4	83%	0.832	62%	0.617	S	S	*	*			trans	-71.5	90.6	161.9	-79.6	148.7	0	0	0	106.8	G405	G405-L407 PolarHBondContact O-N 3.36Å
408	S	31.6	Very low	47.2	Very low	82 Å²	82	119.2 Å²	119.2	57%	0.573	58%	0.584	S	S	*	*			trans	-73.4	140.7	172.3	59.5	0	0	0	0	109.8	K406 S410	K406-S408 VanDerWaalsContact C-N 3.29Å; K406-S408 PolarHBondContact O-N 3.02Å; S408-S410 PolarHBondContact O-N 2.95Å; S408-S410 PolarHBondContact OG-OG 2.79Å
409	A	33.5	Very low	50.3	Low	112 Å²	112	115.3 Å²	115.3	93%	0.926	57%	0.571	S	S	*	*	S	Bend	trans	-64.6	34.6	177.5	0	0	0	0	0	115.4
410	S	37.8	Very low	53.2	Low	69 Å²	69	105.1 Å²	105.1	48%	0.483	53%	0.526	S	S	.	.			trans	-115.9	125.2	-177.4	52.2	0	0	0	0	108	S408	S408-S410 PolarHBondContact O-N 2.95Å; S408-S410 PolarHBondContact OG-OG 2.79Å
411	S	52.5	Low	56.4	Low	36 Å²	36	95 Å²	95	25%	0.252	49%	0.491	S	S	.	.	S	Bend		175.1	38.6	92.2	42.5	0	0	0	0	115	T380 S383	T380-S411 WeakPolarHBondContact CB-O 3.4Å; T380-S411 PolarHBondContact N-O 3.42Å; T380-S411 VanDerWaalsContact OG1-C 3.25Å; T380-S411 PolarHBondContact OG1-O 3.21Å; S383-S411 WeakPolarHBondContact CB-OG 3.38Å; S383-S411 WeakPolarHBondContact OG-CB 3.47Å; S383-S411 PolarHBondContact OG-OG 2.93Å
412	Y	62	Low	59.2	Low	42 Å²	42	84.7 Å²	84.7	17%	0.165	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	165	164.3	61.8	-87.9	0	0	0	111.8	I377 K378 I387 K575 V578	I377-Y412 HydrophobicContact CG2-CD2 3.9Å; I377-Y412 HydrophobicContact CG2-CG 4.05Å; K378-Y412 CarbonylContact O-C 3.53Å; K378-Y412 WeakPolarHBondContact O-CA 3.2Å; K378-Y412 WeakPolarHBondContact O-CB 3.39Å; I387-Y412 HydrophobicContact CD1-CD1 3.49Å; I387-Y412 VanDerWaalsContact CD1-CD1 3.49Å; I387-Y412 HydrophobicContact CD1-CE1 3.68Å; I387-Y412 HydrophobicContact CD1-CG 4.2Å; Y412-K575 HydrophobicContact CD2-CG 4.25Å; Y412-K575 HydrophobicContact CE2-CD 4.44Å; Y412-K575 HydrophobicContact CE2-CG 3.58Å; Y412-K575 WeakPolarHBondContact O-CE 3.45Å; Y412-K575 PolarHBondContact O-NZ 3.39Å; Y412-K575 PolarHBondContact OH-O 3.05Å; Y412-V578 HydrophobicContact CE2-CB 4.38Å; Y412-V578 HydrophobicContact CE2-CG1 4.49Å; Y412-V578 HydrophobicContact CE2-CG2 4.22Å
413	E	71.3	Confident	62	Low	119 Å²	119	83.9 Å²	83.9	56%	0.556	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	152	176.2	-67	-178.2	159.8	0	0	109.1	K378	K378-E413 PolarHBondContact N-O 2.9Å; K378-E413 PolarHBondContact O-N 3.15Å
414	L	79.4	Confident	64.8	Low	25 Å²	25	75.7 Å²	75.7	13%	0.131	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	114.2	171.6	-70.3	173.2	0	0	0	108.7	F366 A375 I377 L571 V578	F366-L414 HydrophobicContact CE2-CD1 4.33Å; F366-L414 HydrophobicContact CZ-CD1 4.05Å; A375-L414 HydrophobicContact CB-CB 4.37Å; A375-L414 HydrophobicContact CB-CD2 4.42Å; I377-L414 HydrophobicContact CG1-CD2 4.25Å; L414-L571 HydrophobicContact CB-CD1 4.49Å; L414-L571 HydrophobicContact CD1-CB 4.34Å; L414-V578 HydrophobicContact CD2-CG2 4.24Å
415	E	85.7	Confident	67.8	Low	74 Å²	74	70.4 Å²	70.4	35%	0.346	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113.1	176.7	-172.3	-164	169.1	0	0	109	A375 K376 K417	A375-E415 CarbonylContact C-O 3.57Å; A375-E415 WeakPolarHBondContact CA-O 3.3Å; K376-E415 PolarHBondContact N-O 3.01Å; K376-E415 PolarHBondContact O-N 3.15Å; E415-K417 PolarHBondContact O-N 3.31Å; E415-K417 IonicContact OE1-NZ 2.79Å; E415-K417 PolarHBondContact OE1-NZ 3.28Å; E415-K417 IonicContact OE2-NZ 3.98Å; E415-K417 PolarHBondContact OE2-NZ 2.77Å
416	I	90.5	Very high	70.8	Confident	33 Å²	33	70.1 Å²	70.1	17%	0.169	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	133.3	177.1	-60	163.8	0	0	0	109.4	I373 F419 I564 I567 L571	I373-I416 HydrophobicContact CG2-CG1 4.33Å; I373-I416 HydrophobicContact CG2-CG2 4.26Å; I416-F419 HydrophobicContact CG2-CD1 4.29Å; I416-I564 HydrophobicContact CD1-CG1 4.37Å; I416-I567 HydrophobicContact CD1-CB 4.18Å; I416-I567 HydrophobicContact CD1-CG2 3.62Å; I416-L571 HydrophobicContact CD1-CD1 4.02Å; I416-L571 HydrophobicContact CG1-CD1 3.51Å
417	K	90.4	Very high	73.8	Confident	79 Å²	79	61.6 Å²	61.6	34%	0.343	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-39.4	175.9	-67.9	-61.4	176	-163.6	0	112.7	C374 K376 E415	C374-K417 PolarHBondContact O-N 2.86Å; K376-K417 HydrophobicContact CB-CG 4.13Å; E415-K417 PolarHBondContact O-N 3.31Å; E415-K417 IonicContact OE1-NZ 2.79Å; E415-K417 PolarHBondContact OE1-NZ 3.28Å; E415-K417 IonicContact OE2-NZ 3.98Å; E415-K417 PolarHBondContact OE2-NZ 2.77Å
418	W	91.5	Very high	76.6	Confident	26 Å²	26	57 Å²	57	10%	0.098	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	161	170.1	49.2	-100.1	0	0	0	108.5	E352 L365 L372 C374 I420 H506 I508	E352-W418 PolarHBondContact OE1-NE1 2.88Å; L365-W418 HydrophobicContact CD1-CH2 3.75Å; L365-W418 HydrophobicContact CD1-CZ2 4.47Å; L365-W418 HydrophobicContact CD1-CZ3 4.33Å; L372-W418 HydrophobicContact CD2-CH2 4.28Å; L372-W418 HydrophobicContact CD2-CZ3 4.1Å; L372-W418 HydrophobicContact CG-CZ3 4.21Å; C374-W418 HydrophobicContact CB-CD2 3.36Å; C374-W418 HydrophobicContact CB-CE3 3.65Å; C374-W418 HydrophobicContact CB-CG 4.01Å; C374-W418 HydrophobicContact CB-CH2 3.61Å; C374-W418 HydrophobicContact CB-CZ2 3.32Å; C374-W418 HydrophobicContact CB-CZ3 3.77Å; C374-W418 PolarHBondContact N-O 3.5Å; C374-W418 PolarHBondContact O-N 3.07Å; C374-W418 VanDerWaalsContact SG-CE2 3.55Å; W418-I420 HydrophobicContact CE3-CD1 4.15Å; W418-I420 HydrophobicContact CE3-CG1 3.94Å; W418-I420 HydrophobicContact CZ3-CD1 3.96Å; W418-I420 HydrophobicContact CZ3-CG1 4.08Å; W418-H506 AromaticContact CD1-CE1 3.5Å; W418-H506 VanDerWaalsContact CD1-CE1 3.5Å; W418-H506 AromaticContact CD1-ND1 3.37Å; W418-H506 AromaticContact CD2-CE1 3.71Å; W418-H506 AromaticContact CD2-ND1 3.55Å; W418-H506 AromaticContact CE2-CE1 3.97Å; W418-H506 AromaticContact CE2-CG 3.77Å; W418-H506 AromaticContact CE2-ND1 3.33Å; W418-H506 VanDerWaalsContact CE2-ND1 3.33Å; W418-H506 AromaticContact CG-CE1 3.4Å; W418-H506 VanDerWaalsContact CG-CE1 3.4Å; W418-H506 AromaticContact CG-ND1 3.58Å; W418-H506 HydrophobicContact CH2-CB 4.2Å; W418-H506 HydrophobicContact CZ2-CB 3.8Å; W418-H506 AromaticContact CZ2-ND1 3.99Å; W418-H506 AromaticContact NE1-CE1 3.82Å; W418-H506 AromaticContact NE1-ND1 3.19Å; W418-H506 PolarHBondContact NE1-ND1 3.47Å; W418-H506 VanDerWaalsContact NE1-ND1 3.19Å; W418-I508 HydrophobicContact CH2-CD1 4.24Å
419	F	92	Very high	79.1	Confident	68 Å²	68	57.9 Å²	57.9	30%	0.298	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	148.2	169.6	65.5	-87.7	0	0	0	107.8	V371 L372 I373 I416 P421 I564 I567	V371-F419 HydrophobicContact CG2-CB 3.93Å; V371-F419 HydrophobicContact CG2-CD2 3.9Å; V371-F419 HydrophobicContact CG2-CG 4.37Å; L372-F419 CarbonylContact O-C 3.56Å; L372-F419 WeakPolarHBondContact O-CA 3.22Å; I373-F419 HydrophobicContact CB-CB 4.46Å; I373-F419 HydrophobicContact CG1-CB 4.06Å; I373-F419 HydrophobicContact CG2-CB 4.48Å; I416-F419 HydrophobicContact CG2-CD1 4.29Å; F419-P421 HydrophobicContact CD2-CG 4.48Å; F419-P421 HydrophobicContact CE2-CG 4.41Å; F419-I564 HydrophobicContact CE1-CG1 4.42Å; F419-I567 HydrophobicContact CB-CD1 4.23Å; F419-I567 HydrophobicContact CD1-CD1 3.89Å; F419-I567 HydrophobicContact CD2-CD1 3.39Å; F419-I567 HydrophobicContact CE1-CD1 4.07Å; F419-I567 HydrophobicContact CE2-CD1 3.59Å; F419-I567 HydrophobicContact CG-CD1 3.56Å; F419-I567 HydrophobicContact CZ-CD1 3.92Å
420	I	91.4	Very high	81.5	Confident	1 Å²	1	55 Å²	55	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	112	179.9	-51.4	174.4	0	0	0	106.5	L372 W418 M425 V498 D500	L372-I420 PolarHBondContact N-O 2.97Å; L372-I420 PolarHBondContact O-N 2.99Å; W418-I420 HydrophobicContact CE3-CD1 4.15Å; W418-I420 HydrophobicContact CE3-CG1 3.94Å; W418-I420 HydrophobicContact CZ3-CD1 3.96Å; W418-I420 HydrophobicContact CZ3-CG1 4.08Å; I420-M425 HydrophobicContact CB-CE 3.97Å; I420-M425 HydrophobicContact CG2-CB 3.74Å; I420-M425 HydrophobicContact CG2-CE 4.07Å; I420-M425 HydrophobicContact CG2-CG 4.24Å; I420-V498 HydrophobicContact CD1-CG1 3.72Å; I420-D500 HydrophobicContact CD1-CB 4.23Å; I420-D500 HydrophobicContact CG1-CB 4.19Å; I420-D500 HydrophobicContact CG2-CB 4.21Å
421	P	89.9	Confident	83.4	Confident	24 Å²	24	54 Å²	54	16%	0.156	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	141	168.2	-23	34.1	0	0	0	110.1	D370 F419 E423 E424 M425	D370-P421 CarbonylContact O-C 3.57Å; D370-P421 WeakPolarHBondContact O-CA 3.46Å; F419-P421 HydrophobicContact CD2-CG 4.48Å; F419-P421 HydrophobicContact CE2-CG 4.41Å; P421-E423 PolarHBondContact O-N 3.49Å; P421-E424 HydrophobicContact CB-CB 4.34Å; P421-E424 HydrophobicContact CB-CG 4.18Å; P421-E424 HydrophobicContact CG-CG 4.35Å; P421-E424 PolarHBondContact O-N 2.84Å; P421-M425 PolarHBondContact O-N 2.89Å
422	M	87.8	Confident	84.8	Confident	13 Å²	13	58.6 Å²	58.6	6%	0.064	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-59	-34.3	-175.4	-68.6	-52.5	-57.1	0	0	112.5	L367 K369 D370 E424 M425 L523 L526 L527	L367-M422 HydrophobicContact CD1-SD 3.9Å; K369-M422 WeakPolarHBondContact O-CG 3.42Å; D370-M422 VanDerWaalsContact C-CG 3.48Å; D370-M422 PolarHBondContact O-N 3.43Å; M422-E424 PolarHBondContact O-N 2.77Å; M422-M425 HydrophobicContact CE-CE 4.32Å; M422-M425 HydrophobicContact CE-SD 4.07Å; M422-M425 PolarHBondContact O-N 2.68Å; M422-M425 HydrophobicContact SD-CE 3.88Å; M422-M425 HydrophobicContact SD-SD 4.41Å; M422-L523 HydrophobicContact CE-CD2 4.2Å; M422-L526 HydrophobicContact CE-CB 3.72Å; M422-L526 HydrophobicContact CE-CD1 4.38Å; M422-L527 HydrophobicContact CE-CD2 3.89Å; M422-L527 HydrophobicContact CE-CG 3.9Å; M422-L527 WeakPolarHBondContact O-CD2 3.27Å
423	E	83.8	Confident	85.4	Confident	169 Å²	169	57.6 Å²	57.6	79%	0.79	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-65.6	-19.7	176.5	-60.1	174.6	-166.4	0	0	113.6	P421	P421-E423 PolarHBondContact O-N 3.49Å
424	E	87.5	Confident	85.2	Confident	59 Å²	59	52.9 Å²	52.9	28%	0.276	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-105.8	7	-175.6	-64.2	-175.3	177.5	0	0	112.4	P421 M422 D500 K501	P421-E424 HydrophobicContact CB-CB 4.34Å; P421-E424 HydrophobicContact CB-CG 4.18Å; P421-E424 HydrophobicContact CG-CG 4.35Å; P421-E424 PolarHBondContact O-N 2.84Å; M422-E424 PolarHBondContact O-N 2.77Å; E424-D500 CarbonylContact O-C 3.59Å; E424-D500 VanDerWaalsContact O-C 3.29Å; E424-D500 WeakPolarHBondContact O-CA 3.31Å; E424-K501 HydrophobicContact CB-CB 3.93Å; E424-K501 HydrophobicContact CB-CG 4.19Å; E424-K501 HydrophobicContact CG-CB 4.21Å; E424-K501 HydrophobicContact CG-CD 4.05Å; E424-K501 HydrophobicContact CG-CG 4.29Å; E424-K501 PolarHBondContact O-N 2.9Å; E424-K501 IonicContact OE1-NZ 3.99Å; E424-K501 PolarHBondContact OE1-NZ 2.81Å; E424-K501 WeakPolarHBondContact OE2-CD 3.27Å; E424-K501 WeakPolarHBondContact OE2-CE 3.45Å; E424-K501 WeakPolarHBondContact OE2-CG 3.35Å; E424-K501 IonicContact OE2-NZ 3.87Å; E424-K501 PolarHBondContact OE2-NZ 3.2Å
425	M	88.7	Confident	84.4	Confident	17 Å²	17	57.6 Å²	57.6	8%	0.084	31%	0.31	C	S	.	.			trans	-100.9	140.7	-173.2	-175.5	-177.3	-63.3	0	0	111.6	L372 I420 P421 M422 L427 V498 A499 L523 L527	L372-M425 HydrophobicContact CB-CE 3.4Å; L372-M425 VanDerWaalsContact CB-CE 3.4Å; L372-M425 HydrophobicContact CD2-CE 3.51Å; L372-M425 HydrophobicContact CD2-SD 4.48Å; L372-M425 HydrophobicContact CG-CE 4.09Å; I420-M425 HydrophobicContact CB-CE 3.97Å; I420-M425 HydrophobicContact CG2-CB 3.74Å; I420-M425 HydrophobicContact CG2-CE 4.07Å; I420-M425 HydrophobicContact CG2-CG 4.24Å; P421-M425 PolarHBondContact O-N 2.89Å; M422-M425 HydrophobicContact CE-CE 4.32Å; M422-M425 HydrophobicContact CE-SD 4.07Å; M422-M425 PolarHBondContact O-N 2.68Å; M422-M425 HydrophobicContact SD-CE 3.88Å; M422-M425 HydrophobicContact SD-SD 4.41Å; M425-L427 HydrophobicContact SD-CD2 4.48Å; M425-V498 HydrophobicContact CE-CG1 3.94Å; M425-V498 HydrophobicContact CG-CG1 3.46Å; M425-V498 VanDerWaalsContact CG-CG1 3.46Å; M425-V498 HydrophobicContact SD-CG1 3.6Å; M425-A499 WeakPolarHBondContact CA-O 3.39Å; M425-L523 HydrophobicContact CE-CD2 4.22Å; M425-L523 HydrophobicContact SD-CD2 3.85Å; M425-L527 HydrophobicContact CB-CD2 4.17Å; M425-L527 HydrophobicContact SD-CD1 4.5Å
426	S	88.6	Confident	83.5	Confident	55 Å²	55	57.8 Å²	57.8	39%	0.385	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	140	164.4	55.6	0	0	0	0	111	A499	S426-A499 PolarHBondContact N-O 2.83Å; S426-A499 PolarHBondContact O-N 2.8Å; S426-A499 WeakPolarHBondContact OG-CB 3.31Å
427	L	87.6	Confident	82.1	Confident	32 Å²	32	59.8 Å²	59.8	17%	0.168	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.4	175.8	-65.8	174.1	0	0	0	109.4	M425 V498 L523 E524 L527	M425-L427 HydrophobicContact SD-CD2 4.48Å; L427-V498 HydrophobicContact CD2-CG2 4.1Å; L427-L523 HydrophobicContact CD1-CB 3.87Å; L427-L523 HydrophobicContact CD2-CB 4.12Å; L427-L523 HydrophobicContact CD2-CD1 3.79Å; L427-L523 HydrophobicContact CG-CB 4.5Å; L427-E524 HydrophobicContact CD1-CG 3.46Å; L427-E524 VanDerWaalsContact CD1-CG 3.46Å; L427-L527 HydrophobicContact CD1-CD1 3.73Å; L427-L527 HydrophobicContact CG-CD1 3.77Å
428	L	86.2	Confident	81	Confident	62 Å²	62	65.9 Å²	65.9	33%	0.325	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-90.8	170.3	175.4	-61.5	176.4	0	0	0	110.4	N430 P497 A499 I505 R520	L428-N430 PolarHBondContact O-N 2.73Å; L428-P497 HydrophobicContact CB-CB 3.98Å; L428-P497 HydrophobicContact CB-CG 3.75Å; L428-P497 HydrophobicContact CD1-CB 4.38Å; L428-P497 PolarHBondContact N-O 2.86Å; L428-P497 VanDerWaalsContact N-O 3.15Å; L428-A499 HydrophobicContact CD1-CB 4.16Å; L428-A499 HydrophobicContact CG-CB 4.33Å; L428-I505 HydrophobicContact CD1-CD1 3.63Å; L428-I505 HydrophobicContact CD1-CG1 3.81Å; L428-I505 HydrophobicContact CD1-CG2 4.02Å; L428-R520 PolarHBondContact O-NH1 2.89Å
429	S	82.8	Confident	80	Confident	100 Å²	100	65.7 Å²	65.7	70%	0.699	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-62.4	129.9	176.1	56.2	0	0	0	0	110.7	P497	S429-P497 WeakPolarHBondContact O-CG 3.09Å
430	N	83.5	Confident	79	Confident	51 Å²	51	66.6 Å²	66.6	27%	0.273	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-50.5	138.9	173.7	-75	-3	0	0	0	111.3	L428 R516 R520	L428-N430 PolarHBondContact O-N 2.73Å; N430-R516 PolarHBondContact ND2-NE 3.02Å; N430-R520 PolarHBondContact OD1-NH1 2.97Å
431	S	79.2	Confident	78	Confident	49 Å²	49	68.3 Å²	68.3	34%	0.343	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	-175.7	179.8	65.6	0	0	0	0	111.5	I495 R516	S431-I495 PolarHBondContact N-O 3.35Å; S431-I495 PolarHBondContact O-N 2.86Å; S431-I495 WeakPolarHBondContact OG-CB 3.43Å; S431-I495 WeakPolarHBondContact OG-CD1 3.46Å; S431-R516 PolarHBondContact O-NH1 3.09Å
432	R	80.3	Confident	77.2	Confident	133 Å²	133	71.6 Å²	71.6	50%	0.502	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	155.2	176.6	-66.5	-169.8	174.6	-156.4	-3.3	109.6	G434 Q493 L494 E513	R432-G434 PolarHBondContact O-N 3.11Å; R432-Q493 WeakPolarHBondContact CA-O 3.4Å; R432-L494 HydrophobicContact CG-CD2 3.88Å; R432-L494 VanDerWaalsContact CZ-CD2 3.47Å; R432-E513 IonicContact NH2-OE2 3.5Å
433	V	75.4	Confident	76.7	Confident	20 Å²	20	73 Å²	73	12%	0.121	38%	0.383	C	S	.	.	S	Bend	trans	-67.2	127.3	176.1	-173.5	0	0	0	0	109.7	R440 Q493 I495 L509	V433-R440 VanDerWaalsContact O-CG 3.24Å; V433-R440 WeakPolarHBondContact O-CG 2.85Å; V433-Q493 VanDerWaalsContact CB-OE1 3.24Å; V433-Q493 PolarHBondContact N-O 2.86Å; V433-I495 HydrophobicContact CG2-CD1 4.13Å; V433-I495 HydrophobicContact CG2-CG1 4.14Å; V433-L509 HydrophobicContact CG2-CD1 4.34Å; V433-L509 HydrophobicContact CG2-CD2 3.36Å
434	G	68	Low	76.2	Confident	20 Å²	20	68 Å²	68	21%	0.206	36%	0.36	C	S	.	.	S	Bend	trans	89.9	99.7	-168	0	0	0	0	0	110	R432 D436 R440	R432-G434 PolarHBondContact O-N 3.11Å; G434-D436 PolarHBondContact O-N 3.05Å; G434-R440 WeakPolarHBondContact O-CG 3.16Å; G434-R440 PolarHBondContact O-NE 3.47Å
435	S	62.6	Low	75.7	Confident	124 Å²	124	68.5 Å²	68.5	87%	0.867	36%	0.361	S	S	*	.	S	Bend	trans	-66.4	-29.7	179.5	44.3	0	0	0	0	112
436	D	65.2	Low	75.3	Confident	79 Å²	79	71.1 Å²	71.1	42%	0.422	38%	0.375	S	S	.	.	S	Bend	trans	-104.3	164.9	176.3	66.3	-11.4	0	0	0	111.8	G434 R438 G439 R440	G434-D436 PolarHBondContact O-N 3.05Å; D436-R438 PolarHBondContact O-N 2.98Å; D436-R438 WeakPolarHBondContact OD2-CB 3.2Å; D436-G439 WeakPolarHBondContact OD1-CA 3.26Å; D436-G439 PolarHBondContact OD1-N 3.4Å; D436-R440 PolarHBondContact O-N 2.82Å; D436-R440 PolarHBondContact O-NE 3.35Å
437	D	61.3	Low	75	Confident	75 Å²	75	68.8 Å²	68.8	40%	0.401	36%	0.359	S	S	.	.	H	α-helix	trans	-66.6	-27.2	176.2	-72.3	-33.9	0	0	0	112	R440 L441 K885	D437-R440 IonicContact OD1-CZ 3.81Å; D437-R440 IonicContact OD1-NE 2.7Å; D437-R440 IonicContact OD1-NH1 3.92Å; D437-R440 IonicContact OD1-NH2 2.79Å; D437-R440 PolarHBondContact OD1-NH2 3.09Å; D437-L441 WeakPolarHBondContact O-CB 3.4Å; D437-L441 PolarHBondContact O-N 2.85Å; D437-K885 IonicContact OD1-NZ 2.7Å
438	R	67.7	Low	74.4	Confident	207 Å²	207	70.4 Å²	70.4	78%	0.781	37%	0.367	S	S	*	.	H	α-helix	trans	-67.2	-48.4	179.5	-160.8	-177.6	-152	-179.8	6.4	111.6	D436 R440 L441 Q442	D436-R438 PolarHBondContact O-N 2.98Å; D436-R438 WeakPolarHBondContact OD2-CB 3.2Å; R438-R440 VanDerWaalsContact C-N 3.34Å; R438-R440 PolarHBondContact O-N 3.45Å; R438-L441 PolarHBondContact O-N 3.26Å; R438-Q442 PolarHBondContact O-N 2.83Å
439	G	71.4	Confident	74.2	Confident	21 Å²	21	73.6 Å²	73.6	22%	0.216	38%	0.381	C	S	.	.	H	α-helix	trans	-63	-39.9	176.6	0	0	0	0	0	112.2	D436 Q442 N443	D436-G439 WeakPolarHBondContact OD1-CA 3.26Å; D436-G439 PolarHBondContact OD1-N 3.4Å; G439-Q442 PolarHBondContact O-N 3.2Å; G439-N443 WeakPolarHBondContact O-CB 3.4Å; G439-N443 PolarHBondContact O-N 3.11Å; G439-N443 PolarHBondContact O-ND2 2.79Å
440	R	70.7	Confident	74.1	Confident	87 Å²	87	69.4 Å²	69.4	33%	0.328	35%	0.35	S	S	.	.	H	α-helix	trans	-61.8	-46.6	175	-78.9	-178.5	-81	167.6	-0.9	112.4	V433 G434 D436 D437 R438 Q442 N443 Q444	V433-R440 VanDerWaalsContact O-CG 3.24Å; V433-R440 WeakPolarHBondContact O-CG 2.85Å; G434-R440 WeakPolarHBondContact O-CG 3.16Å; G434-R440 PolarHBondContact O-NE 3.47Å; D436-R440 PolarHBondContact O-N 2.82Å; D436-R440 PolarHBondContact O-NE 3.35Å; D437-R440 IonicContact OD1-CZ 3.81Å; D437-R440 IonicContact OD1-NE 2.7Å; D437-R440 IonicContact OD1-NH1 3.92Å; D437-R440 IonicContact OD1-NH2 2.79Å; D437-R440 PolarHBondContact OD1-NH2 3.09Å; R438-R440 VanDerWaalsContact C-N 3.34Å; R438-R440 PolarHBondContact O-N 3.45Å; R440-Q442 VanDerWaalsContact C-N 3.34Å; R440-Q442 PolarHBondContact O-N 3.37Å; R440-N443 PolarHBondContact O-N 3.29Å; R440-Q444 PolarHBondContact O-N 3.1Å
441	L	68.9	Low	73.9	Confident	38 Å²	38	67.7 Å²	67.7	20%	0.199	34%	0.34	C	S	.	.	H	α-helix	trans	-64.9	-38.8	178.3	-171.1	69.3	0	0	0	112	D437 R438 Q444 K445 K881	D437-L441 WeakPolarHBondContact O-CB 3.4Å; D437-L441 PolarHBondContact O-N 2.85Å; R438-L441 PolarHBondContact O-N 3.26Å; L441-Q444 PolarHBondContact O-N 3.46Å; L441-K445 WeakPolarHBondContact O-CG 3.24Å; L441-K445 PolarHBondContact O-N 3.49Å; L441-K881 HydrophobicContact CD2-CD 4.42Å
442	Q	74.3	Confident	73.7	Confident	93 Å²	93	66.2 Å²	66.2	44%	0.435	33%	0.333	S	S	.	.	H	α-helix	trans	-65.2	-41.7	176.6	-170.8	60.2	43.7	0	0	111.6	R438 G439 R440 Q444 K445 N446	R438-Q442 PolarHBondContact O-N 2.83Å; G439-Q442 PolarHBondContact O-N 3.2Å; R440-Q442 VanDerWaalsContact C-N 3.34Å; R440-Q442 PolarHBondContact O-N 3.37Å; Q442-Q444 VanDerWaalsContact C-N 3.31Å; Q442-Q444 PolarHBondContact O-N 2.85Å; Q442-K445 PolarHBondContact O-N 2.93Å; Q442-N446 PolarHBondContact NE2-OD1 2.9Å; Q442-N446 WeakPolarHBondContact O-CB 3.32Å; Q442-N446 PolarHBondContact O-N 2.87Å; Q442-N446 PolarHBondContact O-ND2 3.39Å; Q442-N446 PolarHBondContact O-OD1 3.5Å
443	N	76.5	Confident	73.8	Confident	41 Å²	41	62.9 Å²	62.9	22%	0.219	33%	0.327	C	S	.	.	H	α-helix	trans	-62.3	-40.2	175.6	-70.6	-22.6	0	0	0	111.9	G439 R440 N446 L447	G439-N443 WeakPolarHBondContact O-CB 3.4Å; G439-N443 PolarHBondContact O-N 3.11Å; G439-N443 PolarHBondContact O-ND2 2.79Å; R440-N443 PolarHBondContact O-N 3.29Å; N443-N446 PolarHBondContact O-N 3.46Å; N443-L447 WeakPolarHBondContact O-CB 3.37Å; N443-L447 PolarHBondContact O-N 2.93Å
444	Q	73.8	Confident	73.8	Confident	65 Å²	65	62 Å²	62	30%	0.304	32%	0.322	S	S	.	.	H	α-helix	trans	-61.7	-49.8	175.6	-173.1	168.7	14.8	0	0	111.2	R440 L441 Q442 N446 L447 D448	R440-Q444 PolarHBondContact O-N 3.1Å; L441-Q444 PolarHBondContact O-N 3.46Å; Q442-Q444 VanDerWaalsContact C-N 3.31Å; Q442-Q444 PolarHBondContact O-N 2.85Å; Q444-N446 PolarHBondContact O-N 3.36Å; Q444-L447 CarbonylContact O-C 3.55Å; Q444-L447 WeakPolarHBondContact O-CA 3.44Å; Q444-L447 WeakPolarHBondContact O-CB 3.42Å; Q444-L447 PolarHBondContact O-N 2.8Å; Q444-D448 VanDerWaalsContact O-CG 3.27Å; Q444-D448 PolarHBondContact O-N 3.44Å
445	K	76.4	Confident	74.1	Confident	69 Å²	69	63.4 Å²	63.4	30%	0.3	32%	0.321	S	S	.	.	H	α-helix	trans	-56.3	-47	175.5	-72.6	178.7	176.6	-174.7	0	113	L441 Q442 L447 D448 E449	L441-K445 WeakPolarHBondContact O-CG 3.24Å; L441-K445 PolarHBondContact O-N 3.49Å; Q442-K445 PolarHBondContact O-N 2.93Å; K445-L447 PolarHBondContact O-N 3.07Å; K445-D448 PolarHBondContact O-N 3.37Å; K445-E449 WeakPolarHBondContact O-CB 3.42Å; K445-E449 WeakPolarHBondContact O-CG 3.48Å; K445-E449 PolarHBondContact O-N 2.76Å
446	N	81.6	Confident	74.7	Confident	73 Å²	73	61.6 Å²	61.6	39%	0.39	30%	0.301	S	S	.	.	H	α-helix	trans	-60.8	-34.4	178.3	-66.1	-9.7	0	0	0	111.5	Q442 N443 Q444 L450	Q442-N446 PolarHBondContact NE2-OD1 2.9Å; Q442-N446 WeakPolarHBondContact O-CB 3.32Å; Q442-N446 PolarHBondContact O-N 2.87Å; Q442-N446 PolarHBondContact O-ND2 3.39Å; Q442-N446 PolarHBondContact O-OD1 3.5Å; N443-N446 PolarHBondContact O-N 3.46Å; Q444-N446 PolarHBondContact O-N 3.36Å; N446-L450 WeakPolarHBondContact O-CB 3.27Å; N446-L450 PolarHBondContact O-N 3.29Å; N446-L450 VanDerWaalsContact O-N 3.08Å
447	L	81.6	Confident	75.3	Confident	6 Å²	6	59.2 Å²	59.2	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-74.4	-42.1	177.8	-167.4	74.3	0	0	0	111.7	N443 Q444 K445 E449 L450 K451 L487 E490	N443-L447 WeakPolarHBondContact O-CB 3.37Å; N443-L447 PolarHBondContact O-N 2.93Å; Q444-L447 CarbonylContact O-C 3.55Å; Q444-L447 WeakPolarHBondContact O-CA 3.44Å; Q444-L447 WeakPolarHBondContact O-CB 3.42Å; Q444-L447 PolarHBondContact O-N 2.8Å; K445-L447 PolarHBondContact O-N 3.07Å; L447-E449 VanDerWaalsContact C-N 3.33Å; L447-E449 PolarHBondContact O-N 2.96Å; L447-L450 CarbonylContact O-C 3.47Å; L447-L450 WeakPolarHBondContact O-CB 3.25Å; L447-L450 PolarHBondContact O-N 3.43Å; L447-L450 VanDerWaalsContact O-N 3.12Å; L447-K451 WeakPolarHBondContact O-CG 3.42Å; L447-K451 PolarHBondContact O-N 2.72Å; L447-L487 HydrophobicContact CD1-CD1 3.62Å; L447-L487 HydrophobicContact CG-CD1 4.35Å; L447-E490 HydrophobicContact CD1-CB 4.05Å
448	D	74.5	Confident	75.7	Confident	65 Å²	65	57.4 Å²	57.4	35%	0.348	28%	0.276	S	S	.	.	H	α-helix	trans	-63.7	-40.8	177	-62.9	-28	0	0	0	111.1	Q444 K445 K451 G452	Q444-D448 VanDerWaalsContact O-CG 3.27Å; Q444-D448 PolarHBondContact O-N 3.44Å; K445-D448 PolarHBondContact O-N 3.37Å; D448-K451 PolarHBondContact O-N 2.73Å; D448-G452 PolarHBondContact O-N 3.04Å
449	E	81.5	Confident	75.7	Confident	130 Å²	130	49 Å²	49	61%	0.607	25%	0.246	S	C	*	.	H	α-helix	trans	-59.8	-45.1	170.3	-73.7	173.9	-166.5	0	0	111.2	K445 L447 G452 T453	K445-E449 WeakPolarHBondContact O-CB 3.42Å; K445-E449 WeakPolarHBondContact O-CG 3.48Å; K445-E449 PolarHBondContact O-N 2.76Å; L447-E449 VanDerWaalsContact C-N 3.33Å; L447-E449 PolarHBondContact O-N 2.96Å; E449-G452 PolarHBondContact O-N 2.84Å; E449-T453 WeakPolarHBondContact O-CG2 3.38Å; E449-T453 PolarHBondContact O-N 3.37Å; E449-T453 PolarHBondContact O-OG1 2.98Å
450	L	82.5	Confident	75.7	Confident	11 Å²	11	50.8 Å²	50.8	6%	0.058	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-45.5	178	-173.4	61.7	0	0	0	111.8	N446 L447 G452 T453 V454 L483 K486 L487	N446-L450 WeakPolarHBondContact O-CB 3.27Å; N446-L450 PolarHBondContact O-N 3.29Å; N446-L450 VanDerWaalsContact O-N 3.08Å; L447-L450 CarbonylContact O-C 3.47Å; L447-L450 WeakPolarHBondContact O-CB 3.25Å; L447-L450 PolarHBondContact O-N 3.43Å; L447-L450 VanDerWaalsContact O-N 3.12Å; L450-G452 VanDerWaalsContact C-N 3.32Å; L450-G452 PolarHBondContact O-N 3.49Å; L450-T453 PolarHBondContact O-N 3.14Å; L450-T453 PolarHBondContact O-OG1 3.21Å; L450-V454 WeakPolarHBondContact O-CG2 3.32Å; L450-V454 PolarHBondContact O-N 2.98Å; L450-L483 HydrophobicContact CD1-CD2 3.86Å; L450-K486 HydrophobicContact CD1-CD 3.96Å; L450-K486 HydrophobicContact CD2-CB 4.19Å; L450-K486 HydrophobicContact CD2-CD 4.01Å; L450-K486 HydrophobicContact CD2-CG 3.83Å; L450-L487 HydrophobicContact CB-CD1 4.43Å; L450-L487 HydrophobicContact CD2-CB 4.1Å; L450-L487 HydrophobicContact CD2-CD1 3.87Å; L450-L487 HydrophobicContact CG-CD1 4.04Å
451	K	78.1	Confident	75.5	Confident	15 Å²	15	48.3 Å²	48.3	7%	0.065	25%	0.245	C	C	.	.	H	α-helix	trans	-57.2	-46.3	173.5	-71.3	179.5	-173.5	-173.1	0	110.5	L447 D448 T453 V454 R455 L487 S622 Y623	L447-K451 WeakPolarHBondContact O-CG 3.42Å; L447-K451 PolarHBondContact O-N 2.72Å; D448-K451 PolarHBondContact O-N 2.73Å; K451-T453 PolarHBondContact O-N 3.13Å; K451-V454 PolarHBondContact O-N 3.48Å; K451-R455 WeakPolarHBondContact O-CB 3.43Å; K451-R455 PolarHBondContact O-N 3.28Å; K451-L487 HydrophobicContact CG-CD1 3.88Å; K451-S622 PolarHBondContact NZ-O 2.97Å; K451-S622 VanDerWaalsContact NZ-O 3.15Å; K451-Y623 HydrophobicContact CD-CD2 4.01Å; K451-Y623 HydrophobicContact CD-CG 4.38Å; K451-Y623 HydrophobicContact CG-CD2 4.24Å; K451-Y623 HydrophobicContact CG-CG 4.29Å
452	G	74.8	Confident	75.3	Confident	18 Å²	18	49.6 Å²	49.6	19%	0.186	25%	0.252	C	S	.	.	H	α-helix	trans	-58.4	-43.4	175.5	0	0	0	0	0	112.9	D448 E449 L450 R455 N456	D448-G452 PolarHBondContact O-N 3.04Å; E449-G452 PolarHBondContact O-N 2.84Å; L450-G452 VanDerWaalsContact C-N 3.32Å; L450-G452 PolarHBondContact O-N 3.49Å; G452-R455 PolarHBondContact O-N 3.43Å; G452-N456 WeakPolarHBondContact O-CB 3.2Å; G452-N456 PolarHBondContact O-N 2.91Å; G452-N456 PolarHBondContact O-ND2 2.9Å
453	T	82.4	Confident	74.5	Confident	63 Å²	63	52.1 Å²	52.1	39%	0.387	26%	0.258	S	S	.	.	H	α-helix	trans	-66.9	-40.2	176.7	60.6	0	0	0	0	113.3	E449 L450 K451 L457	E449-T453 WeakPolarHBondContact O-CG2 3.38Å; E449-T453 PolarHBondContact O-N 3.37Å; E449-T453 PolarHBondContact O-OG1 2.98Å; L450-T453 PolarHBondContact O-N 3.14Å; L450-T453 PolarHBondContact O-OG1 3.21Å; K451-T453 PolarHBondContact O-N 3.13Å; T453-L457 VanDerWaalsContact O-CB 3.31Å; T453-L457 WeakPolarHBondContact O-CB 3.34Å; T453-L457 PolarHBondContact O-N 2.78Å
454	V	76.6	Confident	73.5	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-48.1	175.6	169.7	0	0	0	0	109.9	L450 K451 L457 R458 L480 L483 E484	L450-V454 WeakPolarHBondContact O-CG2 3.32Å; L450-V454 PolarHBondContact O-N 2.98Å; K451-V454 PolarHBondContact O-N 3.48Å; V454-L457 PolarHBondContact O-N 2.79Å; V454-R458 WeakPolarHBondContact O-CG 3.38Å; V454-R458 PolarHBondContact O-N 2.88Å; V454-L480 HydrophobicContact CG1-CD1 4.07Å; V454-L483 HydrophobicContact CG2-CB 3.68Å; V454-E484 HydrophobicContact CG1-CG 4.32Å
455	R	74.4	Confident	72.5	Confident	51 Å²	51	52.2 Å²	52.2	19%	0.192	27%	0.269	C	S	.	.	H	α-helix	trans	-55.6	-53.7	176	179.2	-174.1	-123.5	122	4.3	111.8	K451 G452 L457 R458 Q459 D651	K451-R455 WeakPolarHBondContact O-CB 3.43Å; K451-R455 PolarHBondContact O-N 3.28Å; G452-R455 PolarHBondContact O-N 3.43Å; R455-L457 VanDerWaalsContact C-N 3.31Å; R455-L457 PolarHBondContact O-N 2.92Å; R455-R458 PolarHBondContact O-N 2.83Å; R455-Q459 WeakPolarHBondContact O-CG 3.47Å; R455-Q459 PolarHBondContact O-N 3.19Å; R455-D651 IonicContact CZ-OD1 2.93Å; R455-D651 IonicContact CZ-OD2 2.62Å; R455-D651 VanDerWaalsContact NH1-CG 3.27Å; R455-D651 IonicContact NH1-OD1 3.18Å; R455-D651 PolarHBondContact NH1-OD1 2.91Å; R455-D651 IonicContact NH1-OD2 3.36Å; R455-D651 PolarHBondContact NH1-OD2 3.34Å; R455-D651 IonicContact NH2-OD1 2.86Å; R455-D651 PolarHBondContact NH2-OD1 3.47Å; R455-D651 IonicContact NH2-OD2 3.93Å; R455-D651 PolarHBondContact NH2-OD2 2.8Å
456	N	75.3	Confident	71.1	Confident	85 Å²	85	57.9 Å²	57.9	46%	0.455	30%	0.297	S	S	.	.	H	α-helix	trans	-59.1	-43.7	180	-70.3	-18.1	0	0	0	111	G452 Q459 T460	G452-N456 WeakPolarHBondContact O-CB 3.2Å; G452-N456 PolarHBondContact O-N 2.91Å; G452-N456 PolarHBondContact O-ND2 2.9Å; N456-Q459 PolarHBondContact O-N 2.85Å; N456-T460 VanDerWaalsContact O-CG2 3.29Å; N456-T460 WeakPolarHBondContact O-CG2 3.45Å; N456-T460 PolarHBondContact O-N 2.96Å
457	L	76.3	Confident	69.3	Low	30 Å²	30	60 Å²	60	16%	0.157	31%	0.308	C	S	.	.	H	α-helix	trans	-67.1	-42.7	-179.5	-171.8	63.7	0	0	0	112.2	T453 V454 R455 T460 M461 L480 L483	T453-L457 VanDerWaalsContact O-CB 3.31Å; T453-L457 WeakPolarHBondContact O-CB 3.34Å; T453-L457 PolarHBondContact O-N 2.78Å; V454-L457 PolarHBondContact O-N 2.79Å; R455-L457 VanDerWaalsContact C-N 3.31Å; R455-L457 PolarHBondContact O-N 2.92Å; L457-T460 PolarHBondContact O-N 2.75Å; L457-T460 PolarHBondContact O-OG1 3.03Å; L457-M461 WeakPolarHBondContact O-CG 3.36Å; L457-M461 PolarHBondContact O-N 3.36Å; L457-M461 VanDerWaalsContact O-N 3.07Å; L457-L480 HydrophobicContact CB-CD1 4.34Å; L457-L480 HydrophobicContact CD2-CB 3.77Å; L457-L480 HydrophobicContact CD2-CD1 4.09Å; L457-L480 HydrophobicContact CG-CB 4.4Å; L457-L480 HydrophobicContact CG-CD1 4.35Å; L457-L483 HydrophobicContact CD2-CD1 3.9Å
458	R	71	Confident	67.9	Low	37 Å²	37	67.9 Å²	67.9	14%	0.14	34%	0.342	C	S	.	.	H	α-helix	trans	-56.2	-49.8	172.5	-76.4	-176.3	174.3	-162.4	-5.1	111	V454 R455 T460 M461 N462 L480 E484 I587	V454-R458 WeakPolarHBondContact O-CG 3.38Å; V454-R458 PolarHBondContact O-N 2.88Å; R455-R458 PolarHBondContact O-N 2.83Å; R458-T460 PolarHBondContact O-N 3.31Å; R458-M461 PolarHBondContact O-N 2.91Å; R458-N462 PolarHBondContact O-N 3.41Å; R458-L480 HydrophobicContact CG-CD1 3.69Å; R458-L480 HydrophobicContact CG-CD2 3.81Å; R458-L480 HydrophobicContact CG-CG 4.43Å; R458-E484 IonicContact CZ-OE1 3.17Å; R458-E484 IonicContact NE-OE1 2.91Å; R458-E484 PolarHBondContact NE-OE1 3.23Å; R458-E484 VanDerWaalsContact NE-OE1 3.15Å; R458-E484 IonicContact NH2-OE1 2.68Å; R458-E484 PolarHBondContact NH2-OE1 3.16Å; R458-I587 PolarHBondContact NH2-O 2.75Å
459	Q	67.3	Low	66.7	Low	29 Å²	29	73.9 Å²	73.9	14%	0.136	37%	0.367	C	S	.	.	H	α-helix	trans	-58.4	-43.9	177	-71.7	175.8	-8.2	0	0	112.3	R455 N456 M461 N462 R463	R455-Q459 WeakPolarHBondContact O-CG 3.47Å; R455-Q459 PolarHBondContact O-N 3.19Å; N456-Q459 PolarHBondContact O-N 2.85Å; Q459-M461 PolarHBondContact O-N 3.48Å; Q459-N462 PolarHBondContact O-N 2.58Å; Q459-R463 WeakPolarHBondContact O-CG 3.35Å; Q459-R463 PolarHBondContact O-N 3.37Å; Q459-R463 VanDerWaalsContact O-N 3.1Å
460	T	71.9	Confident	65.4	Low	59 Å²	59	69.6 Å²	69.6	36%	0.362	35%	0.352	S	S	.	.	H	α-helix	trans	-66.3	-24.3	177	66.1	0	0	0	0	113.9	N456 L457 R458 S464	N456-T460 VanDerWaalsContact O-CG2 3.29Å; N456-T460 WeakPolarHBondContact O-CG2 3.45Å; N456-T460 PolarHBondContact O-N 2.96Å; L457-T460 PolarHBondContact O-N 2.75Å; L457-T460 PolarHBondContact O-OG1 3.03Å; R458-T460 PolarHBondContact O-N 3.31Å; T460-S464 PolarHBondContact O-OG 3.07Å
461	M	66.3	Low	64.1	Low	35 Å²	35	73.7 Å²	73.7	17%	0.172	38%	0.382	C	S	.	.	H	α-helix	trans	-80.1	-42.6	175.4	-71.9	-158.3	-56.1	0	0	111.4	L457 R458 Q459 R463 S464 K476 L477 L480	L457-M461 WeakPolarHBondContact O-CG 3.36Å; L457-M461 PolarHBondContact O-N 3.36Å; L457-M461 VanDerWaalsContact O-N 3.07Å; R458-M461 PolarHBondContact O-N 2.91Å; Q459-M461 PolarHBondContact O-N 3.48Å; M461-R463 VanDerWaalsContact C-N 3.29Å; M461-R463 PolarHBondContact O-N 3.1Å; M461-S464 PolarHBondContact O-N 3.44Å; M461-S464 PolarHBondContact O-OG 2.83Å; M461-K476 HydrophobicContact CG-CB 4.02Å; M461-K476 HydrophobicContact CG-CD 4.15Å; M461-K476 HydrophobicContact SD-CB 3.71Å; M461-L477 HydrophobicContact CE-CD1 4.33Å; M461-L477 HydrophobicContact SD-CB 4.42Å; M461-L480 HydrophobicContact CE-CB 3.89Å; M461-L480 HydrophobicContact CE-CD2 3.2Å; M461-L480 HydrophobicContact CE-CG 4.06Å
462	N	63.8	Low	63.2	Low	66 Å²	66	80.4 Å²	80.4	35%	0.353	41%	0.411	S	S	.	.	H	α-helix	trans	-58	-40.4	175.2	-74.1	-0.2	0	0	0	112	R458 Q459 S464 S465 E592	R458-N462 PolarHBondContact O-N 3.41Å; Q459-N462 PolarHBondContact O-N 2.58Å; N462-S464 VanDerWaalsContact C-N 3.25Å; N462-S464 PolarHBondContact O-N 3Å; N462-S465 WeakPolarHBondContact O-CB 3.35Å; N462-S465 PolarHBondContact O-OG 3.05Å; N462-E592 PolarHBondContact ND2-OE1 3.4Å
463	R	58.5	Low	62.4	Low	145 Å²	145	81.2 Å²	81.2	55%	0.547	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.6	175.2	-70	178.2	-175.8	-175.1	1.2	114.7	Q459 M461	Q459-R463 WeakPolarHBondContact O-CG 3.35Å; Q459-R463 PolarHBondContact O-N 3.37Å; Q459-R463 VanDerWaalsContact O-N 3.1Å; M461-R463 VanDerWaalsContact C-N 3.29Å; M461-R463 PolarHBondContact O-N 3.1Å
464	S	54.6	Low	61.3	Low	33 Å²	33	82.5 Å²	82.5	23%	0.231	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	22.1	-175.3	61.6	0	0	0	0	114.1	T460 M461 N462 E466 D467	T460-S464 PolarHBondContact O-OG 3.07Å; M461-S464 PolarHBondContact O-N 3.44Å; M461-S464 PolarHBondContact O-OG 2.83Å; N462-S464 VanDerWaalsContact C-N 3.25Å; N462-S464 PolarHBondContact O-N 3Å; S464-E466 PolarHBondContact O-N 2.61Å; S464-E466 VanDerWaalsContact O-N 3.09Å; S464-D467 PolarHBondContact O-N 3.43Å
465	S	52.4	Low	60.7	Low	76 Å²	76	85.8 Å²	85.8	53%	0.531	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-5.4	-168.1	36.1	0	0	0	0	115.8	N462	N462-S465 WeakPolarHBondContact O-CB 3.35Å; N462-S465 PolarHBondContact O-OG 3.05Å
466	E	47	Very low	60.4	Low	188 Å²	188	86.3 Å²	86.3	88%	0.879	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-21.6	177.4	-63.3	-162.8	150.8	0	0	114.5	S464	S464-E466 PolarHBondContact O-N 2.61Å; S464-E466 VanDerWaalsContact O-N 3.09Å
467	D	45.2	Very low	59.8	Low	118 Å²	118	86.3 Å²	86.3	63%	0.631	45%	0.445	S	S	*	.			trans	-115.4	68.6	-177.5	-80.8	-31.9	0	0	0	113	S464 H469 N473	S464-D467 PolarHBondContact O-N 3.43Å; D467-H469 PolarHBondContact O-N 3.11Å; D467-N473 PolarHBondContact O-ND2 3.44Å
468	K	50.5	Low	59.3	Low	170 Å²	170	88.5 Å²	88.5	74%	0.739	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	1.3	-175.4	-70.2	-178.4	178.9	176.7	0	115.9
469	H	50.1	Low	59.5	Low	191 Å²	191	88.8 Å²	88.8	88%	0.884	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.1	12.2	-175	-69.8	-52.4	0	0	0	116.6	D467	D467-H469 PolarHBondContact O-N 3.11Å
470	S	54.7	Low	59.8	Low	41 Å²	41	88 Å²	88	29%	0.287	46%	0.464	S	S	.	.			trans	-81.8	143.9	177.9	85	0	0	0	0	113.2	K472 N473	S470-K472 PolarHBondContact O-N 3.3Å; S470-K472 VanDerWaalsContact O-N 3.13Å; S470-N473 PolarHBondContact O-N 3.01Å; S470-N473 PolarHBondContact OG-N 3.4Å
471	S	55.6	Low	59.6	Low	97 Å²	97	87.7 Å²	87.7	68%	0.678	47%	0.465	S	S	*	.	H	α-helix	trans	-57.9	-26.9	175.5	75.4	0	0	0	0	112.6	N473 T474 S475	S471-N473 PolarHBondContact O-N 2.72Å; S471-T474 PolarHBondContact O-N 2.79Å; S471-T474 PolarHBondContact O-OG1 2.81Å; S471-S475 PolarHBondContact O-N 3.5Å
472	K	57.9	Low	60	Low	156 Å²	156	93.2 Å²	93.2	68%	0.678	49%	0.488	S	S	*	.	H	α-helix	trans	-61.5	-41.7	175.2	-68	-178.6	179.4	176	0	111.8	S470 S475 K476	S470-K472 PolarHBondContact O-N 3.3Å; S470-K472 VanDerWaalsContact O-N 3.13Å; K472-S475 PolarHBondContact O-N 3.49Å; K472-S475 PolarHBondContact O-OG 3.2Å; K472-K476 PolarHBondContact O-N 3.28Å; K472-K476 VanDerWaalsContact O-N 3.15Å
473	N	58.7	Low	60.8	Low	34 Å²	34	92.2 Å²	92.2	18%	0.182	48%	0.482	C	S	.	.	H	α-helix	trans	-69.3	-34.5	179.6	-78.9	-10.2	0	0	0	112.8	D467 S470 S471 S475 K476 L477	D467-N473 PolarHBondContact O-ND2 3.44Å; S470-N473 PolarHBondContact O-N 3.01Å; S470-N473 PolarHBondContact OG-N 3.4Å; S471-N473 PolarHBondContact O-N 2.72Å; N473-S475 VanDerWaalsContact C-N 3.3Å; N473-S475 PolarHBondContact O-N 3.13Å; N473-K476 PolarHBondContact O-N 2.94Å; N473-L477 WeakPolarHBondContact O-CB 3.49Å; N473-L477 PolarHBondContact O-N 2.93Å
474	T	58.1	Low	61.5	Low	90 Å²	90	85.9 Å²	85.9	55%	0.552	46%	0.459	S	S	*	.	H	α-helix	trans	-63.8	-35.6	174	67.6	0	0	0	0	112.7	S471 T478	S471-T474 PolarHBondContact O-N 2.79Å; S471-T474 PolarHBondContact O-OG1 2.81Å; T474-T478 WeakPolarHBondContact O-CB 3.27Å; T474-T478 PolarHBondContact O-N 2.92Å; T474-T478 PolarHBondContact O-OG1 2.95Å
475	S	64.1	Low	62.4	Low	71 Å²	71	85.7 Å²	85.7	50%	0.497	46%	0.462	S	S	.	.	H	α-helix	trans	-68.8	-41.5	176.1	75.7	0	0	0	0	112	S471 K472 N473 T478 S479	S471-S475 PolarHBondContact O-N 3.5Å; K472-S475 PolarHBondContact O-N 3.49Å; K472-S475 PolarHBondContact O-OG 3.2Å; N473-S475 VanDerWaalsContact C-N 3.3Å; N473-S475 PolarHBondContact O-N 3.13Å; S475-T478 PolarHBondContact O-N 2.83Å; S475-S479 PolarHBondContact O-N 2.87Å; S475-S479 PolarHBondContact O-OG 3.36Å
476	K	68.1	Low	63.9	Low	61 Å²	61	87.4 Å²	87.4	27%	0.265	46%	0.46	S	S	.	.	H	α-helix	trans	-63.6	-45.3	175.7	-70.8	-177	-179.8	179.7	0	112	M461 K472 N473 T478 S479 L480	M461-K476 HydrophobicContact CG-CB 4.02Å; M461-K476 HydrophobicContact CG-CD 4.15Å; M461-K476 HydrophobicContact SD-CB 3.71Å; K472-K476 PolarHBondContact O-N 3.28Å; K472-K476 VanDerWaalsContact O-N 3.15Å; N473-K476 PolarHBondContact O-N 2.94Å; K476-T478 VanDerWaalsContact C-N 3.33Å; K476-T478 PolarHBondContact O-N 3.19Å; K476-S479 VanDerWaalsContact C-OG 3.3Å; K476-S479 VanDerWaalsContact CA-OG 3.25Å; K476-S479 WeakPolarHBondContact CA-OG 3.37Å; K476-S479 PolarHBondContact O-N 3.45Å; K476-S479 VanDerWaalsContact O-N 3.16Å; K476-S479 PolarHBondContact O-OG 3.47Å; K476-L480 PolarHBondContact O-N 3.37Å
477	L	63.9	Low	65.4	Low	85 Å²	85	78.5 Å²	78.5	45%	0.445	42%	0.418	S	S	.	.	H	α-helix	trans	-61.9	-43.5	176.6	-173.8	64.3	0	0	0	111.2	M461 N473 S479 L480 S481	M461-L477 HydrophobicContact CE-CD1 4.33Å; M461-L477 HydrophobicContact SD-CB 4.42Å; N473-L477 WeakPolarHBondContact O-CB 3.49Å; N473-L477 PolarHBondContact O-N 2.93Å; L477-S479 VanDerWaalsContact C-N 3.31Å; L477-S479 PolarHBondContact O-N 3.39Å; L477-L480 PolarHBondContact O-N 3.19Å; L477-S481 PolarHBondContact O-N 3.29Å; L477-S481 PolarHBondContact O-OG 3.35Å
478	T	65.4	Low	66.9	Low	76 Å²	76	73.1 Å²	73.1	47%	0.466	39%	0.39	S	S	.	.	H	α-helix	trans	-62.8	-37.8	175.6	-56.2	0	0	0	0	112	T474 S475 K476 K482	T474-T478 WeakPolarHBondContact O-CB 3.27Å; T474-T478 PolarHBondContact O-N 2.92Å; T474-T478 PolarHBondContact O-OG1 2.95Å; S475-T478 PolarHBondContact O-N 2.83Å; K476-T478 VanDerWaalsContact C-N 3.33Å; K476-T478 PolarHBondContact O-N 3.19Å; T478-K482 VanDerWaalsContact O-CG 3.28Å; T478-K482 WeakPolarHBondContact O-CG 3.41Å; T478-K482 PolarHBondContact O-N 2.9Å
479	S	75.5	Confident	68.5	Low	44 Å²	44	67.3 Å²	67.3	31%	0.308	37%	0.367	S	S	.	.	H	α-helix	trans	-68.8	-38	173.7	51	0	0	0	0	112.5	S475 K476 L477 K482 L483	S475-S479 PolarHBondContact O-N 2.87Å; S475-S479 PolarHBondContact O-OG 3.36Å; K476-S479 VanDerWaalsContact C-OG 3.3Å; K476-S479 VanDerWaalsContact CA-OG 3.25Å; K476-S479 WeakPolarHBondContact CA-OG 3.37Å; K476-S479 PolarHBondContact O-N 3.45Å; K476-S479 VanDerWaalsContact O-N 3.16Å; K476-S479 PolarHBondContact O-OG 3.47Å; L477-S479 VanDerWaalsContact C-N 3.31Å; L477-S479 PolarHBondContact O-N 3.39Å; S479-K482 WeakPolarHBondContact O-CB 3.33Å; S479-K482 PolarHBondContact O-N 3.49Å; S479-L483 WeakPolarHBondContact O-CG 3.46Å; S479-L483 PolarHBondContact O-N 2.82Å
480	L	73.9	Confident	70.1	Confident	11 Å²	11	61.2 Å²	61.2	6%	0.058	34%	0.339	C	S	.	.	H	α-helix	trans	-62.1	-53.3	177.2	-177.6	68.7	0	0	0	110.1	V454 L457 R458 M461 K476 L477 K482 L483 E484	V454-L480 HydrophobicContact CG1-CD1 4.07Å; L457-L480 HydrophobicContact CB-CD1 4.34Å; L457-L480 HydrophobicContact CD2-CB 3.77Å; L457-L480 HydrophobicContact CD2-CD1 4.09Å; L457-L480 HydrophobicContact CG-CB 4.4Å; L457-L480 HydrophobicContact CG-CD1 4.35Å; R458-L480 HydrophobicContact CG-CD1 3.69Å; R458-L480 HydrophobicContact CG-CD2 3.81Å; R458-L480 HydrophobicContact CG-CG 4.43Å; M461-L480 HydrophobicContact CE-CB 3.89Å; M461-L480 HydrophobicContact CE-CD2 3.2Å; M461-L480 HydrophobicContact CE-CG 4.06Å; K476-L480 PolarHBondContact O-N 3.37Å; L477-L480 PolarHBondContact O-N 3.19Å; L480-K482 PolarHBondContact O-N 3.36Å; L480-K482 VanDerWaalsContact O-N 3.1Å; L480-L483 PolarHBondContact O-N 3.28Å; L480-E484 HydrophobicContact CD1-CG 4.16Å; L480-E484 WeakPolarHBondContact CD2-OE1 3.09Å; L480-E484 HydrophobicContact CG-CG 4.09Å; L480-E484 WeakPolarHBondContact CG-OE1 3.46Å; L480-E484 WeakPolarHBondContact O-CB 3.49Å; L480-E484 WeakPolarHBondContact O-CG 3.34Å; L480-E484 PolarHBondContact O-N 3.27Å
481	S	66.5	Low	71.3	Confident	54 Å²	54	59.4 Å²	59.4	38%	0.378	33%	0.326	S	S	.	.	H	α-helix	trans	-59.4	-29.2	179.3	-52.7	0	0	0	0	113.1	L477 G485	L477-S481 PolarHBondContact O-N 3.29Å; L477-S481 PolarHBondContact O-OG 3.35Å; S481-G485 PolarHBondContact O-N 3.3Å
482	K	76.2	Confident	72.6	Confident	150 Å²	150	54.8 Å²	54.8	65%	0.652	29%	0.294	S	S	*	.	H	α-helix	trans	-71.1	-43.5	173.3	-77.5	173.7	-178.6	176.6	0	112.3	T478 S479 L480 K486	T478-K482 VanDerWaalsContact O-CG 3.28Å; T478-K482 WeakPolarHBondContact O-CG 3.41Å; T478-K482 PolarHBondContact O-N 2.9Å; S479-K482 WeakPolarHBondContact O-CB 3.33Å; S479-K482 PolarHBondContact O-N 3.49Å; L480-K482 PolarHBondContact O-N 3.36Å; L480-K482 VanDerWaalsContact O-N 3.1Å; K482-K486 WeakPolarHBondContact O-CB 3.5Å; K482-K486 PolarHBondContact O-N 3.16Å
483	L	79.9	Confident	73.9	Confident	46 Å²	46	49.1 Å²	49.1	24%	0.241	27%	0.269	C	S	.	.	H	α-helix	trans	-68.5	-41.5	177.8	-68.3	174.8	0	0	0	111	L450 V454 L457 S479 L480 K486 L487	L450-L483 HydrophobicContact CD1-CD2 3.86Å; V454-L483 HydrophobicContact CG2-CB 3.68Å; L457-L483 HydrophobicContact CD2-CD1 3.9Å; S479-L483 WeakPolarHBondContact O-CG 3.46Å; S479-L483 PolarHBondContact O-N 2.82Å; L480-L483 PolarHBondContact O-N 3.28Å; L483-K486 CarbonylContact O-C 3.34Å; L483-K486 WeakPolarHBondContact O-CA 3.22Å; L483-K486 WeakPolarHBondContact O-CB 3.19Å; L483-K486 PolarHBondContact O-N 3.28Å; L483-K486 VanDerWaalsContact O-N 3.14Å; L483-L487 PolarHBondContact O-N 2.83Å
484	E	72.6	Confident	75.1	Confident	12 Å²	12	48.1 Å²	48.1	6%	0.056	26%	0.264	C	S	.	.	H	α-helix	trans	-58.7	-50.2	172.4	-77.5	177.2	164.7	0	0	111.4	V454 R458 L480 K486 L487 V488 I587	V454-E484 HydrophobicContact CG1-CG 4.32Å; R458-E484 IonicContact CZ-OE1 3.17Å; R458-E484 IonicContact NE-OE1 2.91Å; R458-E484 PolarHBondContact NE-OE1 3.23Å; R458-E484 VanDerWaalsContact NE-OE1 3.15Å; R458-E484 IonicContact NH2-OE1 2.68Å; R458-E484 PolarHBondContact NH2-OE1 3.16Å; L480-E484 HydrophobicContact CD1-CG 4.16Å; L480-E484 WeakPolarHBondContact CD2-OE1 3.09Å; L480-E484 HydrophobicContact CG-CG 4.09Å; L480-E484 WeakPolarHBondContact CG-OE1 3.46Å; L480-E484 WeakPolarHBondContact O-CB 3.49Å; L480-E484 WeakPolarHBondContact O-CG 3.34Å; L480-E484 PolarHBondContact O-N 3.27Å; E484-K486 PolarHBondContact O-N 2.92Å; E484-L487 WeakPolarHBondContact O-CB 3.48Å; E484-L487 PolarHBondContact O-N 2.79Å; E484-V488 WeakPolarHBondContact O-CG2 3.45Å; E484-V488 PolarHBondContact O-N 3.33Å; E484-I587 VanDerWaalsContact CA-CG2 3.49Å; E484-I587 HydrophobicContact CB-CG2 3.48Å; E484-I587 VanDerWaalsContact CB-CG2 3.48Å; E484-I587 HydrophobicContact CG-CG2 3.63Å; E484-I587 WeakPolarHBondContact CG-O 3.28Å; E484-I587 WeakPolarHBondContact O-CG2 3.48Å
485	G	74.3	Confident	76.6	Confident	29 Å²	29	44.4 Å²	44.4	30%	0.299	24%	0.24	S	C	.	.	H	α-helix	trans	-60.7	-32	174.2	0	0	0	0	0	113.4	S481 L489	S481-G485 PolarHBondContact O-N 3.3Å; G485-L489 WeakPolarHBondContact O-CG 3.44Å; G485-L489 PolarHBondContact O-N 3.09Å
486	K	82.8	Confident	78	Confident	112 Å²	112	41 Å²	41	49%	0.487	22%	0.217	S	C	.	.	H	α-helix	trans	-69.2	-41.7	172.7	-171.8	-178	176.7	-170.9	0	110.9	L450 K482 L483 E484 V488 L489 E490	L450-K486 HydrophobicContact CD1-CD 3.96Å; L450-K486 HydrophobicContact CD2-CB 4.19Å; L450-K486 HydrophobicContact CD2-CD 4.01Å; L450-K486 HydrophobicContact CD2-CG 3.83Å; K482-K486 WeakPolarHBondContact O-CB 3.5Å; K482-K486 PolarHBondContact O-N 3.16Å; L483-K486 CarbonylContact O-C 3.34Å; L483-K486 WeakPolarHBondContact O-CA 3.22Å; L483-K486 WeakPolarHBondContact O-CB 3.19Å; L483-K486 PolarHBondContact O-N 3.28Å; L483-K486 VanDerWaalsContact O-N 3.14Å; E484-K486 PolarHBondContact O-N 2.92Å; K486-V488 PolarHBondContact O-N 3.35Å; K486-L489 PolarHBondContact O-N 2.78Å; K486-L489 VanDerWaalsContact O-N 3.13Å; K486-E490 HydrophobicContact CG-CG 4.1Å; K486-E490 WeakPolarHBondContact O-CB 3.24Å; K486-E490 WeakPolarHBondContact O-CG 3.2Å; K486-E490 PolarHBondContact O-N 2.77Å
487	L	79.5	Confident	79.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.1	-43.7	177.9	-167.3	67.8	0	0	0	110.6	L447 L450 K451 L483 E484 L489 E490 T491 I587 Y623	L447-L487 HydrophobicContact CD1-CD1 3.62Å; L447-L487 HydrophobicContact CG-CD1 4.35Å; L450-L487 HydrophobicContact CB-CD1 4.43Å; L450-L487 HydrophobicContact CD2-CB 4.1Å; L450-L487 HydrophobicContact CD2-CD1 3.87Å; L450-L487 HydrophobicContact CG-CD1 4.04Å; K451-L487 HydrophobicContact CG-CD1 3.88Å; L483-L487 PolarHBondContact O-N 2.83Å; E484-L487 WeakPolarHBondContact O-CB 3.48Å; E484-L487 PolarHBondContact O-N 2.79Å; L487-L489 PolarHBondContact O-N 3.29Å; L487-E490 PolarHBondContact O-N 3.1Å; L487-T491 WeakPolarHBondContact O-CB 3.44Å; L487-T491 PolarHBondContact O-N 2.9Å; L487-T491 PolarHBondContact O-OG1 2.84Å; L487-I587 HydrophobicContact CB-CD1 3.93Å; L487-I587 HydrophobicContact CB-CG2 4.34Å; L487-I587 HydrophobicContact CD2-CD1 3.64Å; L487-I587 HydrophobicContact CD2-CG1 3.88Å; L487-I587 HydrophobicContact CD2-CG2 4.15Å; L487-I587 HydrophobicContact CG-CD1 3.6Å; L487-I587 HydrophobicContact CG-CG1 4.4Å; L487-Y623 HydrophobicContact CD2-CD1 4.08Å; L487-Y623 HydrophobicContact CD2-CG 4.41Å
488	V	77.3	Confident	80.5	Confident	6 Å²	6	34.3 Å²	34.3	4%	0.036	19%	0.185	C	C	.	.	H	α-helix	trans	-56.6	-34.8	173.8	175.2	0	0	0	0	112.9	L362 E484 K486 P492 I587	L362-V488 HydrophobicContact CD1-CG1 4.21Å; E484-V488 WeakPolarHBondContact O-CG2 3.45Å; E484-V488 PolarHBondContact O-N 3.33Å; K486-V488 PolarHBondContact O-N 3.35Å; V488-P492 WeakPolarHBondContact O-CD 3.41Å; V488-I587 HydrophobicContact CG2-CB 4.11Å; V488-I587 HydrophobicContact CG2-CD1 3.82Å; V488-I587 HydrophobicContact CG2-CG2 4.15Å
489	L	84	Confident	81.7	Confident	48 Å²	48	30.9 Å²	30.9	25%	0.251	16%	0.164	S	C	.	.	H	α-helix	trans	-79.9	-40.9	178.5	-69.2	173.3	0	0	0	112.8	V351 R360 L362 G485 K486 L487	V351-L489 HydrophobicContact CG1-CD2 4.36Å; V351-L489 HydrophobicContact CG2-CD2 4.31Å; R360-L489 HydrophobicContact CB-CB 4.38Å; R360-L489 WeakPolarHBondContact CD-O 3.39Å; R360-L489 PolarHBondContact NH1-O 2.88Å; L362-L489 HydrophobicContact CB-CD2 3.99Å; L362-L489 HydrophobicContact CD1-CD2 4.49Å; G485-L489 WeakPolarHBondContact O-CG 3.44Å; G485-L489 PolarHBondContact O-N 3.09Å; K486-L489 PolarHBondContact O-N 2.78Å; K486-L489 VanDerWaalsContact O-N 3.13Å; L487-L489 PolarHBondContact O-N 3.29Å
490	E	83.5	Confident	82.4	Confident	63 Å²	63	30.3 Å²	30.3	29%	0.294	16%	0.158	S	C	.	.	H	α-helix	trans	-84.2	-27	-174	-64.7	-57.7	150.7	0	0	113.1	R360 L447 K486 L487 Q493	R360-E490 VanDerWaalsContact CD-CD 3.43Å; R360-E490 WeakPolarHBondContact CD-OE1 3.46Å; R360-E490 WeakPolarHBondContact CD-OE2 3.49Å; R360-E490 IonicContact CZ-OE2 3.33Å; R360-E490 IonicContact NE-OE1 3.57Å; R360-E490 IonicContact NE-OE2 3.62Å; R360-E490 PolarHBondContact NE-OE2 3.17Å; R360-E490 PolarHBondContact NH1-O 3.36Å; R360-E490 IonicContact NH2-OE2 2.66Å; L447-E490 HydrophobicContact CD1-CB 4.05Å; K486-E490 HydrophobicContact CG-CG 4.1Å; K486-E490 WeakPolarHBondContact O-CB 3.24Å; K486-E490 WeakPolarHBondContact O-CG 3.2Å; K486-E490 PolarHBondContact O-N 2.77Å; L487-E490 PolarHBondContact O-N 3.1Å; E490-Q493 PolarHBondContact O-NE2 2.84Å
491	T	79.3	Confident	82.9	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.012	19%	0.186	C	C	.	.	S	Bend	trans	-60.5	-45.3	-176.4	-75.9	0	0	0	0	114.2	L487 Q493 V583 Q625	L487-T491 WeakPolarHBondContact O-CB 3.44Å; L487-T491 PolarHBondContact O-N 2.9Å; L487-T491 PolarHBondContact O-OG1 2.84Å; T491-Q493 WeakPolarHBondContact O-CG 3.38Å; T491-Q493 PolarHBondContact O-N 3.38Å; T491-V583 HydrophobicContact CG2-CG1 3.9Å; T491-Q625 HydrophobicContact CG2-CG 3.44Å; T491-Q625 VanDerWaalsContact CG2-CG 3.44Å; T491-Q625 PolarHBondContact O-NE2 3.06Å
492	P	83.9	Confident	83.8	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.006	19%	0.192	C	C	.	.			trans	-66.5	125.2	178.5	-25.8	38.1	0	0	0	112.6	V351 R360 V488 L509	V351-P492 HydrophobicContact CB-CG 4.45Å; V351-P492 HydrophobicContact CG2-CG 3.91Å; R360-P492 PolarHBondContact NH1-O 3.48Å; V488-P492 WeakPolarHBondContact O-CD 3.41Å; P492-L509 HydrophobicContact CB-CB 3.82Å
493	Q	83.5	Confident	84.2	Confident	37 Å²	37	33.2 Å²	33.2	17%	0.173	19%	0.187	C	C	.	.			trans	-124.7	-7.9	-177.1	-58.5	-62.6	-11.4	0	0	114.2	R432 V433 E490 T491	R432-Q493 WeakPolarHBondContact CA-O 3.4Å; V433-Q493 VanDerWaalsContact CB-OE1 3.24Å; V433-Q493 PolarHBondContact N-O 2.86Å; E490-Q493 PolarHBondContact O-NE2 2.84Å; T491-Q493 WeakPolarHBondContact O-CG 3.38Å; T491-Q493 PolarHBondContact O-N 3.38Å
494	L	85.3	Confident	84.6	Confident	13 Å²	13	36.3 Å²	36.3	7%	0.068	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	117.1	-176.2	-56.4	176.2	0	0	0	109.7	R432 L509 L510 T512 E513	R432-L494 HydrophobicContact CG-CD2 3.88Å; R432-L494 VanDerWaalsContact CZ-CD2 3.47Å; L494-L509 CarbonylContact O-C 3.52Å; L494-L509 VanDerWaalsContact O-CA 3.31Å; L494-L509 WeakPolarHBondContact O-CA 3.32Å; L494-L510 PolarHBondContact N-O 3.16Å; L494-L510 PolarHBondContact O-N 3.44Å; L494-T512 WeakPolarHBondContact CD1-O 3.25Å; L494-E513 HydrophobicContact CD1-CB 4.26Å
495	I	90	Very high	85.5	Confident	11 Å²	11	39.1 Å²	39.1	6%	0.056	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	127.3	-178.3	-58.9	166.4	0	0	0	108.8	S431 V433 P497 N507 I508 L509 R516	S431-I495 PolarHBondContact N-O 3.35Å; S431-I495 PolarHBondContact O-N 2.86Å; S431-I495 WeakPolarHBondContact OG-CB 3.43Å; S431-I495 WeakPolarHBondContact OG-CD1 3.46Å; V433-I495 HydrophobicContact CG2-CD1 4.13Å; V433-I495 HydrophobicContact CG2-CG1 4.14Å; I495-P497 HydrophobicContact CG2-CB 4.2Å; I495-P497 HydrophobicContact CG2-CG 4.36Å; I495-P497 WeakPolarHBondContact O-CD 3.33Å; I495-N507 HydrophobicContact CG2-CB 3.93Å; I495-I508 CarbonylContact C-O 3.59Å; I495-I508 WeakPolarHBondContact CA-O 3.49Å; I495-L509 HydrophobicContact CB-CD2 4.42Å; I495-L509 HydrophobicContact CD1-CD2 4.42Å; I495-L509 HydrophobicContact CG1-CD2 3.42Å; I495-L509 VanDerWaalsContact CG1-CD2 3.42Å; I495-R516 WeakPolarHBondContact O-CD 3.38Å; I495-R516 PolarHBondContact O-NH1 2.8Å
496	L	92.1	Very high	86.3	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	98.5	159.3	178.7	62.3	0	0	0	107.9	V498 I508 L510 R516 W519 R520 L523	L496-V498 HydrophobicContact CG-CG2 4.42Å; L496-I508 HydrophobicContact CB-CB 4.44Å; L496-I508 PolarHBondContact N-O 3.47Å; L496-I508 PolarHBondContact O-N 3.02Å; L496-I508 VanDerWaalsContact O-N 3.11Å; L496-L510 HydrophobicContact CB-CD1 4.05Å; L496-L510 HydrophobicContact CD2-CD1 4.16Å; L496-R516 HydrophobicContact CB-CG 4.27Å; L496-R516 HydrophobicContact CD1-CG 4.47Å; L496-W519 HydrophobicContact CD2-CB 3.6Å; L496-W519 HydrophobicContact CD2-CG 4.49Å; L496-R520 HydrophobicContact CD1-CB 4.19Å; L496-R520 HydrophobicContact CD1-CG 4.47Å; L496-L523 HydrophobicContact CD2-CD1 4.17Å
497	P	91.9	Very high	86.7	Confident	5 Å²	5	35.1 Å²	35.1	3%	0.032	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	121.9	-178.2	27.7	-24.9	0	0	0	111.2	L428 S429 I495 I505	L428-P497 HydrophobicContact CB-CB 3.98Å; L428-P497 HydrophobicContact CB-CG 3.75Å; L428-P497 HydrophobicContact CD1-CB 4.38Å; L428-P497 PolarHBondContact N-O 2.86Å; L428-P497 VanDerWaalsContact N-O 3.15Å; S429-P497 WeakPolarHBondContact O-CG 3.09Å; I495-P497 HydrophobicContact CG2-CB 4.2Å; I495-P497 HydrophobicContact CG2-CG 4.36Å; I495-P497 WeakPolarHBondContact O-CD 3.33Å; P497-I505 HydrophobicContact CB-CG2 4.01Å
498	V	92.7	Very high	87.4	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.1	176.8	-174.4	0	0	0	0	108.8	L372 I420 M425 L427 L496 H506 I508 L523	L372-V498 HydrophobicContact CD2-CG1 4.35Å; I420-V498 HydrophobicContact CD1-CG1 3.72Å; M425-V498 HydrophobicContact CE-CG1 3.94Å; M425-V498 HydrophobicContact CG-CG1 3.46Å; M425-V498 VanDerWaalsContact CG-CG1 3.46Å; M425-V498 HydrophobicContact SD-CG1 3.6Å; L427-V498 HydrophobicContact CD2-CG2 4.1Å; L496-V498 HydrophobicContact CG-CG2 4.42Å; V498-H506 PolarHBondContact N-O 3.11Å; V498-H506 PolarHBondContact O-N 3.42Å; V498-I508 HydrophobicContact CG2-CD1 3.89Å; V498-L523 HydrophobicContact CG2-CD1 4.4Å
499	A	90.8	Very high	88	Confident	5 Å²	5	35 Å²	35	4%	0.041	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	139.6	178.7	0	0	0	0	0	111.4	M425 S426 L428 H504 I505	M425-A499 WeakPolarHBondContact CA-O 3.39Å; S426-A499 PolarHBondContact N-O 2.83Å; S426-A499 PolarHBondContact O-N 2.8Å; S426-A499 WeakPolarHBondContact OG-CB 3.31Å; L428-A499 HydrophobicContact CD1-CB 4.16Å; L428-A499 HydrophobicContact CG-CB 4.33Å; A499-H504 WeakPolarHBondContact CA-O 3.34Å; A499-I505 HydrophobicContact CB-CG1 4.34Å
500	D	90	Very high	88.1	Confident	31 Å²	31	32.8 Å²	32.8	17%	0.166	18%	0.179	C	C	.	.			trans	-88.1	173.9	173.2	73.4	15.5	0	0	0	112.2	I420 E424 S502 G503 H504 H506	I420-D500 HydrophobicContact CD1-CB 4.23Å; I420-D500 HydrophobicContact CG1-CB 4.19Å; I420-D500 HydrophobicContact CG2-CB 4.21Å; E424-D500 CarbonylContact O-C 3.59Å; E424-D500 VanDerWaalsContact O-C 3.29Å; E424-D500 WeakPolarHBondContact O-CA 3.31Å; D500-S502 PolarHBondContact O-N 2.81Å; D500-S502 VanDerWaalsContact O-N 3.07Å; D500-S502 VanDerWaalsContact OD1-C 3.32Å; D500-S502 VanDerWaalsContact OD1-CA 3.27Å; D500-S502 WeakPolarHBondContact OD1-CA 3.38Å; D500-S502 WeakPolarHBondContact OD1-CB 3.5Å; D500-S502 PolarHBondContact OD1-N 3.29Å; D500-S502 PolarHBondContact OD1-OG 3.38Å; D500-S502 PolarHBondContact OD2-OG 2.84Å; D500-G503 PolarHBondContact O-N 2.91Å; D500-G503 PolarHBondContact OD1-N 2.85Å; D500-H504 PolarHBondContact N-O 2.89Å; D500-H504 VanDerWaalsContact N-O 3.09Å; D500-H504 PolarHBondContact OD1-N 2.82Å; D500-H504 IonicContact OD1-ND1 2.69Å; D500-H504 IonicContact OD2-CG 3.71Å; D500-H504 IonicContact OD2-ND1 3.17Å; D500-H506 IonicContact OD2-NE2 3.69Å
501	K	85.4	Confident	87.8	Confident	150 Å²	150	30.7 Å²	30.7	65%	0.652	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.7	177.1	61.7	166.4	170.4	-149.7	0	114.8	E424 G503	E424-K501 HydrophobicContact CB-CB 3.93Å; E424-K501 HydrophobicContact CB-CG 4.19Å; E424-K501 HydrophobicContact CG-CB 4.21Å; E424-K501 HydrophobicContact CG-CD 4.05Å; E424-K501 HydrophobicContact CG-CG 4.29Å; E424-K501 PolarHBondContact O-N 2.9Å; E424-K501 IonicContact OE1-NZ 3.99Å; E424-K501 PolarHBondContact OE1-NZ 2.81Å; E424-K501 WeakPolarHBondContact OE2-CD 3.27Å; E424-K501 WeakPolarHBondContact OE2-CE 3.45Å; E424-K501 WeakPolarHBondContact OE2-CG 3.35Å; E424-K501 IonicContact OE2-NZ 3.87Å; E424-K501 PolarHBondContact OE2-NZ 3.2Å; K501-G503 VanDerWaalsContact C-N 3.31Å
502	S	85.8	Confident	87.5	Confident	72 Å²	72	31.2 Å²	31.2	50%	0.503	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	1.6	179	56.3	0	0	0	0	112.9	D500 H504	D500-S502 PolarHBondContact O-N 2.81Å; D500-S502 VanDerWaalsContact O-N 3.07Å; D500-S502 VanDerWaalsContact OD1-C 3.32Å; D500-S502 VanDerWaalsContact OD1-CA 3.27Å; D500-S502 WeakPolarHBondContact OD1-CA 3.38Å; D500-S502 WeakPolarHBondContact OD1-CB 3.5Å; D500-S502 PolarHBondContact OD1-N 3.29Å; D500-S502 PolarHBondContact OD1-OG 3.38Å; D500-S502 PolarHBondContact OD2-OG 2.84Å; S502-H504 VanDerWaalsContact C-N 3.28Å; S502-H504 PolarHBondContact OG-ND1 2.83Å
503	G	83.4	Confident	86.9	Confident	54 Å²	54	34.7 Å²	34.7	56%	0.557	19%	0.191	S	C	*	.			trans	78.6	8.2	-178.3	0	0	0	0	0	113.7	D500 K501 I505	D500-G503 PolarHBondContact O-N 2.91Å; D500-G503 PolarHBondContact OD1-N 2.85Å; K501-G503 VanDerWaalsContact C-N 3.31Å; G503-I505 PolarHBondContact O-N 2.89Å
504	H	88.8	Confident	86.3	Confident	111 Å²	111	33.8 Å²	33.8	51%	0.514	19%	0.186	S	C	.	.			trans	-72	124.2	173.1	-66	99.2	0	0	0	109.3	A499 D500 S502	A499-H504 WeakPolarHBondContact CA-O 3.34Å; D500-H504 PolarHBondContact N-O 2.89Å; D500-H504 VanDerWaalsContact N-O 3.09Å; D500-H504 PolarHBondContact OD1-N 2.82Å; D500-H504 IonicContact OD1-ND1 2.69Å; D500-H504 IonicContact OD2-CG 3.71Å; D500-H504 IonicContact OD2-ND1 3.17Å; S502-H504 VanDerWaalsContact C-N 3.28Å; S502-H504 PolarHBondContact OG-ND1 2.83Å
505	I	90.2	Very high	86	Confident	71 Å²	71	35 Å²	35	36%	0.364	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121	178.9	-54.3	173.5	0	0	0	109.2	S355 L428 P497 A499 G503	S355-I505 PolarHBondContact OG-O 3.18Å; L428-I505 HydrophobicContact CD1-CD1 3.63Å; L428-I505 HydrophobicContact CD1-CG1 3.81Å; L428-I505 HydrophobicContact CD1-CG2 4.02Å; P497-I505 HydrophobicContact CB-CG2 4.01Å; A499-I505 HydrophobicContact CB-CG1 4.34Å; G503-I505 PolarHBondContact O-N 2.89Å
506	H	91.9	Very high	85.7	Confident	26 Å²	26	35.3 Å²	35.3	12%	0.12	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	109.7	171.9	-60.9	-85.5	0	0	0	109.3	W418 V498 D500 I508	W418-H506 AromaticContact CD1-CE1 3.5Å; W418-H506 VanDerWaalsContact CD1-CE1 3.5Å; W418-H506 AromaticContact CD1-ND1 3.37Å; W418-H506 AromaticContact CD2-CE1 3.71Å; W418-H506 AromaticContact CD2-ND1 3.55Å; W418-H506 AromaticContact CE2-CE1 3.97Å; W418-H506 AromaticContact CE2-CG 3.77Å; W418-H506 AromaticContact CE2-ND1 3.33Å; W418-H506 VanDerWaalsContact CE2-ND1 3.33Å; W418-H506 AromaticContact CG-CE1 3.4Å; W418-H506 VanDerWaalsContact CG-CE1 3.4Å; W418-H506 AromaticContact CG-ND1 3.58Å; W418-H506 HydrophobicContact CH2-CB 4.2Å; W418-H506 HydrophobicContact CZ2-CB 3.8Å; W418-H506 AromaticContact CZ2-ND1 3.99Å; W418-H506 AromaticContact NE1-CE1 3.82Å; W418-H506 AromaticContact NE1-ND1 3.19Å; W418-H506 PolarHBondContact NE1-ND1 3.47Å; W418-H506 VanDerWaalsContact NE1-ND1 3.19Å; V498-H506 PolarHBondContact N-O 3.11Å; V498-H506 PolarHBondContact O-N 3.42Å; D500-H506 IonicContact OD2-NE2 3.69Å; H506-I508 PolarHBondContact O-N 3.17Å
507	N	92.5	Very high	85	Confident	31 Å²	31	38.7 Å²	38.7	17%	0.166	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	102	-179.2	-67.9	-45.8	0	0	0	110.1	L353 I495	L353-N507 HydrophobicContact CB-CB 3.95Å; L353-N507 PolarHBondContact N-O 3.28Å; I495-N507 HydrophobicContact CG2-CB 3.93Å
508	I	92.7	Very high	84.5	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.8	176.2	-59.2	157.3	0	0	0	108.2	V350 L365 W418 I495 L496 V498 H506 L510	V350-I508 HydrophobicContact CB-CG2 3.86Å; V350-I508 HydrophobicContact CG1-CG2 4.01Å; V350-I508 HydrophobicContact CG2-CG2 3.89Å; L365-I508 HydrophobicContact CD1-CD1 4.32Å; L365-I508 HydrophobicContact CD2-CD1 3.72Å; L365-I508 HydrophobicContact CD2-CG2 4.38Å; W418-I508 HydrophobicContact CH2-CD1 4.24Å; I495-I508 CarbonylContact C-O 3.59Å; I495-I508 WeakPolarHBondContact CA-O 3.49Å; L496-I508 HydrophobicContact CB-CB 4.44Å; L496-I508 PolarHBondContact N-O 3.47Å; L496-I508 PolarHBondContact O-N 3.02Å; L496-I508 VanDerWaalsContact O-N 3.11Å; V498-I508 HydrophobicContact CG2-CD1 3.89Å; H506-I508 PolarHBondContact O-N 3.17Å; I508-L510 HydrophobicContact CG2-CD2 4.14Å; I508-L510 HydrophobicContact CG2-CG 4.25Å
509	L	90.3	Very high	84.3	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.5	175.2	-59.6	171.3	0	0	0	110.1	V351 L353 R360 V433 P492 L494 I495	V351-L509 HydrophobicContact CB-CB 4.08Å; V351-L509 HydrophobicContact CB-CD1 4.34Å; V351-L509 HydrophobicContact CG1-CD1 3.9Å; V351-L509 PolarHBondContact N-O 3.13Å; V351-L509 WeakPolarHBondContact O-CA 3.43Å; V351-L509 VanDerWaalsContact O-CB 3.23Å; V351-L509 WeakPolarHBondContact O-CB 3.32Å; V351-L509 PolarHBondContact O-N 3.17Å; L353-L509 HydrophobicContact CB-CD1 4Å; L353-L509 HydrophobicContact CB-CG 4.18Å; R360-L509 HydrophobicContact CG-CD1 4.12Å; V433-L509 HydrophobicContact CG2-CD1 4.34Å; V433-L509 HydrophobicContact CG2-CD2 3.36Å; P492-L509 HydrophobicContact CB-CB 3.82Å; L494-L509 CarbonylContact O-C 3.52Å; L494-L509 VanDerWaalsContact O-CA 3.31Å; L494-L509 WeakPolarHBondContact O-CA 3.32Å; I495-L509 HydrophobicContact CB-CD2 4.42Å; I495-L509 HydrophobicContact CD1-CD2 4.42Å; I495-L509 HydrophobicContact CG1-CD2 3.42Å; I495-L509 VanDerWaalsContact CG1-CD2 3.42Å
510	L	87.3	Confident	84.2	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	154.2	178.6	-62	170.7	0	0	0	109.6	V350 L494 L496 I508 E515 R516 W519	V350-L510 HydrophobicContact CB-CD2 4.49Å; V350-L510 HydrophobicContact CG1-CD2 3.7Å; L494-L510 PolarHBondContact N-O 3.16Å; L494-L510 PolarHBondContact O-N 3.44Å; L496-L510 HydrophobicContact CB-CD1 4.05Å; L496-L510 HydrophobicContact CD2-CD1 4.16Å; I508-L510 HydrophobicContact CG2-CD2 4.14Å; I508-L510 HydrophobicContact CG2-CG 4.25Å; L510-E515 HydrophobicContact CB-CB 4.21Å; L510-E515 HydrophobicContact CD2-CB 4.45Å; L510-R516 HydrophobicContact CB-CB 4.49Å; L510-R516 HydrophobicContact CD1-CB 3.77Å; L510-R516 HydrophobicContact CD1-CG 4.18Å; L510-W519 HydrophobicContact CD1-CB 4.31Å; L510-W519 HydrophobicContact CD1-CG 4.37Å
511	S	75.6	Confident	83.8	Confident	19 Å²	19	44.9 Å²	44.9	13%	0.133	24%	0.241	C	C	.	.	S	Bend	trans	-83.6	-35	-171.1	-43	0	0	0	0	111	E515 V583	S511-E515 WeakPolarHBondContact CB-OE2 3.14Å; S511-E515 PolarHBondContact N-OE2 2.94Å; S511-E515 PolarHBondContact OG-OE2 3.33Å; S511-V583 WeakPolarHBondContact OG-CG2 3.37Å
512	T	73.6	Confident	83.8	Confident	14 Å²	14	38 Å²	38	9%	0.086	21%	0.213	C	C	.	.	S	Bend	trans	-130.3	154.2	-175.4	67.1	0	0	0	0	112.5	L494 R514 E515 R516 Y626	L494-T512 WeakPolarHBondContact CD1-O 3.25Å; T512-R514 PolarHBondContact O-N 2.67Å; T512-E515 PolarHBondContact O-N 3.29Å; T512-E515 WeakPolarHBondContact OG1-CG 3Å; T512-E515 PolarHBondContact OG1-N 3.25Å; T512-E515 VanDerWaalsContact OG1-N 3.09Å; T512-R516 PolarHBondContact O-N 3.17Å; T512-R516 VanDerWaalsContact O-N 3.16Å; T512-Y626 HydrophobicContact CG2-CD2 3.33Å; T512-Y626 HydrophobicContact CG2-CE2 3.88Å; T512-Y626 HydrophobicContact CG2-CG 4.16Å
513	E	71.5	Confident	84	Confident	74 Å²	74	34.6 Å²	34.6	35%	0.346	19%	0.189	S	C	.	.	H	α-helix	trans	-64.3	-30.2	176.3	-165.7	64.8	-129.5	0	0	111	R432 L494 R516 T517	R432-E513 IonicContact NH2-OE2 3.5Å; L494-E513 HydrophobicContact CD1-CB 4.26Å; E513-R516 PolarHBondContact O-N 2.82Å; E513-R516 IonicContact OE1-CZ 3.37Å; E513-R516 IonicContact OE1-NE 2.7Å; E513-R516 PolarHBondContact OE1-NE 3.3Å; E513-R516 IonicContact OE1-NH2 3.8Å; E513-R516 PolarHBondContact OE1-NH2 3.27Å; E513-R516 IonicContact OE2-CZ 3.56Å; E513-R516 IonicContact OE2-NE 3.76Å; E513-R516 IonicContact OE2-NH2 3.64Å; E513-R516 PolarHBondContact OE2-NH2 2.92Å; E513-T517 WeakPolarHBondContact O-CB 3.46Å; E513-T517 PolarHBondContact O-N 3.37Å; E513-T517 PolarHBondContact O-OG1 3.23Å
514	R	71.7	Confident	84.2	Confident	18 Å²	18	35.4 Å²	35.4	7%	0.068	18%	0.178	C	C	.	.	H	α-helix	trans	-57.9	-55.6	171.2	177.3	-166.2	-63.8	173.7	33.4	112	T512 R516 T517 H518 E619 C657 E669 E671	T512-R514 PolarHBondContact O-N 2.67Å; R514-R516 PolarHBondContact O-N 3.07Å; R514-T517 PolarHBondContact O-N 3.39Å; R514-T517 VanDerWaalsContact O-N 3.16Å; R514-H518 WeakPolarHBondContact CG-CE1 3.23Å; R514-H518 PolarHBondContact O-N 3.19Å; R514-H518 PolarHBondContact O-ND1 3Å; R514-E619 IonicContact NH2-OE2 2.68Å; R514-C657 PolarHBondContact NH1-SG 2.97Å; R514-C657 VanDerWaalsContact NH1-SG 3.38Å; R514-C657 PolarHBondContact NH2-SG 3.39Å; R514-E669 WeakPolarHBondContact CD-OE1 3.44Å; R514-E669 WeakPolarHBondContact CD-OE2 3.44Å; R514-E669 VanDerWaalsContact CZ-CD 3.5Å; R514-E669 IonicContact CZ-OE1 3.95Å; R514-E669 IonicContact CZ-OE2 2.69Å; R514-E669 VanDerWaalsContact NE-CD 3.31Å; R514-E669 IonicContact NE-OE1 2.99Å; R514-E669 PolarHBondContact NE-OE1 2.69Å; R514-E669 IonicContact NE-OE2 3.4Å; R514-E669 PolarHBondContact NE-OE2 2.73Å; R514-E669 VanDerWaalsContact NH1-CD 3.29Å; R514-E669 IonicContact NH1-OE1 2.77Å; R514-E669 PolarHBondContact NH1-OE1 3Å; R514-E669 IonicContact NH1-OE2 3.18Å; R514-E669 PolarHBondContact NH1-OE2 3.1Å; R514-E671 IonicContact NH1-OE2 3.74Å
515	E	77.6	Confident	83.8	Confident	39 Å²	39	33.3 Å²	33.3	18%	0.182	17%	0.168	C	C	.	.	H	α-helix	trans	-54.7	-44.1	176	-77.6	179.7	162	0	0	110.7	L510 S511 T512 H518 W519	L510-E515 HydrophobicContact CB-CB 4.21Å; L510-E515 HydrophobicContact CD2-CB 4.45Å; S511-E515 WeakPolarHBondContact CB-OE2 3.14Å; S511-E515 PolarHBondContact N-OE2 2.94Å; S511-E515 PolarHBondContact OG-OE2 3.33Å; T512-E515 PolarHBondContact O-N 3.29Å; T512-E515 WeakPolarHBondContact OG1-CG 3Å; T512-E515 PolarHBondContact OG1-N 3.25Å; T512-E515 VanDerWaalsContact OG1-N 3.09Å; E515-H518 PolarHBondContact O-N 2.81Å; E515-W519 VanDerWaalsContact O-CD1 3.23Å; E515-W519 PolarHBondContact O-N 3.1Å
516	R	84.1	Confident	83.6	Confident	16 Å²	16	31.2 Å²	31.2	6%	0.06	16%	0.158	C	C	.	.	H	α-helix	trans	-63	-42.8	178.7	-174.4	163.5	69.8	170.1	4.8	113.1	N430 S431 I495 L496 L510 T512 E513 R514 R520	N430-R516 PolarHBondContact ND2-NE 3.02Å; S431-R516 PolarHBondContact O-NH1 3.09Å; I495-R516 WeakPolarHBondContact O-CD 3.38Å; I495-R516 PolarHBondContact O-NH1 2.8Å; L496-R516 HydrophobicContact CB-CG 4.27Å; L496-R516 HydrophobicContact CD1-CG 4.47Å; L510-R516 HydrophobicContact CB-CB 4.49Å; L510-R516 HydrophobicContact CD1-CB 3.77Å; L510-R516 HydrophobicContact CD1-CG 4.18Å; T512-R516 PolarHBondContact O-N 3.17Å; T512-R516 VanDerWaalsContact O-N 3.16Å; E513-R516 PolarHBondContact O-N 2.82Å; E513-R516 IonicContact OE1-CZ 3.37Å; E513-R516 IonicContact OE1-NE 2.7Å; E513-R516 PolarHBondContact OE1-NE 3.3Å; E513-R516 IonicContact OE1-NH2 3.8Å; E513-R516 PolarHBondContact OE1-NH2 3.27Å; E513-R516 IonicContact OE2-CZ 3.56Å; E513-R516 IonicContact OE2-NE 3.76Å; E513-R516 IonicContact OE2-NH2 3.64Å; E513-R516 PolarHBondContact OE2-NH2 2.92Å; R514-R516 PolarHBondContact O-N 3.07Å; R516-R520 WeakPolarHBondContact O-CB 3.4Å; R516-R520 PolarHBondContact O-N 3.14Å
517	T	78.4	Confident	83.2	Confident	72 Å²	72	32.7 Å²	32.7	44%	0.442	17%	0.166	S	C	.	.	H	α-helix	trans	-66	-43.3	178	-56.3	0	0	0	0	111.1	E513 R514 R520 S521	E513-T517 WeakPolarHBondContact O-CB 3.46Å; E513-T517 PolarHBondContact O-N 3.37Å; E513-T517 PolarHBondContact O-OG1 3.23Å; R514-T517 PolarHBondContact O-N 3.39Å; R514-T517 VanDerWaalsContact O-N 3.16Å; T517-R520 PolarHBondContact O-N 3.39Å; T517-S521 VanDerWaalsContact O-CB 3.28Å; T517-S521 WeakPolarHBondContact O-CB 3.31Å; T517-S521 PolarHBondContact O-N 3.32Å
518	H	80.2	Confident	82.1	Confident	66 Å²	66	37.6 Å²	37.6	31%	0.306	19%	0.193	S	C	.	.	H	α-helix	trans	-61.8	-48.6	176.6	-67.7	146.2	0	0	0	112.3	M346 R514 E515 R520 A522	M346-H518 HydrophobicContact CE-CB 3.82Å; R514-H518 WeakPolarHBondContact CG-CE1 3.23Å; R514-H518 PolarHBondContact O-N 3.19Å; R514-H518 PolarHBondContact O-ND1 3Å; E515-H518 PolarHBondContact O-N 2.81Å; H518-R520 PolarHBondContact O-N 2.97Å; H518-A522 WeakPolarHBondContact O-CB 3.32Å; H518-A522 PolarHBondContact O-N 3.19Å
519	W	88.3	Confident	80.3	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-44	176.3	-86.6	103.4	0	0	0	112	M346 S348 L365 L367 L372 L496 L510 E515 A522 L523	M346-W519 HydrophobicContact CB-CH2 4.29Å; M346-W519 HydrophobicContact CB-CZ3 4.41Å; M346-W519 HydrophobicContact CE-CD2 4.23Å; M346-W519 HydrophobicContact CE-CG 4.19Å; M346-W519 HydrophobicContact CG-CH2 4.12Å; M346-W519 HydrophobicContact CG-CZ2 4.06Å; M346-W519 HydrophobicContact CG-CZ3 4.42Å; M346-W519 HydrophobicContact SD-CD2 3.68Å; M346-W519 HydrophobicContact SD-CE3 3.89Å; M346-W519 HydrophobicContact SD-CG 4.09Å; M346-W519 HydrophobicContact SD-CH2 4.4Å; M346-W519 HydrophobicContact SD-CZ2 4.22Å; M346-W519 HydrophobicContact SD-CZ3 4.26Å; S348-W519 WeakPolarHBondContact OG-CZ2 3.48Å; S348-W519 PolarHBondContact OG-NE1 3.26Å; L365-W519 HydrophobicContact CB-CH2 3.83Å; L365-W519 HydrophobicContact CB-CZ2 4.13Å; L365-W519 HydrophobicContact CD2-CD2 4.16Å; L365-W519 HydrophobicContact CD2-CE3 3.79Å; L365-W519 HydrophobicContact CD2-CH2 3.52Å; L365-W519 HydrophobicContact CD2-CZ2 3.89Å; L365-W519 HydrophobicContact CD2-CZ3 3.44Å; L365-W519 VanDerWaalsContact CD2-CZ3 3.44Å; L365-W519 HydrophobicContact CG-CH2 3.62Å; L365-W519 HydrophobicContact CG-CZ2 4.26Å; L365-W519 HydrophobicContact CG-CZ3 3.81Å; L367-W519 HydrophobicContact CB-CH2 4.46Å; L367-W519 HydrophobicContact CB-CZ3 3.92Å; L367-W519 HydrophobicContact CD2-CZ3 4.5Å; L372-W519 HydrophobicContact CD1-CZ3 4.03Å; L496-W519 HydrophobicContact CD2-CB 3.6Å; L496-W519 HydrophobicContact CD2-CG 4.49Å; L510-W519 HydrophobicContact CD1-CB 4.31Å; L510-W519 HydrophobicContact CD1-CG 4.37Å; E515-W519 VanDerWaalsContact O-CD1 3.23Å; E515-W519 PolarHBondContact O-N 3.1Å; W519-A522 PolarHBondContact O-N 3.37Å; W519-L523 WeakPolarHBondContact O-CB 3.44Å; W519-L523 WeakPolarHBondContact O-CD1 3.49Å; W519-L523 WeakPolarHBondContact O-CG 3.49Å; W519-L523 PolarHBondContact O-N 2.94Å
520	R	88.2	Confident	77.8	Confident	53 Å²	53	47.2 Å²	47.2	20%	0.2	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-48.8	179.7	-173.5	173.4	-175.1	95.5	16.4	111.7	L428 N430 L496 R516 T517 H518 A522 L523 E524	L428-R520 PolarHBondContact O-NH1 2.89Å; N430-R520 PolarHBondContact OD1-NH1 2.97Å; L496-R520 HydrophobicContact CD1-CB 4.19Å; L496-R520 HydrophobicContact CD1-CG 4.47Å; R516-R520 WeakPolarHBondContact O-CB 3.4Å; R516-R520 PolarHBondContact O-N 3.14Å; T517-R520 PolarHBondContact O-N 3.39Å; H518-R520 PolarHBondContact O-N 2.97Å; R520-A522 PolarHBondContact O-N 2.95Å; R520-L523 PolarHBondContact O-N 3.15Å; R520-L523 VanDerWaalsContact O-N 3.16Å; R520-E524 HydrophobicContact CG-CG 4.28Å; R520-E524 WeakPolarHBondContact CG-OE1 3.18Å; R520-E524 IonicContact CZ-OE1 3.94Å; R520-E524 IonicContact NE-OE1 3.19Å; R520-E524 PolarHBondContact NE-OE1 3.26Å; R520-E524 IonicContact NH2-OE1 2.75Å; R520-E524 PolarHBondContact NH2-OE1 3.3Å; R520-E524 VanDerWaalsContact NH2-OE1 3.11Å; R520-E524 WeakPolarHBondContact O-CB 3.49Å; R520-E524 WeakPolarHBondContact O-CG 3.36Å; R520-E524 PolarHBondContact O-N 2.78Å
521	S	83.1	Confident	75.4	Confident	47 Å²	47	52.7 Å²	52.7	33%	0.329	28%	0.281	S	S	.	.	H	α-helix	trans	-60.2	-43.5	177.8	-179.1	0	0	0	0	111.8	T517 L523 E524 Q525	T517-S521 VanDerWaalsContact O-CB 3.28Å; T517-S521 WeakPolarHBondContact O-CB 3.31Å; T517-S521 PolarHBondContact O-N 3.32Å; S521-L523 VanDerWaalsContact C-N 3.31Å; S521-L523 PolarHBondContact O-N 3.47Å; S521-E524 PolarHBondContact O-N 2.87Å; S521-Q525 WeakPolarHBondContact O-CB 3.47Å; S521-Q525 WeakPolarHBondContact O-CG 3.3Å; S521-Q525 PolarHBondContact O-N 3.23Å; S521-Q525 PolarHBondContact OG-NE2 3.18Å; S521-Q525 VanDerWaalsContact OG-NE2 3.13Å
522	A	84.9	Confident	73.4	Confident	6 Å²	6	60 Å²	60	5%	0.05	31%	0.313	C	S	.	.	H	α-helix	trans	-62.3	-36.8	176.4	0	0	0	0	0	112.8	M346 L367 H518 W519 R520 L526	M346-A522 HydrophobicContact SD-CB 4.11Å; L367-A522 HydrophobicContact CD2-CB 3.87Å; H518-A522 WeakPolarHBondContact O-CB 3.32Å; H518-A522 PolarHBondContact O-N 3.19Å; W519-A522 PolarHBondContact O-N 3.37Å; R520-A522 PolarHBondContact O-N 2.95Å; A522-L526 WeakPolarHBondContact O-CG 3.18Å
523	L	90	Very high	71.4	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-72.8	-46.2	176.1	-68	167.8	0	0	0	111.6	L367 L372 M422 M425 L427 L496 V498 W519 R520 S521 Q525 L526 L527	L367-L523 HydrophobicContact CD1-CD2 3.65Å; L367-L523 HydrophobicContact CD2-CD2 4.12Å; L372-L523 HydrophobicContact CD1-CD2 4.48Å; L372-L523 HydrophobicContact CD2-CD2 4.33Å; M422-L523 HydrophobicContact CE-CD2 4.2Å; M425-L523 HydrophobicContact CE-CD2 4.22Å; M425-L523 HydrophobicContact SD-CD2 3.85Å; L427-L523 HydrophobicContact CD1-CB 3.87Å; L427-L523 HydrophobicContact CD2-CB 4.12Å; L427-L523 HydrophobicContact CD2-CD1 3.79Å; L427-L523 HydrophobicContact CG-CB 4.5Å; L496-L523 HydrophobicContact CD2-CD1 4.17Å; V498-L523 HydrophobicContact CG2-CD1 4.4Å; W519-L523 WeakPolarHBondContact O-CB 3.44Å; W519-L523 WeakPolarHBondContact O-CD1 3.49Å; W519-L523 WeakPolarHBondContact O-CG 3.49Å; W519-L523 PolarHBondContact O-N 2.94Å; R520-L523 PolarHBondContact O-N 3.15Å; R520-L523 VanDerWaalsContact O-N 3.16Å; S521-L523 VanDerWaalsContact C-N 3.31Å; S521-L523 PolarHBondContact O-N 3.47Å; L523-Q525 PolarHBondContact O-N 3.47Å; L523-L526 PolarHBondContact O-N 3Å; L523-L526 VanDerWaalsContact O-N 3.14Å; L523-L527 VanDerWaalsContact O-CG 3.3Å; L523-L527 WeakPolarHBondContact O-CG 3.23Å; L523-L527 PolarHBondContact O-N 2.69Å
524	E	86.5	Confident	69.5	Low	72 Å²	72	68.3 Å²	68.3	34%	0.336	36%	0.363	S	S	.	.	H	α-helix	trans	-58.9	-44.9	178	-73.4	172.8	169.2	0	0	111.3	L427 R520 S521 L526 L527 D528	L427-E524 HydrophobicContact CD1-CG 3.46Å; L427-E524 VanDerWaalsContact CD1-CG 3.46Å; R520-E524 HydrophobicContact CG-CG 4.28Å; R520-E524 WeakPolarHBondContact CG-OE1 3.18Å; R520-E524 IonicContact CZ-OE1 3.94Å; R520-E524 IonicContact NE-OE1 3.19Å; R520-E524 PolarHBondContact NE-OE1 3.26Å; R520-E524 IonicContact NH2-OE1 2.75Å; R520-E524 PolarHBondContact NH2-OE1 3.3Å; R520-E524 VanDerWaalsContact NH2-OE1 3.11Å; R520-E524 WeakPolarHBondContact O-CB 3.49Å; R520-E524 WeakPolarHBondContact O-CG 3.36Å; R520-E524 PolarHBondContact O-N 2.78Å; S521-E524 PolarHBondContact O-N 2.87Å; E524-L526 PolarHBondContact O-N 3.49Å; E524-L526 VanDerWaalsContact O-N 3.17Å; E524-L527 PolarHBondContact O-N 3.05Å; E524-L527 VanDerWaalsContact O-N 3.1Å; E524-D528 WeakPolarHBondContact O-CB 3.43Å; E524-D528 PolarHBondContact O-N 3.28Å
525	Q	82.1	Confident	67.6	Low	66 Å²	66	73.5 Å²	73.5	31%	0.308	39%	0.392	S	S	.	.	H	α-helix	trans	-60.4	-27.5	176.9	-74.1	174.2	26	0	0	114.4	S521 L523	S521-Q525 WeakPolarHBondContact O-CB 3.47Å; S521-Q525 WeakPolarHBondContact O-CG 3.3Å; S521-Q525 PolarHBondContact O-N 3.23Å; S521-Q525 PolarHBondContact OG-NE2 3.18Å; S521-Q525 VanDerWaalsContact OG-NE2 3.13Å; L523-Q525 PolarHBondContact O-N 3.47Å
526	L	84.9	Confident	65.5	Low	27 Å²	27	81.2 Å²	81.2	14%	0.141	43%	0.425	C	S	.	.	H	α-helix	trans	-87.7	-29.1	177.2	-69.7	171.1	0	0	0	112.2	I345 L367 K369 M422 A522 L523 E524	I345-L526 HydrophobicContact CD1-CD1 3.54Å; I345-L526 HydrophobicContact CD1-CD2 3.74Å; I345-L526 HydrophobicContact CD1-CG 4.2Å; L367-L526 HydrophobicContact CD1-CD1 3.79Å; L367-L526 HydrophobicContact CD2-CD1 3.88Å; L367-L526 HydrophobicContact CG-CD1 3.9Å; K369-L526 HydrophobicContact CG-CD2 4.09Å; M422-L526 HydrophobicContact CE-CB 3.72Å; M422-L526 HydrophobicContact CE-CD1 4.38Å; A522-L526 WeakPolarHBondContact O-CG 3.18Å; L523-L526 PolarHBondContact O-N 3Å; L523-L526 VanDerWaalsContact O-N 3.14Å; E524-L526 PolarHBondContact O-N 3.49Å; E524-L526 VanDerWaalsContact O-N 3.17Å
527	L	84.1	Confident	63.2	Low	57 Å²	57	89.7 Å²	89.7	30%	0.298	46%	0.462	S	S	.	.	H	α-helix	trans	-77.5	-34.4	176.8	-69.2	169.8	0	0	0	112.7	M422 M425 L427 L523 E524 K529	M422-L527 HydrophobicContact CE-CD2 3.89Å; M422-L527 HydrophobicContact CE-CG 3.9Å; M422-L527 WeakPolarHBondContact O-CD2 3.27Å; M425-L527 HydrophobicContact CB-CD2 4.17Å; M425-L527 HydrophobicContact SD-CD1 4.5Å; L427-L527 HydrophobicContact CD1-CD1 3.73Å; L427-L527 HydrophobicContact CG-CD1 3.77Å; L523-L527 VanDerWaalsContact O-CG 3.3Å; L523-L527 WeakPolarHBondContact O-CG 3.23Å; L523-L527 PolarHBondContact O-N 2.69Å; E524-L527 PolarHBondContact O-N 3.05Å; E524-L527 VanDerWaalsContact O-N 3.1Å; L527-K529 VanDerWaalsContact C-N 3.28Å; L527-K529 PolarHBondContact O-N 2.82Å
528	D	69.1	Low	61	Low	134 Å²	134	93.8 Å²	93.8	72%	0.717	48%	0.482	S	S	*	.	S	Bend	trans	-78.3	-0.2	-175.7	-83.3	-13.9	0	0	0	114.8	E524 P530	E524-D528 WeakPolarHBondContact O-CB 3.43Å; E524-D528 PolarHBondContact O-N 3.28Å; D528-P530 VanDerWaalsContact O-CD 3.23Å; D528-P530 WeakPolarHBondContact O-CD 3.16Å
529	K	55.6	Low	59	Low	99 Å²	99	96.2 Å²	96.2	43%	0.43	51%	0.506	S	S	.	.			trans	-76.7	115.8	177.8	-75.2	-177.3	-178.6	177.2	0	110.8	L527	L527-K529 VanDerWaalsContact C-N 3.28Å; L527-K529 PolarHBondContact O-N 2.82Å
530	P	36.6	Very low	56.5	Low	107 Å²	107	100.5 Å²	100.5	70%	0.695	54%	0.542	S	S	*	.			trans	-65.5	144.3	172.7	27.1	-32.7	0	0	0	110	D528 Q532	D528-P530 VanDerWaalsContact O-CD 3.23Å; D528-P530 WeakPolarHBondContact O-CD 3.16Å; P530-Q532 PolarHBondContact O-N 3.04Å; P530-Q532 VanDerWaalsContact O-N 3.14Å
531	P	36.5	Very low	54.1	Low	117 Å²	117	110.4 Å²	110.4	76%	0.76	58%	0.579	S	S	*	*			trans	-60.8	119.8	174.2	24.4	-31.3	0	0	0	108.9	I533	P531-I533 PolarHBondContact O-N 3.23Å
532	Q	34.6	Very low	51.6	Low	173 Å²	173	119.8 Å²	119.8	81%	0.808	61%	0.608	S	S	*	*			trans	-63.6	100.9	176.7	-70.8	-175.6	-6.1	0	0	109.7	P530 T534	P530-Q532 PolarHBondContact O-N 3.04Å; P530-Q532 VanDerWaalsContact O-N 3.14Å; Q532-T534 PolarHBondContact O-N 3.46Å
533	I	32.5	Very low	49.3	Very low	136 Å²	136	124.4 Å²	124.4	70%	0.697	64%	0.637	S	S	*	*			trans	-77.9	110.5	162.2	-62.5	173.6	0	0	0	106.4	P531 D535	P531-I533 PolarHBondContact O-N 3.23Å; I533-D535 PolarHBondContact O-N 3.17Å; I533-D535 VanDerWaalsContact O-N 3.16Å
534	T	29.6	Very low	46.6	Very low	126 Å²	126	131.3 Å²	131.3	77%	0.773	68%	0.679	S	S	*	*			trans	-80.7	81.4	171.4	43.2	0	0	0	0	109.9	Q532 K536	Q532-T534 PolarHBondContact O-N 3.46Å; T534-K536 PolarHBondContact O-N 3.06Å
535	D	33.4	Very low	43.9	Very low	127 Å²	127	133.5 Å²	133.5	68%	0.679	70%	0.7	S	S	*	*			trans	-83.7	105.8	165.9	-82.6	-24.9	0	0	0	109.8	I533 F537	I533-D535 PolarHBondContact O-N 3.17Å; I533-D535 VanDerWaalsContact O-N 3.16Å; D535-F537 PolarHBondContact O-N 3.16Å
536	K	32.3	Very low	41.6	Very low	201 Å²	201	139.5 Å²	139.5	87%	0.874	73%	0.728	S	S	*	*			trans	-65.2	119.8	161.6	-74.5	-179.5	175.6	-179.6	0	108.3	T534	T534-K536 PolarHBondContact O-N 3.06Å
537	F	36.3	Very low	39.1	Very low	194 Å²	194	147.6 Å²	147.6	85%	0.851	76%	0.762	S	S	*	*			trans	-112.1	115.1	158.5	-96.1	-85.5	0	0	0	109.8	D535	D535-F537 PolarHBondContact O-N 3.16Å
538	D	32	Very low	36.6	Very low	158 Å²	158	152.8 Å²	152.8	85%	0.845	79%	0.789	S	S	*	*			trans	-66.3	144.1	170.2	-85.8	-43.7	0	0	0	111.8
539	S	37.5	Very low	34.6	Very low	117 Å²	117	151.2 Å²	151.2	82%	0.818	79%	0.788	S	S	*	*			trans	-157.8	120.8	139.2	58.5	0	0	0	0	113.3
540	A	37.4	Very low	33.3	Very low	93 Å²	93	152 Å²	152	77%	0.769	80%	0.802	S	S	*	*			trans	83.4	94.8	145.7	0	0	0	0	0	120.4
541	R	36.5	Very low	32.8	Very low	261 Å²	261	153 Å²	153	99%	0.985	80%	0.801	S	S	*	*				-170.4	148.1	101	-98.6	175.4	-169.1	-149.3	2.6	111.8
542	R	31.7	Very low	32.6	Very low	245 Å²	245	157.4 Å²	157.4	93%	0.925	80%	0.804	S	S	*	*			trans	-93.3	178.2	-157	-122.8	-169.4	-160	180	5.2	112.4
543	P	35.9	Very low	32.1	Very low	103 Å²	103	159.4 Å²	159.4	67%	0.669	81%	0.811	S	S	*	*				-129.4	172.4	-108.9	40.7	-23.1	0	0	0	115
544	T	33	Very low	31.9	Very low	144 Å²	144	157.6 Å²	157.6	88%	0.883	81%	0.807	S	S	*	*			trans	-146.8	128.2	150.2	40.4	0	0	0	0	109.6
545	P	30.9	Very low	31.7	Very low	118 Å²	118	157.1 Å²	157.1	77%	0.766	81%	0.809	S	S	*	*			trans	-119.3	114.8	-177.6	35.3	-19.8	0	0	0	112.6
546	E	33.3	Very low	31.5	Very low	192 Å²	192	158.3 Å²	158.3	90%	0.897	82%	0.815	S	S	*	*			trans	-140.9	103.5	157.6	-75.1	-164	153.7	0	0	112.4
547	K	32.1	Very low	31.4	Very low	198 Å²	198	153 Å²	153	86%	0.861	80%	0.803	S	S	*	*			trans	12.8	118.4	144.2	-62.4	172.2	179.4	175.1	0	118.2
548	L	31	Very low	31.2	Very low	165 Å²	165	154.9 Å²	154.9	86%	0.864	81%	0.805	S	S	*	*				-162.9	105.8	122.2	-128.7	76	0	0	0	111.7
549	S	28.8	Very low	31.3	Very low	101 Å²	101	152 Å²	152	71%	0.706	80%	0.797	S	S	*	*			trans	32.8	135.1	138	-34.8	0	0	0	0	123.4
550	T	27.7	Very low	31.4	Very low	116 Å²	116	157.3 Å²	157.3	71%	0.712	80%	0.799	S	S	*	*			trans	92.1	106.6	136.4	21.3	0	0	0	0	120.6
551	D	26.4	Very low	32	Very low	128 Å²	128	157.9 Å²	157.9	68%	0.684	80%	0.797	S	S	*	*			trans	93.5	136.3	134	-56.1	-28.2	0	0	0	121.7
552	Y	31.5	Very low	33.1	Very low	210 Å²	210	146.5 Å²	146.5	82%	0.824	76%	0.757	S	S	*	*			trans	94.5	79.7	167.7	-57.4	-81.2	0	0	0	118.9
553	F	24.4	Very low	34.7	Very low	215 Å²	215	137.5 Å²	137.5	94%	0.943	73%	0.732	S	S	*	*			trans	-101.4	133.1	134.5	-87.2	-82.6	0	0	0	108.8
554	P	29.1	Very low	36.5	Very low	97 Å²	97	138 Å²	138	63%	0.63	73%	0.728	S	S	*	*			trans	-122.7	125.5	138.2	6.5	14.2	0	0	0	110.7	L556	P554-L556 PolarHBondContact O-N 2.94Å
555	S	25.3	Very low	38.4	Very low	116 Å²	116	133 Å²	133	81%	0.811	71%	0.706	S	S	*	*			trans	-42.5	121.7	159.3	48.7	0	0	0	0	113.7
556	L	29.6	Very low	40.6	Very low	152 Å²	152	131.2 Å²	131.2	80%	0.796	69%	0.689	S	S	*	*			trans	-119.9	96.4	158.7	-98.6	86.5	0	0	0	107.5	P554	P554-L556 PolarHBondContact O-N 2.94Å
557	S	30.2	Very low	42.9	Very low	89 Å²	89	122.1 Å²	122.1	62%	0.622	65%	0.647	S	S	*	*				86.9	104.5	76.7	65.8	0	0	0	0	112.3
558	R	31	Very low	45.1	Very low	235 Å²	235	114.8 Å²	114.8	89%	0.887	62%	0.62	S	S	*	*	S	Bend	trans	-27.3	143.4	165.1	-76.3	168.7	168.4	169.5	-5.5	115	R560	R558-R560 PolarHBondContact O-N 3.29Å
559	S	33.5	Very low	47.2	Very low	97 Å²	97	112.7 Å²	112.7	68%	0.678	61%	0.606	S	S	*	*			trans	-17	102.9	166.7	-22.6	0	0	0	0	113.8	S561	S559-S561 PolarHBondContact O-N 2.84Å
560	R	40.4	Very low	49.5	Very low	229 Å²	229	109.3 Å²	109.3	86%	0.864	58%	0.578	S	S	*	*			trans	-73.1	109.9	169.2	-79.5	-177.2	171.7	-179.3	-1.8	108.1	R558 S562	R558-R560 PolarHBondContact O-N 3.29Å; R560-S562 PolarHBondContact O-N 3.05Å
561	S	50.8	Low	51.9	Low	105 Å²	105	103.9 Å²	103.9	73%	0.734	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-52.7	121.2	161.6	56.7	0	0	0	0	108.6	S559 S563	S559-S561 PolarHBondContact O-N 2.84Å; S561-S563 PolarHBondContact O-N 3.18Å
562	S	58.3	Low	54.2	Low	21 Å²	21	104.9 Å²	104.9	15%	0.147	54%	0.543	C	S	.	.	P	Polyproline II helix	trans	-61.4	123.2	178.3	33.2	0	0	0	0	109.5	R560	R560-S562 PolarHBondContact O-N 3.05Å
563	S	66.3	Low	56	Low	57 Å²	57	98.8 Å²	98.8	40%	0.399	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-68.9	157.2	178.9	75.4	0	0	0	0	110	S561 G565 D566 I567	S561-S563 PolarHBondContact O-N 3.18Å; S563-G565 PolarHBondContact O-N 2.65Å; S563-G565 VanDerWaalsContact O-N 3.1Å; S563-D566 WeakPolarHBondContact CB-OD2 3.48Å; S563-D566 PolarHBondContact N-OD2 3.26Å; S563-D566 WeakPolarHBondContact O-CB 3.27Å; S563-D566 PolarHBondContact O-N 3.45Å; S563-D566 PolarHBondContact OG-N 2.91Å; S563-D566 PolarHBondContact OG-OD1 2.84Å; S563-D566 PolarHBondContact OG-OD2 2.75Å; S563-I567 PolarHBondContact O-N 2.92Å
564	I	72.2	Confident	58.1	Low	113 Å²	113	89.8 Å²	89.8	58%	0.579	48%	0.481	S	S	*	.	H	α-helix	trans	-57.8	-27.9	176.6	-161.7	165.9	0	0	0	112.4	I416 F419 S568	I416-I564 HydrophobicContact CD1-CG1 4.37Å; F419-I564 HydrophobicContact CE1-CG1 4.42Å; I564-S568 WeakPolarHBondContact O-CB 3.38Å; I564-S568 PolarHBondContact O-N 3.35Å
565	G	74.3	Confident	59.8	Low	40 Å²	40	88.2 Å²	88.2	41%	0.412	46%	0.464	S	S	.	.	H	α-helix	trans	-64.8	-47.5	173.2	0	0	0	0	0	111.9	S563 I567 S568 E569	S563-G565 PolarHBondContact O-N 2.65Å; S563-G565 VanDerWaalsContact O-N 3.1Å; G565-I567 VanDerWaalsContact C-N 3.34Å; G565-I567 PolarHBondContact O-N 2.74Å; G565-S568 PolarHBondContact O-N 3.48Å; G565-E569 PolarHBondContact O-N 2.98Å
566	D	76.8	Confident	61.3	Low	80 Å²	80	89 Å²	89	43%	0.428	46%	0.455	S	S	.	.	H	α-helix	trans	-61.9	-43.4	178.4	-53	-38.2	0	0	0	110.9	S563 E569 R570	S563-D566 WeakPolarHBondContact CB-OD2 3.48Å; S563-D566 PolarHBondContact N-OD2 3.26Å; S563-D566 WeakPolarHBondContact O-CB 3.27Å; S563-D566 PolarHBondContact O-N 3.45Å; S563-D566 PolarHBondContact OG-N 2.91Å; S563-D566 PolarHBondContact OG-OD1 2.84Å; S563-D566 PolarHBondContact OG-OD2 2.75Å; D566-E569 PolarHBondContact O-N 3.41Å; D566-R570 WeakPolarHBondContact O-CG 3.2Å; D566-R570 PolarHBondContact O-N 3Å
567	I	81	Confident	62.5	Low	0 Å²	0	84.4 Å²	84.4	0%	0	43%	0.43	C	S	.	.	H	α-helix	trans	-64	-43	177.5	-62.4	175.7	0	0	0	111	V371 I373 I416 F419 S563 G565 E569 R570 L571	V371-I567 HydrophobicContact CG2-CD1 4.38Å; I373-I567 HydrophobicContact CD1-CG2 3.46Å; I373-I567 VanDerWaalsContact CD1-CG2 3.46Å; I373-I567 HydrophobicContact CG1-CG2 3.78Å; I373-I567 HydrophobicContact CG2-CG2 4.13Å; I416-I567 HydrophobicContact CD1-CB 4.18Å; I416-I567 HydrophobicContact CD1-CG2 3.62Å; F419-I567 HydrophobicContact CB-CD1 4.23Å; F419-I567 HydrophobicContact CD1-CD1 3.89Å; F419-I567 HydrophobicContact CD2-CD1 3.39Å; F419-I567 HydrophobicContact CE1-CD1 4.07Å; F419-I567 HydrophobicContact CE2-CD1 3.59Å; F419-I567 HydrophobicContact CG-CD1 3.56Å; F419-I567 HydrophobicContact CZ-CD1 3.92Å; S563-I567 PolarHBondContact O-N 2.92Å; G565-I567 VanDerWaalsContact C-N 3.34Å; G565-I567 PolarHBondContact O-N 2.74Å; I567-E569 VanDerWaalsContact C-N 3.31Å; I567-E569 PolarHBondContact O-N 3.26Å; I567-R570 WeakPolarHBondContact O-CB 3.15Å; I567-R570 PolarHBondContact O-N 2.87Å; I567-L571 PolarHBondContact O-N 3.06Å
568	S	79.5	Confident	63.8	Low	44 Å²	44	80.7 Å²	80.7	31%	0.308	40%	0.403	S	S	.	.	H	α-helix	trans	-62.7	-39.5	177.2	-172.6	0	0	0	0	111.8	I564 G565 L571 K572	I564-S568 WeakPolarHBondContact O-CB 3.38Å; I564-S568 PolarHBondContact O-N 3.35Å; G565-S568 PolarHBondContact O-N 3.48Å; S568-L571 PolarHBondContact O-N 3.22Å; S568-K572 WeakPolarHBondContact O-CG 3.36Å; S568-K572 PolarHBondContact O-N 2.91Å
569	E	74.1	Confident	65	Low	122 Å²	122	75 Å²	75	57%	0.57	39%	0.385	S	S	*	.	H	α-helix	trans	-68.7	-39.3	176.4	-164.5	165.4	-165.2	0	0	112.1	G565 D566 I567 L571 K572	G565-E569 PolarHBondContact O-N 2.98Å; D566-E569 PolarHBondContact O-N 3.41Å; I567-E569 VanDerWaalsContact C-N 3.31Å; I567-E569 PolarHBondContact O-N 3.26Å; E569-L571 PolarHBondContact O-N 2.85Å; E569-K572 PolarHBondContact O-N 3.35Å
570	R	77.2	Confident	65.9	Low	29 Å²	29	71.9 Å²	71.9	11%	0.109	36%	0.361	C	S	.	.	H	α-helix	trans	-55.6	-49.2	170.1	-73.6	176.2	179.3	-176.1	0.9	111.4	N342 D370 D566 I567 K572 K573 Y574	N342-R570 PolarHBondContact OD1-NE 2.66Å; N342-R570 PolarHBondContact OD1-NH2 2.87Å; D370-R570 VanDerWaalsContact CG-NH1 3.32Å; D370-R570 IonicContact OD1-CZ 2.96Å; D370-R570 IonicContact OD1-NH1 3.94Å; D370-R570 PolarHBondContact OD1-NH1 2.81Å; D370-R570 IonicContact OD2-CZ 3.37Å; D370-R570 IonicContact OD2-NH1 3.94Å; D370-R570 PolarHBondContact OD2-NH1 3.47Å; D370-R570 IonicContact OD2-NH2 2.75Å; D370-R570 PolarHBondContact OD2-NH2 3.38Å; D566-R570 WeakPolarHBondContact O-CG 3.2Å; D566-R570 PolarHBondContact O-N 3Å; I567-R570 WeakPolarHBondContact O-CB 3.15Å; I567-R570 PolarHBondContact O-N 2.87Å; R570-K572 VanDerWaalsContact C-N 3.32Å; R570-K572 PolarHBondContact O-N 2.81Å; R570-K573 WeakPolarHBondContact O-CB 3.4Å; R570-K573 PolarHBondContact O-N 2.81Å; R570-Y574 WeakPolarHBondContact O-CD2 3.5Å
571	L	77.5	Confident	66.6	Low	3 Å²	3	61.7 Å²	61.7	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-64.7	-31.2	-178.6	-73.6	-176.7	0	0	0	113.9	F366 I373 A375 L414 I416 I567 S568 E569 K573 Y574 K575	F366-L571 HydrophobicContact CB-CD2 4.37Å; F366-L571 HydrophobicContact CD1-CD2 4.31Å; F366-L571 HydrophobicContact CD2-CD2 3.58Å; F366-L571 HydrophobicContact CE2-CD2 3.81Å; F366-L571 HydrophobicContact CG-CD2 3.84Å; F366-L571 HydrophobicContact CZ-CD2 4.29Å; I373-L571 HydrophobicContact CD1-CD2 4.34Å; I373-L571 HydrophobicContact CG2-CD1 3.93Å; I373-L571 HydrophobicContact CG2-CD2 4.36Å; I373-L571 HydrophobicContact CG2-CG 4.47Å; A375-L571 HydrophobicContact CB-CD1 4.18Å; L414-L571 HydrophobicContact CB-CD1 4.49Å; L414-L571 HydrophobicContact CD1-CB 4.34Å; I416-L571 HydrophobicContact CD1-CD1 4.02Å; I416-L571 HydrophobicContact CG1-CD1 3.51Å; I567-L571 PolarHBondContact O-N 3.06Å; S568-L571 PolarHBondContact O-N 3.22Å; E569-L571 PolarHBondContact O-N 2.85Å; L571-K573 PolarHBondContact O-N 3Å; L571-Y574 PolarHBondContact O-N 2.94Å; L571-K575 PolarHBondContact O-N 2.99Å
572	K	74.9	Confident	67	Low	149 Å²	149	61.7 Å²	61.7	65%	0.648	31%	0.307	S	S	*	.	H	α-helix	trans	-58.4	-30.8	176.6	-74.8	173.5	-173.8	172.8	0	112.1	S568 E569 R570 Y574	S568-K572 WeakPolarHBondContact O-CG 3.36Å; S568-K572 PolarHBondContact O-N 2.91Å; E569-K572 PolarHBondContact O-N 3.35Å; R570-K572 VanDerWaalsContact C-N 3.32Å; R570-K572 PolarHBondContact O-N 2.81Å; K572-Y574 VanDerWaalsContact C-N 3.32Å; K572-Y574 PolarHBondContact O-N 3.38Å
573	K	70	Confident	66.8	Low	82 Å²	82	60.9 Å²	60.9	36%	0.357	30%	0.301	S	S	.	.	H	α-helix	trans	-65.7	-32.9	177	-59.3	-172.8	179.8	-169.8	0	112.7	N330 R570 L571 H576	N330-K573 PolarHBondContact O-NZ 3.45Å; R570-K573 WeakPolarHBondContact O-CB 3.4Å; R570-K573 PolarHBondContact O-N 2.81Å; L571-K573 PolarHBondContact O-N 3Å; K573-H576 PolarHBondContact O-CE1 3.14Å; K573-H576 VanDerWaalsContact O-CE1 3.3Å; K573-H576 PolarHBondContact O-ND1 3.34Å
574	Y	69.2	Low	66.4	Low	26 Å²	26	58.1 Å²	58.1	10%	0.102	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	10.5	-173.5	-60.8	-74.7	0	0	0	114.1	N342 L344 F368 R570 L571 K572 H576 M577	N342-Y574 PolarHBondContact O-OH 3.33Å; L344-Y574 HydrophobicContact CB-CD1 4.5Å; L344-Y574 HydrophobicContact CB-CE1 3.82Å; L344-Y574 HydrophobicContact CB-CE2 4.32Å; L344-Y574 HydrophobicContact CD2-CD1 3.85Å; L344-Y574 HydrophobicContact CD2-CE1 3.95Å; L344-Y574 HydrophobicContact CD2-CG 4.31Å; F368-Y574 HydrophobicContact CE1-CD2 4.36Å; F368-Y574 AromaticContact CE1-CE2 3.62Å; F368-Y574 HydrophobicContact CE1-CE2 3.62Å; F368-Y574 AromaticContact CZ-CD2 3.91Å; F368-Y574 HydrophobicContact CZ-CD2 3.91Å; F368-Y574 AromaticContact CZ-CE2 3.64Å; F368-Y574 HydrophobicContact CZ-CE2 3.64Å; R570-Y574 WeakPolarHBondContact O-CD2 3.5Å; L571-Y574 PolarHBondContact O-N 2.94Å; K572-Y574 VanDerWaalsContact C-N 3.32Å; K572-Y574 PolarHBondContact O-N 3.38Å; Y574-H576 PolarHBondContact O-N 2.66Å; Y574-H576 VanDerWaalsContact O-N 3.09Å; Y574-M577 HydrophobicContact CD1-SD 3.59Å; Y574-M577 VanDerWaalsContact CD1-SD 3.59Å; Y574-M577 HydrophobicContact CE1-SD 4.41Å; Y574-M577 HydrophobicContact CG-SD 4.43Å; Y574-M577 WeakPolarHBondContact O-CB 3.32Å; Y574-M577 PolarHBondContact O-N 2.77Å
575	K	64.1	Low	65.8	Low	64 Å²	64	56.1 Å²	56.1	28%	0.278	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-54.1	-33.3	-176.6	-174.2	-179.9	177	177.8	0	113.6	Y412 L571 M577 V578	Y412-K575 HydrophobicContact CD2-CG 4.25Å; Y412-K575 HydrophobicContact CE2-CD 4.44Å; Y412-K575 HydrophobicContact CE2-CG 3.58Å; Y412-K575 WeakPolarHBondContact O-CE 3.45Å; Y412-K575 PolarHBondContact O-NZ 3.39Å; Y412-K575 PolarHBondContact OH-O 3.05Å; L571-K575 PolarHBondContact O-N 2.99Å; K575-M577 VanDerWaalsContact C-N 3.31Å; K575-M577 PolarHBondContact O-N 2.83Å; K575-V578 VanDerWaalsContact O-CG2 3.3Å; K575-V578 WeakPolarHBondContact O-CG2 3.3Å
576	H	56.9	Low	65	Low	133 Å²	133	54.5 Å²	54.5	62%	0.616	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-76.9	-9.8	-177.5	62.2	-83.6	0	0	0	114.4	K573 Y574 V578	K573-H576 PolarHBondContact O-CE1 3.14Å; K573-H576 VanDerWaalsContact O-CE1 3.3Å; K573-H576 PolarHBondContact O-ND1 3.34Å; Y574-H576 PolarHBondContact O-N 2.66Å; Y574-H576 VanDerWaalsContact O-N 3.09Å; H576-V578 VanDerWaalsContact C-N 3.27Å; H576-V578 PolarHBondContact O-N 2.89Å
577	M	55.3	Low	64.2	Low	54 Å²	54	50.7 Å²	50.7	27%	0.266	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-85.3	3.7	-176.4	-61.7	-171.5	78.7	0	0	114.2	L344 H347 Y574 K575 K579	L344-M577 HydrophobicContact CD2-CE 4.5Å; L344-M577 HydrophobicContact CD2-SD 4.01Å; H347-M577 WeakPolarHBondContact NE2-CE 3.12Å; Y574-M577 HydrophobicContact CD1-SD 3.59Å; Y574-M577 VanDerWaalsContact CD1-SD 3.59Å; Y574-M577 HydrophobicContact CE1-SD 4.41Å; Y574-M577 HydrophobicContact CG-SD 4.43Å; Y574-M577 WeakPolarHBondContact O-CB 3.32Å; Y574-M577 PolarHBondContact O-N 2.77Å; K575-M577 VanDerWaalsContact C-N 3.31Å; K575-M577 PolarHBondContact O-N 2.83Å; M577-K579 PolarHBondContact O-N 2.98Å
578	V	56	Low	63.2	Low	12 Å²	12	52.7 Å²	52.7	7%	0.073	24%	0.244	C	C	.	.			trans	-76.8	85.4	-173.2	175.2	0	0	0	0	109.7	Y364 I377 Y412 L414 K575 H576	Y364-V578 HydrophobicContact CD1-CG2 4.5Å; Y364-V578 HydrophobicContact CD2-CG1 4.39Å; Y364-V578 HydrophobicContact CE1-CB 4.17Å; Y364-V578 HydrophobicContact CE1-CG1 4.01Å; Y364-V578 HydrophobicContact CE1-CG2 4.27Å; Y364-V578 HydrophobicContact CE2-CB 4.49Å; Y364-V578 HydrophobicContact CE2-CG1 3.55Å; Y364-V578 WeakPolarHBondContact OH-CG1 3.47Å; I377-V578 HydrophobicContact CD1-CG1 3.22Å; I377-V578 HydrophobicContact CG1-CG1 3.84Å; Y412-V578 HydrophobicContact CE2-CB 4.38Å; Y412-V578 HydrophobicContact CE2-CG1 4.49Å; Y412-V578 HydrophobicContact CE2-CG2 4.22Å; L414-V578 HydrophobicContact CD2-CG2 4.24Å; K575-V578 VanDerWaalsContact O-CG2 3.3Å; K575-V578 WeakPolarHBondContact O-CG2 3.3Å; H576-V578 VanDerWaalsContact C-N 3.27Å; H576-V578 PolarHBondContact O-N 2.89Å
579	K	55.8	Low	62.3	Low	116 Å²	116	53.3 Å²	53.3	50%	0.504	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-103.1	153	170.9	-68.3	-171.4	174.8	-168.8	0	111.2	Y364 M577	Y364-K579 VanDerWaalsContact OH-C 3.29Å; Y364-K579 PolarHBondContact OH-N 2.92Å; Y364-K579 PolarHBondContact OH-O 3.14Å; M577-K579 PolarHBondContact O-N 2.98Å
580	L	53.9	Low	61.3	Low	31 Å²	31	52.7 Å²	52.7	16%	0.162	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-58.4	145.4	167.7	-75	166.6	0	0	0	109.1	L349 L585 I588	L349-L580 HydrophobicContact CD2-CD2 4.13Å; L580-L585 HydrophobicContact CB-CD2 4.19Å; L580-L585 HydrophobicContact CB-CG 4.09Å; L580-I588 HydrophobicContact CD1-CD1 3.76Å; L580-I588 HydrophobicContact CD2-CD1 4.22Å
581	N	54.2	Low	60.5	Low	15 Å²	15	55.6 Å²	55.6	8%	0.08	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-68.6	167.5	167.5	57.6	10.1	0	0	0	109.3	L349 V583 G584 L585	L349-N581 HydrophobicContact CB-CB 3.98Å; L349-N581 HydrophobicContact CD2-CB 4.16Å; L349-N581 VanDerWaalsContact CD2-N 3.32Å; L349-N581 HydrophobicContact CG-CB 4.49Å; L349-N581 PolarHBondContact O-ND2 3.13Å; N581-V583 PolarHBondContact O-N 2.71Å; N581-G584 CarbonylContact O-C 3.59Å; N581-G584 WeakPolarHBondContact O-CA 3.48Å; N581-G584 PolarHBondContact O-N 3.32Å; N581-G584 PolarHBondContact OD1-N 2.78Å; N581-L585 PolarHBondContact O-N 3.1Å
582	R	59.1	Low	59.9	Low	104 Å²	104	59.6 Å²	59.6	39%	0.392	28%	0.276	S	S	.	.	H	α-helix	trans	-53.4	-42.6	-177.7	-63.5	178.7	-177.7	-178.7	-8.5	112.8	G584 L585 S586 E671	R582-G584 VanDerWaalsContact C-N 3.32Å; R582-G584 PolarHBondContact O-N 2.94Å; R582-L585 PolarHBondContact O-N 2.96Å; R582-L585 VanDerWaalsContact O-N 3.14Å; R582-S586 PolarHBondContact O-N 3.46Å; R582-S586 PolarHBondContact O-OG 2.83Å; R582-E671 VanDerWaalsContact CZ-CD 3.5Å; R582-E671 IonicContact CZ-OE1 3.12Å; R582-E671 IonicContact CZ-OE2 3.28Å; R582-E671 IonicContact NE-OE1 2.58Å; R582-E671 IonicContact NH1-OE1 3.28Å; R582-E671 PolarHBondContact NH1-OE1 2.85Å; R582-E671 IonicContact NH1-OE2 2.98Å; R582-E671 PolarHBondContact NH1-OE2 2.88Å; R582-E671 IonicContact NH2-OE1 3.5Å; R582-E671 IonicContact NH2-OE2 2.8Å; R582-E671 PolarHBondContact NH2-OE2 3.48Å
583	V	54.7	Low	59.8	Low	4 Å²	4	53.5 Å²	53.5	2%	0.024	25%	0.252	C	S	.	.	H	α-helix	trans	-59.9	-42	174.3	-179.1	0	0	0	0	111.6	T491 S511 N581 S586 I587	T491-V583 HydrophobicContact CG2-CG1 3.9Å; S511-V583 WeakPolarHBondContact OG-CG2 3.37Å; N581-V583 PolarHBondContact O-N 2.71Å; V583-S586 WeakPolarHBondContact CA-OG 3.45Å; V583-S586 PolarHBondContact O-OG 2.79Å; V583-S586 VanDerWaalsContact O-OG 3.06Å; V583-I587 HydrophobicContact CG1-CD1 3.44Å; V583-I587 VanDerWaalsContact CG1-CD1 3.44Å; V583-I587 HydrophobicContact CG1-CG1 4.4Å; V583-I587 WeakPolarHBondContact O-CB 3.3Å; V583-I587 VanDerWaalsContact O-CD1 3.3Å; V583-I587 WeakPolarHBondContact O-CD1 3.29Å; V583-I587 WeakPolarHBondContact O-CG1 3.23Å; V583-I587 PolarHBondContact O-N 2.7Å; V583-I587 VanDerWaalsContact O-N 3.07Å
584	G	57.5	Low	60.1	Low	0 Å²	0	50 Å²	50	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.9	-38.8	174	0	0	0	0	0	112.9	N581 R582 I588	N581-G584 CarbonylContact O-C 3.59Å; N581-G584 WeakPolarHBondContact O-CA 3.48Å; N581-G584 PolarHBondContact O-N 3.32Å; N581-G584 PolarHBondContact OD1-N 2.78Å; R582-G584 VanDerWaalsContact C-N 3.32Å; R582-G584 PolarHBondContact O-N 2.94Å; G584-I588 WeakPolarHBondContact O-CB 3.28Å; G584-I588 WeakPolarHBondContact O-CD1 3.43Å; G584-I588 VanDerWaalsContact O-CG1 3.22Å; G584-I588 WeakPolarHBondContact O-CG1 3.14Å; G584-I588 PolarHBondContact O-N 2.89Å
585	L	60.2	Low	60.4	Low	70 Å²	70	51.1 Å²	51.1	37%	0.366	25%	0.246	S	C	.	.	H	α-helix	trans	-66	-56.3	174.8	-68.6	167.8	0	0	0	110.1	L580 N581 R582 I587 I588 D589	L580-L585 HydrophobicContact CB-CD2 4.19Å; L580-L585 HydrophobicContact CB-CG 4.09Å; N581-L585 PolarHBondContact O-N 3.1Å; R582-L585 PolarHBondContact O-N 2.96Å; R582-L585 VanDerWaalsContact O-N 3.14Å; L585-I587 PolarHBondContact O-N 2.85Å; L585-I588 PolarHBondContact O-N 3.33Å; L585-D589 WeakPolarHBondContact O-CB 3.37Å; L585-D589 PolarHBondContact O-N 2.66Å
586	S	57.7	Low	60.9	Low	7 Å²	7	48.1 Å²	48.1	5%	0.049	23%	0.233	C	C	.	.	H	α-helix	trans	-56.1	-31.6	-179.7	58.2	0	0	0	0	114.4	R582 V583 W654	R582-S586 PolarHBondContact O-N 3.46Å; R582-S586 PolarHBondContact O-OG 2.83Å; V583-S586 WeakPolarHBondContact CA-OG 3.45Å; V583-S586 PolarHBondContact O-OG 2.79Å; V583-S586 VanDerWaalsContact O-OG 3.06Å; S586-W654 VanDerWaalsContact O-CE2 3.27Å; S586-W654 WeakPolarHBondContact O-CZ2 3.35Å; S586-W654 PolarHBondContact O-NE1 3.06Å
587	I	58.8	Low	62.1	Low	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-88	-24	-179.5	-65	170.4	0	0	0	112.5	R458 E484 L487 V488 V583 L585	R458-I587 PolarHBondContact NH2-O 2.75Å; E484-I587 VanDerWaalsContact CA-CG2 3.49Å; E484-I587 HydrophobicContact CB-CG2 3.48Å; E484-I587 VanDerWaalsContact CB-CG2 3.48Å; E484-I587 HydrophobicContact CG-CG2 3.63Å; E484-I587 WeakPolarHBondContact CG-O 3.28Å; E484-I587 WeakPolarHBondContact O-CG2 3.48Å; L487-I587 HydrophobicContact CB-CD1 3.93Å; L487-I587 HydrophobicContact CB-CG2 4.34Å; L487-I587 HydrophobicContact CD2-CD1 3.64Å; L487-I587 HydrophobicContact CD2-CG1 3.88Å; L487-I587 HydrophobicContact CD2-CG2 4.15Å; L487-I587 HydrophobicContact CG-CD1 3.6Å; L487-I587 HydrophobicContact CG-CG1 4.4Å; V488-I587 HydrophobicContact CG2-CB 4.11Å; V488-I587 HydrophobicContact CG2-CD1 3.82Å; V488-I587 HydrophobicContact CG2-CG2 4.15Å; V583-I587 HydrophobicContact CG1-CD1 3.44Å; V583-I587 VanDerWaalsContact CG1-CD1 3.44Å; V583-I587 HydrophobicContact CG1-CG1 4.4Å; V583-I587 WeakPolarHBondContact O-CB 3.3Å; V583-I587 VanDerWaalsContact O-CD1 3.3Å; V583-I587 WeakPolarHBondContact O-CD1 3.29Å; V583-I587 WeakPolarHBondContact O-CG1 3.23Å; V583-I587 PolarHBondContact O-N 2.7Å; V583-I587 VanDerWaalsContact O-N 3.07Å; L585-I587 PolarHBondContact O-N 2.85Å
588	I	59.6	Low	63.6	Low	41 Å²	41	41 Å²	41	21%	0.21	20%	0.198	C	C	.	.	H	α-helix	trans	-109.1	-18.8	-173.8	-62.3	163.5	0	0	0	112	L388 L580 G584 L585	L388-I588 HydrophobicContact CD2-CD1 3.78Å; L388-I588 HydrophobicContact CD2-CG2 4.4Å; L580-I588 HydrophobicContact CD1-CD1 3.76Å; L580-I588 HydrophobicContact CD2-CD1 4.22Å; G584-I588 WeakPolarHBondContact O-CB 3.28Å; G584-I588 WeakPolarHBondContact O-CD1 3.43Å; G584-I588 VanDerWaalsContact O-CG1 3.22Å; G584-I588 WeakPolarHBondContact O-CG1 3.14Å; G584-I588 PolarHBondContact O-N 2.89Å; L585-I588 PolarHBondContact O-N 3.33Å
589	D	61.1	Low	65.2	Low	57 Å²	57	43.2 Å²	43.2	31%	0.305	21%	0.207	S	C	.	.			trans	-62	148.1	-178.7	-152.8	-7.2	0	0	0	111.4	L585 W654	L585-D589 WeakPolarHBondContact O-CB 3.37Å; L585-D589 PolarHBondContact O-N 2.66Å; D589-W654 HydrophobicContact CB-CH2 3.56Å; D589-W654 HydrophobicContact CB-CZ2 4.01Å; D589-W654 HydrophobicContact CB-CZ3 4.16Å
590	K	52.9	Low	67	Low	109 Å²	109	37.7 Å²	37.7	47%	0.474	18%	0.183	S	C	.	.	S	Bend	trans	-80.7	-25.2	-174.7	-68	-174.6	-170.8	166.6	0	112.5	E396	E396-K590 IonicContact OE2-NZ 3.15Å
591	D	61.4	Low	69	Low	90 Å²	90	36.9 Å²	36.9	48%	0.481	18%	0.179	S	C	.	.	S	Bend	trans	-66.4	150.8	177.8	-64.3	-30.8	0	0	0	110	W654	D591-W654 HydrophobicContact CB-CH2 3.75Å; D591-W654 HydrophobicContact CB-CZ3 3.98Å; D591-W654 WeakPolarHBondContact O-CH2 3.46Å; D591-W654 VanDerWaalsContact O-CZ2 3.26Å; D591-W654 WeakPolarHBondContact O-CZ2 3.27Å
592	E	64.9	Low	71	Confident	88 Å²	88	36.1 Å²	36.1	41%	0.411	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-83.5	126.1	-177.9	-68.2	-171.9	162.6	0	0	109.9	N462 L924	N462-E592 PolarHBondContact ND2-OE1 3.4Å; E592-L924 WeakPolarHBondContact OE2-CD1 3.39Å; E592-L924 WeakPolarHBondContact OE2-CD2 3.44Å
593	P	72.3	Confident	72.8	Confident	20 Å²	20	32.7 Å²	32.7	13%	0.13	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-62.9	147.3	176.2	25.1	-33	0	0	0	111.2	T595 W654	P593-T595 PolarHBondContact O-N 3.24Å; P593-W654 HydrophobicContact CB-CZ2 4.28Å
594	I	76.9	Confident	74.7	Confident	10 Å²	10	32.5 Å²	32.5	5%	0.051	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	125.1	178	-54.6	-58.5	0	0	0	109.6	I598 V650 G652 A653 L674 L676 L679 Y707	I594-I598 HydrophobicContact CG2-CD1 4.01Å; I594-I598 HydrophobicContact CG2-CG1 4.39Å; I594-V650 HydrophobicContact CG2-CG2 3.97Å; I594-G652 PolarHBondContact O-N 3.34Å; I594-A653 PolarHBondContact N-O 2.78Å; I594-A653 PolarHBondContact O-N 3.4Å; I594-L674 HydrophobicContact CG1-CB 3.92Å; I594-L676 HydrophobicContact CD1-CD2 4.11Å; I594-L676 HydrophobicContact CD1-CG 4.05Å; I594-L679 HydrophobicContact CD1-CD1 4.2Å; I594-L679 HydrophobicContact CG1-CD1 3.99Å; I594-L679 HydrophobicContact CG2-CD1 3.94Å; I594-Y707 HydrophobicContact CG2-CD2 3.85Å; I594-Y707 HydrophobicContact CG2-CE2 3.78Å
595	T	76.2	Confident	76.5	Confident	48 Å²	48	32.5 Å²	32.5	29%	0.294	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.1	173.3	-60.1	0	0	0	0	107.5	P593 V650 G652 Y707	P593-T595 PolarHBondContact O-N 3.24Å; T595-V650 WeakPolarHBondContact CA-O 3.28Å; T595-G652 PolarHBondContact OG1-N 3.31Å; T595-Y707 PolarHBondContact O-OH 3.18Å; T595-Y707 VanDerWaalsContact O-OH 3.05Å
596	G	74.5	Confident	78.1	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.9	-146.2	-174.7	0	0	0	0	0	112	V650	G596-V650 PolarHBondContact N-O 3.36Å; G596-V650 PolarHBondContact O-N 2.75Å
597	Y	80.9	Confident	79.7	Confident	37 Å²	37	32.7 Å²	32.7	15%	0.145	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	133.4	175.7	-69.2	-91.9	0	0	0	110.1	L648 E649 V708 Q710 L713 Y897	Y597-L648 CarbonylContact C-O 3.58Å; Y597-L648 VanDerWaalsContact CA-O 3.27Å; Y597-L648 WeakPolarHBondContact CA-O 3.36Å; Y597-E649 HydrophobicContact CD1-CB 4.2Å; Y597-E649 HydrophobicContact CE1-CB 3.87Å; Y597-E649 HydrophobicContact CE1-CG 4.08Å; Y597-V708 PolarHBondContact O-N 2.86Å; Y597-Q710 HydrophobicContact CD2-CG 3.73Å; Y597-Q710 HydrophobicContact CE2-CG 3.87Å; Y597-L713 HydrophobicContact CD1-CD1 4.49Å; Y597-L713 HydrophobicContact CD2-CD1 3.66Å; Y597-L713 HydrophobicContact CE2-CD1 4.36Å; Y597-L713 HydrophobicContact CG-CD1 3.75Å; Y597-Y897 WeakPolarHBondContact OH-CE2 3.39Å
598	I	87.6	Confident	81.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.7	172.1	-60.6	178.9	0	0	0	107.2	I594 L648 V650 L674 L679 L705 E706 Y707	I594-I598 HydrophobicContact CG2-CD1 4.01Å; I594-I598 HydrophobicContact CG2-CG1 4.39Å; I598-L648 PolarHBondContact N-O 2.78Å; I598-L648 WeakPolarHBondContact O-CA 3.29Å; I598-L648 VanDerWaalsContact O-CB 3.32Å; I598-L648 WeakPolarHBondContact O-CB 3.37Å; I598-L648 PolarHBondContact O-N 3.34Å; I598-V650 HydrophobicContact CB-CG1 4.5Å; I598-V650 HydrophobicContact CD1-CB 4.49Å; I598-V650 HydrophobicContact CD1-CG1 3.99Å; I598-V650 HydrophobicContact CD1-CG2 3.82Å; I598-V650 HydrophobicContact CG1-CG1 4.23Å; I598-V650 HydrophobicContact CG1-CG2 3.9Å; I598-L674 HydrophobicContact CD1-CD1 3.71Å; I598-L674 HydrophobicContact CD1-CD2 3.89Å; I598-L674 HydrophobicContact CD1-CG 4.36Å; I598-L679 HydrophobicContact CD1-CD1 3.94Å; I598-L679 HydrophobicContact CD1-CD2 4.26Å; I598-L679 HydrophobicContact CG1-CD1 4.28Å; I598-L679 HydrophobicContact CG1-CD2 4.49Å; I598-L679 HydrophobicContact CG2-CD2 4.03Å; I598-L705 HydrophobicContact CG2-CD2 4.14Å; I598-E706 CarbonylContact C-O 3.54Å; I598-E706 WeakPolarHBondContact CA-O 3.4Å; I598-Y707 HydrophobicContact CG1-CD2 4.41Å
599	K	90.3	Very high	82.6	Confident	60 Å²	60	37 Å²	37	26%	0.261	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	116.3	168.5	177.7	173.7	151.7	-136.1	0	108.3	F646 L705 E706 V708	K599-F646 WeakPolarHBondContact CA-O 3.5Å; K599-L705 WeakPolarHBondContact O-CA 3.41Å; K599-E706 HydrophobicContact CB-CB 4.33Å; K599-E706 PolarHBondContact N-O 3.32Å; K599-E706 IonicContact NZ-OE2 2.85Å; K599-E706 PolarHBondContact NZ-OE2 3.31Å; K599-E706 PolarHBondContact O-N 2.87Å; K599-V708 HydrophobicContact CB-CG2 3.8Å
600	A	93.7	Very high	83.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	129.5	178.5	0	0	0	0	0	109.9	I618 S645 F646 L648 I656 F658 S704 L705	A600-I618 HydrophobicContact CB-CD1 4.44Å; A600-S645 CarbonylContact O-C 3.58Å; A600-S645 VanDerWaalsContact O-CA 3.3Å; A600-S645 WeakPolarHBondContact O-CA 3.25Å; A600-F646 PolarHBondContact N-O 3.26Å; A600-F646 PolarHBondContact O-N 2.96Å; A600-L648 HydrophobicContact CB-CD1 3.66Å; A600-L648 HydrophobicContact CB-CG 4.34Å; A600-I656 HydrophobicContact CB-CD1 4.39Å; A600-F658 HydrophobicContact CB-CE1 4.5Å; A600-F658 HydrophobicContact CB-CZ 4.49Å; A600-S704 CarbonylContact C-O 3.58Å; A600-S704 WeakPolarHBondContact CA-O 3.37Å; A600-L705 HydrophobicContact CB-CD2 3.71Å
601	T	95.1	Very high	85.7	Confident	13 Å²	13	41.1 Å²	41.1	8%	0.08	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.4	175.1	-54.9	0	0	0	0	109.9	H603 Q644 S645 V703 S704	T601-H603 VanDerWaalsContact CG2-CE1 3.49Å; T601-H603 WeakPolarHBondContact CG2-CE1 3.38Å; T601-Q644 WeakPolarHBondContact CA-O 3.37Å; T601-S645 WeakPolarHBondContact CG2-OG 3.32Å; T601-S645 PolarHBondContact OG1-OG 3.29Å; T601-V703 CarbonylContact O-C 3.6Å; T601-V703 WeakPolarHBondContact O-CA 3.08Å; T601-S704 PolarHBondContact N-O 3.41Å; T601-S704 PolarHBondContact O-N 2.9Å
602	V	96.1	Very high	87.1	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	107.3	173	179.3	0	0	0	0	107.9	V616 I618 T632 W642 E643 Q644 F658 F701	V602-V616 HydrophobicContact CG1-CB 4.31Å; V602-V616 HydrophobicContact CG1-CG1 4.44Å; V602-V616 HydrophobicContact CG1-CG2 4.14Å; V602-V616 HydrophobicContact CG2-CG1 4.32Å; V602-I618 HydrophobicContact CG2-CD1 3.9Å; V602-I618 HydrophobicContact CG2-CG1 4.5Å; V602-T632 HydrophobicContact CB-CG2 3.91Å; V602-T632 HydrophobicContact CG1-CG2 4Å; V602-T632 HydrophobicContact CG2-CG2 3.99Å; V602-W642 HydrophobicContact CG1-CB 4.36Å; V602-W642 HydrophobicContact CG1-CD2 4.32Å; V602-W642 HydrophobicContact CG1-CE3 3.88Å; V602-E643 WeakPolarHBondContact O-CA 3.3Å; V602-E643 PolarHBondContact O-N 2.88Å; V602-Q644 PolarHBondContact N-O 3.15Å; V602-Q644 PolarHBondContact O-N 2.77Å; V602-Q644 VanDerWaalsContact O-N 3.11Å; V602-F658 HydrophobicContact CG2-CD1 3.93Å; V602-F658 HydrophobicContact CG2-CE1 3.94Å; V602-F701 HydrophobicContact CG1-CE1 4.09Å; V602-F701 HydrophobicContact CG1-CZ 4.39Å
603	H	96	Very high	88.5	Confident	31 Å²	31	35.4 Å²	35.4	14%	0.144	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-65.1	-178.6	-62.9	-69.4	0	0	0	110.4	T601 R641 W642 E643 S702 S704	T601-H603 VanDerWaalsContact CG2-CE1 3.49Å; T601-H603 WeakPolarHBondContact CG2-CE1 3.38Å; H603-R641 CarbonylContact O-C 3.52Å; H603-R641 WeakPolarHBondContact O-CA 3.24Å; H603-W642 PolarHBondContact O-N 2.67Å; H603-E643 WeakPolarHBondContact CA-OE1 3.18Å; H603-E643 WeakPolarHBondContact CB-OE1 3.47Å; H603-E643 IonicContact CE1-OE2 2.97Å; H603-E643 IonicContact CG-OE2 3.35Å; H603-E643 IonicContact ND1-OE1 3.41Å; H603-E643 IonicContact ND1-OE2 2.68Å; H603-E643 PolarHBondContact ND1-OE2 3.07Å; H603-E643 PolarHBondContact O-N 2.79Å; H603-E643 VanDerWaalsContact O-N 3.17Å; H603-S702 WeakPolarHBondContact CB-O 3.26Å; H603-S702 PolarHBondContact N-O 2.76Å; H603-S704 WeakPolarHBondContact NE2-CB 3.25Å; H603-S704 PolarHBondContact NE2-OG 3.13Å
604	G	94.9	Very high	89.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.9	179.4	-176.5	0	0	0	0	0	114.8	P640 S702	G604-P640 WeakPolarHBondContact CA-O 3.28Å; G604-S702 PolarHBondContact N-O 2.7Å; G604-S702 PolarHBondContact O-N 2.91Å
605	I	95.4	Very high	90.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	132.6	176	-69	164.6	0	0	0	109.7	L608 V616 N639 P640 W642 L660 L699 T700 F701	I605-L608 HydrophobicContact CB-CD1 4.28Å; I605-L608 HydrophobicContact CG2-CD1 3.65Å; I605-L608 HydrophobicContact CG2-CG 3.95Å; I605-V616 HydrophobicContact CD1-CG2 4.38Å; I605-N639 CarbonylContact O-C 3.15Å; I605-N639 WeakPolarHBondContact O-CA 3.41Å; I605-N639 WeakPolarHBondContact O-CB 3.5Å; I605-P640 PolarHBondContact N-O 3.4Å; I605-P640 VanDerWaalsContact N-O 3.1Å; I605-W642 HydrophobicContact CB-CZ3 4.4Å; I605-W642 HydrophobicContact CD1-CH2 3.94Å; I605-W642 HydrophobicContact CD1-CZ3 3.82Å; I605-W642 HydrophobicContact CG1-CZ3 4.03Å; I605-L660 HydrophobicContact CD1-CB 4.09Å; I605-L660 HydrophobicContact CD1-CD1 3.43Å; I605-L660 VanDerWaalsContact CD1-CD1 3.43Å; I605-L660 HydrophobicContact CD1-CD2 3.59Å; I605-L660 HydrophobicContact CD1-CG 3.86Å; I605-L699 HydrophobicContact CG2-CB 4.18Å; I605-L699 HydrophobicContact CG2-CD1 4.11Å; I605-L699 HydrophobicContact CG2-CD2 4.46Å; I605-T700 CarbonylContact C-O 3.57Å; I605-T700 VanDerWaalsContact CA-O 3.3Å; I605-T700 WeakPolarHBondContact CA-O 3.47Å; I605-F701 HydrophobicContact CD1-CD2 3.67Å; I605-F701 HydrophobicContact CD1-CE2 3.61Å; I605-F701 HydrophobicContact CD1-CG 4.23Å; I605-F701 HydrophobicContact CD1-CZ 4.07Å; I605-F701 HydrophobicContact CG1-CB 4.28Å; I605-F701 HydrophobicContact CG1-CD1 4.13Å; I605-F701 HydrophobicContact CG1-CD2 3.77Å; I605-F701 HydrophobicContact CG1-CE1 4.37Å; I605-F701 HydrophobicContact CG1-CE2 4.09Å; I605-F701 HydrophobicContact CG1-CG 3.8Å; I605-F701 HydrophobicContact CG1-CZ 4.36Å
606	D	94.5	Very high	91.4	Very high	53 Å²	53	32.3 Å²	32.3	28%	0.283	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	149.1	171	-66.6	-49.2	0	0	0	111.2	R641 L699 T700	D606-R641 IonicContact OD1-CZ 3.11Å; D606-R641 IonicContact OD1-NH2 2.85Å; D606-R641 PolarHBondContact OD1-NH2 3.16Å; D606-R641 IonicContact OD2-CZ 3.05Å; D606-R641 IonicContact OD2-NH1 3.46Å; D606-R641 IonicContact OD2-NH2 2.94Å; D606-R641 PolarHBondContact OD2-NH2 2.78Å; D606-L699 CarbonylContact O-C 3.53Å; D606-L699 VanDerWaalsContact O-CA 3.26Å; D606-L699 WeakPolarHBondContact O-CA 3.33Å; D606-T700 PolarHBondContact N-O 2.99Å; D606-T700 PolarHBondContact O-N 2.99Å
607	G	91.4	Very high	92.2	Very high	29 Å²	29	36 Å²	36	30%	0.299	18%	0.178	S	C	.	.	S	Bend	trans	106.5	-6.8	-178.4	0	0	0	0	0	114.6	N609 N639	G607-N609 PolarHBondContact O-N 3.03Å; G607-N639 PolarHBondContact N-OD1 3.37Å
608	L	91.2	Very high	92.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.			trans	-92.7	83.7	175.7	-63.6	175	0	0	0	111.3	I605 E610 Y614 S638 N639 P640 L660 L667 L699	I605-L608 HydrophobicContact CB-CD1 4.28Å; I605-L608 HydrophobicContact CG2-CD1 3.65Å; I605-L608 HydrophobicContact CG2-CG 3.95Å; L608-E610 PolarHBondContact O-N 2.93Å; L608-Y614 HydrophobicContact CB-CE2 4.41Å; L608-Y614 HydrophobicContact CD1-CD1 4.03Å; L608-Y614 HydrophobicContact CD1-CD2 4.4Å; L608-Y614 HydrophobicContact CD1-CE1 3.85Å; L608-Y614 HydrophobicContact CD1-CE2 4.21Å; L608-Y614 HydrophobicContact CD1-CG 4.3Å; L608-Y614 HydrophobicContact CD2-CE1 4.28Å; L608-S638 CarbonylContact O-C 3.58Å; L608-S638 VanDerWaalsContact O-CA 3.24Å; L608-S638 WeakPolarHBondContact O-CA 3.39Å; L608-S638 VanDerWaalsContact O-CB 3.25Å; L608-S638 WeakPolarHBondContact O-CB 3.42Å; L608-N639 VanDerWaalsContact C-OD1 3.32Å; L608-N639 WeakPolarHBondContact CA-OD1 3.36Å; L608-N639 PolarHBondContact N-OD1 3.45Å; L608-N639 PolarHBondContact O-N 3.44Å; L608-N639 PolarHBondContact O-OD1 2.82Å; L608-P640 HydrophobicContact CD1-CG 4.29Å; L608-L660 HydrophobicContact CD1-CD2 3.99Å; L608-L667 HydrophobicContact CD2-CD2 3.69Å; L608-L699 HydrophobicContact CD2-CD1 4.05Å; L608-L699 HydrophobicContact CD2-CD2 3.68Å; L608-L699 HydrophobicContact CG-CD1 4.36Å; L608-L699 HydrophobicContact CG-CD2 3.84Å
609	N	87	Confident	93	Very high	132 Å²	132	36.1 Å²	36.1	71%	0.706	18%	0.18	S	C	*	.			trans	-71.7	-12.6	-178.8	-61.7	-32	0	0	0	113.9	G607	G607-N609 PolarHBondContact O-N 3.03Å
610	E	88.9	Confident	92.9	Very high	85 Å²	85	33.6 Å²	33.6	40%	0.397	17%	0.169	S	C	.	.	S	Bend	trans	-92.2	139.2	-176.3	-59.9	162.7	-148.1	0	0	111.6	L608 N612 Y614 S638 R697	L608-E610 PolarHBondContact O-N 2.93Å; E610-N612 PolarHBondContact O-N 3.29Å; E610-N612 PolarHBondContact OE2-ND2 3.39Å; E610-Y614 WeakPolarHBondContact O-CE2 3.42Å; E610-Y614 PolarHBondContact O-OH 3.29Å; E610-Y614 VanDerWaalsContact O-OH 3.13Å; E610-S638 WeakPolarHBondContact O-CA 3.37Å; E610-R697 IonicContact OE1-CZ 2.77Å; E610-R697 IonicContact OE1-NH1 2.73Å; E610-R697 PolarHBondContact OE1-NH1 2.64Å; E610-R697 IonicContact OE1-NH2 2.68Å; E610-R697 PolarHBondContact OE1-NH2 3.45Å
611	K	90.2	Very high	92.3	Very high	166 Å²	166	33.8 Å²	33.8	72%	0.722	17%	0.17	S	C	*	.			trans	-81.7	97.2	169.7	-66.2	-174.4	179.9	-176.3	0	109.9
612	N	91.8	Very high	91.4	Very high	43 Å²	43	33.9 Å²	33.9	23%	0.23	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	175.6	170.6	-63.4	-49.6	0	0	0	110.4	E610 Y614 L635 Q636 Q637 V662	E610-N612 PolarHBondContact O-N 3.29Å; E610-N612 PolarHBondContact OE2-ND2 3.39Å; N612-Y614 HydrophobicContact CB-CE1 4.09Å; N612-Y614 HydrophobicContact CB-CE2 3.89Å; N612-Y614 PolarHBondContact ND2-OH 3.17Å; N612-Y614 VanDerWaalsContact ND2-OH 3.17Å; N612-Y614 WeakPolarHBondContact O-CD2 3.35Å; N612-Y614 PolarHBondContact O-N 3.28Å; N612-L635 VanDerWaalsContact O-O 3.05Å; N612-Q636 VanDerWaalsContact O-CA 3.31Å; N612-Q636 WeakPolarHBondContact O-CA 3.29Å; N612-Q637 PolarHBondContact O-N 3.15Å; N612-V662 HydrophobicContact CB-CG2 3.53Å
613	S	93.2	Very high	90	Very high	16 Å²	16	34.3 Å²	34.3	11%	0.112	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	96.1	177.7	71.6	0	0	0	0	110.7	L635 H663	S613-L635 WeakPolarHBondContact CA-O 3.05Å; S613-H663 PolarHBondContact O-N 2.98Å; S613-H663 PolarHBondContact OG-CE1 2.57Å; S613-H663 PolarHBondContact OG-ND1 2.88Å
614	Y	95.7	Very high	88.4	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	145.2	-178.5	-57.6	-72.3	0	0	0	111.9	L608 E610 N612 V634 L635 Q637 P640 L660 Y661 V662 L667	L608-Y614 HydrophobicContact CB-CE2 4.41Å; L608-Y614 HydrophobicContact CD1-CD1 4.03Å; L608-Y614 HydrophobicContact CD1-CD2 4.4Å; L608-Y614 HydrophobicContact CD1-CE1 3.85Å; L608-Y614 HydrophobicContact CD1-CE2 4.21Å; L608-Y614 HydrophobicContact CD1-CG 4.3Å; L608-Y614 HydrophobicContact CD2-CE1 4.28Å; E610-Y614 WeakPolarHBondContact O-CE2 3.42Å; E610-Y614 PolarHBondContact O-OH 3.29Å; E610-Y614 VanDerWaalsContact O-OH 3.13Å; N612-Y614 HydrophobicContact CB-CE1 4.09Å; N612-Y614 HydrophobicContact CB-CE2 3.89Å; N612-Y614 PolarHBondContact ND2-OH 3.17Å; N612-Y614 VanDerWaalsContact ND2-OH 3.17Å; N612-Y614 WeakPolarHBondContact O-CD2 3.35Å; N612-Y614 PolarHBondContact O-N 3.28Å; Y614-V634 CarbonylContact O-C 3.6Å; Y614-V634 WeakPolarHBondContact O-CA 3.47Å; Y614-L635 PolarHBondContact N-O 2.91Å; Y614-L635 PolarHBondContact O-N 2.86Å; Y614-Q637 VanDerWaalsContact CD2-O 3.3Å; Y614-Q637 WeakPolarHBondContact CD2-O 3.35Å; Y614-Q637 VanDerWaalsContact CE2-O 3.25Å; Y614-Q637 WeakPolarHBondContact CE2-O 3.44Å; Y614-P640 HydrophobicContact CD2-CG 3.94Å; Y614-P640 HydrophobicContact CG-CG 4.13Å; Y614-L660 HydrophobicContact CD1-CD1 4.28Å; Y614-Y661 VanDerWaalsContact CA-O 3.28Å; Y614-Y661 WeakPolarHBondContact CA-O 3.36Å; Y614-V662 HydrophobicContact CD1-CB 3.93Å; Y614-V662 HydrophobicContact CD1-CG2 4.02Å; Y614-V662 HydrophobicContact CE1-CB 3.84Å; Y614-V662 HydrophobicContact CE1-CG2 3.66Å; Y614-L667 HydrophobicContact CD1-CD2 4.42Å; Y614-L667 HydrophobicContact CE1-CD2 3.85Å
615	H	95.2	Very high	87.2	Confident	13 Å²	13	34.7 Å²	34.7	6%	0.06	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	162	166.3	65	-74.7	0	0	0	110.1	R617 V634 Y661 H663	H615-R617 PolarHBondContact NE2-NE 2.8Å; H615-V634 HydrophobicContact CB-CG2 4.06Å; H615-Y661 WeakPolarHBondContact CE1-CB 3.39Å; H615-Y661 AromaticContact CE1-CG 3.84Å; H615-Y661 PolarHBondContact N-O 2.95Å; H615-Y661 VanDerWaalsContact N-O 3.1Å; H615-Y661 AromaticContact NE2-CG 3.8Å; H615-Y661 PolarHBondContact O-N 2.92Å; H615-H663 PolarHBondContact CE1-O 2.81Å; H615-H663 VanDerWaalsContact CE1-O 3.29Å
616	V	95.5	Very high	86.3	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130	179.5	174.7	0	0	0	0	108.5	V602 I605 C631 T632 W642 F658 I659 L660 F701	V602-V616 HydrophobicContact CG1-CB 4.31Å; V602-V616 HydrophobicContact CG1-CG1 4.44Å; V602-V616 HydrophobicContact CG1-CG2 4.14Å; V602-V616 HydrophobicContact CG2-CG1 4.32Å; I605-V616 HydrophobicContact CD1-CG2 4.38Å; V616-C631 CarbonylContact O-C 3.48Å; V616-C631 WeakPolarHBondContact O-CA 3.21Å; V616-T632 HydrophobicContact CB-CG2 3.94Å; V616-T632 PolarHBondContact N-OG1 3.29Å; V616-T632 PolarHBondContact O-N 2.83Å; V616-T632 PolarHBondContact O-OG1 3.02Å; V616-W642 HydrophobicContact CG2-CE3 4.3Å; V616-W642 HydrophobicContact CG2-CH2 3.69Å; V616-W642 HydrophobicContact CG2-CZ2 4.04Å; V616-W642 HydrophobicContact CG2-CZ3 3.85Å; V616-F658 HydrophobicContact CG1-CB 4.01Å; V616-F658 HydrophobicContact CG1-CD1 4.24Å; V616-I659 CarbonylContact C-O 3.59Å; V616-I659 VanDerWaalsContact CA-O 3.29Å; V616-I659 WeakPolarHBondContact CA-O 3.2Å; V616-L660 HydrophobicContact CG2-CD1 4.29Å; V616-F701 HydrophobicContact CB-CZ 4.38Å; V616-F701 HydrophobicContact CG1-CE2 4.47Å; V616-F701 HydrophobicContact CG1-CZ 3.77Å; V616-F701 HydrophobicContact CG2-CE2 4.19Å; V616-F701 HydrophobicContact CG2-CZ 3.67Å
617	R	92.7	Very high	85.5	Confident	78 Å²	78	36.6 Å²	36.6	29%	0.294	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	139.1	169.3	-59.4	-171.3	-173.3	-166.7	6.5	109.6	H615 E628 I659 Y661	H615-R617 PolarHBondContact NE2-NE 2.8Å; R617-E628 WeakPolarHBondContact CD-OE2 3.3Å; R617-E628 IonicContact CZ-OE2 3.7Å; R617-E628 IonicContact NH1-OE2 2.71Å; R617-E628 PolarHBondContact NH1-OE2 2.97Å; R617-I659 PolarHBondContact N-O 3.16Å; R617-I659 PolarHBondContact O-N 3.37Å; R617-Y661 HydrophobicContact CB-CE2 4.29Å; R617-Y661 HydrophobicContact CG-CD2 4Å; R617-Y661 HydrophobicContact CG-CE2 3.97Å
618	I	94.4	Very high	85.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120	-180	-50.5	-177.2	0	0	0	107.6	A600 V602 E628 V629 A630 F646 L648 I656 C657 F658	A600-I618 HydrophobicContact CB-CD1 4.44Å; V602-I618 HydrophobicContact CG2-CD1 3.9Å; V602-I618 HydrophobicContact CG2-CG1 4.5Å; I618-E628 WeakPolarHBondContact O-CA 3.34Å; I618-V629 HydrophobicContact CB-CG2 4.23Å; I618-V629 HydrophobicContact CG2-CG2 3.93Å; I618-V629 WeakPolarHBondContact O-CG2 3.1Å; I618-V629 PolarHBondContact O-N 2.8Å; I618-A630 HydrophobicContact CB-CB 4.16Å; I618-A630 HydrophobicContact CD1-CB 4.01Å; I618-A630 HydrophobicContact CG1-CB 4.27Å; I618-A630 PolarHBondContact N-O 2.82Å; I618-A630 PolarHBondContact O-N 2.9Å; I618-F646 HydrophobicContact CD1-CD2 3.8Å; I618-F646 HydrophobicContact CD1-CE2 4.15Å; I618-F646 HydrophobicContact CD1-CG 4.49Å; I618-L648 HydrophobicContact CG2-CD1 3.95Å; I618-I656 HydrophobicContact CG2-CD1 3.63Å; I618-I656 HydrophobicContact CG2-CG1 3.73Å; I618-C657 CarbonylContact C-O 3.57Å; I618-C657 WeakPolarHBondContact CA-O 3.34Å; I618-F658 HydrophobicContact CD1-CD1 4.12Å; I618-F658 HydrophobicContact CD1-CE1 3.83Å; I618-F658 HydrophobicContact CG1-CD1 3.86Å; I618-F658 HydrophobicContact CG1-CE1 4.04Å; I618-F658 HydrophobicContact CG2-CD1 4.42Å; I618-F658 HydrophobicContact CG2-CE1 4.24Å
619	E	90.8	Very high	85.2	Confident	39 Å²	39	38.7 Å²	38.7	18%	0.182	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.8	173.8	-63.5	-177.1	168.9	0	0	109.6	R514 Y626 E627 E628 I656 C657 I659	R514-E619 IonicContact NH2-OE2 2.68Å; E619-Y626 HydrophobicContact CB-CD1 4.2Å; E619-E627 VanDerWaalsContact CA-O 3.28Å; E619-E627 WeakPolarHBondContact CA-O 3.49Å; E619-E628 HydrophobicContact CG-CB 4.49Å; E619-I656 CarbonylContact O-C 3.58Å; E619-C657 HydrophobicContact CB-CB 4.35Å; E619-C657 PolarHBondContact N-O 3.07Å; E619-C657 PolarHBondContact O-N 2.67Å; E619-I659 VanDerWaalsContact CD-CD1 3.46Å; E619-I659 HydrophobicContact CG-CD1 4.04Å; E619-I659 WeakPolarHBondContact OE2-CD1 3.47Å
620	V	88.3	Confident	85.5	Confident	7 Å²	7	32.4 Å²	32.4	4%	0.042	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.6	175.5	179.2	0	0	0	0	108.5	Y626 E627 V629 L648 V650 A653 I656	V620-Y626 WeakPolarHBondContact O-CA 3.32Å; V620-E627 PolarHBondContact N-O 2.7Å; V620-E627 VanDerWaalsContact N-O 3.09Å; V620-E627 PolarHBondContact O-N 3.02Å; V620-E627 VanDerWaalsContact O-N 3.07Å; V620-V629 HydrophobicContact CB-CG1 4.36Å; V620-V629 HydrophobicContact CB-CG2 4.36Å; V620-V629 HydrophobicContact CG2-CG1 4.47Å; V620-V629 HydrophobicContact CG2-CG2 3.66Å; V620-L648 HydrophobicContact CG2-CD1 4.37Å; V620-V650 HydrophobicContact CG1-CB 4.26Å; V620-V650 HydrophobicContact CG1-CG1 3.78Å; V620-V650 HydrophobicContact CG2-CG1 4.34Å; V620-A653 HydrophobicContact CG1-CB 3.55Å; V620-I656 HydrophobicContact CG2-CB 4.18Å; V620-I656 HydrophobicContact CG2-CD1 3.76Å; V620-I656 HydrophobicContact CG2-CG1 3.71Å
621	D	80.8	Confident	85.7	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	143.7	175.2	84.5	-64.2	0	0	0	112	G624 Q625 Y626 A653 W654 T655	D621-G624 PolarHBondContact OD2-N 3.48Å; D621-Q625 CarbonylContact C-O 3.58Å; D621-Q625 WeakPolarHBondContact CA-O 3.44Å; D621-Y626 HydrophobicContact CB-CD1 4.01Å; D621-Y626 HydrophobicContact CB-CD2 4.14Å; D621-Y626 HydrophobicContact CB-CE1 3.85Å; D621-Y626 HydrophobicContact CB-CE2 4.04Å; D621-Y626 HydrophobicContact CB-CG 4.17Å; D621-A653 VanDerWaalsContact O-CA 3.23Å; D621-A653 WeakPolarHBondContact O-CA 3.41Å; D621-A653 WeakPolarHBondContact O-CB 3.36Å; D621-W654 PolarHBondContact OD1-N 3.35Å; D621-T655 PolarHBondContact N-O 2.97Å; D621-T655 PolarHBondContact OD1-N 3.45Å; D621-T655 VanDerWaalsContact OD1-O 3.04Å; D621-T655 PolarHBondContact OD1-OG1 2.83Å
622	S	74.7	Confident	85.9	Confident	15 Å²	15	22.7 Å²	22.7	11%	0.105	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	99.6	166	180	0	0	0	0	108.4	K451 G624 Q625 D651	K451-S622 PolarHBondContact NZ-O 2.97Å; K451-S622 VanDerWaalsContact NZ-O 3.15Å; S622-G624 VanDerWaalsContact C-N 3.28Å; S622-G624 PolarHBondContact O-N 2.78Å; S622-Q625 PolarHBondContact N-O 2.83Å; S622-Q625 PolarHBondContact O-N 2.81Å; S622-D651 WeakPolarHBondContact CA-O 3.21Å; S622-D651 VanDerWaalsContact CB-O 3.3Å; S622-D651 WeakPolarHBondContact CB-O 3.5Å; S622-D651 PolarHBondContact OG-O 3Å
623	Y	67.1	Low	85.9	Confident	9 Å²	9	25.9 Å²	25.9	4%	0.035	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	44.1	-170.9	-58.3	-98.3	0	0	0	112	K451 L487 Q625 G652	K451-Y623 HydrophobicContact CD-CD2 4.01Å; K451-Y623 HydrophobicContact CD-CG 4.38Å; K451-Y623 HydrophobicContact CG-CD2 4.24Å; K451-Y623 HydrophobicContact CG-CG 4.29Å; L487-Y623 HydrophobicContact CD2-CD1 4.08Å; L487-Y623 HydrophobicContact CD2-CG 4.41Å; Y623-Q625 PolarHBondContact O-N 2.78Å; Y623-G652 PolarHBondContact N-O 2.75Å; Y623-G652 VanDerWaalsContact N-O 3.13Å
624	G	63.9	Low	85.8	Confident	3 Å²	3	29.1 Å²	29.1	3%	0.031	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	3	178.6	0	0	0	0	0	116.2	D621 S622	D621-G624 PolarHBondContact OD2-N 3.48Å; S622-G624 VanDerWaalsContact C-N 3.28Å; S622-G624 PolarHBondContact O-N 2.78Å
625	Q	68.8	Low	85.7	Confident	36 Å²	36	30.2 Å²	30.2	17%	0.168	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	112.2	169.6	-66.4	-171.9	-40.7	0	0	110.4	T491 D621 S622 Y623	T491-Q625 HydrophobicContact CG2-CG 3.44Å; T491-Q625 VanDerWaalsContact CG2-CG 3.44Å; T491-Q625 PolarHBondContact O-NE2 3.06Å; D621-Q625 CarbonylContact C-O 3.58Å; D621-Q625 WeakPolarHBondContact CA-O 3.44Å; S622-Q625 PolarHBondContact N-O 2.83Å; S622-Q625 PolarHBondContact O-N 2.81Å; Y623-Q625 PolarHBondContact O-N 2.78Å
626	Y	76.7	Confident	85.6	Confident	35 Å²	35	37.2 Å²	37.2	14%	0.137	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	132.9	176.6	-70	-95.1	0	0	0	110.8	T512 E619 V620 D621 T655 C657 E671	T512-Y626 HydrophobicContact CG2-CD2 3.33Å; T512-Y626 HydrophobicContact CG2-CE2 3.88Å; T512-Y626 HydrophobicContact CG2-CG 4.16Å; E619-Y626 HydrophobicContact CB-CD1 4.2Å; V620-Y626 WeakPolarHBondContact O-CA 3.32Å; D621-Y626 HydrophobicContact CB-CD1 4.01Å; D621-Y626 HydrophobicContact CB-CD2 4.14Å; D621-Y626 HydrophobicContact CB-CE1 3.85Å; D621-Y626 HydrophobicContact CB-CE2 4.04Å; D621-Y626 HydrophobicContact CB-CG 4.17Å; Y626-T655 VanDerWaalsContact CE1-OG1 3.32Å; Y626-T655 WeakPolarHBondContact CE1-OG1 3.41Å; Y626-T655 WeakPolarHBondContact OH-CB 3.49Å; Y626-T655 PolarHBondContact OH-OG1 2.88Å; Y626-C657 HydrophobicContact CE1-CB 4.38Å; Y626-C657 VanDerWaalsContact CE1-SG 3.53Å; Y626-E671 PolarHBondContact OH-OE1 2.79Å
627	E	76.7	Confident	85.4	Confident	58 Å²	58	40.6 Å²	40.6	27%	0.271	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141	175.6	-59.2	-158.8	-119.7	0	0	109.8	E619 V620 V629 R778	E619-E627 VanDerWaalsContact CA-O 3.28Å; E619-E627 WeakPolarHBondContact CA-O 3.49Å; V620-E627 PolarHBondContact N-O 2.7Å; V620-E627 VanDerWaalsContact N-O 3.09Å; V620-E627 PolarHBondContact O-N 3.02Å; V620-E627 VanDerWaalsContact O-N 3.07Å; E627-V629 PolarHBondContact O-N 3.33Å; E627-R778 VanDerWaalsContact CB-NH2 3.29Å; E627-R778 IonicContact OE1-CZ 3.4Å; E627-R778 IonicContact OE1-NH1 3.48Å; E627-R778 PolarHBondContact OE1-NH1 3.13Å; E627-R778 IonicContact OE1-NH2 2.97Å; E627-R778 PolarHBondContact OE1-NH2 3.06Å; E627-R778 IonicContact OE2-CZ 2.67Å; E627-R778 IonicContact OE2-NE 2.78Å; E627-R778 IonicContact OE2-NH1 3.49Å; E627-R778 PolarHBondContact OE2-NH1 3.36Å; E627-R778 IonicContact OE2-NH2 2.97Å; E627-R778 PolarHBondContact OE2-NH2 3.07Å
628	E	86.3	Confident	85.3	Confident	64 Å²	64	39 Å²	39	30%	0.299	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	123.7	177	-168.8	-178.3	130.7	0	0	109.4	R617 I618 E619	R617-E628 WeakPolarHBondContact CD-OE2 3.3Å; R617-E628 IonicContact CZ-OE2 3.7Å; R617-E628 IonicContact NH1-OE2 2.71Å; R617-E628 PolarHBondContact NH1-OE2 2.97Å; I618-E628 WeakPolarHBondContact O-CA 3.34Å; E619-E628 HydrophobicContact CG-CB 4.49Å
629	V	90.1	Very high	85.3	Confident	10 Å²	10	41.3 Å²	41.3	6%	0.061	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-20.7	-178.1	-67.1	0	0	0	0	112.8	I618 V620 E627 L648 V779 C780	I618-V629 HydrophobicContact CB-CG2 4.23Å; I618-V629 HydrophobicContact CG2-CG2 3.93Å; I618-V629 WeakPolarHBondContact O-CG2 3.1Å; I618-V629 PolarHBondContact O-N 2.8Å; V620-V629 HydrophobicContact CB-CG1 4.36Å; V620-V629 HydrophobicContact CB-CG2 4.36Å; V620-V629 HydrophobicContact CG2-CG1 4.47Å; V620-V629 HydrophobicContact CG2-CG2 3.66Å; E627-V629 PolarHBondContact O-N 3.33Å; V629-L648 HydrophobicContact CB-CD2 4.13Å; V629-L648 HydrophobicContact CG2-CD1 3.95Å; V629-L648 HydrophobicContact CG2-CD2 3.79Å; V629-L648 HydrophobicContact CG2-CG 4.33Å; V629-V779 WeakPolarHBondContact O-CA 3.41Å; V629-C780 PolarHBondContact O-N 3.35Å
630	A	93.1	Very high	85.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	159.2	176.7	0	0	0	0	0	112	I618 F646 L648	I618-A630 HydrophobicContact CB-CB 4.16Å; I618-A630 HydrophobicContact CD1-CB 4.01Å; I618-A630 HydrophobicContact CG1-CB 4.27Å; I618-A630 PolarHBondContact N-O 2.82Å; I618-A630 PolarHBondContact O-N 2.9Å; A630-F646 HydrophobicContact CB-CB 4.05Å; A630-F646 HydrophobicContact CB-CD1 3.55Å; A630-F646 HydrophobicContact CB-CD2 4.24Å; A630-F646 HydrophobicContact CB-CE1 4.01Å; A630-F646 HydrophobicContact CB-CG 3.68Å; A630-L648 HydrophobicContact CB-CD2 3.83Å
631	C	93.2	Very high	85.8	Confident	43 Å²	43	43.8 Å²	43.8	29%	0.291	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	137.1	173.5	-178	0	0	0	0	109.3	V616 F646	V616-C631 CarbonylContact O-C 3.48Å; V616-C631 WeakPolarHBondContact O-CA 3.21Å; C631-F646 WeakPolarHBondContact O-CE1 3.38Å; C631-F646 WeakPolarHBondContact O-CZ 3.14Å
632	T	94.5	Very high	86.4	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.018	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-76.3	162.8	172.1	68.4	0	0	0	0	111.7	V602 V616 W642 Q644 F646	V602-T632 HydrophobicContact CB-CG2 3.91Å; V602-T632 HydrophobicContact CG1-CG2 4Å; V602-T632 HydrophobicContact CG2-CG2 3.99Å; V616-T632 HydrophobicContact CB-CG2 3.94Å; V616-T632 PolarHBondContact N-OG1 3.29Å; V616-T632 PolarHBondContact O-N 2.83Å; V616-T632 PolarHBondContact O-OG1 3.02Å; T632-W642 HydrophobicContact CG2-CB 4.42Å; T632-W642 HydrophobicContact CG2-CG 4.14Å; T632-W642 PolarHBondContact OG1-NE1 2.9Å; T632-W642 VanDerWaalsContact OG1-NE1 3.07Å; T632-Q644 VanDerWaalsContact CB-OE1 3.22Å; T632-F646 HydrophobicContact CG2-CE2 3.97Å; T632-F646 HydrophobicContact CG2-CZ 4.05Å
633	R	91.5	Very high	87.3	Confident	110 Å²	110	47.5 Å²	47.5	42%	0.415	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-62.1	149.6	170.4	65.5	-176.3	172.8	164.6	1.1	110.6	L635 W642	R633-L635 HydrophobicContact CG-CD2 3.93Å; R633-L635 HydrophobicContact CG-CG 4.06Å; R633-L635 PolarHBondContact O-N 2.9Å; R633-W642 PolarHBondContact NH2-O 2.82Å; R633-W642 VanDerWaalsContact O-CD1 3.27Å; R633-W642 PolarHBondContact O-NE1 3.14Å
634	V	93.1	Very high	88.6	Confident	85 Å²	85	47.4 Å²	47.4	52%	0.515	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-76	123.2	173	-176.4	0	0	0	0	109.7	Y614 H615	Y614-V634 CarbonylContact O-C 3.6Å; Y614-V634 WeakPolarHBondContact O-CA 3.47Å; H615-V634 HydrophobicContact CB-CG2 4.06Å
635	L	93	Very high	90	Very high	22 Å²	22	48.3 Å²	48.3	12%	0.115	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.1	178.1	-65.9	179.6	0	0	0	110.8	N612 S613 Y614 R633 Q637 P640 R641 W642	N612-L635 VanDerWaalsContact O-O 3.05Å; S613-L635 WeakPolarHBondContact CA-O 3.05Å; Y614-L635 PolarHBondContact N-O 2.91Å; Y614-L635 PolarHBondContact O-N 2.86Å; R633-L635 HydrophobicContact CG-CD2 3.93Å; R633-L635 HydrophobicContact CG-CG 4.06Å; R633-L635 PolarHBondContact O-N 2.9Å; L635-Q637 HydrophobicContact CB-CG 4.2Å; L635-Q637 PolarHBondContact O-N 2.88Å; L635-P640 HydrophobicContact CB-CB 4.21Å; L635-P640 HydrophobicContact CD1-CB 4.27Å; L635-R641 WeakPolarHBondContact CD1-O 3.4Å; L635-W642 HydrophobicContact CD1-CB 4.44Å; L635-W642 VanDerWaalsContact CD1-CD1 3.4Å; L635-W642 HydrophobicContact CD1-CD2 4.12Å; L635-W642 HydrophobicContact CD1-CG 3.76Å
636	Q	91.9	Very high	91.2	Very high	161 Å²	161	46.6 Å²	46.6	75%	0.752	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	71.5	177.4	-67.8	-174.5	3.5	0	0	111.1	N612	N612-Q636 VanDerWaalsContact O-CA 3.31Å; N612-Q636 WeakPolarHBondContact O-CA 3.29Å
637	Q	91.3	Very high	91.8	Very high	71 Å²	71	46.6 Å²	46.6	33%	0.332	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	159.1	-176.9	65.2	-172.6	-6.4	0	0	111.5	N612 Y614 L635 P640	N612-Q637 PolarHBondContact O-N 3.15Å; Y614-Q637 VanDerWaalsContact CD2-O 3.3Å; Y614-Q637 WeakPolarHBondContact CD2-O 3.35Å; Y614-Q637 VanDerWaalsContact CE2-O 3.25Å; Y614-Q637 WeakPolarHBondContact CE2-O 3.44Å; L635-Q637 HydrophobicContact CB-CG 4.2Å; L635-Q637 PolarHBondContact O-N 2.88Å; Q637-P640 HydrophobicContact CG-CB 4.03Å
638	S	92	Very high	92.4	Very high	45 Å²	45	43.9 Å²	43.9	32%	0.315	22%	0.217	S	C	.	.	S	Bend	trans	-72.5	146.9	164.6	51.5	0	0	0	0	109.7	L608 E610	L608-S638 CarbonylContact O-C 3.58Å; L608-S638 VanDerWaalsContact O-CA 3.24Å; L608-S638 WeakPolarHBondContact O-CA 3.39Å; L608-S638 VanDerWaalsContact O-CB 3.25Å; L608-S638 WeakPolarHBondContact O-CB 3.42Å; E610-S638 WeakPolarHBondContact O-CA 3.37Å
639	N	93.1	Very high	92.1	Very high	47 Å²	47	44.8 Å²	44.8	25%	0.251	22%	0.222	S	C	.	.	S	Bend	trans	43.4	64.7	-178.2	-62	-30.1	0	0	0	112.8	I605 G607 L608 R641	I605-N639 CarbonylContact O-C 3.15Å; I605-N639 WeakPolarHBondContact O-CA 3.41Å; I605-N639 WeakPolarHBondContact O-CB 3.5Å; G607-N639 PolarHBondContact N-OD1 3.37Å; L608-N639 VanDerWaalsContact C-OD1 3.32Å; L608-N639 WeakPolarHBondContact CA-OD1 3.36Å; L608-N639 PolarHBondContact N-OD1 3.45Å; L608-N639 PolarHBondContact O-N 3.44Å; L608-N639 PolarHBondContact O-OD1 2.82Å; N639-R641 PolarHBondContact O-N 3.25Å
640	P	94.3	Very high	91.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.22	C	C	.	.			trans	-59.8	129	-172.6	26	-35.8	0	0	0	112.6	G604 I605 L608 Y614 L635 Q637 W642	G604-P640 WeakPolarHBondContact CA-O 3.28Å; I605-P640 PolarHBondContact N-O 3.4Å; I605-P640 VanDerWaalsContact N-O 3.1Å; L608-P640 HydrophobicContact CD1-CG 4.29Å; Y614-P640 HydrophobicContact CD2-CG 3.94Å; Y614-P640 HydrophobicContact CG-CG 4.13Å; L635-P640 HydrophobicContact CB-CB 4.21Å; L635-P640 HydrophobicContact CD1-CB 4.27Å; Q637-P640 HydrophobicContact CG-CB 4.03Å; P640-W642 HydrophobicContact CB-CD2 4.4Å; P640-W642 HydrophobicContact CB-CE3 4.27Å; P640-W642 HydrophobicContact CB-CH2 3.63Å; P640-W642 HydrophobicContact CB-CZ2 3.74Å; P640-W642 HydrophobicContact CB-CZ3 3.9Å; P640-W642 HydrophobicContact CG-CE3 4.46Å; P640-W642 HydrophobicContact CG-CH2 3.21Å; P640-W642 HydrophobicContact CG-CZ2 3.77Å; P640-W642 HydrophobicContact CG-CZ3 3.61Å
641	R	95.2	Very high	90.7	Very high	99 Å²	99	47.4 Å²	47.4	37%	0.374	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	110.6	168.3	-59.5	-59.4	-179.8	170.5	-5.1	109.4	H603 D606 L635 N639	H603-R641 CarbonylContact O-C 3.52Å; H603-R641 WeakPolarHBondContact O-CA 3.24Å; D606-R641 IonicContact OD1-CZ 3.11Å; D606-R641 IonicContact OD1-NH2 2.85Å; D606-R641 PolarHBondContact OD1-NH2 3.16Å; D606-R641 IonicContact OD2-CZ 3.05Å; D606-R641 IonicContact OD2-NH1 3.46Å; D606-R641 IonicContact OD2-NH2 2.94Å; D606-R641 PolarHBondContact OD2-NH2 2.78Å; L635-R641 WeakPolarHBondContact CD1-O 3.4Å; N639-R641 PolarHBondContact O-N 3.25Å
642	W	94.9	Very high	89.7	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-49.7	178.3	-71.8	-85.3	0	0	0	111.2	V602 H603 I605 V616 T632 R633 L635 P640 Q644 L660	V602-W642 HydrophobicContact CG1-CB 4.36Å; V602-W642 HydrophobicContact CG1-CD2 4.32Å; V602-W642 HydrophobicContact CG1-CE3 3.88Å; H603-W642 PolarHBondContact O-N 2.67Å; I605-W642 HydrophobicContact CB-CZ3 4.4Å; I605-W642 HydrophobicContact CD1-CH2 3.94Å; I605-W642 HydrophobicContact CD1-CZ3 3.82Å; I605-W642 HydrophobicContact CG1-CZ3 4.03Å; V616-W642 HydrophobicContact CG2-CE3 4.3Å; V616-W642 HydrophobicContact CG2-CH2 3.69Å; V616-W642 HydrophobicContact CG2-CZ2 4.04Å; V616-W642 HydrophobicContact CG2-CZ3 3.85Å; T632-W642 HydrophobicContact CG2-CB 4.42Å; T632-W642 HydrophobicContact CG2-CG 4.14Å; T632-W642 PolarHBondContact OG1-NE1 2.9Å; T632-W642 VanDerWaalsContact OG1-NE1 3.07Å; R633-W642 PolarHBondContact NH2-O 2.82Å; R633-W642 VanDerWaalsContact O-CD1 3.27Å; R633-W642 PolarHBondContact O-NE1 3.14Å; L635-W642 HydrophobicContact CD1-CB 4.44Å; L635-W642 VanDerWaalsContact CD1-CD1 3.4Å; L635-W642 HydrophobicContact CD1-CD2 4.12Å; L635-W642 HydrophobicContact CD1-CG 3.76Å; P640-W642 HydrophobicContact CB-CD2 4.4Å; P640-W642 HydrophobicContact CB-CE3 4.27Å; P640-W642 HydrophobicContact CB-CH2 3.63Å; P640-W642 HydrophobicContact CB-CZ2 3.74Å; P640-W642 HydrophobicContact CB-CZ3 3.9Å; P640-W642 HydrophobicContact CG-CE3 4.46Å; P640-W642 HydrophobicContact CG-CH2 3.21Å; P640-W642 HydrophobicContact CG-CZ2 3.77Å; P640-W642 HydrophobicContact CG-CZ3 3.61Å; W642-Q644 HydrophobicContact CB-CB 4.47Å; W642-Q644 HydrophobicContact CB-CG 4.29Å; W642-Q644 PolarHBondContact O-N 2.93Å; W642-L660 HydrophobicContact CH2-CD1 3.97Å
643	E	93.5	Very high	89	Confident	93 Å²	93	45.2 Å²	45.2	44%	0.435	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	48.9	47.5	-171.1	-55.6	-55.4	146.8	0	0	111.5	V602 H603	V602-E643 WeakPolarHBondContact O-CA 3.3Å; V602-E643 PolarHBondContact O-N 2.88Å; H603-E643 WeakPolarHBondContact CA-OE1 3.18Å; H603-E643 WeakPolarHBondContact CB-OE1 3.47Å; H603-E643 IonicContact CE1-OE2 2.97Å; H603-E643 IonicContact CG-OE2 3.35Å; H603-E643 IonicContact ND1-OE1 3.41Å; H603-E643 IonicContact ND1-OE2 2.68Å; H603-E643 PolarHBondContact ND1-OE2 3.07Å; H603-E643 PolarHBondContact O-N 2.79Å; H603-E643 VanDerWaalsContact O-N 3.17Å
644	Q	94	Very high	88.4	Confident	7 Å²	7	41.5 Å²	41.5	3%	0.033	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.2	-178.6	-70.7	-170.4	-59.8	0	0	111.2	T601 V602 T632 W642 F646 S782	T601-Q644 WeakPolarHBondContact CA-O 3.37Å; V602-Q644 PolarHBondContact N-O 3.15Å; V602-Q644 PolarHBondContact O-N 2.77Å; V602-Q644 VanDerWaalsContact O-N 3.11Å; T632-Q644 VanDerWaalsContact CB-OE1 3.22Å; W642-Q644 HydrophobicContact CB-CB 4.47Å; W642-Q644 HydrophobicContact CB-CG 4.29Å; W642-Q644 PolarHBondContact O-N 2.93Å; Q644-F646 HydrophobicContact CB-CE2 3.84Å; Q644-F646 HydrophobicContact CB-CZ 3.93Å; Q644-S782 PolarHBondContact NE2-OG 3.26Å
645	S	93.8	Very high	87.9	Confident	21 Å²	21	37.7 Å²	37.7	15%	0.147	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	148.9	173.1	-53.3	0	0	0	0	112.6	A600 T601 N783	A600-S645 CarbonylContact O-C 3.58Å; A600-S645 VanDerWaalsContact O-CA 3.3Å; A600-S645 WeakPolarHBondContact O-CA 3.25Å; T601-S645 WeakPolarHBondContact CG2-OG 3.32Å; T601-S645 PolarHBondContact OG1-OG 3.29Å; S645-N783 WeakPolarHBondContact O-CB 2.99Å; S645-N783 PolarHBondContact O-N 2.82Å
646	F	93.6	Very high	87.7	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	134.2	178.6	-54.7	-89.9	0	0	0	110.2	K599 A600 I618 A630 C631 T632 Q644 L648	K599-F646 WeakPolarHBondContact CA-O 3.5Å; A600-F646 PolarHBondContact N-O 3.26Å; A600-F646 PolarHBondContact O-N 2.96Å; I618-F646 HydrophobicContact CD1-CD2 3.8Å; I618-F646 HydrophobicContact CD1-CE2 4.15Å; I618-F646 HydrophobicContact CD1-CG 4.49Å; A630-F646 HydrophobicContact CB-CB 4.05Å; A630-F646 HydrophobicContact CB-CD1 3.55Å; A630-F646 HydrophobicContact CB-CD2 4.24Å; A630-F646 HydrophobicContact CB-CE1 4.01Å; A630-F646 HydrophobicContact CB-CG 3.68Å; C631-F646 WeakPolarHBondContact O-CE1 3.38Å; C631-F646 WeakPolarHBondContact O-CZ 3.14Å; T632-F646 HydrophobicContact CG2-CE2 3.97Å; T632-F646 HydrophobicContact CG2-CZ 4.05Å; Q644-F646 HydrophobicContact CB-CE2 3.84Å; Q644-F646 HydrophobicContact CB-CZ 3.93Å; F646-L648 HydrophobicContact CB-CD2 3.72Å; F646-L648 HydrophobicContact CB-CG 4.34Å
647	D	88.8	Confident	87.7	Confident	36 Å²	36	29 Å²	29	19%	0.193	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	109.4	170.6	-64.2	-6.8	0	0	0	108.7	R717 C780 N783	D647-R717 IonicContact OD2-NH2 2.65Å; D647-R717 PolarHBondContact OD2-NH2 3.48Å; D647-C780 PolarHBondContact O-SG 2.61Å; D647-N783 PolarHBondContact OD1-ND2 3.43Å
648	L	88.5	Confident	87.8	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	125.1	-173.7	-50.2	178.9	0	0	0	110.4	Y597 I598 A600 I618 V620 V629 A630 F646 V650 I656	Y597-L648 CarbonylContact C-O 3.58Å; Y597-L648 VanDerWaalsContact CA-O 3.27Å; Y597-L648 WeakPolarHBondContact CA-O 3.36Å; I598-L648 PolarHBondContact N-O 2.78Å; I598-L648 WeakPolarHBondContact O-CA 3.29Å; I598-L648 VanDerWaalsContact O-CB 3.32Å; I598-L648 WeakPolarHBondContact O-CB 3.37Å; I598-L648 PolarHBondContact O-N 3.34Å; A600-L648 HydrophobicContact CB-CD1 3.66Å; A600-L648 HydrophobicContact CB-CG 4.34Å; I618-L648 HydrophobicContact CG2-CD1 3.95Å; V620-L648 HydrophobicContact CG2-CD1 4.37Å; V629-L648 HydrophobicContact CB-CD2 4.13Å; V629-L648 HydrophobicContact CG2-CD1 3.95Å; V629-L648 HydrophobicContact CG2-CD2 3.79Å; V629-L648 HydrophobicContact CG2-CG 4.33Å; A630-L648 HydrophobicContact CB-CD2 3.83Å; F646-L648 HydrophobicContact CB-CD2 3.72Å; F646-L648 HydrophobicContact CB-CG 4.34Å; L648-V650 HydrophobicContact CB-CG1 4.38Å; L648-I656 HydrophobicContact CD1-CD1 3.7Å
649	E	81.5	Confident	87.9	Confident	84 Å²	84	23.7 Å²	23.7	39%	0.393	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.8	169.8	-172.2	176.9	-179.4	0	0	109	Y597 Y897	Y597-E649 HydrophobicContact CD1-CB 4.2Å; Y597-E649 HydrophobicContact CE1-CB 3.87Å; Y597-E649 HydrophobicContact CE1-CG 4.08Å; E649-Y897 WeakPolarHBondContact OE2-CE1 3.31Å; E649-Y897 PolarHBondContact OE2-OH 3.01Å
650	V	79.7	Confident	87.9	Confident	6 Å²	6	21.4 Å²	21.4	4%	0.036	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.8	-176.1	-55.4	0	0	0	0	110.9	I594 T595 G596 I598 V620 L648 A653	I594-V650 HydrophobicContact CG2-CG2 3.97Å; T595-V650 WeakPolarHBondContact CA-O 3.28Å; G596-V650 PolarHBondContact N-O 3.36Å; G596-V650 PolarHBondContact O-N 2.75Å; I598-V650 HydrophobicContact CB-CG1 4.5Å; I598-V650 HydrophobicContact CD1-CB 4.49Å; I598-V650 HydrophobicContact CD1-CG1 3.99Å; I598-V650 HydrophobicContact CD1-CG2 3.82Å; I598-V650 HydrophobicContact CG1-CG1 4.23Å; I598-V650 HydrophobicContact CG1-CG2 3.9Å; V620-V650 HydrophobicContact CG1-CB 4.26Å; V620-V650 HydrophobicContact CG1-CG1 3.78Å; V620-V650 HydrophobicContact CG2-CG1 4.34Å; L648-V650 HydrophobicContact CB-CG1 4.38Å; V650-A653 HydrophobicContact CB-CB 3.96Å; V650-A653 HydrophobicContact CG2-CB 4.44Å
651	D	73.5	Confident	87.8	Confident	59 Å²	59	23.3 Å²	23.3	32%	0.316	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	110.2	-179.2	176	-1.7	0	0	0	109.8	R455 S622 A653	R455-D651 IonicContact CZ-OD1 2.93Å; R455-D651 IonicContact CZ-OD2 2.62Å; R455-D651 VanDerWaalsContact NH1-CG 3.27Å; R455-D651 IonicContact NH1-OD1 3.18Å; R455-D651 PolarHBondContact NH1-OD1 2.91Å; R455-D651 IonicContact NH1-OD2 3.36Å; R455-D651 PolarHBondContact NH1-OD2 3.34Å; R455-D651 IonicContact NH2-OD1 2.86Å; R455-D651 PolarHBondContact NH2-OD1 3.47Å; R455-D651 IonicContact NH2-OD2 3.93Å; R455-D651 PolarHBondContact NH2-OD2 2.8Å; S622-D651 WeakPolarHBondContact CA-O 3.21Å; S622-D651 VanDerWaalsContact CB-O 3.3Å; S622-D651 WeakPolarHBondContact CB-O 3.5Å; S622-D651 PolarHBondContact OG-O 3Å; D651-A653 VanDerWaalsContact C-N 3.3Å; D651-A653 PolarHBondContact O-N 3.12Å
652	G	71.5	Confident	87.6	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.7	36.6	175.4	0	0	0	0	0	112	I594 T595 Y623	I594-G652 PolarHBondContact O-N 3.34Å; T595-G652 PolarHBondContact OG1-N 3.31Å; Y623-G652 PolarHBondContact N-O 2.75Å; Y623-G652 VanDerWaalsContact N-O 3.13Å
653	A	79.9	Confident	87.2	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	138.1	-173.2	0	0	0	0	0	112.2	I594 V620 D621 V650 D651 L674	I594-A653 PolarHBondContact N-O 2.78Å; I594-A653 PolarHBondContact O-N 3.4Å; V620-A653 HydrophobicContact CG1-CB 3.55Å; D621-A653 VanDerWaalsContact O-CA 3.23Å; D621-A653 WeakPolarHBondContact O-CA 3.41Å; D621-A653 WeakPolarHBondContact O-CB 3.36Å; V650-A653 HydrophobicContact CB-CB 3.96Å; V650-A653 HydrophobicContact CG2-CB 4.44Å; D651-A653 VanDerWaalsContact C-N 3.3Å; D651-A653 PolarHBondContact O-N 3.12Å; A653-L674 HydrophobicContact CB-CD1 3.87Å
654	W	79	Confident	86.5	Confident	31 Å²	31	27.4 Å²	27.4	12%	0.117	13%	0.133	C	C	.	.	S	Bend	trans	-116.8	-19.9	175.5	-71.9	85.4	0	0	0	112.7	S586 D589 D591 P593 D621 F673 L674	S586-W654 VanDerWaalsContact O-CE2 3.27Å; S586-W654 WeakPolarHBondContact O-CZ2 3.35Å; S586-W654 PolarHBondContact O-NE1 3.06Å; D589-W654 HydrophobicContact CB-CH2 3.56Å; D589-W654 HydrophobicContact CB-CZ2 4.01Å; D589-W654 HydrophobicContact CB-CZ3 4.16Å; D591-W654 HydrophobicContact CB-CH2 3.75Å; D591-W654 HydrophobicContact CB-CZ3 3.98Å; D591-W654 WeakPolarHBondContact O-CH2 3.46Å; D591-W654 VanDerWaalsContact O-CZ2 3.26Å; D591-W654 WeakPolarHBondContact O-CZ2 3.27Å; P593-W654 HydrophobicContact CB-CZ2 4.28Å; D621-W654 PolarHBondContact OD1-N 3.35Å; W654-F673 CarbonylContact O-C 3.58Å; W654-F673 WeakPolarHBondContact O-CA 3.08Å; W654-L674 PolarHBondContact O-N 3.46Å
655	T	82.9	Confident	85.9	Confident	6 Å²	6	34 Å²	34	4%	0.037	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	142.4	-170.6	54.1	0	0	0	0	110.6	D621 Y626 V672 F673	D621-T655 PolarHBondContact N-O 2.97Å; D621-T655 PolarHBondContact OD1-N 3.45Å; D621-T655 VanDerWaalsContact OD1-O 3.04Å; D621-T655 PolarHBondContact OD1-OG1 2.83Å; Y626-T655 VanDerWaalsContact CE1-OG1 3.32Å; Y626-T655 WeakPolarHBondContact CE1-OG1 3.41Å; Y626-T655 WeakPolarHBondContact OH-CB 3.49Å; Y626-T655 PolarHBondContact OH-OG1 2.88Å; T655-V672 VanDerWaalsContact CA-O 3.29Å; T655-V672 WeakPolarHBondContact CA-O 3.2Å; T655-F673 HydrophobicContact CG2-CD1 3.61Å; T655-F673 HydrophobicContact CG2-CE1 3.79Å; T655-F673 HydrophobicContact CG2-CG 4.38Å
656	I	89.3	Confident	85.4	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.8	168.6	-174.4	163.4	0	0	0	108.4	A600 I618 E619 V620 L648 F658 E671 V672 L674 L705	A600-I656 HydrophobicContact CB-CD1 4.39Å; I618-I656 HydrophobicContact CG2-CD1 3.63Å; I618-I656 HydrophobicContact CG2-CG1 3.73Å; E619-I656 CarbonylContact O-C 3.58Å; V620-I656 HydrophobicContact CG2-CB 4.18Å; V620-I656 HydrophobicContact CG2-CD1 3.76Å; V620-I656 HydrophobicContact CG2-CG1 3.71Å; L648-I656 HydrophobicContact CD1-CD1 3.7Å; I656-F658 HydrophobicContact CD1-CE2 4.41Å; I656-F658 HydrophobicContact CD1-CZ 4.03Å; I656-F658 HydrophobicContact CG1-CE2 4.13Å; I656-F658 HydrophobicContact CG1-CZ 4.21Å; I656-F658 HydrophobicContact CG2-CE2 3.98Å; I656-E671 WeakPolarHBondContact O-CA 3.39Å; I656-V672 HydrophobicContact CG2-CB 3.77Å; I656-V672 HydrophobicContact CG2-CG1 4.42Å; I656-V672 PolarHBondContact N-O 2.72Å; I656-V672 PolarHBondContact O-N 2.93Å; I656-L674 HydrophobicContact CB-CD1 4.26Å; I656-L674 HydrophobicContact CB-CD2 4.22Å; I656-L674 HydrophobicContact CB-CG 4.37Å; I656-L674 HydrophobicContact CG2-CD2 3.66Å; I656-L674 HydrophobicContact CG2-CG 4.17Å; I656-L705 HydrophobicContact CD1-CD2 4.17Å; I656-L705 HydrophobicContact CG2-CD1 3.84Å
657	C	91.2	Very high	85.2	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.5	-179.6	-75.1	0	0	0	0	110.2	R514 I618 E619 Y626 L670	R514-C657 PolarHBondContact NH1-SG 2.97Å; R514-C657 VanDerWaalsContact NH1-SG 3.38Å; R514-C657 PolarHBondContact NH2-SG 3.39Å; I618-C657 CarbonylContact C-O 3.57Å; I618-C657 WeakPolarHBondContact CA-O 3.34Å; E619-C657 HydrophobicContact CB-CB 4.35Å; E619-C657 PolarHBondContact N-O 3.07Å; E619-C657 PolarHBondContact O-N 2.67Å; Y626-C657 HydrophobicContact CE1-CB 4.38Å; Y626-C657 VanDerWaalsContact CE1-SG 3.53Å; C657-L670 CarbonylContact C-O 3.52Å; C657-L670 WeakPolarHBondContact CA-O 3.42Å
658	F	94.4	Very high	85.2	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	113.5	171.6	-57.9	-92.8	0	0	0	108.6	A600 V602 V616 I618 I656 E669 L670 V672 F701 V703 L705	A600-F658 HydrophobicContact CB-CE1 4.5Å; A600-F658 HydrophobicContact CB-CZ 4.49Å; V602-F658 HydrophobicContact CG2-CD1 3.93Å; V602-F658 HydrophobicContact CG2-CE1 3.94Å; V616-F658 HydrophobicContact CG1-CB 4.01Å; V616-F658 HydrophobicContact CG1-CD1 4.24Å; I618-F658 HydrophobicContact CD1-CD1 4.12Å; I618-F658 HydrophobicContact CD1-CE1 3.83Å; I618-F658 HydrophobicContact CG1-CD1 3.86Å; I618-F658 HydrophobicContact CG1-CE1 4.04Å; I618-F658 HydrophobicContact CG2-CD1 4.42Å; I618-F658 HydrophobicContact CG2-CE1 4.24Å; I656-F658 HydrophobicContact CD1-CE2 4.41Å; I656-F658 HydrophobicContact CD1-CZ 4.03Å; I656-F658 HydrophobicContact CG1-CE2 4.13Å; I656-F658 HydrophobicContact CG1-CZ 4.21Å; I656-F658 HydrophobicContact CG2-CE2 3.98Å; F658-E669 CarbonylContact O-C 3.56Å; F658-E669 WeakPolarHBondContact O-CA 3.21Å; F658-L670 HydrophobicContact CB-CB 4.28Å; F658-L670 HydrophobicContact CD2-CD2 4.26Å; F658-L670 HydrophobicContact CD2-CG 4.33Å; F658-L670 PolarHBondContact N-O 3.29Å; F658-L670 PolarHBondContact O-N 3.37Å; F658-V672 HydrophobicContact CD2-CG2 4.49Å; F658-V672 HydrophobicContact CE2-CG2 4.2Å; F658-F701 HydrophobicContact CB-CE1 4.33Å; F658-F701 HydrophobicContact CB-CE2 3.99Å; F658-F701 HydrophobicContact CB-CZ 3.69Å; F658-F701 HydrophobicContact CG-CZ 4.41Å; F658-V703 HydrophobicContact CD1-CG1 3.9Å; F658-V703 HydrophobicContact CD2-CG1 4.18Å; F658-V703 HydrophobicContact CD2-CG2 4.46Å; F658-V703 HydrophobicContact CE1-CB 4.31Å; F658-V703 HydrophobicContact CE1-CG1 3.83Å; F658-V703 HydrophobicContact CE2-CB 4.29Å; F658-V703 HydrophobicContact CE2-CG1 4.13Å; F658-V703 HydrophobicContact CE2-CG2 3.94Å; F658-V703 HydrophobicContact CG-CG1 4.07Å; F658-V703 HydrophobicContact CZ-CB 4.03Å; F658-V703 HydrophobicContact CZ-CG1 3.94Å; F658-V703 HydrophobicContact CZ-CG2 4.13Å; F658-L705 HydrophobicContact CZ-CD2 3.93Å
659	I	92.6	Very high	85.2	Confident	4 Å²	4	36 Å²	36	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	114.8	-175.1	-51.5	175.5	0	0	0	108.5	V616 R617 E619 Y661 M666	V616-I659 CarbonylContact C-O 3.59Å; V616-I659 VanDerWaalsContact CA-O 3.29Å; V616-I659 WeakPolarHBondContact CA-O 3.2Å; R617-I659 PolarHBondContact N-O 3.16Å; R617-I659 PolarHBondContact O-N 3.37Å; E619-I659 VanDerWaalsContact CD-CD1 3.46Å; E619-I659 HydrophobicContact CG-CD1 4.04Å; E619-I659 WeakPolarHBondContact OE2-CD1 3.47Å; I659-Y661 HydrophobicContact CB-CD2 4.39Å; I659-Y661 HydrophobicContact CB-CE2 3.91Å; I659-Y661 HydrophobicContact CG2-CD2 3.9Å; I659-Y661 HydrophobicContact CG2-CE2 3.35Å; I659-M666 HydrophobicContact CG2-CB 4.43Å; I659-M666 HydrophobicContact CG2-CG 3.55Å; I659-M666 HydrophobicContact CG2-SD 3.71Å
660	L	94.6	Very high	85.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	124.3	175.2	174.3	63.8	0	0	0	109.8	I605 L608 Y614 V616 W642 L667 A668 L699 F701	I605-L660 HydrophobicContact CD1-CB 4.09Å; I605-L660 HydrophobicContact CD1-CD1 3.43Å; I605-L660 VanDerWaalsContact CD1-CD1 3.43Å; I605-L660 HydrophobicContact CD1-CD2 3.59Å; I605-L660 HydrophobicContact CD1-CG 3.86Å; L608-L660 HydrophobicContact CD1-CD2 3.99Å; Y614-L660 HydrophobicContact CD1-CD1 4.28Å; V616-L660 HydrophobicContact CG2-CD1 4.29Å; W642-L660 HydrophobicContact CH2-CD1 3.97Å; L660-L667 HydrophobicContact CD2-CB 4.15Å; L660-L667 HydrophobicContact CD2-CD2 3.86Å; L660-L667 HydrophobicContact CD2-CG 4.14Å; L660-L667 HydrophobicContact CG-CB 4.17Å; L660-L667 HydrophobicContact CG-CD2 4.47Å; L660-L667 PolarHBondContact O-N 2.96Å; L660-A668 HydrophobicContact CB-CB 4.32Å; L660-A668 HydrophobicContact CD2-CB 4.16Å; L660-A668 PolarHBondContact N-O 3.14Å; L660-A668 PolarHBondContact O-N 2.85Å; L660-L699 HydrophobicContact CD2-CD1 3.91Å; L660-F701 HydrophobicContact CB-CE2 4.46Å
661	Y	92.2	Very high	86	Confident	40 Å²	40	34.2 Å²	34.2	16%	0.157	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	141.4	172.8	-79.1	-94.9	0	0	0	111.3	Y614 H615 R617 I659 E665 M666	Y614-Y661 VanDerWaalsContact CA-O 3.28Å; Y614-Y661 WeakPolarHBondContact CA-O 3.36Å; H615-Y661 WeakPolarHBondContact CE1-CB 3.39Å; H615-Y661 AromaticContact CE1-CG 3.84Å; H615-Y661 PolarHBondContact N-O 2.95Å; H615-Y661 VanDerWaalsContact N-O 3.1Å; H615-Y661 AromaticContact NE2-CG 3.8Å; H615-Y661 PolarHBondContact O-N 2.92Å; R617-Y661 HydrophobicContact CB-CE2 4.29Å; R617-Y661 HydrophobicContact CG-CD2 4Å; R617-Y661 HydrophobicContact CG-CE2 3.97Å; I659-Y661 HydrophobicContact CB-CD2 4.39Å; I659-Y661 HydrophobicContact CB-CE2 3.91Å; I659-Y661 HydrophobicContact CG2-CD2 3.9Å; I659-Y661 HydrophobicContact CG2-CE2 3.35Å; Y661-E665 CarbonylContact C-O 3.29Å; Y661-E665 VanDerWaalsContact CA-O 3.27Å; Y661-E665 WeakPolarHBondContact CA-O 3.45Å; Y661-E665 VanDerWaalsContact CD1-C 3.49Å; Y661-E665 WeakPolarHBondContact CD1-O 3.36Å; Y661-M666 HydrophobicContact CE1-CB 4.16Å
662	V	91.4	Very high	86.6	Confident	20 Å²	20	32 Å²	32	12%	0.121	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.8	161.4	64.7	0	0	0	0	107.9	N612 Y614 Q664 E665 L667	N612-V662 HydrophobicContact CB-CG2 3.53Å; Y614-V662 HydrophobicContact CD1-CB 3.93Å; Y614-V662 HydrophobicContact CD1-CG2 4.02Å; Y614-V662 HydrophobicContact CE1-CB 3.84Å; Y614-V662 HydrophobicContact CE1-CG2 3.66Å; V662-Q664 PolarHBondContact O-N 3.4Å; V662-E665 HydrophobicContact CG1-CB 4.48Å; V662-E665 PolarHBondContact N-O 3.41Å; V662-E665 PolarHBondContact O-N 3.01Å; V662-L667 HydrophobicContact CB-CB 4.48Å; V662-L667 HydrophobicContact CB-CD2 4.33Å; V662-L667 HydrophobicContact CG1-CB 4.12Å; V662-L667 HydrophobicContact CG1-CD2 4.4Å
663	H	86	Confident	87.1	Confident	99 Å²	99	36.4 Å²	36.4	46%	0.458	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	-100.4	-168.7	-53.1	-63.5	0	0	0	112.4	S613 H615	S613-H663 PolarHBondContact O-N 2.98Å; S613-H663 PolarHBondContact OG-CE1 2.57Å; S613-H663 PolarHBondContact OG-ND1 2.88Å; H615-H663 PolarHBondContact CE1-O 2.81Å; H615-H663 VanDerWaalsContact CE1-O 3.29Å
664	Q	79	Confident	87.1	Confident	163 Å²	163	36.7 Å²	36.7	76%	0.762	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123	6.7	177.6	-63.2	-174.1	-8.8	0	0	112.5	V662	V662-Q664 PolarHBondContact O-N 3.4Å
665	E	80.8	Confident	86.9	Confident	146 Å²	146	37.3 Å²	37.3	68%	0.682	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107	137.8	-177.1	-63.1	-172.5	164.1	0	0	110.9	Y661 V662 L667	Y661-E665 CarbonylContact C-O 3.29Å; Y661-E665 VanDerWaalsContact CA-O 3.27Å; Y661-E665 WeakPolarHBondContact CA-O 3.45Å; Y661-E665 VanDerWaalsContact CD1-C 3.49Å; Y661-E665 WeakPolarHBondContact CD1-O 3.36Å; V662-E665 HydrophobicContact CG1-CB 4.48Å; V662-E665 PolarHBondContact N-O 3.41Å; V662-E665 PolarHBondContact O-N 3.01Å; E665-L667 PolarHBondContact O-N 2.68Å
666	M	84.1	Confident	86.4	Confident	47 Å²	47	41.6 Å²	41.6	23%	0.232	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	110.7	178.1	180	176.3	101.6	0	0	110	I659 Y661 N692	I659-M666 HydrophobicContact CG2-CB 4.43Å; I659-M666 HydrophobicContact CG2-CG 3.55Å; I659-M666 HydrophobicContact CG2-SD 3.71Å; Y661-M666 HydrophobicContact CE1-CB 4.16Å; M666-N692 WeakPolarHBondContact CE-ND2 3.5Å; M666-N692 PolarHBondContact O-ND2 3.38Å
667	L	88.3	Confident	85.4	Confident	8 Å²	8	43.7 Å²	43.7	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-43	-177.6	-176.9	58.9	0	0	0	112.4	L608 Y614 L660 V662 E665 T691 N692 E693	L608-L667 HydrophobicContact CD2-CD2 3.69Å; Y614-L667 HydrophobicContact CD1-CD2 4.42Å; Y614-L667 HydrophobicContact CE1-CD2 3.85Å; L660-L667 HydrophobicContact CD2-CB 4.15Å; L660-L667 HydrophobicContact CD2-CD2 3.86Å; L660-L667 HydrophobicContact CD2-CG 4.14Å; L660-L667 HydrophobicContact CG-CB 4.17Å; L660-L667 HydrophobicContact CG-CD2 4.47Å; L660-L667 PolarHBondContact O-N 2.96Å; V662-L667 HydrophobicContact CB-CB 4.48Å; V662-L667 HydrophobicContact CB-CD2 4.33Å; V662-L667 HydrophobicContact CG1-CB 4.12Å; V662-L667 HydrophobicContact CG1-CD2 4.4Å; E665-L667 PolarHBondContact O-N 2.68Å; L667-T691 HydrophobicContact CD1-CG2 4.01Å; L667-T691 HydrophobicContact CG-CG2 3.99Å; L667-T691 CarbonylContact O-C 3.57Å; L667-T691 VanDerWaalsContact O-CA 3.24Å; L667-T691 WeakPolarHBondContact O-CA 3.42Å; L667-T691 WeakPolarHBondContact O-CB 3.49Å; L667-N692 PolarHBondContact O-N 3.25Å; L667-E693 VanDerWaalsContact CD1-CD 3.42Å; L667-E693 HydrophobicContact CD1-CG 3.71Å; L667-E693 WeakPolarHBondContact CD1-OE2 3.32Å
668	A	88.9	Confident	84.4	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	169.4	-179.2	0	0	0	0	0	110.7	L660 I689 L699	L660-A668 HydrophobicContact CB-CB 4.32Å; L660-A668 HydrophobicContact CD2-CB 4.16Å; L660-A668 PolarHBondContact N-O 3.14Å; L660-A668 PolarHBondContact O-N 2.85Å; A668-I689 HydrophobicContact CB-CD1 3.73Å; A668-I689 HydrophobicContact CB-CG1 4.4Å; A668-L699 HydrophobicContact CB-CD1 4.1Å
669	E	89.5	Confident	83.5	Confident	42 Å²	42	45.4 Å²	45.4	20%	0.196	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	147.7	175.7	61.9	-177.3	-133.7	0	0	112	R514 F658	R514-E669 WeakPolarHBondContact CD-OE1 3.44Å; R514-E669 WeakPolarHBondContact CD-OE2 3.44Å; R514-E669 VanDerWaalsContact CZ-CD 3.5Å; R514-E669 IonicContact CZ-OE1 3.95Å; R514-E669 IonicContact CZ-OE2 2.69Å; R514-E669 VanDerWaalsContact NE-CD 3.31Å; R514-E669 IonicContact NE-OE1 2.99Å; R514-E669 PolarHBondContact NE-OE1 2.69Å; R514-E669 IonicContact NE-OE2 3.4Å; R514-E669 PolarHBondContact NE-OE2 2.73Å; R514-E669 VanDerWaalsContact NH1-CD 3.29Å; R514-E669 IonicContact NH1-OE1 2.77Å; R514-E669 PolarHBondContact NH1-OE1 3Å; R514-E669 IonicContact NH1-OE2 3.18Å; R514-E669 PolarHBondContact NH1-OE2 3.1Å; F658-E669 CarbonylContact O-C 3.56Å; F658-E669 WeakPolarHBondContact O-CA 3.21Å
670	L	90.6	Very high	82.4	Confident	13 Å²	13	51 Å²	51	7%	0.068	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.5	169.3	169.6	61.5	0	0	0	107.9	C657 F658 V672 A687 I689 F701 V703	C657-L670 CarbonylContact C-O 3.52Å; C657-L670 WeakPolarHBondContact CA-O 3.42Å; F658-L670 HydrophobicContact CB-CB 4.28Å; F658-L670 HydrophobicContact CD2-CD2 4.26Å; F658-L670 HydrophobicContact CD2-CG 4.33Å; F658-L670 PolarHBondContact N-O 3.29Å; F658-L670 PolarHBondContact O-N 3.37Å; L670-V672 HydrophobicContact CD1-CG2 4.25Å; L670-V672 HydrophobicContact CD2-CG2 4.28Å; L670-V672 HydrophobicContact CG-CG2 4.02Å; L670-A687 HydrophobicContact CD1-CB 3.37Å; L670-A687 HydrophobicContact CD2-CB 4.01Å; L670-A687 HydrophobicContact CG-CB 4.32Å; L670-I689 HydrophobicContact CB-CG2 4.17Å; L670-I689 HydrophobicContact CD1-CG2 4.1Å; L670-F701 HydrophobicContact CB-CD2 4.13Å; L670-F701 HydrophobicContact CB-CG 4.35Å; L670-F701 HydrophobicContact CD2-CB 4.17Å; L670-F701 HydrophobicContact CD2-CD1 4.11Å; L670-F701 HydrophobicContact CD2-CG 4.05Å; L670-V703 HydrophobicContact CD2-CG1 4.31Å; L670-V703 HydrophobicContact CD2-CG2 3.92Å
671	E	86.3	Confident	80.8	Confident	41 Å²	41	58.7 Å²	58.7	19%	0.192	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.2	174	-179.6	172.6	-172	0	0	109	R514 R582 Y626 I656	R514-E671 IonicContact NH1-OE2 3.74Å; R582-E671 VanDerWaalsContact CZ-CD 3.5Å; R582-E671 IonicContact CZ-OE1 3.12Å; R582-E671 IonicContact CZ-OE2 3.28Å; R582-E671 IonicContact NE-OE1 2.58Å; R582-E671 IonicContact NH1-OE1 3.28Å; R582-E671 PolarHBondContact NH1-OE1 2.85Å; R582-E671 IonicContact NH1-OE2 2.98Å; R582-E671 PolarHBondContact NH1-OE2 2.88Å; R582-E671 IonicContact NH2-OE1 3.5Å; R582-E671 IonicContact NH2-OE2 2.8Å; R582-E671 PolarHBondContact NH2-OE2 3.48Å; Y626-E671 PolarHBondContact OH-OE1 2.79Å; I656-E671 WeakPolarHBondContact O-CA 3.39Å
672	V	86.3	Confident	79.6	Confident	12 Å²	12	60.2 Å²	60.2	7%	0.073	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.4	-179.4	-178.7	0	0	0	0	108.1	T655 I656 F658 L670 I685 L705	T655-V672 VanDerWaalsContact CA-O 3.29Å; T655-V672 WeakPolarHBondContact CA-O 3.2Å; I656-V672 HydrophobicContact CG2-CB 3.77Å; I656-V672 HydrophobicContact CG2-CG1 4.42Å; I656-V672 PolarHBondContact N-O 2.72Å; I656-V672 PolarHBondContact O-N 2.93Å; F658-V672 HydrophobicContact CD2-CG2 4.49Å; F658-V672 HydrophobicContact CE2-CG2 4.2Å; L670-V672 HydrophobicContact CD1-CG2 4.25Å; L670-V672 HydrophobicContact CD2-CG2 4.28Å; L670-V672 HydrophobicContact CG-CG2 4.02Å; V672-I685 HydrophobicContact CG1-CD1 3.62Å; V672-I685 HydrophobicContact CG2-CD1 4.11Å; V672-L705 HydrophobicContact CB-CD1 4.29Å; V672-L705 HydrophobicContact CG1-CD1 3.74Å
673	F	81.4	Confident	78.5	Confident	92 Å²	92	61.2 Å²	61.2	40%	0.404	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	137	170.9	-69.7	-83.4	0	0	0	109.7	W654 T655 T678	W654-F673 CarbonylContact O-C 3.58Å; W654-F673 WeakPolarHBondContact O-CA 3.08Å; T655-F673 HydrophobicContact CG2-CD1 3.61Å; T655-F673 HydrophobicContact CG2-CE1 3.79Å; T655-F673 HydrophobicContact CG2-CG 4.38Å; F673-T678 PolarHBondContact O-OG1 3.47Å
674	L	80.5	Confident	78.5	Confident	7 Å²	7	62 Å²	62	4%	0.037	31%	0.307	C	S	.	.			trans	-100.6	111.5	179.8	-62.2	176.8	0	0	0	108.4	I594 I598 A653 W654 I656 L679 L705	I594-L674 HydrophobicContact CG1-CB 3.92Å; I598-L674 HydrophobicContact CD1-CD1 3.71Å; I598-L674 HydrophobicContact CD1-CD2 3.89Å; I598-L674 HydrophobicContact CD1-CG 4.36Å; A653-L674 HydrophobicContact CB-CD1 3.87Å; W654-L674 PolarHBondContact O-N 3.46Å; I656-L674 HydrophobicContact CB-CD1 4.26Å; I656-L674 HydrophobicContact CB-CD2 4.22Å; I656-L674 HydrophobicContact CB-CG 4.37Å; I656-L674 HydrophobicContact CG2-CD2 3.66Å; I656-L674 HydrophobicContact CG2-CG 4.17Å; L674-L679 HydrophobicContact CD2-CD2 4.1Å; L674-L705 HydrophobicContact CD2-CD1 4.05Å
675	D	75.4	Confident	78.8	Confident	44 Å²	44	56 Å²	56	24%	0.235	28%	0.28	C	S	.	.			trans	-133.1	170.1	166.5	61.1	33.9	0	0	0	109	E677 T678 L679	D675-E677 PolarHBondContact O-N 2.9Å; D675-E677 VanDerWaalsContact O-N 3.15Å; D675-E677 WeakPolarHBondContact OD1-CA 3.4Å; D675-E677 WeakPolarHBondContact OD1-CB 3.24Å; D675-E677 PolarHBondContact OD1-N 3.09Å; D675-T678 PolarHBondContact N-OG1 3.05Å; D675-T678 PolarHBondContact O-OG1 2.93Å; D675-T678 WeakPolarHBondContact OD1-CB 3.46Å; D675-T678 WeakPolarHBondContact OD1-CG2 3.3Å; D675-T678 PolarHBondContact OD1-N 2.79Å; D675-T678 PolarHBondContact OD1-OG1 3.44Å; D675-L679 WeakPolarHBondContact O-CB 3.49Å; D675-L679 VanDerWaalsContact O-CG 3.28Å; D675-L679 WeakPolarHBondContact O-CG 3.47Å; D675-L679 PolarHBondContact O-N 3.42Å
676	L	71.1	Confident	79.3	Confident	95 Å²	95	53.3 Å²	53.3	50%	0.497	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.6	-179.9	-74.4	171	0	0	0	112.9	I594 K680	I594-L676 HydrophobicContact CD1-CD2 4.11Å; I594-L676 HydrophobicContact CD1-CG 4.05Å; L676-K680 VanDerWaalsContact O-CD 3.29Å; L676-K680 WeakPolarHBondContact O-CD 3.43Å; L676-K680 WeakPolarHBondContact O-CE 3.45Å; L676-K680 WeakPolarHBondContact O-CG 3.14Å
677	E	69.3	Low	79.5	Confident	44 Å²	44	52 Å²	52	21%	0.206	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-50.2	179.2	-67.6	-171.8	-166.6	0	0	112.1	P120 S121 D675 L679 K680	P120-E677 WeakPolarHBondContact CA-OE2 3.49Å; P120-E677 HydrophobicContact CB-CG 4.44Å; P120-E677 WeakPolarHBondContact CB-OE1 3.24Å; P120-E677 VanDerWaalsContact CB-OE2 3.25Å; P120-E677 WeakPolarHBondContact CB-OE2 3.4Å; S121-E677 VanDerWaalsContact CB-OE2 3.24Å; S121-E677 WeakPolarHBondContact CB-OE2 3.42Å; S121-E677 PolarHBondContact N-OE1 3.16Å; S121-E677 PolarHBondContact N-OE2 3.31Å; S121-E677 PolarHBondContact OG-OE2 3.1Å; D675-E677 PolarHBondContact O-N 2.9Å; D675-E677 VanDerWaalsContact O-N 3.15Å; D675-E677 WeakPolarHBondContact OD1-CA 3.4Å; D675-E677 WeakPolarHBondContact OD1-CB 3.24Å; D675-E677 PolarHBondContact OD1-N 3.09Å; E677-L679 PolarHBondContact O-N 2.99Å; E677-L679 VanDerWaalsContact O-N 3.12Å; E677-K680 PolarHBondContact O-N 2.83Å
678	T	68.9	Low	79.6	Confident	30 Å²	30	57.6 Å²	57.6	18%	0.184	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-27.6	170.6	47.3	0	0	0	0	112.5	F673 D675 S683	F673-T678 PolarHBondContact O-OG1 3.47Å; D675-T678 PolarHBondContact N-OG1 3.05Å; D675-T678 PolarHBondContact O-OG1 2.93Å; D675-T678 WeakPolarHBondContact OD1-CB 3.46Å; D675-T678 WeakPolarHBondContact OD1-CG2 3.3Å; D675-T678 PolarHBondContact OD1-N 2.79Å; D675-T678 PolarHBondContact OD1-OG1 3.44Å; T678-S683 WeakPolarHBondContact O-CB 3.15Å
679	L	76.4	Confident	79.6	Confident	7 Å²	7	58.4 Å²	58.4	4%	0.037	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-6.6	178.4	-62.8	175.7	0	0	0	115	I594 I598 L674 D675 E677 L705 Y707	I594-L679 HydrophobicContact CD1-CD1 4.2Å; I594-L679 HydrophobicContact CG1-CD1 3.99Å; I594-L679 HydrophobicContact CG2-CD1 3.94Å; I598-L679 HydrophobicContact CD1-CD1 3.94Å; I598-L679 HydrophobicContact CD1-CD2 4.26Å; I598-L679 HydrophobicContact CG1-CD1 4.28Å; I598-L679 HydrophobicContact CG1-CD2 4.49Å; I598-L679 HydrophobicContact CG2-CD2 4.03Å; L674-L679 HydrophobicContact CD2-CD2 4.1Å; D675-L679 WeakPolarHBondContact O-CB 3.49Å; D675-L679 VanDerWaalsContact O-CG 3.28Å; D675-L679 WeakPolarHBondContact O-CG 3.47Å; D675-L679 PolarHBondContact O-N 3.42Å; E677-L679 PolarHBondContact O-N 2.99Å; E677-L679 VanDerWaalsContact O-N 3.12Å; L679-L705 HydrophobicContact CD2-CB 3.73Å; L679-L705 HydrophobicContact CD2-CD1 4.44Å; L679-Y707 HydrophobicContact CD1-CD2 4.19Å; L679-Y707 PolarHBondContact O-N 3.28Å
680	K	68.7	Low	79.4	Confident	122 Å²	122	60.4 Å²	60.4	53%	0.53	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-74.4	144.1	172.6	-82.9	161.8	-166.3	172.9	0	109.8	L676 E677 N682 S683	L676-K680 VanDerWaalsContact O-CD 3.29Å; L676-K680 WeakPolarHBondContact O-CD 3.43Å; L676-K680 WeakPolarHBondContact O-CE 3.45Å; L676-K680 WeakPolarHBondContact O-CG 3.14Å; E677-K680 PolarHBondContact O-N 2.83Å; K680-N682 PolarHBondContact O-N 3.3Å; K680-S683 PolarHBondContact O-OG 3.21Å
681	N	62.7	Low	79.2	Confident	160 Å²	160	60 Å²	60	86%	0.856	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	62.4	28.7	169	-58.9	-17.8	0	0	0	117.6	S683	N681-S683 VanDerWaalsContact C-N 3.33Å; N681-S683 PolarHBondContact O-N 2.94Å
682	N	67	Low	78.5	Confident	72 Å²	72	61.5 Å²	61.5	39%	0.385	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	51.4	53.6	178.9	-171.8	38.4	0	0	0	111.1	K680 Q684 L705 E706	K680-N682 PolarHBondContact O-N 3.3Å; N682-Q684 PolarHBondContact O-N 2.71Å; N682-L705 WeakPolarHBondContact CA-O 3.46Å; N682-E706 HydrophobicContact CB-CB 4.37Å
683	S	68.2	Low	78.2	Confident	41 Å²	41	64.2 Å²	64.2	29%	0.287	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	112.8	-173.5	-69.7	0	0	0	0	110.2	T678 K680 N681 S704 L705	T678-S683 WeakPolarHBondContact O-CB 3.15Å; K680-S683 PolarHBondContact O-OG 3.21Å; N681-S683 VanDerWaalsContact C-N 3.33Å; N681-S683 PolarHBondContact O-N 2.94Å; S683-S704 WeakPolarHBondContact O-CA 3.44Å; S683-L705 PolarHBondContact N-O 2.94Å; S683-L705 PolarHBondContact O-N 3.47Å
684	Q	84.8	Confident	77.5	Confident	116 Å²	116	65 Å²	65	54%	0.542	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	127.6	168	-176.1	177.1	-34.6	0	0	108.6	N682 D686 V703 S704	N682-Q684 PolarHBondContact O-N 2.71Å; Q684-D686 PolarHBondContact NE2-OD1 3.42Å; Q684-D686 PolarHBondContact NE2-OD2 2.89Å; Q684-V703 CarbonylContact C-O 3.46Å; Q684-V703 WeakPolarHBondContact CA-O 3.11Å; Q684-S704 WeakPolarHBondContact CA-OG 3.4Å
685	I	86.5	Confident	77.4	Confident	38 Å²	38	69.9 Å²	69.9	20%	0.195	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	108.3	-177.9	-55.8	171.5	0	0	0	107.3	V672 A687 S702 V703 L705	V672-I685 HydrophobicContact CG1-CD1 3.62Å; V672-I685 HydrophobicContact CG2-CD1 4.11Å; I685-A687 HydrophobicContact CG2-CB 4.32Å; I685-S702 WeakPolarHBondContact O-CA 3.25Å; I685-V703 HydrophobicContact CB-CG2 3.84Å; I685-V703 HydrophobicContact CD1-CG2 4.31Å; I685-V703 HydrophobicContact CG2-CG2 4.4Å; I685-V703 PolarHBondContact N-O 3.2Å; I685-V703 PolarHBondContact O-N 2.97Å; I685-L705 HydrophobicContact CD1-CD1 3.99Å; I685-L705 HydrophobicContact CD1-CG 4.35Å
686	D	90.5	Very high	77.7	Confident	88 Å²	88	71.1 Å²	71.1	47%	0.471	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	95.2	172.1	-68.2	-43.1	0	0	0	109	Q684 T700 S702	Q684-D686 PolarHBondContact NE2-OD1 3.42Å; Q684-D686 PolarHBondContact NE2-OD2 2.89Å; D686-T700 HydrophobicContact CB-CG2 4.48Å; D686-S702 WeakPolarHBondContact OD1-CA 3.33Å; D686-S702 WeakPolarHBondContact OD1-CB 3.46Å; D686-S702 PolarHBondContact OD1-OG 2.67Å
687	A	89.2	Confident	78.4	Confident	19 Å²	19	69.5 Å²	69.5	16%	0.157	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.7	-172.8	0	0	0	0	0	112	L670 I685 I689 T700 F701	L670-A687 HydrophobicContact CD1-CB 3.37Å; L670-A687 HydrophobicContact CD2-CB 4.01Å; L670-A687 HydrophobicContact CG-CB 4.32Å; I685-A687 HydrophobicContact CG2-CB 4.32Å; A687-I689 HydrophobicContact CB-CG2 4.38Å; A687-T700 CarbonylContact O-C 3.53Å; A687-T700 WeakPolarHBondContact O-CA 3.17Å; A687-F701 PolarHBondContact N-O 2.97Å; A687-F701 PolarHBondContact O-N 3.31Å
688	N	90.1	Very high	79.4	Confident	126 Å²	126	73.6 Å²	73.6	67%	0.674	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	117.9	169.6	-67.5	-39.8	0	0	0	109.9	L699 T700	N688-L699 CarbonylContact C-O 3.41Å; N688-L699 VanDerWaalsContact CA-O 3.32Å; N688-L699 WeakPolarHBondContact CA-O 3.22Å; N688-T700 PolarHBondContact OD1-OG1 2.85Å
689	I	88.8	Confident	80.5	Confident	17 Å²	17	72.3 Å²	72.3	9%	0.087	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	162.7	-178.4	68	175	0	0	0	111.1	A668 L670 A687 L699 F701	A668-I689 HydrophobicContact CB-CD1 3.73Å; A668-I689 HydrophobicContact CB-CG1 4.4Å; L670-I689 HydrophobicContact CB-CG2 4.17Å; L670-I689 HydrophobicContact CD1-CG2 4.1Å; A687-I689 HydrophobicContact CB-CG2 4.38Å; I689-L699 HydrophobicContact CG1-CB 3.85Å; I689-L699 PolarHBondContact N-O 2.99Å; I689-L699 PolarHBondContact O-N 3.21Å; I689-F701 HydrophobicContact CD1-CB 3.91Å; I689-F701 HydrophobicContact CD1-CD2 3.64Å; I689-F701 HydrophobicContact CD1-CG 4.28Å; I689-F701 HydrophobicContact CG1-CB 4.39Å
690	L	85.5	Confident	81.4	Confident	84 Å²	84	74.1 Å²	74.1	44%	0.44	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	141.6	177.9	-68.4	172.6	0	0	0	110.6	P696 R697 D698	L690-P696 HydrophobicContact CB-CB 4.33Å; L690-P696 HydrophobicContact CD2-CB 4.39Å; L690-R697 CarbonylContact C-O 3.59Å; L690-R697 WeakPolarHBondContact CA-O 3.34Å; L690-D698 WeakPolarHBondContact CD2-OD1 3.41Å
691	T	85.1	Confident	82.7	Confident	5 Å²	5	68.3 Å²	68.3	3%	0.031	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-71.9	155.5	168.3	68.5	0	0	0	0	111.8	L667 E693 P696 R697 L699	L667-T691 HydrophobicContact CD1-CG2 4.01Å; L667-T691 HydrophobicContact CG-CG2 3.99Å; L667-T691 CarbonylContact O-C 3.57Å; L667-T691 VanDerWaalsContact O-CA 3.24Å; L667-T691 WeakPolarHBondContact O-CA 3.42Å; L667-T691 WeakPolarHBondContact O-CB 3.49Å; T691-E693 WeakPolarHBondContact CB-OE2 3.42Å; T691-E693 PolarHBondContact O-N 3.45Å; T691-E693 PolarHBondContact OG1-OE2 3.07Å; T691-P696 VanDerWaalsContact O-CB 3.26Å; T691-P696 WeakPolarHBondContact O-CB 3.38Å; T691-R697 HydrophobicContact CG2-CB 3.97Å; T691-R697 PolarHBondContact N-O 3.45Å; T691-R697 PolarHBondContact OG1-N 3.28Å; T691-L699 HydrophobicContact CG2-CD1 3.48Å; T691-L699 VanDerWaalsContact CG2-CD1 3.48Å; T691-L699 HydrophobicContact CG2-CD2 4.3Å; T691-L699 HydrophobicContact CG2-CG 3.8Å
692	N	72.9	Confident	84.2	Confident	73 Å²	73	61.1 Å²	61.1	39%	0.39	33%	0.334	S	S	.	.	S	Bend	trans	-78.4	4	173.9	-64.4	-32.7	0	0	0	113.2	M666 L667	M666-N692 WeakPolarHBondContact CE-ND2 3.5Å; M666-N692 PolarHBondContact O-ND2 3.38Å; L667-N692 PolarHBondContact O-N 3.25Å
693	E	78.3	Confident	85.5	Confident	68 Å²	68	57.7 Å²	57.7	32%	0.318	32%	0.315	S	S	.	.	S	Bend	trans	-76.1	167.7	179.6	-64.4	166.2	119.2	0	0	111.6	L667 T691 P695 P696 R697	L667-E693 VanDerWaalsContact CD1-CD 3.42Å; L667-E693 HydrophobicContact CD1-CG 3.71Å; L667-E693 WeakPolarHBondContact CD1-OE2 3.32Å; T691-E693 WeakPolarHBondContact CB-OE2 3.42Å; T691-E693 PolarHBondContact O-N 3.45Å; T691-E693 PolarHBondContact OG1-OE2 3.07Å; E693-P695 CarbonylContact C-O 3.59Å; E693-P695 CarbonylContact O-C 3.57Å; E693-P696 VanDerWaalsContact O-CA 3.31Å; E693-P696 WeakPolarHBondContact O-CA 3.34Å; E693-R697 IonicContact OE1-CZ 2.92Å; E693-R697 IonicContact OE1-NE 3.59Å; E693-R697 IonicContact OE1-NH2 2.71Å; E693-R697 PolarHBondContact OE1-NH2 2.99Å; E693-R697 IonicContact OE2-CZ 3.61Å; E693-R697 IonicContact OE2-NE 3.14Å; E693-R697 PolarHBondContact OE2-NE 2.95Å; E693-R697 IonicContact OE2-NH2 3.93Å; E693-R697 PolarHBondContact OE2-NH2 3.31Å
694	N	68.1	Low	86.7	Confident	110 Å²	110	56 Å²	56	59%	0.588	30%	0.303	S	S	*	.	S	Bend	trans	-122	109	177.1	-67.8	-45.2	0	0	0	109.6	L109	L109-N694 WeakPolarHBondContact CD2-OD1 3.44Å
695	P	78.4	Confident	87.1	Confident	109 Å²	109	50.4 Å²	50.4	71%	0.708	28%	0.277	S	S	*	.	S	Bend	cis	-72.8	154.8	-2.2	32	-35.3	0	0	0	112.9	E693	E693-P695 CarbonylContact C-O 3.59Å; E693-P695 CarbonylContact O-C 3.57Å
696	P	80.4	Confident	87.1	Confident	70 Å²	70	51.6 Å²	51.6	46%	0.455	28%	0.282	S	S	.	.			trans	-67.4	143.2	176.4	28.1	-35.1	0	0	0	110.5	L690 T691 E693	L690-P696 HydrophobicContact CB-CB 4.33Å; L690-P696 HydrophobicContact CD2-CB 4.39Å; T691-P696 VanDerWaalsContact O-CB 3.26Å; T691-P696 WeakPolarHBondContact O-CB 3.38Å; E693-P696 VanDerWaalsContact O-CA 3.31Å; E693-P696 WeakPolarHBondContact O-CA 3.34Å
697	R	85.6	Confident	86.8	Confident	60 Å²	60	50.4 Å²	50.4	23%	0.226	27%	0.271	C	S	.	.			trans	-104.8	141.3	176.3	-61.8	-173.5	-77.8	-176.3	-13.3	110.5	E610 L690 T691 E693	E610-R697 IonicContact OE1-CZ 2.77Å; E610-R697 IonicContact OE1-NH1 2.73Å; E610-R697 PolarHBondContact OE1-NH1 2.64Å; E610-R697 IonicContact OE1-NH2 2.68Å; E610-R697 PolarHBondContact OE1-NH2 3.45Å; L690-R697 CarbonylContact C-O 3.59Å; L690-R697 WeakPolarHBondContact CA-O 3.34Å; T691-R697 HydrophobicContact CG2-CB 3.97Å; T691-R697 PolarHBondContact N-O 3.45Å; T691-R697 PolarHBondContact OG1-N 3.28Å; E693-R697 IonicContact OE1-CZ 2.92Å; E693-R697 IonicContact OE1-NE 3.59Å; E693-R697 IonicContact OE1-NH2 2.71Å; E693-R697 PolarHBondContact OE1-NH2 2.99Å; E693-R697 IonicContact OE2-CZ 3.61Å; E693-R697 IonicContact OE2-NE 3.14Å; E693-R697 PolarHBondContact OE2-NE 2.95Å; E693-R697 IonicContact OE2-NH2 3.93Å; E693-R697 PolarHBondContact OE2-NH2 3.31Å
698	D	91	Very high	86.1	Confident	131 Å²	131	51 Å²	51	70%	0.701	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	129.6	171.3	-64.1	-41.4	0	0	0	109.7	L690	L690-D698 WeakPolarHBondContact CD2-OD1 3.41Å
699	L	93.1	Very high	84.9	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	151	173.2	-56.2	-180	0	0	0	109.7	I605 D606 L608 L660 A668 N688 I689 T691	I605-L699 HydrophobicContact CG2-CB 4.18Å; I605-L699 HydrophobicContact CG2-CD1 4.11Å; I605-L699 HydrophobicContact CG2-CD2 4.46Å; D606-L699 CarbonylContact O-C 3.53Å; D606-L699 VanDerWaalsContact O-CA 3.26Å; D606-L699 WeakPolarHBondContact O-CA 3.33Å; L608-L699 HydrophobicContact CD2-CD1 4.05Å; L608-L699 HydrophobicContact CD2-CD2 3.68Å; L608-L699 HydrophobicContact CG-CD1 4.36Å; L608-L699 HydrophobicContact CG-CD2 3.84Å; L660-L699 HydrophobicContact CD2-CD1 3.91Å; A668-L699 HydrophobicContact CB-CD1 4.1Å; N688-L699 CarbonylContact C-O 3.41Å; N688-L699 VanDerWaalsContact CA-O 3.32Å; N688-L699 WeakPolarHBondContact CA-O 3.22Å; I689-L699 HydrophobicContact CG1-CB 3.85Å; I689-L699 PolarHBondContact N-O 2.99Å; I689-L699 PolarHBondContact O-N 3.21Å; T691-L699 HydrophobicContact CG2-CD1 3.48Å; T691-L699 VanDerWaalsContact CG2-CD1 3.48Å; T691-L699 HydrophobicContact CG2-CD2 4.3Å; T691-L699 HydrophobicContact CG2-CG 3.8Å
700	T	94.4	Very high	83.4	Confident	46 Å²	46	47.9 Å²	47.9	28%	0.282	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	119.8	167	-52.8	0	0	0	0	108.1	I605 D606 D686 A687 N688	I605-T700 CarbonylContact C-O 3.57Å; I605-T700 VanDerWaalsContact CA-O 3.3Å; I605-T700 WeakPolarHBondContact CA-O 3.47Å; D606-T700 PolarHBondContact N-O 2.99Å; D606-T700 PolarHBondContact O-N 2.99Å; D686-T700 HydrophobicContact CB-CG2 4.48Å; A687-T700 CarbonylContact O-C 3.53Å; A687-T700 WeakPolarHBondContact O-CA 3.17Å; N688-T700 PolarHBondContact OD1-OG1 2.85Å
701	F	95.1	Very high	81.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.3	179	-161.5	-40.3	0	0	0	109.1	V602 I605 V616 F658 L660 L670 A687 I689 V703	V602-F701 HydrophobicContact CG1-CE1 4.09Å; V602-F701 HydrophobicContact CG1-CZ 4.39Å; I605-F701 HydrophobicContact CD1-CD2 3.67Å; I605-F701 HydrophobicContact CD1-CE2 3.61Å; I605-F701 HydrophobicContact CD1-CG 4.23Å; I605-F701 HydrophobicContact CD1-CZ 4.07Å; I605-F701 HydrophobicContact CG1-CB 4.28Å; I605-F701 HydrophobicContact CG1-CD1 4.13Å; I605-F701 HydrophobicContact CG1-CD2 3.77Å; I605-F701 HydrophobicContact CG1-CE1 4.37Å; I605-F701 HydrophobicContact CG1-CE2 4.09Å; I605-F701 HydrophobicContact CG1-CG 3.8Å; I605-F701 HydrophobicContact CG1-CZ 4.36Å; V616-F701 HydrophobicContact CB-CZ 4.38Å; V616-F701 HydrophobicContact CG1-CE2 4.47Å; V616-F701 HydrophobicContact CG1-CZ 3.77Å; V616-F701 HydrophobicContact CG2-CE2 4.19Å; V616-F701 HydrophobicContact CG2-CZ 3.67Å; F658-F701 HydrophobicContact CB-CE1 4.33Å; F658-F701 HydrophobicContact CB-CE2 3.99Å; F658-F701 HydrophobicContact CB-CZ 3.69Å; F658-F701 HydrophobicContact CG-CZ 4.41Å; L660-F701 HydrophobicContact CB-CE2 4.46Å; L670-F701 HydrophobicContact CB-CD2 4.13Å; L670-F701 HydrophobicContact CB-CG 4.35Å; L670-F701 HydrophobicContact CD2-CB 4.17Å; L670-F701 HydrophobicContact CD2-CD1 4.11Å; L670-F701 HydrophobicContact CD2-CG 4.05Å; A687-F701 PolarHBondContact N-O 2.97Å; A687-F701 PolarHBondContact O-N 3.31Å; I689-F701 HydrophobicContact CD1-CB 3.91Å; I689-F701 HydrophobicContact CD1-CD2 3.64Å; I689-F701 HydrophobicContact CD1-CG 4.28Å; I689-F701 HydrophobicContact CG1-CB 4.39Å; F701-V703 HydrophobicContact CD1-CG1 3.61Å; F701-V703 HydrophobicContact CE1-CG1 3.32Å; F701-V703 HydrophobicContact CZ-CG1 4.35Å
702	S	95.4	Very high	79.8	Confident	9 Å²	9	49.9 Å²	49.9	6%	0.063	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.3	178.9	-57.8	0	0	0	0	112.1	H603 G604 I685 D686	H603-S702 WeakPolarHBondContact CB-O 3.26Å; H603-S702 PolarHBondContact N-O 2.76Å; G604-S702 PolarHBondContact N-O 2.7Å; G604-S702 PolarHBondContact O-N 2.91Å; I685-S702 WeakPolarHBondContact O-CA 3.25Å; D686-S702 WeakPolarHBondContact OD1-CA 3.33Å; D686-S702 WeakPolarHBondContact OD1-CB 3.46Å; D686-S702 PolarHBondContact OD1-OG 2.67Å
703	V	95	Very high	78.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	158.6	173.2	-61.1	0	0	0	0	111.3	T601 F658 L670 Q684 I685 F701	T601-V703 CarbonylContact O-C 3.6Å; T601-V703 WeakPolarHBondContact O-CA 3.08Å; F658-V703 HydrophobicContact CD1-CG1 3.9Å; F658-V703 HydrophobicContact CD2-CG1 4.18Å; F658-V703 HydrophobicContact CD2-CG2 4.46Å; F658-V703 HydrophobicContact CE1-CB 4.31Å; F658-V703 HydrophobicContact CE1-CG1 3.83Å; F658-V703 HydrophobicContact CE2-CB 4.29Å; F658-V703 HydrophobicContact CE2-CG1 4.13Å; F658-V703 HydrophobicContact CE2-CG2 3.94Å; F658-V703 HydrophobicContact CG-CG1 4.07Å; F658-V703 HydrophobicContact CZ-CB 4.03Å; F658-V703 HydrophobicContact CZ-CG1 3.94Å; F658-V703 HydrophobicContact CZ-CG2 4.13Å; L670-V703 HydrophobicContact CD2-CG1 4.31Å; L670-V703 HydrophobicContact CD2-CG2 3.92Å; Q684-V703 CarbonylContact C-O 3.46Å; Q684-V703 WeakPolarHBondContact CA-O 3.11Å; I685-V703 HydrophobicContact CB-CG2 3.84Å; I685-V703 HydrophobicContact CD1-CG2 4.31Å; I685-V703 HydrophobicContact CG2-CG2 4.4Å; I685-V703 PolarHBondContact N-O 3.2Å; I685-V703 PolarHBondContact O-N 2.97Å; F701-V703 HydrophobicContact CD1-CG1 3.61Å; F701-V703 HydrophobicContact CE1-CG1 3.32Å; F701-V703 HydrophobicContact CZ-CG1 4.35Å
704	S	93.2	Very high	77.2	Confident	4 Å²	4	46.1 Å²	46.1	3%	0.028	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.5	168.1	-63.3	0	0	0	0	110.8	A600 T601 H603 S683 Q684	A600-S704 CarbonylContact C-O 3.58Å; A600-S704 WeakPolarHBondContact CA-O 3.37Å; T601-S704 PolarHBondContact N-O 3.41Å; T601-S704 PolarHBondContact O-N 2.9Å; H603-S704 WeakPolarHBondContact NE2-CB 3.25Å; H603-S704 PolarHBondContact NE2-OG 3.13Å; S683-S704 WeakPolarHBondContact O-CA 3.44Å; Q684-S704 WeakPolarHBondContact CA-OG 3.4Å
705	L	91.9	Very high	76.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.6	178.9	-62.3	177.3	0	0	0	111	I598 K599 A600 I656 F658 V672 L674 L679 N682 S683 I685	I598-L705 HydrophobicContact CG2-CD2 4.14Å; K599-L705 WeakPolarHBondContact O-CA 3.41Å; A600-L705 HydrophobicContact CB-CD2 3.71Å; I656-L705 HydrophobicContact CD1-CD2 4.17Å; I656-L705 HydrophobicContact CG2-CD1 3.84Å; F658-L705 HydrophobicContact CZ-CD2 3.93Å; V672-L705 HydrophobicContact CB-CD1 4.29Å; V672-L705 HydrophobicContact CG1-CD1 3.74Å; L674-L705 HydrophobicContact CD2-CD1 4.05Å; L679-L705 HydrophobicContact CD2-CB 3.73Å; L679-L705 HydrophobicContact CD2-CD1 4.44Å; N682-L705 WeakPolarHBondContact CA-O 3.46Å; S683-L705 PolarHBondContact N-O 2.94Å; S683-L705 PolarHBondContact O-N 3.47Å; I685-L705 HydrophobicContact CD1-CD1 3.99Å; I685-L705 HydrophobicContact CD1-CG 4.35Å
706	E	87.5	Confident	74.6	Confident	63 Å²	63	45 Å²	45	29%	0.294	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	123.5	-179.3	179.2	-173.8	-174.8	0	0	109.5	I598 K599 N682	I598-E706 CarbonylContact C-O 3.54Å; I598-E706 WeakPolarHBondContact CA-O 3.4Å; K599-E706 HydrophobicContact CB-CB 4.33Å; K599-E706 PolarHBondContact N-O 3.32Å; K599-E706 IonicContact NZ-OE2 2.85Å; K599-E706 PolarHBondContact NZ-OE2 3.31Å; K599-E706 PolarHBondContact O-N 2.87Å; N682-E706 HydrophobicContact CB-CB 4.37Å
707	Y	83.2	Confident	73.4	Confident	63 Å²	63	43.5 Å²	43.5	25%	0.247	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	126.6	171.1	-176.4	-98.5	0	0	0	110.3	I594 T595 I598 L679	I594-Y707 HydrophobicContact CG2-CD2 3.85Å; I594-Y707 HydrophobicContact CG2-CE2 3.78Å; T595-Y707 PolarHBondContact O-OH 3.18Å; T595-Y707 VanDerWaalsContact O-OH 3.05Å; I598-Y707 HydrophobicContact CG1-CD2 4.41Å; L679-Y707 HydrophobicContact CD1-CD2 4.19Å; L679-Y707 PolarHBondContact O-N 3.28Å
708	V	75.9	Confident	72.1	Confident	32 Å²	32	43.3 Å²	43.3	19%	0.194	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	113.7	-177.9	-167.7	0	0	0	0	109.6	Y597 K599 Q710 L713	Y597-V708 PolarHBondContact O-N 2.86Å; K599-V708 HydrophobicContact CB-CG2 3.8Å; V708-Q710 PolarHBondContact O-N 2.88Å; V708-L713 HydrophobicContact CB-CD1 4.05Å; V708-L713 HydrophobicContact CG1-CD1 3.48Å; V708-L713 VanDerWaalsContact CG1-CD1 3.48Å; V708-L713 HydrophobicContact CG1-CD2 3.98Å; V708-L713 HydrophobicContact CG1-CG 3.59Å
709	D	64.1	Low	70.2	Confident	48 Å²	48	41.6 Å²	41.6	26%	0.257	22%	0.215	S	C	.	.			trans	-66.5	128.1	179.7	-165.4	-18.6	0	0	0	111.5	V711 N712 L713	D709-V711 PolarHBondContact O-N 2.68Å; D709-V711 PolarHBondContact OD1-N 3.33Å; D709-N712 PolarHBondContact O-N 3.02Å; D709-L713 PolarHBondContact O-N 3.32Å
710	Q	56.9	Low	68.3	Low	28 Å²	28	46.1 Å²	46.1	13%	0.131	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-32	-177.5	-73.8	-172.3	-5.6	0	0	113.3	Y597 V708 N712 L713 N714 Q930	Y597-Q710 HydrophobicContact CD2-CG 3.73Å; Y597-Q710 HydrophobicContact CE2-CG 3.87Å; V708-Q710 PolarHBondContact O-N 2.88Å; Q710-N712 PolarHBondContact O-N 3.29Å; Q710-L713 PolarHBondContact O-N 3.27Å; Q710-N714 PolarHBondContact O-N 3Å; Q710-Q930 VanDerWaalsContact OE1-CD 3.28Å
711	V	47.9	Very low	66.4	Low	41 Å²	41	50.2 Å²	50.2	25%	0.248	26%	0.255	C	S	.	.	H	α-helix	trans	-65.7	-32.8	-178.5	-178.1	0	0	0	0	111	D709 K715 T926	D709-V711 PolarHBondContact O-N 2.68Å; D709-V711 PolarHBondContact OD1-N 3.33Å; V711-K715 HydrophobicContact CG1-CD 4.06Å; V711-K715 WeakPolarHBondContact O-CB 3.2Å; V711-K715 VanDerWaalsContact O-CG 3.27Å; V711-K715 WeakPolarHBondContact O-CG 3.49Å; V711-T926 HydrophobicContact CG2-CG2 4.12Å
712	N	47.1	Very low	64.7	Low	90 Å²	90	61.2 Å²	61.2	48%	0.481	30%	0.296	S	S	.	.	H	α-helix	trans	-81.4	-35.8	179.6	-67.4	-25.6	0	0	0	111.9	D709 Q710 N714 N716	D709-N712 PolarHBondContact O-N 3.02Å; Q710-N712 PolarHBondContact O-N 3.29Å; N712-N714 PolarHBondContact O-N 2.78Å; N712-N716 WeakPolarHBondContact O-CB 3.31Å; N712-N716 VanDerWaalsContact O-CG 3.23Å; N712-N716 PolarHBondContact O-N 3.11Å; N712-N716 PolarHBondContact O-ND2 2.77Å
713	L	50.4	Low	63.2	Low	26 Å²	26	61.3 Å²	61.3	14%	0.136	30%	0.299	C	S	.	.	H	α-helix	trans	-60.4	-48.7	-178.4	-83.8	158.4	0	0	0	112.8	Y597 V708 D709 Q710 R717	Y597-L713 HydrophobicContact CD1-CD1 4.49Å; Y597-L713 HydrophobicContact CD2-CD1 3.66Å; Y597-L713 HydrophobicContact CE2-CD1 4.36Å; Y597-L713 HydrophobicContact CG-CD1 3.75Å; V708-L713 HydrophobicContact CB-CD1 4.05Å; V708-L713 HydrophobicContact CG1-CD1 3.48Å; V708-L713 VanDerWaalsContact CG1-CD1 3.48Å; V708-L713 HydrophobicContact CG1-CD2 3.98Å; V708-L713 HydrophobicContact CG1-CG 3.59Å; D709-L713 PolarHBondContact O-N 3.32Å; Q710-L713 PolarHBondContact O-N 3.27Å; L713-R717 VanDerWaalsContact O-CB 3.22Å; L713-R717 WeakPolarHBondContact O-CB 3.28Å; L713-R717 WeakPolarHBondContact O-CD 3.45Å; L713-R717 WeakPolarHBondContact O-CG 3.48Å; L713-R717 PolarHBondContact O-N 2.85Å; L713-R717 VanDerWaalsContact O-N 3.09Å
714	N	47.5	Very low	62.4	Low	37 Å²	37	66 Å²	66	20%	0.198	32%	0.324	C	S	.	.	H	α-helix	trans	-81.2	-34.9	-176.2	-76.3	-9.9	0	0	0	113.1	Q710 N712 R718	Q710-N714 PolarHBondContact O-N 3Å; N712-N714 PolarHBondContact O-N 2.78Å; N714-R718 PolarHBondContact O-N 2.66Å
715	K	47	Very low	62	Low	120 Å²	120	66.6 Å²	66.6	52%	0.522	33%	0.327	S	S	.	.	H	α-helix	trans	-64.5	-43.3	175.1	-72.6	-176.4	-179.9	-176.6	0	111	V711 S719	V711-K715 HydrophobicContact CG1-CD 4.06Å; V711-K715 WeakPolarHBondContact O-CB 3.2Å; V711-K715 VanDerWaalsContact O-CG 3.27Å; V711-K715 WeakPolarHBondContact O-CG 3.49Å; K715-S719 PolarHBondContact O-OG 2.78Å
716	N	43.2	Very low	61.6	Low	75 Å²	75	66.6 Å²	66.6	40%	0.401	33%	0.327	S	S	.	.	H	α-helix	trans	-73.9	-40.5	-179.3	-69.1	-8	0	0	0	112.1	N712 R718 S719 E720	N712-N716 WeakPolarHBondContact O-CB 3.31Å; N712-N716 VanDerWaalsContact O-CG 3.23Å; N712-N716 PolarHBondContact O-N 3.11Å; N712-N716 PolarHBondContact O-ND2 2.77Å; N716-R718 PolarHBondContact O-N 2.78Å; N716-S719 PolarHBondContact O-N 3.31Å; N716-S719 PolarHBondContact O-OG 3Å; N716-E720 VanDerWaalsContact O-CB 3.24Å; N716-E720 WeakPolarHBondContact O-CB 3.1Å; N716-E720 WeakPolarHBondContact O-CG 3.46Å; N716-E720 PolarHBondContact O-N 3.31Å
717	R	55.3	Low	61.3	Low	39 Å²	39	64.3 Å²	64.3	15%	0.147	32%	0.32	C	S	.	.	H	α-helix	trans	-66.6	-34.2	-174.4	-76	177.4	-176.4	-160.2	0	114.6	D647 L713 S719 H822	D647-R717 IonicContact OD2-NH2 2.65Å; D647-R717 PolarHBondContact OD2-NH2 3.48Å; L713-R717 VanDerWaalsContact O-CB 3.22Å; L713-R717 WeakPolarHBondContact O-CB 3.28Å; L713-R717 WeakPolarHBondContact O-CD 3.45Å; L713-R717 WeakPolarHBondContact O-CG 3.48Å; L713-R717 PolarHBondContact O-N 2.85Å; L713-R717 VanDerWaalsContact O-N 3.09Å; R717-S719 VanDerWaalsContact C-N 3.32Å; R717-H822 PolarHBondContact O-CD2 3.15Å
718	R	59.6	Low	61.3	Low	56 Å²	56	65.6 Å²	65.6	21%	0.211	32%	0.324	C	S	.	.	H	α-helix	trans	-77.3	-18.6	178.8	-63.6	-171.9	-174.6	-179.8	-0.3	113.5	N714 N716 Q821 L823 E901	N714-R718 PolarHBondContact O-N 2.66Å; N716-R718 PolarHBondContact O-N 2.78Å; R718-Q821 WeakPolarHBondContact CG-O 3.35Å; R718-L823 WeakPolarHBondContact CG-O 3.33Å; R718-E901 IonicContact NH1-OE1 3.38Å; R718-E901 PolarHBondContact NH1-OE1 3.09Å
719	S	50.5	Low	61.8	Low	95 Å²	95	68.1 Å²	68.1	66%	0.664	33%	0.333	S	S	*	.	H	α-helix	trans	-105.8	-10.4	-179.3	55.8	0	0	0	0	114.9	K715 N716 R717	K715-S719 PolarHBondContact O-OG 2.78Å; N716-S719 PolarHBondContact O-N 3.31Å; N716-S719 PolarHBondContact O-OG 3Å; R717-S719 VanDerWaalsContact C-N 3.32Å
720	E	53.7	Low	63	Low	96 Å²	96	66.3 Å²	66.3	45%	0.449	32%	0.324	S	S	.	.	S	Bend	trans	-87.9	121.8	-175.7	-85.2	174.5	177.4	0	0	113.4	N716	N716-E720 VanDerWaalsContact O-CB 3.24Å; N716-E720 WeakPolarHBondContact O-CB 3.1Å; N716-E720 WeakPolarHBondContact O-CG 3.46Å; N716-E720 PolarHBondContact O-N 3.31Å
721	I	53.7	Low	64.3	Low	132 Å²	132	67 Å²	67	68%	0.677	33%	0.334	S	S	*	.			trans	61.3	103.5	161.3	-50.3	173.2	0	0	0	114.7	G723	I721-G723 VanDerWaalsContact C-N 3.32Å; I721-G723 PolarHBondContact O-N 2.98Å
722	R	59.4	Low	66.1	Low	232 Å²	232	69.1 Å²	69.1	88%	0.875	34%	0.341	S	S	*	.			trans	-71.9	85	166.9	-69.6	-176.2	176.8	-169.6	-2.4	110.2
723	G	65.3	Low	67.9	Low	11 Å²	11	66.8 Å²	66.8	11%	0.113	33%	0.329	C	S	.	.			trans	-66.9	-179.8	162.6	0	0	0	0	0	111.3	I721 L725 F726 R728	I721-G723 VanDerWaalsContact C-N 3.32Å; I721-G723 PolarHBondContact O-N 2.98Å; G723-L725 VanDerWaalsContact C-N 3.29Å; G723-F726 PolarHBondContact N-O 3.32Å; G723-R728 PolarHBondContact O-NE 3.18Å
724	N	77.8	Confident	69.3	Low	98 Å²	98	66.6 Å²	66.6	52%	0.524	33%	0.328	S	S	.	.	S	Bend	trans	-74.5	-25.7	171.9	-69.9	-35.5	0	0	0	112.1	R728 D794	N724-R728 VanDerWaalsContact O-CD 3.24Å; N724-R728 WeakPolarHBondContact O-CD 3.42Å; N724-R728 PolarHBondContact O-NE 2.91Å; N724-R728 VanDerWaalsContact O-NE 3.13Å; N724-R728 PolarHBondContact OD1-NH2 3.35Å; N724-D794 VanDerWaalsContact CB-O 3.25Å; N724-D794 WeakPolarHBondContact CB-O 3.25Å; N724-D794 PolarHBondContact N-OD1 3.47Å; N724-D794 PolarHBondContact ND2-O 3.44Å
725	L	83.9	Confident	70	Confident	17 Å²	17	73.9 Å²	73.9	9%	0.089	35%	0.353	C	S	.	.	S	Bend	trans	-117.1	-54.1	179	176.6	68.2	0	0	0	111.1	G723 L733 F758 F793 D794 F819	G723-L725 VanDerWaalsContact C-N 3.29Å; L725-L733 HydrophobicContact CD1-CD1 3.95Å; L725-L733 HydrophobicContact CD1-CD2 3.85Å; L725-L733 HydrophobicContact CD1-CG 4.44Å; L725-F758 HydrophobicContact CD1-CB 4.08Å; L725-F758 HydrophobicContact CD2-CB 3.7Å; L725-F758 HydrophobicContact CD2-CD1 4.43Å; L725-F758 HydrophobicContact CD2-CD2 3.68Å; L725-F758 HydrophobicContact CD2-CE2 4.45Å; L725-F758 HydrophobicContact CD2-CG 3.67Å; L725-F758 HydrophobicContact CG-CB 4.5Å; L725-F793 HydrophobicContact CD2-CB 3.9Å; L725-F793 HydrophobicContact CD2-CD1 4.29Å; L725-F793 HydrophobicContact CD2-CG 4.38Å; L725-D794 WeakPolarHBondContact CA-OD1 3.45Å; L725-D794 WeakPolarHBondContact CB-OD1 3.43Å; L725-D794 PolarHBondContact N-OD1 3.19Å; L725-F819 HydrophobicContact CD1-CE2 4.07Å; L725-F819 HydrophobicContact CG-CE2 4.25Å
726	F	84.6	Confident	70.2	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	137.7	-176.1	-65.7	-94.1	0	0	0	111.1	G723 R728 F758 K790 F793 D794 L815 F819	G723-F726 PolarHBondContact N-O 3.32Å; F726-R728 VanDerWaalsContact C-N 3.32Å; F726-F758 HydrophobicContact CE1-CZ 4.34Å; F726-F758 AromaticContact CZ-CE2 3.95Å; F726-F758 HydrophobicContact CZ-CE2 3.95Å; F726-F758 AromaticContact CZ-CZ 3.93Å; F726-F758 HydrophobicContact CZ-CZ 3.93Å; F726-K790 VanDerWaalsContact CB-CE 3.48Å; F726-K790 HydrophobicContact CD1-CD 4.39Å; F726-K790 HydrophobicContact CD1-CG 4.17Å; F726-K790 HydrophobicContact CD2-CD 4.36Å; F726-K790 HydrophobicContact CD2-CG 3.5Å; F726-K790 VanDerWaalsContact CD2-CG 3.5Å; F726-K790 HydrophobicContact CE1-CG 4.18Å; F726-K790 HydrophobicContact CE2-CB 4.26Å; F726-K790 HydrophobicContact CE2-CG 3.53Å; F726-K790 HydrophobicContact CG-CD 4.23Å; F726-K790 VanDerWaalsContact CG-CE 3.47Å; F726-K790 HydrophobicContact CG-CG 3.85Å; F726-K790 HydrophobicContact CZ-CB 4.48Å; F726-K790 HydrophobicContact CZ-CG 3.91Å; F726-F793 HydrophobicContact CE2-CB 3.96Å; F726-D794 WeakPolarHBondContact CD2-OD1 3.08Å; F726-D794 PolarHBondContact N-OD1 3.2Å; F726-L815 HydrophobicContact CE1-CD1 3.76Å; F726-L815 HydrophobicContact CE1-CG 4.22Å; F726-L815 HydrophobicContact CE2-CD1 4.47Å; F726-L815 HydrophobicContact CZ-CD1 3.54Å; F726-L815 HydrophobicContact CZ-CD2 4.14Å; F726-L815 HydrophobicContact CZ-CG 3.82Å; F726-F819 HydrophobicContact CD1-CB 4.28Å; F726-F819 HydrophobicContact CD1-CD2 4.19Å; F726-F819 HydrophobicContact CE1-CB 3.78Å; F726-F819 HydrophobicContact CE1-CD2 4.15Å; F726-F819 HydrophobicContact CE1-CG 4.49Å
727	G	80.3	Confident	70.1	Confident	14 Å²	14	74.8 Å²	74.8	14%	0.144	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	1.9	-178.1	0	0	0	0	0	115.2	H822 P824	G727-H822 WeakPolarHBondContact CA-O 3.49Å; G727-P824 VanDerWaalsContact O-CG 3.28Å; G727-P824 WeakPolarHBondContact O-CG 3.46Å
728	R	84.1	Confident	69.1	Low	91 Å²	91	80.2 Å²	80.2	34%	0.343	41%	0.405	S	S	.	.	S	Bend	trans	-89.5	152.7	173.3	-65.3	-158.4	179.5	-171.3	1.8	111.7	G723 N724 F726 L733 P824	G723-R728 PolarHBondContact O-NE 3.18Å; N724-R728 VanDerWaalsContact O-CD 3.24Å; N724-R728 WeakPolarHBondContact O-CD 3.42Å; N724-R728 PolarHBondContact O-NE 2.91Å; N724-R728 VanDerWaalsContact O-NE 3.13Å; N724-R728 PolarHBondContact OD1-NH2 3.35Å; F726-R728 VanDerWaalsContact C-N 3.32Å; R728-L733 HydrophobicContact CB-CD2 3.91Å; R728-L733 HydrophobicContact CB-CG 4.22Å; R728-P824 WeakPolarHBondContact O-CD 3.38Å
729	H	86.4	Confident	68.2	Low	84 Å²	84	84 Å²	84	39%	0.389	43%	0.429	S	S	.	.			trans	-62	138.7	172.4	-70.3	-85.8	0	0	0	110.2	A731 E732 L733	H729-A731 PolarHBondContact O-N 3.4Å; H729-A731 VanDerWaalsContact O-N 3.15Å; H729-E732 HydrophobicContact CB-CG 4.22Å; H729-E732 IonicContact CD2-OE1 3.86Å; H729-E732 WeakPolarHBondContact O-CB 3.39Å; H729-E732 PolarHBondContact O-N 3.39Å; H729-L733 PolarHBondContact O-N 3.06Å
730	L	88.1	Confident	67.5	Low	10 Å²	10	86 Å²	86	5%	0.052	43%	0.431	C	S	.	.	H	α-helix	trans	-54.9	-38.8	-178.1	-170.4	66.8	0	0	0	112.3	E732 L733 P756 F819 L823 L827 P862 N863	L730-E732 VanDerWaalsContact C-N 3.25Å; L730-E732 PolarHBondContact O-N 3.47Å; L730-L733 PolarHBondContact O-N 3.47Å; L730-P756 HydrophobicContact CD1-CG 3.36Å; L730-P756 HydrophobicContact CG-CG 4.49Å; L730-F819 HydrophobicContact CD1-CE1 4.35Å; L730-F819 HydrophobicContact CD1-CZ 4.23Å; L730-L823 HydrophobicContact CB-CD2 4.43Å; L730-L823 HydrophobicContact CD1-CD2 4.47Å; L730-L827 HydrophobicContact CD2-CD1 3.53Å; L730-P862 HydrophobicContact CD2-CB 4.19Å; L730-P862 WeakPolarHBondContact CD2-O 3.49Å; L730-P862 HydrophobicContact CG-CB 4.13Å; L730-N863 HydrophobicContact CD2-CB 4.35Å
731	A	85.4	Confident	66.6	Low	42 Å²	42	88 Å²	88	35%	0.347	45%	0.446	S	S	.	.	H	α-helix	trans	-61.3	-28.9	177	0	0	0	0	0	113.7	H729 R735 P862	H729-A731 PolarHBondContact O-N 3.4Å; H729-A731 VanDerWaalsContact O-N 3.15Å; A731-R735 WeakPolarHBondContact O-CG 3.48Å; A731-P862 HydrophobicContact CB-CG 4.31Å
732	E	84.4	Confident	65.8	Low	87 Å²	87	88.9 Å²	88.9	41%	0.407	45%	0.451	S	S	.	.	H	α-helix	trans	-76.1	-32.2	177.8	-66.3	174.6	-158.3	0	0	112.3	H729 L730 V734	H729-E732 HydrophobicContact CB-CG 4.22Å; H729-E732 IonicContact CD2-OE1 3.86Å; H729-E732 WeakPolarHBondContact O-CB 3.39Å; H729-E732 PolarHBondContact O-N 3.39Å; L730-E732 VanDerWaalsContact C-N 3.25Å; L730-E732 PolarHBondContact O-N 3.47Å; E732-V734 PolarHBondContact O-N 3.4Å
733	L	85	Confident	65.2	Low	40 Å²	40	83.5 Å²	83.5	21%	0.209	44%	0.44	C	S	.	.	H	α-helix	trans	-73.1	-12.7	-177.8	-61.2	178.6	0	0	0	113.5	L725 R728 H729 L730 P756 F819	L725-L733 HydrophobicContact CD1-CD1 3.95Å; L725-L733 HydrophobicContact CD1-CD2 3.85Å; L725-L733 HydrophobicContact CD1-CG 4.44Å; R728-L733 HydrophobicContact CB-CD2 3.91Å; R728-L733 HydrophobicContact CB-CG 4.22Å; H729-L733 PolarHBondContact O-N 3.06Å; L730-L733 PolarHBondContact O-N 3.47Å; L733-P756 HydrophobicContact CB-CB 4.3Å; L733-P756 HydrophobicContact CB-CG 4.2Å; L733-P756 HydrophobicContact CD1-CG 4.45Å; L733-F819 HydrophobicContact CD1-CE2 3.59Å; L733-F819 HydrophobicContact CD1-CZ 3.58Å
734	V	80	Confident	64.1	Low	22 Å²	22	92.1 Å²	92.1	13%	0.133	48%	0.477	C	S	.	.	H	α-helix	trans	-107.7	-16.9	-174.5	170.4	0	0	0	0	112.2	E732 V736 F754 P756 P862	E732-V734 PolarHBondContact O-N 3.4Å; V734-V736 PolarHBondContact O-N 3.43Å; V734-F754 HydrophobicContact CG1-CB 3.82Å; V734-F754 HydrophobicContact CG1-CD1 3.52Å; V734-F754 HydrophobicContact CG1-CE1 4.46Å; V734-F754 HydrophobicContact CG1-CG 4.01Å; V734-P756 HydrophobicContact CG2-CG 4.19Å; V734-P862 HydrophobicContact CG2-CB 4.38Å
735	R	63.3	Low	62.2	Low	191 Å²	191	93.4 Å²	93.4	72%	0.721	49%	0.493	S	S	*	.			trans	-59.8	125	-173.6	-81.2	176.5	-164.3	-159.3	4.8	112.4	A731	A731-R735 WeakPolarHBondContact O-CG 3.48Å
736	V	51.3	Low	59.7	Low	99 Å²	99	98.8 Å²	98.8	60%	0.6	52%	0.515	S	S	*	.			trans	-66.4	130.8	163.5	-175.7	0	0	0	0	107.9	V734 N738	V734-V736 PolarHBondContact O-N 3.43Å; V736-N738 PolarHBondContact O-N 3.05Å
737	P	41.1	Very low	57.4	Low	114 Å²	114	105.6 Å²	105.6	74%	0.74	55%	0.55	S	S	*	*			trans	-61.2	106.7	176.1	-18.5	29.6	0	0	0	110.1	D739	P737-D739 PolarHBondContact O-N 3.09Å
738	N	34.1	Very low	55.5	Low	154 Å²	154	113.9 Å²	113.9	82%	0.824	58%	0.582	S	S	*	*			trans	-79.4	64.9	165.2	-77.1	-21.3	0	0	0	108.8	V736	V736-N738 PolarHBondContact O-N 3.05Å
739	D	39.8	Very low	53.4	Low	134 Å²	134	118.7 Å²	118.7	72%	0.717	60%	0.602	S	S	*	*			trans	-135.1	94.6	172.3	-94.8	-34.6	0	0	0	110.9	P737	P737-D739 PolarHBondContact O-N 3.09Å
740	I	35.6	Very low	50.8	Low	137 Å²	137	123.1 Å²	123.1	70%	0.703	62%	0.62	S	S	*	*				23.4	114.3	127.2	-56.5	162.6	0	0	0	115.3
741	N	34.9	Very low	48.9	Very low	140 Å²	140	125.2 Å²	125.2	75%	0.749	64%	0.635	S	S	*	*			trans	75.1	77.8	162.2	-54.1	-22.1	0	0	0	118.1
742	N	37.7	Very low	47.6	Very low	149 Å²	149	129.4 Å²	129.4	80%	0.797	65%	0.648	S	S	*	*			trans	-176.8	110.3	137.6	-92.9	-26	0	0	0	110.5	E744	N742-E744 VanDerWaalsContact C-N 3.34Å; N742-E744 PolarHBondContact O-N 2.7Å
743	D	45.9	Very low	46.9	Very low	120 Å²	120	127.2 Å²	127.2	64%	0.642	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-0.8	-169.3	-87.2	-32.9	0	0	0	115.7	K746	D743-K746 IonicContact OD1-NZ 3.2Å; D743-K746 PolarHBondContact OD1-NZ 2.7Å
744	E	42.5	Very low	46.8	Very low	191 Å²	191	128 Å²	128	89%	0.893	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-11.1	-174.2	-68.8	-169.8	153.1	0	0	115.3	N742	N742-E744 VanDerWaalsContact C-N 3.34Å; N742-E744 PolarHBondContact O-N 2.7Å
745	C	37.3	Very low	47.2	Very low	126 Å²	126	127.4 Å²	127.4	85%	0.851	64%	0.638	S	S	*	*	S	Bend	trans	-98.5	-0.7	178.5	-96.9	0	0	0	0	115	I747	C745-I747 VanDerWaalsContact C-N 3.34Å; C745-I747 PolarHBondContact O-N 3Å
746	K	32	Very low	48.5	Very low	129 Å²	129	118.4 Å²	118.4	56%	0.561	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-0.9	-173.3	-80.1	178.9	-177.4	161.5	0	116.1	D743	D743-K746 IonicContact OD1-NZ 3.2Å; D743-K746 PolarHBondContact OD1-NZ 2.7Å
747	I	37.3	Very low	50.3	Low	143 Å²	143	118.5 Å²	118.5	73%	0.733	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	-10.9	-163.9	-58.8	178.9	0	0	0	114.5	C745	C745-I747 VanDerWaalsContact C-N 3.34Å; C745-I747 PolarHBondContact O-N 3Å
748	K	39.3	Very low	52.7	Low	188 Å²	188	113.1 Å²	113.1	82%	0.817	56%	0.559	S	S	*	*	S	Bend	trans	-110.5	-10.8	-175.4	-98.7	-178.6	176.6	178.3	0	118.4
749	Y	39.5	Very low	55.6	Low	192 Å²	192	105.8 Å²	105.8	75%	0.753	52%	0.52	S	S	*	.			trans	-135.1	46.2	177	-65.5	-80.6	0	0	0	112.1	S751	Y749-S751 VanDerWaalsContact C-N 3.33Å; Y749-S751 PolarHBondContact O-N 3.31Å; Y749-S751 VanDerWaalsContact O-N 3.08Å
750	K	33.1	Very low	58.1	Low	177 Å²	177	101.2 Å²	101.2	77%	0.77	50%	0.495	S	S	*	.			trans	-77.5	81.6	170.4	-92.2	-177.1	175.4	-178	0	110.5
751	S	48.4	Very low	60.8	Low	54 Å²	54	95.1 Å²	95.1	38%	0.378	47%	0.465	S	S	.	.	S	Bend	trans	-170.7	121.5	153.9	50.6	0	0	0	0	108.7	Y749 V753 N960	Y749-S751 VanDerWaalsContact C-N 3.33Å; Y749-S751 PolarHBondContact O-N 3.31Å; Y749-S751 VanDerWaalsContact O-N 3.08Å; S751-V753 PolarHBondContact O-N 3.26Å; S751-N960 WeakPolarHBondContact CB-ND2 3.46Å
752	E	58.3	Low	63.7	Low	131 Å²	131	88.5 Å²	88.5	61%	0.612	43%	0.429	S	S	*	.			trans	-61.3	92.3	176	-66.7	170.7	178.4	0	0	109.9	F754	E752-F754 HydrophobicContact CB-CE2 3.93Å; E752-F754 HydrophobicContact CB-CZ 4.27Å
753	V	68.1	Low	66.5	Low	41 Å²	41	81.4 Å²	81.4	25%	0.248	39%	0.391	C	S	.	.			trans	-101.2	116.3	174.6	173.7	0	0	0	0	106.9	S751 I755 I760 V961	S751-V753 PolarHBondContact O-N 3.26Å; V753-I755 HydrophobicContact CG1-CB 3.92Å; V753-I755 HydrophobicContact CG1-CD1 4.08Å; V753-I755 HydrophobicContact CG1-CG1 4.15Å; V753-I755 PolarHBondContact O-N 3.36Å; V753-I755 VanDerWaalsContact O-N 3.13Å; V753-I760 HydrophobicContact CG1-CD1 3.89Å; V753-V961 HydrophobicContact CG1-CG2 4.22Å; V753-V961 HydrophobicContact CG2-CG2 4.48Å
754	F	83.8	Confident	68.8	Low	57 Å²	57	78.8 Å²	78.8	25%	0.25	38%	0.376	C	S	.	.			trans	-86.9	31.6	-176.8	-63.1	-93.3	0	0	0	113.8	V734 E752 T861 P862 E865 H958	V734-F754 HydrophobicContact CG1-CB 3.82Å; V734-F754 HydrophobicContact CG1-CD1 3.52Å; V734-F754 HydrophobicContact CG1-CE1 4.46Å; V734-F754 HydrophobicContact CG1-CG 4.01Å; E752-F754 HydrophobicContact CB-CE2 3.93Å; E752-F754 HydrophobicContact CB-CZ 4.27Å; F754-T861 HydrophobicContact CB-CG2 4.37Å; F754-T861 HydrophobicContact CD1-CG2 4.48Å; F754-T861 HydrophobicContact CD2-CG2 4.07Å; F754-T861 HydrophobicContact CE2-CG2 4.48Å; F754-T861 HydrophobicContact CG-CG2 4.07Å; F754-P862 WeakPolarHBondContact O-CA 3.31Å; F754-E865 WeakPolarHBondContact CA-OE2 3.47Å; F754-E865 HydrophobicContact CB-CB 4.27Å; F754-E865 HydrophobicContact CB-CG 4.09Å; F754-E865 VanDerWaalsContact CB-OE2 3.29Å; F754-E865 WeakPolarHBondContact CB-OE2 3.37Å; F754-E865 PolarHBondContact N-OE2 2.74Å; F754-H958 AromaticContact CD2-CD2 3.65Å; F754-H958 AromaticContact CE2-CD2 3.77Å; F754-H958 AromaticContact CE2-NE2 3.8Å
755	I	88.9	Confident	71.3	Confident	9 Å²	9	70.4 Å²	70.4	5%	0.046	34%	0.336	C	S	.	.	S	Bend	trans	-122.3	128.5	-175.5	-53.6	161	0	0	0	108.3	V753 R757 V759 I760 E865 Y869 V961	V753-I755 HydrophobicContact CG1-CB 3.92Å; V753-I755 HydrophobicContact CG1-CD1 4.08Å; V753-I755 HydrophobicContact CG1-CG1 4.15Å; V753-I755 PolarHBondContact O-N 3.36Å; V753-I755 VanDerWaalsContact O-N 3.13Å; I755-R757 PolarHBondContact O-N 3.48Å; I755-V759 HydrophobicContact CG2-CB 4.2Å; I755-V759 HydrophobicContact CG2-CG1 4.19Å; I755-I760 HydrophobicContact CB-CD1 4.16Å; I755-I760 HydrophobicContact CB-CG1 4.2Å; I755-I760 HydrophobicContact CG2-CD1 4.28Å; I755-I760 HydrophobicContact CG2-CG1 3.76Å; I755-E865 HydrophobicContact CG1-CB 3.93Å; I755-Y869 HydrophobicContact CD1-CD2 3.64Å; I755-Y869 HydrophobicContact CD1-CE2 4.45Å; I755-Y869 HydrophobicContact CD1-CG 3.77Å; I755-Y869 HydrophobicContact CG2-CD1 4.28Å; I755-Y869 HydrophobicContact CG2-CG 4.36Å; I755-V961 HydrophobicContact CD1-CB 4.49Å; I755-V961 HydrophobicContact CD1-CG1 3.67Å; I755-V961 HydrophobicContact CD1-CG2 3.94Å
756	P	90.4	Very high	74.1	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.006	30%	0.296	C	S	.	.			trans	-57.1	133.7	178.7	-23.8	31.5	0	0	0	112.1	L730 L733 V734 F758 V759 I760 F819 T866	L730-P756 HydrophobicContact CD1-CG 3.36Å; L730-P756 HydrophobicContact CG-CG 4.49Å; L733-P756 HydrophobicContact CB-CB 4.3Å; L733-P756 HydrophobicContact CB-CG 4.2Å; L733-P756 HydrophobicContact CD1-CG 4.45Å; V734-P756 HydrophobicContact CG2-CG 4.19Å; P756-F758 PolarHBondContact O-N 3.43Å; P756-F758 VanDerWaalsContact O-N 3.09Å; P756-V759 HydrophobicContact CB-CG2 4.12Å; P756-V759 HydrophobicContact CG-CG2 4.23Å; P756-V759 WeakPolarHBondContact O-CB 3.37Å; P756-V759 PolarHBondContact O-N 2.58Å; P756-I760 PolarHBondContact O-N 2.95Å; P756-F819 HydrophobicContact CB-CZ 4.34Å; P756-F819 HydrophobicContact CG-CZ 4.11Å; P756-T866 WeakPolarHBondContact CD-OG1 3.31Å
757	R	88.7	Confident	77.1	Confident	102 Å²	102	58.5 Å²	58.5	39%	0.385	27%	0.27	S	S	.	.	H	α-helix	trans	-54	-33.8	179.1	-172	180	175.8	-163.8	-6.3	113.1	I755 I760 A761 T798 I801	I755-R757 PolarHBondContact O-N 3.48Å; R757-I760 PolarHBondContact O-N 2.98Å; R757-A761 WeakPolarHBondContact O-CB 3.44Å; R757-A761 PolarHBondContact O-N 3.23Å; R757-T798 PolarHBondContact NH1-OG1 3.16Å; R757-I801 HydrophobicContact CG-CD1 3.81Å
758	F	92	Very high	79.8	Confident	1 Å²	1	57.3 Å²	57.3	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-56.5	-50.7	172.4	167.6	-97.9	0	0	0	112.3	L725 F726 P756 I760 A761 C762 F793 L815 L816 F819	L725-F758 HydrophobicContact CD1-CB 4.08Å; L725-F758 HydrophobicContact CD2-CB 3.7Å; L725-F758 HydrophobicContact CD2-CD1 4.43Å; L725-F758 HydrophobicContact CD2-CD2 3.68Å; L725-F758 HydrophobicContact CD2-CE2 4.45Å; L725-F758 HydrophobicContact CD2-CG 3.67Å; L725-F758 HydrophobicContact CG-CB 4.5Å; F726-F758 HydrophobicContact CE1-CZ 4.34Å; F726-F758 AromaticContact CZ-CE2 3.95Å; F726-F758 HydrophobicContact CZ-CE2 3.95Å; F726-F758 AromaticContact CZ-CZ 3.93Å; F726-F758 HydrophobicContact CZ-CZ 3.93Å; P756-F758 PolarHBondContact O-N 3.43Å; P756-F758 VanDerWaalsContact O-N 3.09Å; F758-I760 VanDerWaalsContact C-N 3.34Å; F758-I760 PolarHBondContact O-N 3.3Å; F758-A761 PolarHBondContact O-N 3.21Å; F758-C762 VanDerWaalsContact CE2-SG 3.51Å; F758-C762 WeakPolarHBondContact O-CB 3.26Å; F758-C762 PolarHBondContact O-N 3.3Å; F758-C762 PolarHBondContact O-SG 3.08Å; F758-F793 AromaticContact CD2-CD1 3.55Å; F758-F793 HydrophobicContact CD2-CD1 3.55Å; F758-F793 HydrophobicContact CD2-CD2 4.07Å; F758-F793 AromaticContact CD2-CE1 3.58Å; F758-F793 HydrophobicContact CD2-CE1 3.58Å; F758-F793 HydrophobicContact CD2-CE2 4.12Å; F758-F793 AromaticContact CD2-CG 3.81Å; F758-F793 HydrophobicContact CD2-CG 3.81Å; F758-F793 AromaticContact CD2-CZ 3.88Å; F758-F793 HydrophobicContact CD2-CZ 3.88Å; F758-F793 HydrophobicContact CE2-CD1 4.19Å; F758-F793 AromaticContact CE2-CD2 3.86Å; F758-F793 HydrophobicContact CE2-CD2 3.86Å; F758-F793 HydrophobicContact CE2-CE1 4.21Å; F758-F793 AromaticContact CE2-CE2 3.9Å; F758-F793 HydrophobicContact CE2-CE2 3.9Å; F758-F793 HydrophobicContact CE2-CG 4.02Å; F758-F793 HydrophobicContact CE2-CZ 4.08Å; F758-L815 HydrophobicContact CE2-CD2 3.97Å; F758-L815 HydrophobicContact CE2-CG 4.23Å; F758-L815 HydrophobicContact CZ-CD2 4.25Å; F758-L815 HydrophobicContact CZ-CG 4.01Å; F758-L816 HydrophobicContact CE1-CD1 3.9Å; F758-F819 HydrophobicContact CD1-CB 4.14Å; F758-F819 HydrophobicContact CD1-CD1 4.1Å; F758-F819 AromaticContact CD1-CD2 3.79Å; F758-F819 HydrophobicContact CD1-CD2 3.79Å; F758-F819 HydrophobicContact CD1-CE1 4.49Å; F758-F819 HydrophobicContact CD1-CE2 4.21Å; F758-F819 AromaticContact CD1-CG 3.72Å; F758-F819 HydrophobicContact CD1-CG 3.72Å; F758-F819 HydrophobicContact CE1-CB 3.36Å; F758-F819 HydrophobicContact CE1-CD1 4.03Å; F758-F819 AromaticContact CE1-CD2 3.87Å; F758-F819 HydrophobicContact CE1-CD2 3.87Å; F758-F819 AromaticContact CE1-CG 3.47Å; F758-F819 HydrophobicContact CE1-CG 3.47Å; F758-F819 VanDerWaalsContact CE1-CG 3.47Å; F758-F819 HydrophobicContact CZ-CB 4.04Å; F758-F819 HydrophobicContact CZ-CG 4.5Å
759	V	93.9	Very high	82.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-45.7	-178.7	175.5	0	0	0	0	110	I755 P756 V763 L816 F819 F820 T866 Y869	I755-V759 HydrophobicContact CG2-CB 4.2Å; I755-V759 HydrophobicContact CG2-CG1 4.19Å; P756-V759 HydrophobicContact CB-CG2 4.12Å; P756-V759 HydrophobicContact CG-CG2 4.23Å; P756-V759 WeakPolarHBondContact O-CB 3.37Å; P756-V759 PolarHBondContact O-N 2.58Å; V759-V763 HydrophobicContact CG1-CG2 4.37Å; V759-V763 WeakPolarHBondContact O-CB 3.26Å; V759-V763 VanDerWaalsContact O-CG2 3.28Å; V759-V763 WeakPolarHBondContact O-CG2 3.43Å; V759-V763 PolarHBondContact O-N 3.35Å; V759-L816 HydrophobicContact CG1-CD1 4.36Å; V759-L816 HydrophobicContact CG2-CD1 4.35Å; V759-F819 HydrophobicContact CG2-CD1 3.87Å; V759-F819 HydrophobicContact CG2-CE1 3.52Å; V759-F819 HydrophobicContact CG2-CZ 4.26Å; V759-F820 HydrophobicContact CG1-CZ 4.17Å; V759-F820 HydrophobicContact CG2-CE2 4.48Å; V759-F820 HydrophobicContact CG2-CZ 3.99Å; V759-T866 HydrophobicContact CG1-CG2 4.39Å; V759-T866 HydrophobicContact CG2-CG2 4.47Å; V759-Y869 HydrophobicContact CG1-CD1 4.16Å; V759-Y869 HydrophobicContact CG1-CE1 4.41Å
760	I	92.4	Very high	84.9	Confident	38 Å²	38	42.8 Å²	42.8	20%	0.195	20%	0.195	C	C	.	.	H	α-helix	trans	-57	-54.1	177.3	-62.3	174.4	0	0	0	110.1	V753 I755 P756 R757 F758 C762 V763 E764 Y869	V753-I760 HydrophobicContact CG1-CD1 3.89Å; I755-I760 HydrophobicContact CB-CD1 4.16Å; I755-I760 HydrophobicContact CB-CG1 4.2Å; I755-I760 HydrophobicContact CG2-CD1 4.28Å; I755-I760 HydrophobicContact CG2-CG1 3.76Å; P756-I760 PolarHBondContact O-N 2.95Å; R757-I760 PolarHBondContact O-N 2.98Å; F758-I760 VanDerWaalsContact C-N 3.34Å; F758-I760 PolarHBondContact O-N 3.3Å; I760-C762 PolarHBondContact O-N 2.92Å; I760-V763 PolarHBondContact O-N 3.45Å; I760-E764 HydrophobicContact CG2-CG 4.19Å; I760-E764 WeakPolarHBondContact O-CB 3.06Å; I760-E764 WeakPolarHBondContact O-CG 3.36Å; I760-E764 PolarHBondContact O-N 3.27Å; I760-Y869 HydrophobicContact CG1-CE1 4.36Å
761	A	92.8	Very high	87.8	Confident	9 Å²	9	34.9 Å²	34.9	7%	0.074	16%	0.161	C	C	.	.	H	α-helix	trans	-63.7	-41	-175.4	0	0	0	0	0	113.2	R757 F758 E765 I801 L804	R757-A761 WeakPolarHBondContact O-CB 3.44Å; R757-A761 PolarHBondContact O-N 3.23Å; F758-A761 PolarHBondContact O-N 3.21Å; A761-E765 WeakPolarHBondContact O-CB 3.32Å; A761-E765 PolarHBondContact O-N 3.14Å; A761-I801 HydrophobicContact CB-CB 4.41Å; A761-I801 HydrophobicContact CB-CD1 3.74Å; A761-I801 HydrophobicContact CB-CG1 3.55Å; A761-I801 HydrophobicContact CB-CG2 4.05Å; A761-L804 HydrophobicContact CB-CD1 3.87Å
762	C	95.8	Very high	90	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.2	-47.3	175.2	-72.9	0	0	0	0	111.5	F758 I760 E765 I766 I812 L816	F758-C762 VanDerWaalsContact CE2-SG 3.51Å; F758-C762 WeakPolarHBondContact O-CB 3.26Å; F758-C762 PolarHBondContact O-N 3.3Å; F758-C762 PolarHBondContact O-SG 3.08Å; I760-C762 PolarHBondContact O-N 2.92Å; C762-E765 PolarHBondContact O-N 2.69Å; C762-I766 WeakPolarHBondContact O-CB 3.45Å; C762-I766 WeakPolarHBondContact O-CD1 3.5Å; C762-I766 WeakPolarHBondContact O-CG1 3.3Å; C762-I766 PolarHBondContact O-N 3.36Å; C762-I812 HydrophobicContact CB-CG2 3.88Å; C762-L816 HydrophobicContact CB-CB 4.4Å; C762-L816 HydrophobicContact CB-CD1 4.07Å; C762-L816 HydrophobicContact CB-CD2 4.38Å
763	V	95.8	Very high	91.5	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.4	-47.3	178.9	165.3	0	0	0	0	111.1	V759 I760 E765 I766 E767 L816 Y869 H873	V759-V763 HydrophobicContact CG1-CG2 4.37Å; V759-V763 WeakPolarHBondContact O-CB 3.26Å; V759-V763 VanDerWaalsContact O-CG2 3.28Å; V759-V763 WeakPolarHBondContact O-CG2 3.43Å; V759-V763 PolarHBondContact O-N 3.35Å; I760-V763 PolarHBondContact O-N 3.45Å; V763-E765 VanDerWaalsContact C-N 3.32Å; V763-E765 PolarHBondContact O-N 2.91Å; V763-I766 PolarHBondContact O-N 2.98Å; V763-E767 HydrophobicContact CG1-CG 4.45Å; V763-E767 WeakPolarHBondContact O-CG 3.09Å; V763-E767 PolarHBondContact O-N 3.26Å; V763-L816 HydrophobicContact CG2-CD2 4Å; V763-Y869 HydrophobicContact CB-CE1 3.68Å; V763-Y869 HydrophobicContact CG1-CE1 3.63Å; V763-Y869 HydrophobicContact CG2-CD1 4.41Å; V763-Y869 HydrophobicContact CG2-CE1 3.89Å; V763-H873 HydrophobicContact CG1-CB 3.83Å
764	E	94.1	Very high	92.4	Very high	66 Å²	66	36.5 Å²	36.5	31%	0.308	17%	0.173	S	C	.	.	H	α-helix	trans	-59.4	-43.3	178.5	-75.1	-177.9	162	0	0	111.7	I760 E767 R768 P964	I760-E764 HydrophobicContact CG2-CG 4.19Å; I760-E764 WeakPolarHBondContact O-CB 3.06Å; I760-E764 WeakPolarHBondContact O-CG 3.36Å; I760-E764 PolarHBondContact O-N 3.27Å; E764-E767 PolarHBondContact O-N 3.36Å; E764-R768 VanDerWaalsContact O-CB 3.27Å; E764-R768 WeakPolarHBondContact O-CB 3.42Å; E764-R768 PolarHBondContact O-N 2.92Å; E764-P964 HydrophobicContact CG-CG 4.16Å
765	E	94.9	Very high	92.5	Very high	14 Å²	14	34.2 Å²	34.2	7%	0.065	17%	0.166	C	C	.	.	H	α-helix	trans	-67	-38.7	177.7	-179.4	59.3	-159.5	0	0	112.3	A761 C762 V763 E767 R768 R769 L804 P805 I812	A761-E765 WeakPolarHBondContact O-CB 3.32Å; A761-E765 PolarHBondContact O-N 3.14Å; C762-E765 PolarHBondContact O-N 2.69Å; V763-E765 VanDerWaalsContact C-N 3.32Å; V763-E765 PolarHBondContact O-N 2.91Å; E765-E767 VanDerWaalsContact C-N 3.34Å; E765-R768 PolarHBondContact O-N 3.47Å; E765-R768 IonicContact OE1-CZ 2.71Å; E765-R768 IonicContact OE1-NE 3.43Å; E765-R768 PolarHBondContact OE1-NE 3.31Å; E765-R768 IonicContact OE1-NH2 3.54Å; E765-R768 PolarHBondContact OE1-NH2 3.45Å; E765-R768 IonicContact OE2-CZ 3.62Å; E765-R768 IonicContact OE2-NE 3.49Å; E765-R768 PolarHBondContact OE2-NE 3.5Å; E765-R768 IonicContact OE2-NH2 3.68Å; E765-R768 PolarHBondContact OE2-NH2 2.9Å; E765-R769 WeakPolarHBondContact O-CG 3.19Å; E765-R769 PolarHBondContact O-N 2.92Å; E765-R769 WeakPolarHBondContact OE1-CD 3.35Å; E765-R769 IonicContact OE1-CZ 3.34Å; E765-R769 IonicContact OE1-NE 3.67Å; E765-R769 PolarHBondContact OE1-NE 2.98Å; E765-R769 IonicContact OE1-NH2 2.89Å; E765-R769 PolarHBondContact OE1-NH2 2.67Å; E765-L804 HydrophobicContact CB-CB 4.46Å; E765-L804 HydrophobicContact CB-CD1 4.38Å; E765-L804 HydrophobicContact CG-CB 4.1Å; E765-P805 WeakPolarHBondContact OE1-CA 3.45Å; E765-I812 HydrophobicContact CG-CD1 3.75Å
766	I	96.3	Very high	92.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.4	-41	174.8	-69.9	163.8	0	0	0	110.2	C762 V763 G770 I776 Y777 L809 I812 T813 L816	C762-I766 WeakPolarHBondContact O-CB 3.45Å; C762-I766 WeakPolarHBondContact O-CD1 3.5Å; C762-I766 WeakPolarHBondContact O-CG1 3.3Å; C762-I766 PolarHBondContact O-N 3.36Å; V763-I766 PolarHBondContact O-N 2.98Å; I766-G770 WeakPolarHBondContact O-CA 3.35Å; I766-G770 PolarHBondContact O-N 3.01Å; I766-I776 HydrophobicContact CG2-CD1 3.48Å; I766-I776 VanDerWaalsContact CG2-CD1 3.48Å; I766-I776 HydrophobicContact CG2-CG1 4.44Å; I766-Y777 HydrophobicContact CD1-CE1 4.24Å; I766-Y777 WeakPolarHBondContact CD1-OH 3.45Å; I766-L809 HydrophobicContact CG1-CD2 4.24Å; I766-I812 HydrophobicContact CD1-CG2 3.99Å; I766-I812 HydrophobicContact CG1-CG2 3.99Å; I766-T813 HydrophobicContact CD1-CG2 3.81Å; I766-T813 HydrophobicContact CG1-CG2 4.07Å; I766-L816 HydrophobicContact CD1-CD2 3.99Å
767	E	95.4	Very high	92.8	Very high	5 Å²	5	34.2 Å²	34.2	2%	0.023	17%	0.166	C	C	.	.	H	α-helix	trans	-70.4	-37.6	177.3	-67.4	-163.6	152.7	0	0	112.7	V763 E764 E765 R769 L771 H873 T876 R963 Y966	V763-E767 HydrophobicContact CG1-CG 4.45Å; V763-E767 WeakPolarHBondContact O-CG 3.09Å; V763-E767 PolarHBondContact O-N 3.26Å; E764-E767 PolarHBondContact O-N 3.36Å; E765-E767 VanDerWaalsContact C-N 3.34Å; E767-R769 VanDerWaalsContact C-N 3.26Å; E767-R769 PolarHBondContact O-N 3.48Å; E767-L771 HydrophobicContact CB-CD1 4.31Å; E767-L771 HydrophobicContact CB-CG 4.44Å; E767-L771 HydrophobicContact CG-CD2 4.25Å; E767-L771 VanDerWaalsContact O-CD1 3.25Å; E767-L771 WeakPolarHBondContact O-CD1 3.14Å; E767-L771 WeakPolarHBondContact O-CG 3.29Å; E767-H873 VanDerWaalsContact CD-ND1 3.31Å; E767-H873 VanDerWaalsContact CG-CE1 3.45Å; E767-H873 WeakPolarHBondContact CG-CE1 3.27Å; E767-H873 VanDerWaalsContact CG-ND1 3.25Å; E767-H873 WeakPolarHBondContact CG-ND1 3.02Å; E767-H873 IonicContact OE1-CE1 2.73Å; E767-H873 IonicContact OE1-CG 3.43Å; E767-H873 IonicContact OE1-ND1 2.73Å; E767-H873 PolarHBondContact OE1-ND1 2.89Å; E767-T876 WeakPolarHBondContact OE1-CB 3.13Å; E767-T876 WeakPolarHBondContact OE1-CG2 3.34Å; E767-R963 IonicContact OE1-CZ 2.67Å; E767-R963 VanDerWaalsContact OE1-CZ 3.23Å; E767-R963 IonicContact OE1-NE 3.83Å; E767-R963 IonicContact OE1-NH1 3.41Å; E767-R963 IonicContact OE1-NH2 3.33Å; E767-R963 PolarHBondContact OE1-NH2 2.98Å; E767-R963 IonicContact OE2-CZ 3.23Å; E767-R963 IonicContact OE2-NE 2.66Å; E767-R963 IonicContact OE2-NH2 2.54Å; E767-R963 PolarHBondContact OE2-NH2 3.38Å; E767-Y966 HydrophobicContact CB-CD2 3.74Å; E767-Y966 HydrophobicContact CB-CE2 4Å
768	R	94	Very high	92.7	Very high	118 Å²	118	32.9 Å²	32.9	45%	0.445	16%	0.161	S	C	.	.	H	α-helix	trans	-59	-33.8	-179.6	-169	-170.5	69.3	75	-1.1	113.3	E764 E765 Y966	E764-R768 VanDerWaalsContact O-CB 3.27Å; E764-R768 WeakPolarHBondContact O-CB 3.42Å; E764-R768 PolarHBondContact O-N 2.92Å; E765-R768 PolarHBondContact O-N 3.47Å; E765-R768 IonicContact OE1-CZ 2.71Å; E765-R768 IonicContact OE1-NE 3.43Å; E765-R768 PolarHBondContact OE1-NE 3.31Å; E765-R768 IonicContact OE1-NH2 3.54Å; E765-R768 PolarHBondContact OE1-NH2 3.45Å; E765-R768 IonicContact OE2-CZ 3.62Å; E765-R768 IonicContact OE2-NE 3.49Å; E765-R768 PolarHBondContact OE2-NE 3.5Å; E765-R768 IonicContact OE2-NH2 3.68Å; E765-R768 PolarHBondContact OE2-NH2 2.9Å; R768-Y966 HydrophobicContact CB-CE1 4.27Å; R768-Y966 HydrophobicContact CG-CE1 4.15Å
769	R	93.6	Very high	92.5	Very high	75 Å²	75	33.7 Å²	33.7	28%	0.283	17%	0.166	S	C	.	.	H	α-helix	trans	-139.4	-9.1	-175.4	56.9	158.3	175.7	143.6	3.3	116.6	E765 E767 L804 V807 L809	E765-R769 WeakPolarHBondContact O-CG 3.19Å; E765-R769 PolarHBondContact O-N 2.92Å; E765-R769 WeakPolarHBondContact OE1-CD 3.35Å; E765-R769 IonicContact OE1-CZ 3.34Å; E765-R769 IonicContact OE1-NE 3.67Å; E765-R769 PolarHBondContact OE1-NE 2.98Å; E765-R769 IonicContact OE1-NH2 2.89Å; E765-R769 PolarHBondContact OE1-NH2 2.67Å; E767-R769 VanDerWaalsContact C-N 3.26Å; E767-R769 PolarHBondContact O-N 3.48Å; R769-L804 PolarHBondContact NH2-O 2.81Å; R769-V807 PolarHBondContact NH1-O 3.16Å; R769-V807 PolarHBondContact NH2-O 2.74Å; R769-L809 HydrophobicContact CG-CD1 4.18Å; R769-L809 HydrophobicContact CG-CD2 4.09Å; R769-L809 HydrophobicContact CG-CG 4.31Å
770	G	92.1	Very high	92.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-98.9	-16	-172.3	0	0	0	0	0	115.4	I766 L772 V773 I776 L809	I766-G770 WeakPolarHBondContact O-CA 3.35Å; I766-G770 PolarHBondContact O-N 3.01Å; G770-L772 PolarHBondContact O-N 3.43Å; G770-V773 WeakPolarHBondContact O-CB 3.49Å; G770-V773 PolarHBondContact O-N 3.5Å; G770-I776 WeakPolarHBondContact O-CD1 3.45Å; G770-L809 VanDerWaalsContact CA-CD1 3.47Å
771	L	94.7	Very high	92.2	Very high	11 Å²	11	32.9 Å²	32.9	6%	0.058	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25	-173.9	-67	172.7	0	0	0	114.5	E767 T876 V877 Y880 N884	E767-L771 HydrophobicContact CB-CD1 4.31Å; E767-L771 HydrophobicContact CB-CG 4.44Å; E767-L771 HydrophobicContact CG-CD2 4.25Å; E767-L771 VanDerWaalsContact O-CD1 3.25Å; E767-L771 WeakPolarHBondContact O-CD1 3.14Å; E767-L771 WeakPolarHBondContact O-CG 3.29Å; L771-T876 HydrophobicContact CD1-CG2 4.39Å; L771-T876 HydrophobicContact CD2-CG2 4.04Å; L771-V877 HydrophobicContact CD2-CG2 3.93Å; L771-Y880 HydrophobicContact CB-CD1 4.32Å; L771-Y880 HydrophobicContact CB-CD2 3.99Å; L771-Y880 HydrophobicContact CB-CE2 4.31Å; L771-Y880 HydrophobicContact CB-CG 4.01Å; L771-Y880 HydrophobicContact CD1-CD2 4.15Å; L771-Y880 HydrophobicContact CD1-CE2 3.7Å; L771-Y880 HydrophobicContact CD2-CD2 4.13Å; L771-Y880 HydrophobicContact CD2-CE2 4.4Å; L771-Y880 HydrophobicContact CG-CD2 4.3Å; L771-Y880 HydrophobicContact CG-CE2 4.35Å; L771-Y880 WeakPolarHBondContact O-CB 3.46Å; L771-N884 WeakPolarHBondContact O-CB 3.37Å; L771-N884 PolarHBondContact O-ND2 2.75Å
772	L	93.5	Very high	92.2	Very high	107 Å²	107	32.6 Å²	32.6	56%	0.56	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-4.1	179.3	-55.5	-178.5	0	0	0	113.6	G770 V774 Y880 Q883	G770-L772 PolarHBondContact O-N 3.43Å; L772-V774 PolarHBondContact O-N 2.94Å; L772-Y880 HydrophobicContact CD2-CD1 3.58Å; L772-Y880 HydrophobicContact CD2-CE1 4.24Å; L772-Y880 HydrophobicContact CD2-CG 4.43Å; L772-Q883 HydrophobicContact CD2-CB 3.92Å; L772-Q883 HydrophobicContact CD2-CG 3.98Å
773	V	90.1	Very high	92	Very high	60 Å²	60	33.4 Å²	33.4	36%	0.364	17%	0.166	S	C	.	.	S	Bend	trans	-77.5	120.4	-175.2	176.7	0	0	0	0	110	G770 G775 I776 L809 N884	G770-V773 WeakPolarHBondContact O-CB 3.49Å; G770-V773 PolarHBondContact O-N 3.5Å; V773-G775 PolarHBondContact O-N 3.44Å; V773-I776 PolarHBondContact O-N 2.93Å; V773-L809 HydrophobicContact CB-CD1 4.49Å; V773-L809 HydrophobicContact CG2-CD1 3.66Å; V773-N884 WeakPolarHBondContact O-CB 3.37Å
774	V	87.3	Confident	91.8	Very high	93 Å²	93	36.8 Å²	36.8	56%	0.564	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	131	179.2	-179.6	0	0	0	0	110.3	L772 I776 Q883 N884 K885	L772-V774 PolarHBondContact O-N 2.94Å; V774-I776 VanDerWaalsContact C-N 3.28Å; V774-I776 PolarHBondContact O-N 3.34Å; V774-Q883 WeakPolarHBondContact CG2-O 3.21Å; V774-N884 CarbonylContact C-O 3.47Å; V774-N884 WeakPolarHBondContact CA-O 3.34Å; V774-K885 HydrophobicContact CG1-CB 4.39Å; V774-K885 HydrophobicContact CG1-CG 4.03Å
775	G	85.6	Confident	91.7	Very high	10 Å²	10	36.5 Å²	36.5	10%	0.103	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	23.6	177	0	0	0	0	0	113.9	V773 Y777 R778 V779 N884	V773-G775 PolarHBondContact O-N 3.44Å; G775-Y777 PolarHBondContact O-N 2.71Å; G775-R778 WeakPolarHBondContact O-CA 3.33Å; G775-R778 VanDerWaalsContact O-CB 3.26Å; G775-R778 WeakPolarHBondContact O-CB 2.99Å; G775-R778 PolarHBondContact O-N 3.15Å; G775-V779 PolarHBondContact O-N 3.39Å; G775-N884 PolarHBondContact N-O 2.62Å
776	I	91.9	Very high	91.6	Very high	8 Å²	8	36 Å²	36	4%	0.041	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	134	172.3	-173.6	167	0	0	0	110.8	I766 G770 V773 V774 R778 T813 V877 N884 M886	I766-I776 HydrophobicContact CG2-CD1 3.48Å; I766-I776 VanDerWaalsContact CG2-CD1 3.48Å; I766-I776 HydrophobicContact CG2-CG1 4.44Å; G770-I776 WeakPolarHBondContact O-CD1 3.45Å; V773-I776 PolarHBondContact O-N 2.93Å; V774-I776 VanDerWaalsContact C-N 3.28Å; V774-I776 PolarHBondContact O-N 3.34Å; I776-R778 PolarHBondContact O-N 3.09Å; I776-T813 HydrophobicContact CG1-CG2 4.19Å; I776-V877 HydrophobicContact CG2-CG1 3.61Å; I776-N884 HydrophobicContact CG2-CB 4.19Å; I776-M886 HydrophobicContact CG2-CB 4.25Å; I776-M886 HydrophobicContact CG2-CG 3.84Å; I776-M886 WeakPolarHBondContact O-CG 3.33Å
777	Y	93.1	Very high	91.4	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	-21	-168.4	-64.2	-67.9	0	0	0	117.9	I766 G775 T813 L816 K817 H873 L874 V877 L891 W895	I766-Y777 HydrophobicContact CD1-CE1 4.24Å; I766-Y777 WeakPolarHBondContact CD1-OH 3.45Å; G775-Y777 PolarHBondContact O-N 2.71Å; Y777-T813 HydrophobicContact CD1-CG2 3.85Å; Y777-T813 HydrophobicContact CE1-CG2 3.66Å; Y777-T813 HydrophobicContact CG-CG2 4.45Å; Y777-L816 HydrophobicContact CE1-CD2 4.42Å; Y777-K817 HydrophobicContact CD1-CD 4.43Å; Y777-K817 HydrophobicContact CD1-CG 4.46Å; Y777-K817 PolarHBondContact O-NZ 3.34Å; Y777-H873 AromaticContact CE2-NE2 3.44Å; Y777-H873 WeakPolarHBondContact CE2-NE2 3.47Å; Y777-H873 AromaticContact CZ-NE2 3.51Å; Y777-H873 PolarHBondContact OH-CD2 3.01Å; Y777-H873 VanDerWaalsContact OH-CD2 3.22Å; Y777-H873 PolarHBondContact OH-NE2 3.18Å; Y777-L874 HydrophobicContact CE2-CD2 4.25Å; Y777-V877 HydrophobicContact CE2-CG2 4.39Å; Y777-L891 HydrophobicContact CD2-CD2 4Å; Y777-W895 AromaticContact CD1-CZ2 3.69Å; Y777-W895 HydrophobicContact CD1-CZ2 3.69Å; Y777-W895 AromaticContact CD1-NE1 3.86Å; Y777-W895 AromaticContact CD2-NE1 3.82Å; Y777-W895 HydrophobicContact CE1-CH2 4.25Å; Y777-W895 AromaticContact CE1-CZ2 3.32Å; Y777-W895 HydrophobicContact CE1-CZ2 3.32Å; Y777-W895 HydrophobicContact CE2-CZ2 4.3Å; Y777-W895 HydrophobicContact CG-CZ2 4.35Å; Y777-W895 AromaticContact CG-NE1 3.67Å; Y777-W895 AromaticContact CZ-CZ2 3.63Å
778	R	88.1	Confident	91.2	Very high	74 Å²	74	44.6 Å²	44.6	28%	0.279	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-41.2	176.1	-173.9	-179.6	179.4	147.8	1.5	112.1	E627 G775 I776 M886 I894	E627-R778 VanDerWaalsContact CB-NH2 3.29Å; E627-R778 IonicContact OE1-CZ 3.4Å; E627-R778 IonicContact OE1-NH1 3.48Å; E627-R778 PolarHBondContact OE1-NH1 3.13Å; E627-R778 IonicContact OE1-NH2 2.97Å; E627-R778 PolarHBondContact OE1-NH2 3.06Å; E627-R778 IonicContact OE2-CZ 2.67Å; E627-R778 IonicContact OE2-NE 2.78Å; E627-R778 IonicContact OE2-NH1 3.49Å; E627-R778 PolarHBondContact OE2-NH1 3.36Å; E627-R778 IonicContact OE2-NH2 2.97Å; E627-R778 PolarHBondContact OE2-NH2 3.07Å; G775-R778 WeakPolarHBondContact O-CA 3.33Å; G775-R778 VanDerWaalsContact O-CB 3.26Å; G775-R778 WeakPolarHBondContact O-CB 2.99Å; G775-R778 PolarHBondContact O-N 3.15Å; I776-R778 PolarHBondContact O-N 3.09Å; R778-M886 HydrophobicContact CB-CE 4.38Å; R778-M886 HydrophobicContact CB-SD 4.48Å; R778-I894 HydrophobicContact CB-CD1 4.08Å
779	V	88	Confident	91.2	Very high	19 Å²	19	39.1 Å²	39.1	12%	0.115	21%	0.209	C	C	.	.	S	Bend	trans	-74.7	129.9	177.8	-176.6	0	0	0	0	110.3	V629 G775 P810	V629-V779 WeakPolarHBondContact O-CA 3.41Å; G775-V779 PolarHBondContact O-N 3.39Å; V779-P810 HydrophobicContact CG1-CB 4.32Å; V779-P810 HydrophobicContact CG1-CG 4.14Å
780	C	89.1	Confident	91.1	Very high	17 Å²	17	37.3 Å²	37.3	12%	0.115	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-88.9	137.7	-179.7	-69.9	0	0	0	0	112.2	V629 D647	V629-C780 PolarHBondContact O-N 3.35Å; D647-C780 PolarHBondContact O-SG 2.61Å
781	G	91	Very high	91.1	Very high	4 Å²	4	40.3 Å²	40.3	4%	0.041	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-73.4	159.4	166.9	0	0	0	0	0	113	N783 I786 P810 S814	G781-N783 PolarHBondContact O-N 2.87Å; G781-I786 WeakPolarHBondContact O-CD1 3.19Å; G781-P810 PolarHBondContact N-O 2.64Å; G781-S814 PolarHBondContact N-OG 2.82Å; G781-S814 VanDerWaalsContact N-OG 3.16Å
782	S	92.7	Very high	90.9	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.021	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-60.3	131.6	173	158.5	0	0	0	0	111.2	Q644 D784 N785 I786	Q644-S782 PolarHBondContact NE2-OG 3.26Å; S782-D784 VanDerWaalsContact C-N 3.25Å; S782-D784 PolarHBondContact O-N 3.23Å; S782-D784 PolarHBondContact OG-N 3.17Å; S782-N785 PolarHBondContact O-N 3.43Å; S782-I786 VanDerWaalsContact O-CG1 3.27Å; S782-I786 WeakPolarHBondContact O-CG1 3.43Å; S782-I786 PolarHBondContact O-N 2.92Å
783	N	91.2	Very high	90.8	Very high	16 Å²	16	36.6 Å²	36.6	9%	0.086	20%	0.204	C	C	.	.	H	α-helix	trans	-57.3	-36.1	-179.3	-75.3	-14.1	0	0	0	112.6	S645 D647 G781 I786 K787	S645-N783 WeakPolarHBondContact O-CB 2.99Å; S645-N783 PolarHBondContact O-N 2.82Å; D647-N783 PolarHBondContact OD1-ND2 3.43Å; G781-N783 PolarHBondContact O-N 2.87Å; N783-I786 PolarHBondContact O-N 3.13Å; N783-K787 WeakPolarHBondContact O-CB 3.24Å; N783-K787 VanDerWaalsContact O-CG 3.25Å; N783-K787 WeakPolarHBondContact O-CG 3.46Å; N783-K787 PolarHBondContact O-N 2.97Å
784	D	91.3	Very high	90.7	Very high	71 Å²	71	35 Å²	35	38%	0.38	19%	0.193	S	C	.	.	H	α-helix	trans	-70.8	-41.2	179.2	-55.8	-45.3	0	0	0	112.1	S782 I786 K787 A788	S782-D784 VanDerWaalsContact C-N 3.25Å; S782-D784 PolarHBondContact O-N 3.23Å; S782-D784 PolarHBondContact OG-N 3.17Å; D784-I786 VanDerWaalsContact C-N 3.32Å; D784-K787 PolarHBondContact O-N 3.42Å; D784-A788 WeakPolarHBondContact O-CB 3.45Å; D784-A788 PolarHBondContact O-N 3.29Å
785	N	92.5	Very high	90.7	Very high	61 Å²	61	38.3 Å²	38.3	33%	0.326	20%	0.202	S	C	.	.	H	α-helix	trans	-66	-37.4	174.4	-73.7	-11.3	0	0	0	111.2	S782 L789 E808 V811	S782-N785 PolarHBondContact O-N 3.43Å; N785-L789 WeakPolarHBondContact O-CB 3.36Å; N785-L789 PolarHBondContact O-N 2.95Å; N785-E808 PolarHBondContact ND2-OE2 3.04Å; N785-V811 HydrophobicContact CB-CG1 4.01Å; N785-V811 HydrophobicContact CB-CG2 3.66Å
786	I	92	Very high	90.8	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-63.7	-48.5	174.5	-65.9	163.1	0	0	0	110.1	G781 S782 N783 D784 A788 L789 K790 V811 S814 L815	G781-I786 WeakPolarHBondContact O-CD1 3.19Å; S782-I786 VanDerWaalsContact O-CG1 3.27Å; S782-I786 WeakPolarHBondContact O-CG1 3.43Å; S782-I786 PolarHBondContact O-N 2.92Å; N783-I786 PolarHBondContact O-N 3.13Å; D784-I786 VanDerWaalsContact C-N 3.32Å; I786-A788 PolarHBondContact O-N 3.4Å; I786-L789 PolarHBondContact O-N 3.32Å; I786-K790 VanDerWaalsContact O-CB 3.25Å; I786-K790 WeakPolarHBondContact O-CB 2.82Å; I786-K790 PolarHBondContact O-N 3.23Å; I786-V811 HydrophobicContact CG1-CB 4.47Å; I786-V811 HydrophobicContact CG1-CG1 3.94Å; I786-S814 VanDerWaalsContact CD1-CB 3.41Å; I786-L815 HydrophobicContact CG2-CB 4.36Å; I786-L815 HydrophobicContact CG2-CD1 3.86Å
787	K	91.3	Very high	90.5	Very high	133 Å²	133	41 Å²	41	58%	0.578	22%	0.22	S	C	*	.	H	α-helix	trans	-59.1	-46	176.6	-75.3	171.8	-176.6	175.7	0	111.8	N783 D784 K790 S791	N783-K787 WeakPolarHBondContact O-CB 3.24Å; N783-K787 VanDerWaalsContact O-CG 3.25Å; N783-K787 WeakPolarHBondContact O-CG 3.46Å; N783-K787 PolarHBondContact O-N 2.97Å; D784-K787 PolarHBondContact O-N 3.42Å; K787-K790 WeakPolarHBondContact O-CB 3.49Å; K787-K790 PolarHBondContact O-N 3.46Å; K787-S791 PolarHBondContact O-N 3.42Å; K787-S791 PolarHBondContact O-OG 3.38Å
788	A	92.5	Very high	90.2	Very high	53 Å²	53	43.8 Å²	43.8	44%	0.438	24%	0.237	S	C	.	.	H	α-helix	trans	-62.2	-45.9	178.9	0	0	0	0	0	112	D784 I786 S791 E792	D784-A788 WeakPolarHBondContact O-CB 3.45Å; D784-A788 PolarHBondContact O-N 3.29Å; I786-A788 PolarHBondContact O-N 3.4Å; A788-S791 PolarHBondContact O-N 2.88Å; A788-E792 PolarHBondContact O-N 3.34Å; A788-E792 VanDerWaalsContact O-N 3.07Å
789	L	93.6	Very high	90.3	Very high	4 Å²	4	45 Å²	45	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-67.8	-37.7	177.6	-173.9	64	0	0	0	111.6	N785 I786 E792 F793 L804 V807 V811 I812 L815	N785-L789 WeakPolarHBondContact O-CB 3.36Å; N785-L789 PolarHBondContact O-N 2.95Å; I786-L789 PolarHBondContact O-N 3.32Å; L789-E792 PolarHBondContact O-N 3.14Å; L789-F793 HydrophobicContact CD1-CD2 3.96Å; L789-F793 HydrophobicContact CD1-CE2 3.73Å; L789-F793 HydrophobicContact CD2-CE2 4.12Å; L789-F793 HydrophobicContact CG-CD2 3.83Å; L789-F793 HydrophobicContact CG-CE2 3.78Å; L789-F793 VanDerWaalsContact O-CD2 3.31Å; L789-F793 WeakPolarHBondContact O-CD2 3.34Å; L789-F793 PolarHBondContact O-N 3.02Å; L789-L804 HydrophobicContact CD2-CD2 4.2Å; L789-V807 HydrophobicContact CD1-CG2 4.21Å; L789-V807 HydrophobicContact CD2-CG1 4.12Å; L789-V811 HydrophobicContact CB-CG1 4.48Å; L789-V811 HydrophobicContact CD2-CG1 4.13Å; L789-I812 HydrophobicContact CD2-CG1 4.47Å; L789-L815 HydrophobicContact CB-CD2 4.01Å; L789-L815 HydrophobicContact CD2-CD2 3.52Å; L789-L815 HydrophobicContact CG-CD2 3.54Å
790	K	92	Very high	90.4	Very high	36 Å²	36	44.1 Å²	44.1	16%	0.157	24%	0.243	C	C	.	.	H	α-helix	trans	-55.4	-51.9	173.4	-172.1	-177.7	177.9	178.7	0	110.7	F726 I786 K787 E792 F793 D794 L815	F726-K790 VanDerWaalsContact CB-CE 3.48Å; F726-K790 HydrophobicContact CD1-CD 4.39Å; F726-K790 HydrophobicContact CD1-CG 4.17Å; F726-K790 HydrophobicContact CD2-CD 4.36Å; F726-K790 HydrophobicContact CD2-CG 3.5Å; F726-K790 VanDerWaalsContact CD2-CG 3.5Å; F726-K790 HydrophobicContact CE1-CG 4.18Å; F726-K790 HydrophobicContact CE2-CB 4.26Å; F726-K790 HydrophobicContact CE2-CG 3.53Å; F726-K790 HydrophobicContact CG-CD 4.23Å; F726-K790 VanDerWaalsContact CG-CE 3.47Å; F726-K790 HydrophobicContact CG-CG 3.85Å; F726-K790 HydrophobicContact CZ-CB 4.48Å; F726-K790 HydrophobicContact CZ-CG 3.91Å; I786-K790 VanDerWaalsContact O-CB 3.25Å; I786-K790 WeakPolarHBondContact O-CB 2.82Å; I786-K790 PolarHBondContact O-N 3.23Å; K787-K790 WeakPolarHBondContact O-CB 3.49Å; K787-K790 PolarHBondContact O-N 3.46Å; K790-E792 VanDerWaalsContact C-N 3.35Å; K790-E792 PolarHBondContact O-N 3.17Å; K790-F793 PolarHBondContact O-N 2.83Å; K790-D794 PolarHBondContact O-N 3.37Å; K790-L815 HydrophobicContact CB-CD1 3.7Å; K790-L815 HydrophobicContact CG-CD1 4.12Å
791	S	91	Very high	90.5	Very high	64 Å²	64	45.1 Å²	45.1	45%	0.448	25%	0.247	S	C	.	.	H	α-helix	trans	-59.9	-42.6	177.7	-61.3	0	0	0	0	112.3	K787 A788 F793 D794 E795	K787-S791 PolarHBondContact O-N 3.42Å; K787-S791 PolarHBondContact O-OG 3.38Å; A788-S791 PolarHBondContact O-N 2.88Å; S791-F793 VanDerWaalsContact C-N 3.31Å; S791-F793 PolarHBondContact O-N 3.34Å; S791-D794 PolarHBondContact O-N 3.2Å; S791-E795 WeakPolarHBondContact O-CG 3.38Å; S791-E795 PolarHBondContact O-N 3.45Å
792	E	91.3	Very high	90.5	Very high	36 Å²	36	51.5 Å²	51.5	17%	0.168	28%	0.276	C	S	.	.	H	α-helix	trans	-62.3	-38.8	178.1	-165.9	179.5	166.8	0	0	112.1	A788 L789 K790 E795 S796 A800 R803	A788-E792 PolarHBondContact O-N 3.34Å; A788-E792 VanDerWaalsContact O-N 3.07Å; L789-E792 PolarHBondContact O-N 3.14Å; K790-E792 VanDerWaalsContact C-N 3.35Å; K790-E792 PolarHBondContact O-N 3.17Å; E792-E795 PolarHBondContact O-N 2.94Å; E792-S796 CarbonylContact O-C 3.52Å; E792-S796 PolarHBondContact O-N 3.25Å; E792-A800 HydrophobicContact CB-CB 4.26Å; E792-A800 HydrophobicContact CG-CB 3.87Å; E792-R803 VanDerWaalsContact OE1-CD 3.24Å; E792-R803 WeakPolarHBondContact OE1-CD 3.35Å; E792-R803 WeakPolarHBondContact OE2-CD 3.37Å; E792-R803 IonicContact OE2-CZ 3.61Å; E792-R803 IonicContact OE2-NE 2.75Å; E792-R803 IonicContact OE2-NH1 2.85Å; E792-R803 PolarHBondContact OE2-NH1 3.23Å
793	F	91.4	Very high	90.5	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.018	30%	0.297	C	S	.	.	H	α-helix	trans	-69.3	-38.1	174.6	-90.9	-71.1	0	0	0	113.2	L725 F726 F758 L789 K790 S791 E795 C797 A800 I801 L804 L815	L725-F793 HydrophobicContact CD2-CB 3.9Å; L725-F793 HydrophobicContact CD2-CD1 4.29Å; L725-F793 HydrophobicContact CD2-CG 4.38Å; F726-F793 HydrophobicContact CE2-CB 3.96Å; F758-F793 AromaticContact CD2-CD1 3.55Å; F758-F793 HydrophobicContact CD2-CD1 3.55Å; F758-F793 HydrophobicContact CD2-CD2 4.07Å; F758-F793 AromaticContact CD2-CE1 3.58Å; F758-F793 HydrophobicContact CD2-CE1 3.58Å; F758-F793 HydrophobicContact CD2-CE2 4.12Å; F758-F793 AromaticContact CD2-CG 3.81Å; F758-F793 HydrophobicContact CD2-CG 3.81Å; F758-F793 AromaticContact CD2-CZ 3.88Å; F758-F793 HydrophobicContact CD2-CZ 3.88Å; F758-F793 HydrophobicContact CE2-CD1 4.19Å; F758-F793 AromaticContact CE2-CD2 3.86Å; F758-F793 HydrophobicContact CE2-CD2 3.86Å; F758-F793 HydrophobicContact CE2-CE1 4.21Å; F758-F793 AromaticContact CE2-CE2 3.9Å; F758-F793 HydrophobicContact CE2-CE2 3.9Å; F758-F793 HydrophobicContact CE2-CG 4.02Å; F758-F793 HydrophobicContact CE2-CZ 4.08Å; L789-F793 HydrophobicContact CD1-CD2 3.96Å; L789-F793 HydrophobicContact CD1-CE2 3.73Å; L789-F793 HydrophobicContact CD2-CE2 4.12Å; L789-F793 HydrophobicContact CG-CD2 3.83Å; L789-F793 HydrophobicContact CG-CE2 3.78Å; L789-F793 VanDerWaalsContact O-CD2 3.31Å; L789-F793 WeakPolarHBondContact O-CD2 3.34Å; L789-F793 PolarHBondContact O-N 3.02Å; K790-F793 PolarHBondContact O-N 2.83Å; S791-F793 VanDerWaalsContact C-N 3.31Å; S791-F793 PolarHBondContact O-N 3.34Å; F793-E795 VanDerWaalsContact C-N 3.32Å; F793-C797 HydrophobicContact CD1-CB 4.47Å; F793-C797 PolarHBondContact O-N 2.81Å; F793-A800 HydrophobicContact CB-CB 4.26Å; F793-A800 HydrophobicContact CD1-CB 3.5Å; F793-A800 HydrophobicContact CD2-CB 3.75Å; F793-A800 HydrophobicContact CE1-CB 3.64Å; F793-A800 HydrophobicContact CE2-CB 3.87Å; F793-A800 HydrophobicContact CG-CB 3.56Å; F793-A800 HydrophobicContact CZ-CB 3.81Å; F793-I801 HydrophobicContact CE1-CG1 3.83Å; F793-I801 HydrophobicContact CZ-CG1 4.34Å; F793-L804 HydrophobicContact CE2-CD2 3.83Å; F793-L804 HydrophobicContact CE2-CG 4.48Å; F793-L804 HydrophobicContact CZ-CD1 4.08Å; F793-L804 HydrophobicContact CZ-CD2 3.78Å; F793-L804 HydrophobicContact CZ-CG 4Å; F793-L815 HydrophobicContact CD2-CD2 3.87Å; F793-L815 HydrophobicContact CE2-CD2 4.18Å
794	D	86.9	Confident	90.5	Very high	27 Å²	27	56.6 Å²	56.6	14%	0.144	29%	0.293	C	S	.	.	H	α-helix	trans	-66.9	-31.9	173.3	-85.3	-33.6	0	0	0	111.9	N724 L725 F726 K790 S791	N724-D794 VanDerWaalsContact CB-O 3.25Å; N724-D794 WeakPolarHBondContact CB-O 3.25Å; N724-D794 PolarHBondContact N-OD1 3.47Å; N724-D794 PolarHBondContact ND2-O 3.44Å; L725-D794 WeakPolarHBondContact CA-OD1 3.45Å; L725-D794 WeakPolarHBondContact CB-OD1 3.43Å; L725-D794 PolarHBondContact N-OD1 3.19Å; F726-D794 WeakPolarHBondContact CD2-OD1 3.08Å; F726-D794 PolarHBondContact N-OD1 3.2Å; K790-D794 PolarHBondContact O-N 3.37Å; S791-D794 PolarHBondContact O-N 3.2Å
795	E	87.3	Confident	90.6	Very high	161 Å²	161	56.2 Å²	56.2	75%	0.752	30%	0.295	S	S	*	.	H	α-helix	trans	-76.8	-53	175.9	-74.8	176.5	-169.1	0	0	112.3	S791 E792 F793	S791-E795 WeakPolarHBondContact O-CG 3.38Å; S791-E795 PolarHBondContact O-N 3.45Å; E792-E795 PolarHBondContact O-N 2.94Å; F793-E795 VanDerWaalsContact C-N 3.32Å
796	S	87.8	Confident	90.6	Very high	41 Å²	41	60.4 Å²	60.4	29%	0.287	32%	0.316	S	S	.	.			trans	-154.5	99.1	-179	-179	0	0	0	0	111.5	E792 T798 L799 A800	E792-S796 CarbonylContact O-C 3.52Å; E792-S796 PolarHBondContact O-N 3.25Å; S796-T798 PolarHBondContact O-N 3.34Å; S796-T798 VanDerWaalsContact O-N 3.11Å; S796-L799 PolarHBondContact O-N 3.22Å; S796-L799 VanDerWaalsContact O-N 3.09Å; S796-L799 WeakPolarHBondContact OG-CG 3.14Å; S796-L799 PolarHBondContact OG-N 3.16Å; S796-A800 PolarHBondContact O-N 3.17Å
797	C	86.9	Confident	90.6	Very high	33 Å²	33	61.2 Å²	61.2	22%	0.223	32%	0.321	C	S	.	.	H	α-helix	trans	-51.4	-37.6	174.8	-174.8	0	0	0	0	112.4	F793 I801	F793-C797 HydrophobicContact CD1-CB 4.47Å; F793-C797 PolarHBondContact O-N 2.81Å; C797-I801 WeakPolarHBondContact O-CB 3.24Å; C797-I801 WeakPolarHBondContact O-CD1 2.93Å; C797-I801 WeakPolarHBondContact O-CG1 3.35Å; C797-I801 PolarHBondContact O-N 3.21Å; C797-I801 VanDerWaalsContact O-N 3.07Å
798	T	86.7	Confident	90.6	Very high	61 Å²	61	58.9 Å²	58.9	37%	0.374	31%	0.313	S	S	.	.	H	α-helix	trans	-66.7	-42.3	-179.9	-58	0	0	0	0	113	R757 S796 Q802	R757-T798 PolarHBondContact NH1-OG1 3.16Å; S796-T798 PolarHBondContact O-N 3.34Å; S796-T798 VanDerWaalsContact O-N 3.11Å; T798-Q802 PolarHBondContact O-N 3.28Å
799	L	89.1	Confident	90.7	Very high	99 Å²	99	57.3 Å²	57.3	52%	0.518	30%	0.297	S	S	.	.	H	α-helix	trans	-72.5	-43.4	-179.9	-65.8	176.3	0	0	0	110.9	S796 I801 Q802 R803	S796-L799 PolarHBondContact O-N 3.22Å; S796-L799 VanDerWaalsContact O-N 3.09Å; S796-L799 WeakPolarHBondContact OG-CG 3.14Å; S796-L799 PolarHBondContact OG-N 3.16Å; L799-I801 VanDerWaalsContact C-N 3.28Å; L799-I801 PolarHBondContact O-N 3.29Å; L799-Q802 WeakPolarHBondContact O-CB 3.28Å; L799-Q802 PolarHBondContact O-N 2.93Å; L799-R803 PolarHBondContact O-N 3.03Å
800	A	90.4	Very high	90.7	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-57	-41.5	176.4	0	0	0	0	0	112.2	E792 F793 S796 Q802 R803 L804	E792-A800 HydrophobicContact CB-CB 4.26Å; E792-A800 HydrophobicContact CG-CB 3.87Å; F793-A800 HydrophobicContact CB-CB 4.26Å; F793-A800 HydrophobicContact CD1-CB 3.5Å; F793-A800 HydrophobicContact CD2-CB 3.75Å; F793-A800 HydrophobicContact CE1-CB 3.64Å; F793-A800 HydrophobicContact CE2-CB 3.87Å; F793-A800 HydrophobicContact CG-CB 3.56Å; F793-A800 HydrophobicContact CZ-CB 3.81Å; S796-A800 PolarHBondContact O-N 3.17Å; A800-Q802 VanDerWaalsContact C-N 3.32Å; A800-Q802 PolarHBondContact O-N 3.19Å; A800-R803 PolarHBondContact O-N 3.32Å; A800-R803 VanDerWaalsContact O-N 3.1Å; A800-L804 PolarHBondContact O-N 2.86Å; A800-L804 VanDerWaalsContact O-N 3.16Å
801	I	92	Very high	90.8	Very high	38 Å²	38	57.3 Å²	57.3	20%	0.195	30%	0.301	C	S	.	.	H	α-helix	trans	-59.7	-40.7	176.2	-71.4	168.6	0	0	0	111.8	R757 A761 F793 C797 L799 R803 L804	R757-I801 HydrophobicContact CG-CD1 3.81Å; A761-I801 HydrophobicContact CB-CB 4.41Å; A761-I801 HydrophobicContact CB-CD1 3.74Å; A761-I801 HydrophobicContact CB-CG1 3.55Å; A761-I801 HydrophobicContact CB-CG2 4.05Å; F793-I801 HydrophobicContact CE1-CG1 3.83Å; F793-I801 HydrophobicContact CZ-CG1 4.34Å; C797-I801 WeakPolarHBondContact O-CB 3.24Å; C797-I801 WeakPolarHBondContact O-CD1 2.93Å; C797-I801 WeakPolarHBondContact O-CG1 3.35Å; C797-I801 PolarHBondContact O-N 3.21Å; C797-I801 VanDerWaalsContact O-N 3.07Å; L799-I801 VanDerWaalsContact C-N 3.28Å; L799-I801 PolarHBondContact O-N 3.29Å; I801-R803 PolarHBondContact O-N 3.05Å; I801-L804 WeakPolarHBondContact O-CB 3.47Å; I801-L804 PolarHBondContact O-N 2.68Å
802	Q	90.8	Very high	91	Very high	139 Å²	139	54.2 Å²	54.2	65%	0.65	28%	0.279	S	S	*	.	H	α-helix	trans	-65.9	-26.1	178.8	-67.8	175.2	-6.2	0	0	112.4	T798 L799 A800 P805	T798-Q802 PolarHBondContact O-N 3.28Å; L799-Q802 WeakPolarHBondContact O-CB 3.28Å; L799-Q802 PolarHBondContact O-N 2.93Å; A800-Q802 VanDerWaalsContact C-N 3.32Å; A800-Q802 PolarHBondContact O-N 3.19Å; Q802-P805 WeakPolarHBondContact O-CD 3.33Å
803	R	91.8	Very high	91.3	Very high	122 Å²	122	52.7 Å²	52.7	46%	0.46	27%	0.272	S	S	.	.	H	α-helix	trans	-85.8	-21.7	179.5	-162.6	-174.9	176.7	-169.2	-0.1	113.4	E792 L799 A800 I801 P805 L806 V807	E792-R803 VanDerWaalsContact OE1-CD 3.24Å; E792-R803 WeakPolarHBondContact OE1-CD 3.35Å; E792-R803 WeakPolarHBondContact OE2-CD 3.37Å; E792-R803 IonicContact OE2-CZ 3.61Å; E792-R803 IonicContact OE2-NE 2.75Å; E792-R803 IonicContact OE2-NH1 2.85Å; E792-R803 PolarHBondContact OE2-NH1 3.23Å; L799-R803 PolarHBondContact O-N 3.03Å; A800-R803 PolarHBondContact O-N 3.32Å; A800-R803 VanDerWaalsContact O-N 3.1Å; I801-R803 PolarHBondContact O-N 3.05Å; R803-P805 VanDerWaalsContact C-N 3.27Å; R803-L806 WeakPolarHBondContact O-CB 3.32Å; R803-L806 PolarHBondContact O-N 3.3Å; R803-V807 HydrophobicContact CG-CG2 4.43Å
804	L	92.9	Very high	91.3	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.016	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-45.1	-40.8	-178.5	-75.7	-179.5	0	0	0	114.8	A761 E765 R769 L789 F793 A800 I801 L806 V807 I812	A761-L804 HydrophobicContact CB-CD1 3.87Å; E765-L804 HydrophobicContact CB-CB 4.46Å; E765-L804 HydrophobicContact CB-CD1 4.38Å; E765-L804 HydrophobicContact CG-CB 4.1Å; R769-L804 PolarHBondContact NH2-O 2.81Å; L789-L804 HydrophobicContact CD2-CD2 4.2Å; F793-L804 HydrophobicContact CE2-CD2 3.83Å; F793-L804 HydrophobicContact CE2-CG 4.48Å; F793-L804 HydrophobicContact CZ-CD1 4.08Å; F793-L804 HydrophobicContact CZ-CD2 3.78Å; F793-L804 HydrophobicContact CZ-CG 4Å; A800-L804 PolarHBondContact O-N 2.86Å; A800-L804 VanDerWaalsContact O-N 3.16Å; I801-L804 WeakPolarHBondContact O-CB 3.47Å; I801-L804 PolarHBondContact O-N 2.68Å; L804-L806 PolarHBondContact O-N 3.28Å; L804-L806 VanDerWaalsContact O-N 3.16Å; L804-V807 PolarHBondContact O-N 2.97Å; L804-V807 VanDerWaalsContact O-N 3.12Å; L804-I812 HydrophobicContact CB-CD1 4.42Å; L804-I812 HydrophobicContact CD2-CD1 3.91Å; L804-I812 HydrophobicContact CD2-CG1 4.05Å; L804-I812 HydrophobicContact CD2-CG2 4.37Å
805	P	92.9	Very high	91.7	Very high	63 Å²	63	51.6 Å²	51.6	41%	0.409	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-61.1	-22	176.9	-25.7	36.9	0	0	0	115.5	E765 Q802 R803	E765-P805 WeakPolarHBondContact OE1-CA 3.45Å; Q802-P805 WeakPolarHBondContact O-CD 3.33Å; R803-P805 VanDerWaalsContact C-N 3.27Å
806	L	91.6	Very high	92.1	Very high	149 Å²	149	44 Å²	44	78%	0.78	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-92.9	-10.3	179.9	-56.2	177.8	0	0	0	112.9	R803 L804	R803-L806 WeakPolarHBondContact O-CB 3.32Å; R803-L806 PolarHBondContact O-N 3.3Å; L804-L806 PolarHBondContact O-N 3.28Å; L804-L806 VanDerWaalsContact O-N 3.16Å
807	V	92.3	Very high	92.3	Very high	19 Å²	19	42.6 Å²	42.6	12%	0.115	22%	0.22	C	C	.	.	S	Bend	trans	-90.3	149	-177.6	-176.7	0	0	0	0	110.5	R769 L789 R803 L804 V811 I812	R769-V807 PolarHBondContact NH1-O 3.16Å; R769-V807 PolarHBondContact NH2-O 2.74Å; L789-V807 HydrophobicContact CD1-CG2 4.21Å; L789-V807 HydrophobicContact CD2-CG1 4.12Å; R803-V807 HydrophobicContact CG-CG2 4.43Å; L804-V807 PolarHBondContact O-N 2.97Å; L804-V807 VanDerWaalsContact O-N 3.12Å; V807-V811 HydrophobicContact CG1-CB 3.81Å; V807-V811 HydrophobicContact CG1-CG1 3.75Å; V807-I812 HydrophobicContact CB-CD1 4.43Å; V807-I812 HydrophobicContact CB-CG1 4.31Å; V807-I812 HydrophobicContact CG1-CG1 4.18Å
808	E	91.3	Very high	92.4	Very high	85 Å²	85	42.3 Å²	42.3	40%	0.397	22%	0.216	S	C	.	.			trans	-65.5	138.4	176.2	-61.3	176.6	125.9	0	0	111.3	N785 V811 I812	N785-E808 PolarHBondContact ND2-OE2 3.04Å; E808-V811 HydrophobicContact CB-CG2 4.17Å; E808-V811 WeakPolarHBondContact O-CB 3.36Å; E808-V811 PolarHBondContact O-N 2.8Å; E808-V811 VanDerWaalsContact O-N 3.11Å; E808-I812 PolarHBondContact O-N 3.16Å
809	L	94	Very high	92.7	Very high	20 Å²	20	39.5 Å²	39.5	11%	0.105	20%	0.199	C	C	.	.	H	α-helix	trans	-54.6	-46.2	-179.1	-89.2	168.7	0	0	0	113.6	I766 R769 G770 V773 V811 I812 T813	I766-L809 HydrophobicContact CG1-CD2 4.24Å; R769-L809 HydrophobicContact CG-CD1 4.18Å; R769-L809 HydrophobicContact CG-CD2 4.09Å; R769-L809 HydrophobicContact CG-CG 4.31Å; G770-L809 VanDerWaalsContact CA-CD1 3.47Å; V773-L809 HydrophobicContact CB-CD1 4.49Å; V773-L809 HydrophobicContact CG2-CD1 3.66Å; L809-V811 PolarHBondContact O-N 2.93Å; L809-I812 PolarHBondContact O-N 3.43Å; L809-T813 PolarHBondContact O-N 2.91Å; L809-T813 PolarHBondContact O-OG1 3.08Å
810	P	93.3	Very high	92.8	Very high	39 Å²	39	34.9 Å²	34.9	25%	0.253	17%	0.174	S	C	.	.	H	α-helix	trans	-55.4	-34.2	178.1	-29.4	37.6	0	0	0	113.7	V779 G781 T813 S814	V779-P810 HydrophobicContact CG1-CB 4.32Å; V779-P810 HydrophobicContact CG1-CG 4.14Å; G781-P810 PolarHBondContact N-O 2.64Å; P810-T813 VanDerWaalsContact CA-OG1 3.25Å; P810-T813 WeakPolarHBondContact CA-OG1 3.4Å; P810-T813 PolarHBondContact O-OG1 3.14Å; P810-S814 VanDerWaalsContact O-CB 3.24Å; P810-S814 WeakPolarHBondContact O-CB 3.41Å; P810-S814 PolarHBondContact O-N 3.31Å; P810-S814 PolarHBondContact O-OG 3.49Å; P810-S814 VanDerWaalsContact O-OG 3.08Å
811	V	94.7	Very high	92.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.6	-44.8	177.2	176.3	0	0	0	0	110.5	N785 I786 L789 V807 E808 L809 S814 L815	N785-V811 HydrophobicContact CB-CG1 4.01Å; N785-V811 HydrophobicContact CB-CG2 3.66Å; I786-V811 HydrophobicContact CG1-CB 4.47Å; I786-V811 HydrophobicContact CG1-CG1 3.94Å; L789-V811 HydrophobicContact CB-CG1 4.48Å; L789-V811 HydrophobicContact CD2-CG1 4.13Å; V807-V811 HydrophobicContact CG1-CB 3.81Å; V807-V811 HydrophobicContact CG1-CG1 3.75Å; E808-V811 HydrophobicContact CB-CG2 4.17Å; E808-V811 WeakPolarHBondContact O-CB 3.36Å; E808-V811 PolarHBondContact O-N 2.8Å; E808-V811 VanDerWaalsContact O-N 3.11Å; L809-V811 PolarHBondContact O-N 2.93Å; V811-S814 PolarHBondContact O-N 3.41Å; V811-L815 VanDerWaalsContact O-CB 3.27Å; V811-L815 WeakPolarHBondContact O-CB 3.45Å; V811-L815 PolarHBondContact O-N 3.49Å
812	I	96.5	Very high	92.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.9	-45.7	177.5	-55.3	178.7	0	0	0	110.5	C762 E765 I766 L789 L804 V807 E808 L809 S814 L815 L816	C762-I812 HydrophobicContact CB-CG2 3.88Å; E765-I812 HydrophobicContact CG-CD1 3.75Å; I766-I812 HydrophobicContact CD1-CG2 3.99Å; I766-I812 HydrophobicContact CG1-CG2 3.99Å; L789-I812 HydrophobicContact CD2-CG1 4.47Å; L804-I812 HydrophobicContact CB-CD1 4.42Å; L804-I812 HydrophobicContact CD2-CD1 3.91Å; L804-I812 HydrophobicContact CD2-CG1 4.05Å; L804-I812 HydrophobicContact CD2-CG2 4.37Å; V807-I812 HydrophobicContact CB-CD1 4.43Å; V807-I812 HydrophobicContact CB-CG1 4.31Å; V807-I812 HydrophobicContact CG1-CG1 4.18Å; E808-I812 PolarHBondContact O-N 3.16Å; L809-I812 PolarHBondContact O-N 3.43Å; I812-S814 PolarHBondContact O-N 3.01Å; I812-L815 PolarHBondContact O-N 3.05Å; I812-L816 WeakPolarHBondContact O-CB 3.31Å; I812-L816 PolarHBondContact O-N 3.04Å
813	T	95.8	Very high	91.9	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.018	14%	0.14	C	C	.	.	H	α-helix	trans	-63.6	-41.2	179	53.2	0	0	0	0	111.7	I766 I776 Y777 L809 P810 K817	I766-T813 HydrophobicContact CD1-CG2 3.81Å; I766-T813 HydrophobicContact CG1-CG2 4.07Å; I776-T813 HydrophobicContact CG1-CG2 4.19Å; Y777-T813 HydrophobicContact CD1-CG2 3.85Å; Y777-T813 HydrophobicContact CE1-CG2 3.66Å; Y777-T813 HydrophobicContact CG-CG2 4.45Å; L809-T813 PolarHBondContact O-N 2.91Å; L809-T813 PolarHBondContact O-OG1 3.08Å; P810-T813 VanDerWaalsContact CA-OG1 3.25Å; P810-T813 WeakPolarHBondContact CA-OG1 3.4Å; P810-T813 PolarHBondContact O-OG1 3.14Å; T813-K817 WeakPolarHBondContact O-CG 3.08Å; T813-K817 PolarHBondContact O-N 3.48Å; T813-K817 VanDerWaalsContact O-N 3.13Å
814	S	93.2	Very high	91.5	Very high	9 Å²	9	24 Å²	24	6%	0.063	13%	0.132	C	C	.	.	H	α-helix	trans	-67.4	-42.7	176.2	-73.2	0	0	0	0	112	G781 I786 P810 V811 I812 L816 K817 Q818	G781-S814 PolarHBondContact N-OG 2.82Å; G781-S814 VanDerWaalsContact N-OG 3.16Å; I786-S814 VanDerWaalsContact CD1-CB 3.41Å; P810-S814 VanDerWaalsContact O-CB 3.24Å; P810-S814 WeakPolarHBondContact O-CB 3.41Å; P810-S814 PolarHBondContact O-N 3.31Å; P810-S814 PolarHBondContact O-OG 3.49Å; P810-S814 VanDerWaalsContact O-OG 3.08Å; V811-S814 PolarHBondContact O-N 3.41Å; I812-S814 PolarHBondContact O-N 3.01Å; S814-L816 VanDerWaalsContact C-N 3.34Å; S814-L816 PolarHBondContact O-N 2.73Å; S814-K817 PolarHBondContact O-N 2.77Å; S814-Q818 WeakPolarHBondContact O-CB 3.25Å; S814-Q818 WeakPolarHBondContact O-CG 2.98Å; S814-Q818 PolarHBondContact O-N 2.99Å
815	L	94	Very high	91.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.9	-39.3	178.4	-173.6	65.7	0	0	0	111.7	F726 F758 I786 L789 K790 F793 V811 I812 Q818 F819	F726-L815 HydrophobicContact CE1-CD1 3.76Å; F726-L815 HydrophobicContact CE1-CG 4.22Å; F726-L815 HydrophobicContact CE2-CD1 4.47Å; F726-L815 HydrophobicContact CZ-CD1 3.54Å; F726-L815 HydrophobicContact CZ-CD2 4.14Å; F726-L815 HydrophobicContact CZ-CG 3.82Å; F758-L815 HydrophobicContact CE2-CD2 3.97Å; F758-L815 HydrophobicContact CE2-CG 4.23Å; F758-L815 HydrophobicContact CZ-CD2 4.25Å; F758-L815 HydrophobicContact CZ-CG 4.01Å; I786-L815 HydrophobicContact CG2-CB 4.36Å; I786-L815 HydrophobicContact CG2-CD1 3.86Å; L789-L815 HydrophobicContact CB-CD2 4.01Å; L789-L815 HydrophobicContact CD2-CD2 3.52Å; L789-L815 HydrophobicContact CG-CD2 3.54Å; K790-L815 HydrophobicContact CB-CD1 3.7Å; K790-L815 HydrophobicContact CG-CD1 4.12Å; F793-L815 HydrophobicContact CD2-CD2 3.87Å; F793-L815 HydrophobicContact CE2-CD2 4.18Å; V811-L815 VanDerWaalsContact O-CB 3.27Å; V811-L815 WeakPolarHBondContact O-CB 3.45Å; V811-L815 PolarHBondContact O-N 3.49Å; I812-L815 PolarHBondContact O-N 3.05Å; L815-Q818 PolarHBondContact O-N 3.37Å; L815-F819 PolarHBondContact O-N 3.46Å
816	L	95.9	Very high	90.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.2	-44.7	174.7	-177.5	64.1	0	0	0	111.5	F758 V759 C762 V763 I766 Y777 I812 S814 Q818 F819 F820 W895	F758-L816 HydrophobicContact CE1-CD1 3.9Å; V759-L816 HydrophobicContact CG1-CD1 4.36Å; V759-L816 HydrophobicContact CG2-CD1 4.35Å; C762-L816 HydrophobicContact CB-CB 4.4Å; C762-L816 HydrophobicContact CB-CD1 4.07Å; C762-L816 HydrophobicContact CB-CD2 4.38Å; V763-L816 HydrophobicContact CG2-CD2 4Å; I766-L816 HydrophobicContact CD1-CD2 3.99Å; Y777-L816 HydrophobicContact CE1-CD2 4.42Å; I812-L816 WeakPolarHBondContact O-CB 3.31Å; I812-L816 PolarHBondContact O-N 3.04Å; S814-L816 VanDerWaalsContact C-N 3.34Å; S814-L816 PolarHBondContact O-N 2.73Å; L816-Q818 VanDerWaalsContact C-N 3.35Å; L816-F819 WeakPolarHBondContact O-CB 3.48Å; L816-F819 PolarHBondContact O-N 3.2Å; L816-F820 HydrophobicContact CD1-CE2 3.88Å; L816-F820 HydrophobicContact CG-CE2 4.23Å; L816-F820 VanDerWaalsContact O-CD2 3.26Å; L816-F820 WeakPolarHBondContact O-CD2 3.18Å; L816-W895 HydrophobicContact CD2-CH2 3.98Å; L816-W895 HydrophobicContact CD2-CZ2 4.39Å; L816-W895 HydrophobicContact CG-CH2 4.02Å
817	K	92.5	Very high	90.9	Very high	12 Å²	12	18.1 Å²	18.1	5%	0.052	10%	0.095	C	C	.	.	H	α-helix	trans	-60.8	-45.2	173.5	-70.6	-174.6	-60.8	179	0	111.2	Y777 T813 S814 F819 F820 Q821 I894 W895 T898	Y777-K817 HydrophobicContact CD1-CD 4.43Å; Y777-K817 HydrophobicContact CD1-CG 4.46Å; Y777-K817 PolarHBondContact O-NZ 3.34Å; T813-K817 WeakPolarHBondContact O-CG 3.08Å; T813-K817 PolarHBondContact O-N 3.48Å; T813-K817 VanDerWaalsContact O-N 3.13Å; S814-K817 PolarHBondContact O-N 2.77Å; K817-F819 VanDerWaalsContact C-N 3.31Å; K817-F819 PolarHBondContact O-N 3.28Å; K817-F820 PolarHBondContact O-N 3.02Å; K817-Q821 WeakPolarHBondContact O-CG 3.5Å; K817-Q821 PolarHBondContact O-N 2.85Å; K817-Q821 VanDerWaalsContact O-N 3.12Å; K817-I894 HydrophobicContact CD-CG2 3.76Å; K817-W895 HydrophobicContact CG-CH2 4.06Å; K817-W895 HydrophobicContact CG-CZ2 4.21Å; K817-W895 HydrophobicContact CG-CZ3 4.25Å; K817-T898 HydrophobicContact CB-CG2 4.25Å; K817-T898 WeakPolarHBondContact O-CG2 3.41Å
818	Q	88.8	Confident	90.9	Very high	28 Å²	28	17.2 Å²	17.2	13%	0.131	9%	0.089	C	C	.	.	H	α-helix	trans	-60	-39.6	177.1	-78.9	-170.9	16.6	0	0	112.1	S814 L815 L816 F820 Q821 H822	S814-Q818 WeakPolarHBondContact O-CB 3.25Å; S814-Q818 WeakPolarHBondContact O-CG 2.98Å; S814-Q818 PolarHBondContact O-N 2.99Å; L815-Q818 PolarHBondContact O-N 3.37Å; L816-Q818 VanDerWaalsContact C-N 3.35Å; Q818-F820 VanDerWaalsContact C-N 3.32Å; Q818-F820 PolarHBondContact O-N 2.99Å; Q818-Q821 PolarHBondContact O-N 3.39Å; Q818-Q821 VanDerWaalsContact O-N 3.15Å; Q818-H822 PolarHBondContact O-N 3.18Å; Q818-H822 PolarHBondContact O-ND1 2.83Å
819	F	92.1	Very high	90.9	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.009	8%	0.079	C	C	.	.	H	α-helix	trans	-53.3	-49.4	177.2	170.5	-99	0	0	0	111.9	L725 F726 L730 L733 P756 F758 V759 L815 L816 K817 H822 L823	L725-F819 HydrophobicContact CD1-CE2 4.07Å; L725-F819 HydrophobicContact CG-CE2 4.25Å; F726-F819 HydrophobicContact CD1-CB 4.28Å; F726-F819 HydrophobicContact CD1-CD2 4.19Å; F726-F819 HydrophobicContact CE1-CB 3.78Å; F726-F819 HydrophobicContact CE1-CD2 4.15Å; F726-F819 HydrophobicContact CE1-CG 4.49Å; L730-F819 HydrophobicContact CD1-CE1 4.35Å; L730-F819 HydrophobicContact CD1-CZ 4.23Å; L733-F819 HydrophobicContact CD1-CE2 3.59Å; L733-F819 HydrophobicContact CD1-CZ 3.58Å; P756-F819 HydrophobicContact CB-CZ 4.34Å; P756-F819 HydrophobicContact CG-CZ 4.11Å; F758-F819 HydrophobicContact CD1-CB 4.14Å; F758-F819 HydrophobicContact CD1-CD1 4.1Å; F758-F819 AromaticContact CD1-CD2 3.79Å; F758-F819 HydrophobicContact CD1-CD2 3.79Å; F758-F819 HydrophobicContact CD1-CE1 4.49Å; F758-F819 HydrophobicContact CD1-CE2 4.21Å; F758-F819 AromaticContact CD1-CG 3.72Å; F758-F819 HydrophobicContact CD1-CG 3.72Å; F758-F819 HydrophobicContact CE1-CB 3.36Å; F758-F819 HydrophobicContact CE1-CD1 4.03Å; F758-F819 AromaticContact CE1-CD2 3.87Å; F758-F819 HydrophobicContact CE1-CD2 3.87Å; F758-F819 AromaticContact CE1-CG 3.47Å; F758-F819 HydrophobicContact CE1-CG 3.47Å; F758-F819 VanDerWaalsContact CE1-CG 3.47Å; F758-F819 HydrophobicContact CZ-CB 4.04Å; F758-F819 HydrophobicContact CZ-CG 4.5Å; V759-F819 HydrophobicContact CG2-CD1 3.87Å; V759-F819 HydrophobicContact CG2-CE1 3.52Å; V759-F819 HydrophobicContact CG2-CZ 4.26Å; L815-F819 PolarHBondContact O-N 3.46Å; L816-F819 WeakPolarHBondContact O-CB 3.48Å; L816-F819 PolarHBondContact O-N 3.2Å; K817-F819 VanDerWaalsContact C-N 3.31Å; K817-F819 PolarHBondContact O-N 3.28Å; F819-H822 PolarHBondContact O-N 3.37Å; F819-L823 HydrophobicContact CE1-CD2 4.32Å; F819-L823 HydrophobicContact CE2-CD2 4.47Å; F819-L823 HydrophobicContact CZ-CD2 4.06Å; F819-L823 PolarHBondContact O-N 3.48Å
820	F	92.2	Very high	90.5	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.009	9%	0.086	C	C	.	.	H	α-helix	trans	-67.1	-36.1	178	-70.6	-71.8	0	0	0	113	V759 L816 K817 Q818 H822 L823 L827 T866 L870 W895 T898 L899	V759-F820 HydrophobicContact CG1-CZ 4.17Å; V759-F820 HydrophobicContact CG2-CE2 4.48Å; V759-F820 HydrophobicContact CG2-CZ 3.99Å; L816-F820 HydrophobicContact CD1-CE2 3.88Å; L816-F820 HydrophobicContact CG-CE2 4.23Å; L816-F820 VanDerWaalsContact O-CD2 3.26Å; L816-F820 WeakPolarHBondContact O-CD2 3.18Å; K817-F820 PolarHBondContact O-N 3.02Å; Q818-F820 VanDerWaalsContact C-N 3.32Å; Q818-F820 PolarHBondContact O-N 2.99Å; F820-H822 VanDerWaalsContact C-N 3.33Å; F820-H822 PolarHBondContact O-N 3.46Å; F820-L823 HydrophobicContact CD1-CD1 3.9Å; F820-L823 PolarHBondContact O-N 3.49Å; F820-L827 HydrophobicContact CD1-CB 4.34Å; F820-L827 HydrophobicContact CD1-CD2 4.07Å; F820-L827 HydrophobicContact CE1-CD1 4.27Å; F820-L827 HydrophobicContact CE1-CD2 3.78Å; F820-T866 HydrophobicContact CE1-CG2 3.63Å; F820-T866 HydrophobicContact CZ-CG2 3.79Å; F820-L870 HydrophobicContact CD2-CD2 4.42Å; F820-L870 HydrophobicContact CE2-CD2 3.86Å; F820-L870 HydrophobicContact CZ-CD2 3.99Å; F820-W895 HydrophobicContact CD2-CH2 4.34Å; F820-W895 AromaticContact CD2-CZ3 3.77Å; F820-W895 HydrophobicContact CD2-CZ3 3.77Å; F820-W895 HydrophobicContact CE2-CH2 4.4Å; F820-W895 HydrophobicContact CE2-CZ3 4.11Å; F820-T898 HydrophobicContact CB-CG2 3.67Å; F820-L899 HydrophobicContact CB-CD2 4.15Å; F820-L899 HydrophobicContact CD1-CD2 3.98Å; F820-L899 HydrophobicContact CD2-CD2 4.21Å; F820-L899 HydrophobicContact CE1-CD2 4.46Å; F820-L899 HydrophobicContact CG-CD2 3.85Å
821	Q	84.2	Confident	90.4	Very high	15 Å²	15	19.5 Å²	19.5	7%	0.07	10%	0.104	C	C	.	.	H	α-helix	trans	-67.3	-30.1	176.3	-69.6	170.7	8.7	0	0	113.7	R718 K817 Q818 Y897 T898	R718-Q821 WeakPolarHBondContact CG-O 3.35Å; K817-Q821 WeakPolarHBondContact O-CG 3.5Å; K817-Q821 PolarHBondContact O-N 2.85Å; K817-Q821 VanDerWaalsContact O-N 3.12Å; Q818-Q821 PolarHBondContact O-N 3.39Å; Q818-Q821 VanDerWaalsContact O-N 3.15Å; Q821-Y897 VanDerWaalsContact NE2-CE2 3.32Å; Q821-T898 HydrophobicContact CG-CG2 4.18Å; Q821-T898 PolarHBondContact NE2-OG1 2.85Å
822	H	83.5	Confident	90.3	Very high	11 Å²	11	20.4 Å²	20.4	5%	0.051	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	2.5	178.5	-63.6	100.6	0	0	0	113	R717 G727 Q818 F819 F820	R717-H822 PolarHBondContact O-CD2 3.15Å; G727-H822 WeakPolarHBondContact CA-O 3.49Å; Q818-H822 PolarHBondContact O-N 3.18Å; Q818-H822 PolarHBondContact O-ND1 2.83Å; F819-H822 PolarHBondContact O-N 3.37Å; F820-H822 VanDerWaalsContact C-N 3.33Å; F820-H822 PolarHBondContact O-N 3.46Å
823	L	86.2	Confident	90	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.01	11%	0.109	C	C	.	.	S	Bend	trans	-63.7	135.1	172.1	-67.9	175.6	0	0	0	109	R718 L730 F819 F820 E825	R718-L823 WeakPolarHBondContact CG-O 3.33Å; L730-L823 HydrophobicContact CB-CD2 4.43Å; L730-L823 HydrophobicContact CD1-CD2 4.47Å; F819-L823 HydrophobicContact CE1-CD2 4.32Å; F819-L823 HydrophobicContact CE2-CD2 4.47Å; F819-L823 HydrophobicContact CZ-CD2 4.06Å; F819-L823 PolarHBondContact O-N 3.48Å; F820-L823 HydrophobicContact CD1-CD1 3.9Å; F820-L823 PolarHBondContact O-N 3.49Å; L823-E825 WeakPolarHBondContact CB-O 3.28Å; L823-E825 PolarHBondContact O-N 3.36Å
824	P	83.5	Confident	89.8	Confident	43 Å²	43	23.5 Å²	23.5	28%	0.279	13%	0.125	S	C	.	.	S	Bend	trans	-56.5	-37.7	177.9	-27.2	34.9	0	0	0	112.9	G727 R728	G727-P824 VanDerWaalsContact O-CG 3.28Å; G727-P824 WeakPolarHBondContact O-CG 3.46Å; R728-P824 WeakPolarHBondContact O-CD 3.38Å
825	E	83.9	Confident	89.8	Confident	88 Å²	88	24.5 Å²	24.5	41%	0.411	13%	0.134	S	C	.	.	S	Bend	trans	-115.2	133.1	171.6	-174.7	-176.9	175.4	0	0	107.5	L823	L823-E825 WeakPolarHBondContact CB-O 3.28Å; L823-E825 PolarHBondContact O-N 3.36Å
826	S	88.7	Confident	89.8	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.007	13%	0.134	C	C	.	.			trans	-61.3	155.7	176.6	38.8	0	0	0	0	111.4	I828 E901	S826-I828 WeakPolarHBondContact CB-O 3.48Å; S826-I828 PolarHBondContact O-N 3.39Å; S826-I828 PolarHBondContact OG-O 2.6Å; S826-E901 WeakPolarHBondContact OG-CA 3.37Å; S826-E901 VanDerWaalsContact OG-CB 3.3Å; S826-E901 WeakPolarHBondContact OG-CB 3.49Å; S826-E901 PolarHBondContact OG-N 3.42Å
827	L	92.4	Very high	89.6	Confident	1 Å²	1	26 Å²	26	1%	0.005	14%	0.142	C	C	.	.	S	Bend	trans	-57.4	-39.2	-179.4	-170.4	66.5	0	0	0	111.7	L730 F820 N863 T866 F867 L899	L730-L827 HydrophobicContact CD2-CD1 3.53Å; F820-L827 HydrophobicContact CD1-CB 4.34Å; F820-L827 HydrophobicContact CD1-CD2 4.07Å; F820-L827 HydrophobicContact CE1-CD1 4.27Å; F820-L827 HydrophobicContact CE1-CD2 3.78Å; L827-N863 HydrophobicContact CD1-CB 4.14Å; L827-N863 PolarHBondContact O-ND2 3.1Å; L827-N863 VanDerWaalsContact O-ND2 3.1Å; L827-T866 HydrophobicContact CD1-CG2 4.2Å; L827-F867 HydrophobicContact CD2-CB 3.84Å; L827-F867 HydrophobicContact CD2-CD2 4.14Å; L827-F867 HydrophobicContact CG-CB 4.25Å; L827-L899 HydrophobicContact CB-CD2 4.45Å; L827-L899 HydrophobicContact CD2-CD2 3.82Å; L827-L899 PolarHBondContact N-O 3.26Å
828	I	92.9	Very high	89.6	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-109.8	114.2	167.7	-50.3	-61.6	0	0	0	107.7	S826 T832 L836 L856 L859 F867 L899 F900 E901	S826-I828 WeakPolarHBondContact CB-O 3.48Å; S826-I828 PolarHBondContact O-N 3.39Å; S826-I828 PolarHBondContact OG-O 2.6Å; I828-T832 HydrophobicContact CG2-CG2 3.83Å; I828-L836 HydrophobicContact CG2-CD1 4.08Å; I828-L856 HydrophobicContact CD1-CD2 4.41Å; I828-L859 HydrophobicContact CD1-CD1 3.51Å; I828-L859 HydrophobicContact CD1-CD2 4.49Å; I828-F867 HydrophobicContact CD1-CD2 3.8Å; I828-F867 HydrophobicContact CD1-CE2 4.12Å; I828-F867 HydrophobicContact CD1-CG 4.1Å; I828-F867 HydrophobicContact CG1-CD2 4.18Å; I828-F867 HydrophobicContact CG1-CE2 4.28Å; I828-L899 PolarHBondContact N-O 2.88Å; I828-F900 HydrophobicContact CB-CD1 4.17Å; I828-F900 HydrophobicContact CB-CE1 4.44Å; I828-F900 HydrophobicContact CB-CG 4.34Å; I828-F900 HydrophobicContact CG1-CE1 4.49Å; I828-F900 HydrophobicContact CG1-CZ 4.45Å; I828-F900 HydrophobicContact CG2-CD1 3.93Å; I828-F900 HydrophobicContact CG2-CE1 4.04Å; I828-E901 PolarHBondContact O-N 3.38Å
829	D	90	Very high	89.8	Confident	33 Å²	33	30.6 Å²	30.6	18%	0.176	16%	0.164	C	C	.	.			trans	-70.7	169	-179.5	80.2	-36.8	0	0	0	111.9	T831 T832 T833	D829-T831 VanDerWaalsContact C-N 3.31Å; D829-T831 PolarHBondContact O-N 2.98Å; D829-T831 VanDerWaalsContact OD2-CB 3.27Å; D829-T831 WeakPolarHBondContact OD2-CB 3.47Å; D829-T831 PolarHBondContact OD2-N 2.87Å; D829-T831 PolarHBondContact OD2-OG1 3.48Å; D829-T832 PolarHBondContact O-N 3.31Å; D829-T832 WeakPolarHBondContact OD1-CA 3.42Å; D829-T832 WeakPolarHBondContact OD1-CB 3.25Å; D829-T832 PolarHBondContact OD1-N 3.17Å; D829-T832 PolarHBondContact OD1-OG1 3.24Å; D829-T833 VanDerWaalsContact O-CB 3.31Å; D829-T833 WeakPolarHBondContact O-CB 3.4Å; D829-T833 PolarHBondContact O-N 3.38Å; D829-T833 PolarHBondContact O-OG1 2.74Å
830	H	86.1	Confident	89.8	Confident	58 Å²	58	31.2 Å²	31.2	27%	0.269	17%	0.167	S	C	.	.	H	α-helix	trans	-57.8	-40.9	178.7	-177.9	-91.7	0	0	0	113.1	T833 I834 E901	H830-T833 WeakPolarHBondContact O-CB 3.31Å; H830-T833 PolarHBondContact O-N 3.46Å; H830-I834 WeakPolarHBondContact CE1-CD1 3.45Å; H830-I834 PolarHBondContact O-N 3.06Å; H830-E901 HydrophobicContact CB-CB 4.11Å; H830-E901 HydrophobicContact CB-CG 4Å; H830-E901 VanDerWaalsContact CB-OE2 3.22Å; H830-E901 WeakPolarHBondContact CB-OE2 3.28Å; H830-E901 PolarHBondContact N-OE2 3.49Å
831	T	90.4	Very high	89.8	Confident	102 Å²	102	36.5 Å²	36.5	63%	0.626	19%	0.192	S	C	*	.	H	α-helix	trans	-64.4	-48.5	-177.9	-44.7	0	0	0	0	110.8	D829 T833 I834 A835	D829-T831 VanDerWaalsContact C-N 3.31Å; D829-T831 PolarHBondContact O-N 2.98Å; D829-T831 VanDerWaalsContact OD2-CB 3.27Å; D829-T831 WeakPolarHBondContact OD2-CB 3.47Å; D829-T831 PolarHBondContact OD2-N 2.87Å; D829-T831 PolarHBondContact OD2-OG1 3.48Å; T831-T833 VanDerWaalsContact C-N 3.33Å; T831-T833 PolarHBondContact O-N 2.87Å; T831-I834 PolarHBondContact O-N 2.98Å; T831-A835 PolarHBondContact O-N 3.46Å; T831-A835 VanDerWaalsContact O-N 3.14Å
832	T	92.8	Very high	90.2	Very high	18 Å²	18	37.9 Å²	37.9	11%	0.11	20%	0.2	C	C	.	.	H	α-helix	trans	-65.4	-37.9	176.4	-54.5	0	0	0	0	111	I828 D829 I834 A835 L836 I855 L859	I828-T832 HydrophobicContact CG2-CG2 3.83Å; D829-T832 PolarHBondContact O-N 3.31Å; D829-T832 WeakPolarHBondContact OD1-CA 3.42Å; D829-T832 WeakPolarHBondContact OD1-CB 3.25Å; D829-T832 PolarHBondContact OD1-N 3.17Å; D829-T832 PolarHBondContact OD1-OG1 3.24Å; T832-I834 PolarHBondContact O-N 3.46Å; T832-A835 PolarHBondContact O-N 3.14Å; T832-L836 HydrophobicContact CG2-CD1 3.95Å; T832-L836 HydrophobicContact CG2-CG 4.18Å; T832-L836 WeakPolarHBondContact O-CB 3.47Å; T832-L836 VanDerWaalsContact O-CG 3.3Å; T832-L836 WeakPolarHBondContact O-CG 3.38Å; T832-L836 PolarHBondContact O-N 3.35Å; T832-I855 HydrophobicContact CG2-CG2 3.53Å; T832-L859 HydrophobicContact CG2-CD2 4.02Å; T832-L859 HydrophobicContact CG2-CG 4.29Å
833	T	90.9	Very high	90.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-56.9	-48.8	176.4	-63.2	0	0	0	0	111.6	D829 H830 T831 L836 L837 F900 F933 Q937	D829-T833 VanDerWaalsContact O-CB 3.31Å; D829-T833 WeakPolarHBondContact O-CB 3.4Å; D829-T833 PolarHBondContact O-N 3.38Å; D829-T833 PolarHBondContact O-OG1 2.74Å; H830-T833 WeakPolarHBondContact O-CB 3.31Å; H830-T833 PolarHBondContact O-N 3.46Å; T831-T833 VanDerWaalsContact C-N 3.33Å; T831-T833 PolarHBondContact O-N 2.87Å; T833-L836 PolarHBondContact O-N 3.19Å; T833-L837 HydrophobicContact CG2-CD1 4.05Å; T833-L837 VanDerWaalsContact O-CG 3.28Å; T833-L837 WeakPolarHBondContact O-CG 3.37Å; T833-L837 PolarHBondContact O-N 3.07Å; T833-F900 HydrophobicContact CG2-CD1 3.92Å; T833-F933 HydrophobicContact CG2-CZ 4.22Å; T833-Q937 HydrophobicContact CG2-CG 4.32Å
834	I	90.8	Very high	90.9	Very high	69 Å²	69	47.3 Å²	47.3	35%	0.354	26%	0.257	S	S	.	.	H	α-helix	trans	-63	-44.5	177.5	-68.6	177.9	0	0	0	111.2	H830 T831 T832 L836 L837 Q838	H830-I834 WeakPolarHBondContact CE1-CD1 3.45Å; H830-I834 PolarHBondContact O-N 3.06Å; T831-I834 PolarHBondContact O-N 2.98Å; T832-I834 PolarHBondContact O-N 3.46Å; I834-L836 VanDerWaalsContact C-N 3.34Å; I834-L836 PolarHBondContact O-N 2.96Å; I834-L837 WeakPolarHBondContact O-CB 3.36Å; I834-L837 PolarHBondContact O-N 3.31Å; I834-Q838 WeakPolarHBondContact O-CG 3.39Å; I834-Q838 PolarHBondContact O-N 3.02Å; I834-Q838 VanDerWaalsContact O-N 3.07Å
835	A	93.6	Very high	91.3	Very high	30 Å²	30	48.8 Å²	48.8	25%	0.248	26%	0.26	C	S	.	.	H	α-helix	trans	-60.8	-43.6	179	0	0	0	0	0	111.8	T831 T832 Q838 A839 I855	T831-A835 PolarHBondContact O-N 3.46Å; T831-A835 VanDerWaalsContact O-N 3.14Å; T832-A835 PolarHBondContact O-N 3.14Å; A835-Q838 PolarHBondContact O-N 2.98Å; A835-A839 WeakPolarHBondContact O-CB 3.35Å; A835-A839 PolarHBondContact O-N 3.15Å; A835-I855 HydrophobicContact CB-CD1 3.87Å; A835-I855 HydrophobicContact CB-CG1 4.14Å; A835-I855 HydrophobicContact CB-CG2 4.08Å
836	L	94.6	Very high	91.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-38.9	177.1	-71	172	0	0	0	112.4	I828 T832 T833 I834 Q838 A839 V840 I852 I855 L856 F900 V940 I944	I828-L836 HydrophobicContact CG2-CD1 4.08Å; T832-L836 HydrophobicContact CG2-CD1 3.95Å; T832-L836 HydrophobicContact CG2-CG 4.18Å; T832-L836 WeakPolarHBondContact O-CB 3.47Å; T832-L836 VanDerWaalsContact O-CG 3.3Å; T832-L836 WeakPolarHBondContact O-CG 3.38Å; T832-L836 PolarHBondContact O-N 3.35Å; T833-L836 PolarHBondContact O-N 3.19Å; I834-L836 VanDerWaalsContact C-N 3.34Å; I834-L836 PolarHBondContact O-N 2.96Å; L836-Q838 VanDerWaalsContact C-N 3.3Å; L836-Q838 PolarHBondContact O-N 3.46Å; L836-A839 PolarHBondContact O-N 3.23Å; L836-V840 VanDerWaalsContact O-CG2 3.32Å; L836-V840 WeakPolarHBondContact O-CG2 3.49Å; L836-V840 PolarHBondContact O-N 3.42Å; L836-I852 HydrophobicContact CD2-CB 4.46Å; L836-I852 HydrophobicContact CD2-CG1 4.27Å; L836-I852 HydrophobicContact CD2-CG2 4.11Å; L836-I855 HydrophobicContact CD2-CB 4.16Å; L836-I855 HydrophobicContact CD2-CD1 4.36Å; L836-I855 HydrophobicContact CD2-CG2 3.75Å; L836-I855 HydrophobicContact CG-CG2 3.82Å; L836-L856 HydrophobicContact CD1-CD2 4.24Å; L836-L856 HydrophobicContact CD2-CD2 4.42Å; L836-L856 HydrophobicContact CD2-CG 4.45Å; L836-F900 HydrophobicContact CD1-CE1 3.96Å; L836-V940 HydrophobicContact CB-CG1 3.66Å; L836-V940 HydrophobicContact CD1-CG1 4.26Å; L836-V940 HydrophobicContact CG-CG1 4.47Å; L836-I944 HydrophobicContact CD1-CD1 4.21Å; L836-I944 HydrophobicContact CD2-CD1 4.27Å
837	L	91.4	Very high	92.1	Very high	31 Å²	31	52.1 Å²	52.1	16%	0.162	29%	0.29	C	S	.	.	H	α-helix	trans	-58.3	-43.4	174.3	-77.2	166.4	0	0	0	111.3	T833 I834 F933 Q936 V940	T833-L837 HydrophobicContact CG2-CD1 4.05Å; T833-L837 VanDerWaalsContact O-CG 3.28Å; T833-L837 WeakPolarHBondContact O-CG 3.37Å; T833-L837 PolarHBondContact O-N 3.07Å; I834-L837 WeakPolarHBondContact O-CB 3.36Å; I834-L837 PolarHBondContact O-N 3.31Å; L837-F933 HydrophobicContact CD1-CE2 4.07Å; L837-F933 HydrophobicContact CD1-CZ 4.3Å; L837-Q936 HydrophobicContact CD2-CB 3.52Å; L837-V940 HydrophobicContact CB-CG2 4.47Å; L837-V940 HydrophobicContact CD2-CG2 3.52Å; L837-V940 HydrophobicContact CG-CG2 3.98Å
838	Q	92	Very high	92.3	Very high	137 Å²	137	54 Å²	54	64%	0.64	30%	0.297	S	S	*	.	H	α-helix	trans	-67.3	-43	176	-68.2	175	-12.1	0	0	112.1	I834 A835 L836 V840 E841	I834-Q838 WeakPolarHBondContact O-CG 3.39Å; I834-Q838 PolarHBondContact O-N 3.02Å; I834-Q838 VanDerWaalsContact O-N 3.07Å; A835-Q838 PolarHBondContact O-N 2.98Å; L836-Q838 VanDerWaalsContact C-N 3.3Å; L836-Q838 PolarHBondContact O-N 3.46Å; Q838-V840 VanDerWaalsContact C-N 3.29Å; Q838-V840 PolarHBondContact O-N 3.4Å; Q838-E841 PolarHBondContact O-N 3.46Å
839	A	94.1	Very high	92.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-39.1	-179.9	0	0	0	0	0	112.2	A835 L836 E841 I842 R848 L851 I852 I855	A835-A839 WeakPolarHBondContact O-CB 3.35Å; A835-A839 PolarHBondContact O-N 3.15Å; L836-A839 PolarHBondContact O-N 3.23Å; A839-E841 PolarHBondContact O-N 3.1Å; A839-I842 VanDerWaalsContact O-CB 3.31Å; A839-I842 WeakPolarHBondContact O-CB 3.43Å; A839-I842 WeakPolarHBondContact O-CG1 3.07Å; A839-I842 PolarHBondContact O-N 3.17Å; A839-I842 VanDerWaalsContact O-N 3.08Å; A839-R848 WeakPolarHBondContact O-CG 3.49Å; A839-L851 HydrophobicContact CB-CB 4.48Å; A839-L851 HydrophobicContact CB-CD2 3.69Å; A839-L851 HydrophobicContact CB-CG 3.98Å; A839-I852 HydrophobicContact CB-CG1 3.91Å; A839-I855 HydrophobicContact CB-CD1 3.82Å
840	V	92.8	Very high	92.5	Very high	14 Å²	14	58.5 Å²	58.5	9%	0.085	32%	0.317	C	S	.	.	H	α-helix	trans	-68.8	-19.8	-177.2	170.9	0	0	0	0	113.5	L836 Q838 I842 I852 K939 V940 C943	L836-V840 VanDerWaalsContact O-CG2 3.32Å; L836-V840 WeakPolarHBondContact O-CG2 3.49Å; L836-V840 PolarHBondContact O-N 3.42Å; Q838-V840 VanDerWaalsContact C-N 3.29Å; Q838-V840 PolarHBondContact O-N 3.4Å; V840-I842 VanDerWaalsContact C-N 3.28Å; V840-I842 PolarHBondContact O-N 2.86Å; V840-I852 HydrophobicContact CG2-CD1 3.98Å; V840-K939 HydrophobicContact CG1-CG 4.36Å; V840-V940 HydrophobicContact CB-CG2 4.26Å; V840-V940 HydrophobicContact CG2-CB 4.34Å; V840-V940 HydrophobicContact CG2-CG1 4.29Å; V840-V940 HydrophobicContact CG2-CG2 4.01Å; V840-C943 HydrophobicContact CG1-CB 4.12Å; V840-C943 HydrophobicContact CG2-CB 4.01Å
841	E	91	Very high	92.9	Very high	113 Å²	113	58.9 Å²	58.9	53%	0.528	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-8.8	173.7	-61.3	-56.8	149	0	0	113.4	Q838 A839 P843 K939	Q838-E841 PolarHBondContact O-N 3.46Å; A839-E841 PolarHBondContact O-N 3.1Å; E841-P843 VanDerWaalsContact O-CD 3.3Å; E841-P843 WeakPolarHBondContact O-CD 3.47Å; E841-K939 IonicContact OE1-NZ 2.79Å; E841-K939 PolarHBondContact OE1-NZ 2.94Å; E841-K939 IonicContact OE2-NZ 3.15Å; E841-K939 PolarHBondContact OE2-NZ 3.01Å
842	I	93.2	Very high	93.2	Very high	45 Å²	45	54 Å²	54	23%	0.231	29%	0.291	C	S	.	.			trans	-67.7	121.9	175.9	-62.6	175.8	0	0	0	109.4	A839 V840 D844 V847 R848 L851	A839-I842 VanDerWaalsContact O-CB 3.31Å; A839-I842 WeakPolarHBondContact O-CB 3.43Å; A839-I842 WeakPolarHBondContact O-CG1 3.07Å; A839-I842 PolarHBondContact O-N 3.17Å; A839-I842 VanDerWaalsContact O-N 3.08Å; V840-I842 VanDerWaalsContact C-N 3.28Å; V840-I842 PolarHBondContact O-N 2.86Å; I842-D844 HydrophobicContact CG2-CB 4.4Å; I842-V847 HydrophobicContact CG2-CB 4.28Å; I842-V847 HydrophobicContact CG2-CG1 4.24Å; I842-R848 HydrophobicContact CB-CB 4.04Å; I842-R848 HydrophobicContact CG2-CB 4.21Å; I842-R848 PolarHBondContact O-NH1 3.5Å; I842-L851 HydrophobicContact CD1-CD2 3.46Å; I842-L851 VanDerWaalsContact CD1-CD2 3.46Å
843	P	90.6	Very high	93.2	Very high	123 Å²	123	56 Å²	56	80%	0.799	30%	0.299	S	S	*	.	S	Bend	trans	-65.7	-42.2	-177.9	-23.8	34.8	0	0	0	113.4	E841 E845 R848	E841-P843 VanDerWaalsContact O-CD 3.3Å; E841-P843 WeakPolarHBondContact O-CD 3.47Å; P843-E845 PolarHBondContact O-N 3.36Å; P843-R848 PolarHBondContact O-NH1 3.39Å
844	D	93.6	Very high	93.4	Very high	87 Å²	87	60.2 Å²	60.2	47%	0.465	32%	0.322	S	S	.	.			trans	-66.8	117.9	179.3	-172.6	-50	0	0	0	110.6	I842 S846 V847 R848	I842-D844 HydrophobicContact CG2-CB 4.4Å; D844-S846 WeakPolarHBondContact OD1-CB 3.23Å; D844-S846 PolarHBondContact OD1-N 3.06Å; D844-V847 HydrophobicContact CB-CB 4.14Å; D844-V847 HydrophobicContact CB-CG2 4.12Å; D844-V847 PolarHBondContact OD1-N 3.06Å; D844-V847 VanDerWaalsContact OD1-N 3.12Å; D844-R848 WeakPolarHBondContact O-CB 3.31Å; D844-R848 PolarHBondContact O-N 3.4Å
845	E	92.5	Very high	93.6	Very high	74 Å²	74	58 Å²	58	35%	0.346	31%	0.31	S	S	.	.	H	α-helix	trans	-66.7	-36.1	-176.2	-179.2	174.5	-162.9	0	0	113.4	P843 N849 K952	P843-E845 PolarHBondContact O-N 3.36Å; E845-N849 WeakPolarHBondContact O-CB 3.45Å; E845-N849 PolarHBondContact O-N 3.49Å; E845-N849 PolarHBondContact O-ND2 3.16Å; E845-K952 HydrophobicContact CG-CD 4.5Å; E845-K952 WeakPolarHBondContact OE1-CD 3.48Å; E845-K952 WeakPolarHBondContact OE1-CE 3.41Å; E845-K952 IonicContact OE1-NZ 3.91Å; E845-K952 PolarHBondContact OE1-NZ 2.87Å; E845-K952 IonicContact OE2-NZ 3.51Å; E845-K952 PolarHBondContact OE2-NZ 3.01Å
846	S	93.7	Very high	93.6	Very high	85 Å²	85	56.6 Å²	56.6	59%	0.594	30%	0.299	S	S	*	.	H	α-helix	trans	-70.2	-47.6	-178.6	-168.3	0	0	0	0	110.2	D844 N849 Q850	D844-S846 WeakPolarHBondContact OD1-CB 3.23Å; D844-S846 PolarHBondContact OD1-N 3.06Å; S846-N849 PolarHBondContact O-N 3.18Å; S846-Q850 WeakPolarHBondContact O-CB 3.49Å; S846-Q850 PolarHBondContact O-N 2.79Å
847	V	95.1	Very high	93.5	Very high	75 Å²	75	59.9 Å²	59.9	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-64.4	-42.9	177.8	-180	0	0	0	0	110.6	I842 D844 Q850 L851	I842-V847 HydrophobicContact CG2-CB 4.28Å; I842-V847 HydrophobicContact CG2-CG1 4.24Å; D844-V847 HydrophobicContact CB-CB 4.14Å; D844-V847 HydrophobicContact CB-CG2 4.12Å; D844-V847 PolarHBondContact OD1-N 3.06Å; D844-V847 VanDerWaalsContact OD1-N 3.12Å; V847-Q850 PolarHBondContact O-N 3.27Å; V847-L851 WeakPolarHBondContact O-CB 3.26Å; V847-L851 PolarHBondContact O-N 2.99Å
848	R	95.7	Very high	93.6	Very high	41 Å²	41	65 Å²	65	16%	0.155	35%	0.346	C	S	.	.	H	α-helix	trans	-58	-51.3	175.8	175.7	172.6	67.5	-119.3	-0.2	111.9	A839 I842 P843 D844 Q850 L851 I852	A839-R848 WeakPolarHBondContact O-CG 3.49Å; I842-R848 HydrophobicContact CB-CB 4.04Å; I842-R848 HydrophobicContact CG2-CB 4.21Å; I842-R848 PolarHBondContact O-NH1 3.5Å; P843-R848 PolarHBondContact O-NH1 3.39Å; D844-R848 WeakPolarHBondContact O-CB 3.31Å; D844-R848 PolarHBondContact O-N 3.4Å; R848-Q850 VanDerWaalsContact C-N 3.34Å; R848-L851 PolarHBondContact O-N 3.34Å; R848-I852 HydrophobicContact CG-CD1 3.79Å; R848-I852 HydrophobicContact CG-CG1 4.48Å; R848-I852 WeakPolarHBondContact O-CB 3.21Å; R848-I852 VanDerWaalsContact O-CG1 3.27Å; R848-I852 WeakPolarHBondContact O-CG1 3.26Å; R848-I852 PolarHBondContact O-N 3Å
849	N	93.8	Very high	93.6	Very high	8 Å²	8	58.9 Å²	58.9	4%	0.043	32%	0.318	C	S	.	.	H	α-helix	trans	-65.8	-39.3	-177.3	-72.5	-13.7	0	0	0	111.5	E845 S846 I852 E853 S947 K952 L953	E845-N849 WeakPolarHBondContact O-CB 3.45Å; E845-N849 PolarHBondContact O-N 3.49Å; E845-N849 PolarHBondContact O-ND2 3.16Å; S846-N849 PolarHBondContact O-N 3.18Å; N849-I852 PolarHBondContact O-N 2.96Å; N849-E853 PolarHBondContact O-N 2.85Å; N849-S947 PolarHBondContact ND2-OG 3.34Å; N849-S947 WeakPolarHBondContact OD1-CB 3.45Å; N849-S947 PolarHBondContact OD1-OG 3.08Å; N849-K952 PolarHBondContact ND2-O 3.15Å; N849-L953 WeakPolarHBondContact O-CD1 3.35Å
850	Q	94	Very high	93.4	Very high	119 Å²	119	62.1 Å²	62.1	56%	0.556	34%	0.339	S	S	*	.	H	α-helix	trans	-62.7	-45	175.8	-173.5	162.6	11.1	0	0	111.7	S846 V847 R848 I852 E853 D854	S846-Q850 WeakPolarHBondContact O-CB 3.49Å; S846-Q850 PolarHBondContact O-N 2.79Å; V847-Q850 PolarHBondContact O-N 3.27Å; R848-Q850 VanDerWaalsContact C-N 3.34Å; Q850-I852 PolarHBondContact O-N 2.84Å; Q850-E853 WeakPolarHBondContact O-CB 3.28Å; Q850-E853 PolarHBondContact O-N 3.32Å; Q850-D854 VanDerWaalsContact O-CG 3.27Å; Q850-D854 PolarHBondContact O-N 2.96Å
851	L	95	Very high	93.3	Very high	65 Å²	65	64.7 Å²	64.7	34%	0.34	36%	0.355	S	S	.	.	H	α-helix	trans	-64.2	-39.8	175.9	-177.3	62.6	0	0	0	112.2	A839 I842 V847 R848 E853 D854 I855	A839-L851 HydrophobicContact CB-CB 4.48Å; A839-L851 HydrophobicContact CB-CD2 3.69Å; A839-L851 HydrophobicContact CB-CG 3.98Å; I842-L851 HydrophobicContact CD1-CD2 3.46Å; I842-L851 VanDerWaalsContact CD1-CD2 3.46Å; V847-L851 WeakPolarHBondContact O-CB 3.26Å; V847-L851 PolarHBondContact O-N 2.99Å; R848-L851 PolarHBondContact O-N 3.34Å; L851-E853 VanDerWaalsContact C-N 3.31Å; L851-E853 PolarHBondContact O-N 3.44Å; L851-D854 PolarHBondContact O-N 3Å; L851-I855 HydrophobicContact CD1-CD1 4.26Å; L851-I855 HydrophobicContact CD1-CG1 4.41Å; L851-I855 HydrophobicContact CG-CD1 3.87Å; L851-I855 HydrophobicContact CG-CG1 4.47Å; L851-I855 WeakPolarHBondContact O-CB 3.37Å; L851-I855 WeakPolarHBondContact O-CD1 3.32Å; L851-I855 WeakPolarHBondContact O-CG1 3.32Å; L851-I855 PolarHBondContact O-N 3.48Å
852	I	95.5	Very high	93.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.6	-43.1	174.4	-73.2	170.3	0	0	0	110.5	L836 A839 V840 R848 N849 Q850 I855 L856 I944 L953	L836-I852 HydrophobicContact CD2-CB 4.46Å; L836-I852 HydrophobicContact CD2-CG1 4.27Å; L836-I852 HydrophobicContact CD2-CG2 4.11Å; A839-I852 HydrophobicContact CB-CG1 3.91Å; V840-I852 HydrophobicContact CG2-CD1 3.98Å; R848-I852 HydrophobicContact CG-CD1 3.79Å; R848-I852 HydrophobicContact CG-CG1 4.48Å; R848-I852 WeakPolarHBondContact O-CB 3.21Å; R848-I852 VanDerWaalsContact O-CG1 3.27Å; R848-I852 WeakPolarHBondContact O-CG1 3.26Å; R848-I852 PolarHBondContact O-N 3Å; N849-I852 PolarHBondContact O-N 2.96Å; Q850-I852 PolarHBondContact O-N 2.84Å; I852-I855 PolarHBondContact O-N 2.98Å; I852-L856 HydrophobicContact CG2-CD1 3.92Å; I852-L856 HydrophobicContact CG2-CG 4.38Å; I852-L856 WeakPolarHBondContact O-CB 3.3Å; I852-L856 VanDerWaalsContact O-CG 3.29Å; I852-L856 WeakPolarHBondContact O-CG 3.48Å; I852-L856 PolarHBondContact O-N 2.94Å; I852-I944 HydrophobicContact CG2-CD1 4.45Å; I852-I944 HydrophobicContact CG2-CG1 3.94Å; I852-L953 HydrophobicContact CG2-CD1 4.28Å; I852-L953 HydrophobicContact CG2-CD2 3.75Å
853	E	94.3	Very high	93.2	Very high	61 Å²	61	58.6 Å²	58.6	29%	0.285	33%	0.327	S	S	.	.	H	α-helix	trans	-60.4	-50.2	175.9	-167.2	175.4	160	0	0	111.2	N849 Q850 L851 I855 L856 V857 L953	N849-E853 PolarHBondContact O-N 2.85Å; Q850-E853 WeakPolarHBondContact O-CB 3.28Å; Q850-E853 PolarHBondContact O-N 3.32Å; L851-E853 VanDerWaalsContact C-N 3.31Å; L851-E853 PolarHBondContact O-N 3.44Å; E853-I855 VanDerWaalsContact C-N 3.27Å; E853-I855 PolarHBondContact O-N 3.46Å; E853-L856 PolarHBondContact O-N 2.95Å; E853-L856 VanDerWaalsContact O-N 3.16Å; E853-V857 HydrophobicContact CG-CG2 4.42Å; E853-V857 VanDerWaalsContact O-CG2 3.3Å; E853-V857 WeakPolarHBondContact O-CG2 3.46Å; E853-V857 PolarHBondContact O-N 3.3Å; E853-L953 HydrophobicContact CB-CD1 3.73Å; E853-L953 HydrophobicContact CG-CD1 4.31Å
854	D	94.2	Very high	93.3	Very high	88 Å²	88	53.5 Å²	53.5	47%	0.471	29%	0.293	S	S	.	.	H	α-helix	trans	-57.5	-40.1	177.7	-67.5	-24.3	0	0	0	111.8	Q850 L851 N858	Q850-D854 VanDerWaalsContact O-CG 3.27Å; Q850-D854 PolarHBondContact O-N 2.96Å; L851-D854 PolarHBondContact O-N 3Å; D854-N858 PolarHBondContact O-ND2 2.99Å
855	I	95.1	Very high	93.2	Very high	22 Å²	22	49.8 Å²	49.8	11%	0.113	27%	0.273	C	S	.	.	H	α-helix	trans	-66.5	-48	176.7	-69.6	162.4	0	0	0	110.9	T832 A835 L836 A839 L851 I852 E853 N858	T832-I855 HydrophobicContact CG2-CG2 3.53Å; A835-I855 HydrophobicContact CB-CD1 3.87Å; A835-I855 HydrophobicContact CB-CG1 4.14Å; A835-I855 HydrophobicContact CB-CG2 4.08Å; L836-I855 HydrophobicContact CD2-CB 4.16Å; L836-I855 HydrophobicContact CD2-CD1 4.36Å; L836-I855 HydrophobicContact CD2-CG2 3.75Å; L836-I855 HydrophobicContact CG-CG2 3.82Å; A839-I855 HydrophobicContact CB-CD1 3.82Å; L851-I855 HydrophobicContact CD1-CD1 4.26Å; L851-I855 HydrophobicContact CD1-CG1 4.41Å; L851-I855 HydrophobicContact CG-CD1 3.87Å; L851-I855 HydrophobicContact CG-CG1 4.47Å; L851-I855 WeakPolarHBondContact O-CB 3.37Å; L851-I855 WeakPolarHBondContact O-CD1 3.32Å; L851-I855 WeakPolarHBondContact O-CG1 3.32Å; L851-I855 PolarHBondContact O-N 3.48Å; I852-I855 PolarHBondContact O-N 2.98Å; E853-I855 VanDerWaalsContact C-N 3.27Å; E853-I855 PolarHBondContact O-N 3.46Å; I855-N858 PolarHBondContact O-N 2.75Å
856	L	93.7	Very high	93.2	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-66.4	-38.8	-177.2	-70.6	175.2	0	0	0	112.1	I828 L836 I852 E853 N858 L859 L864 F867 I944 V955	I828-L856 HydrophobicContact CD1-CD2 4.41Å; L836-L856 HydrophobicContact CD1-CD2 4.24Å; L836-L856 HydrophobicContact CD2-CD2 4.42Å; L836-L856 HydrophobicContact CD2-CG 4.45Å; I852-L856 HydrophobicContact CG2-CD1 3.92Å; I852-L856 HydrophobicContact CG2-CG 4.38Å; I852-L856 WeakPolarHBondContact O-CB 3.3Å; I852-L856 VanDerWaalsContact O-CG 3.29Å; I852-L856 WeakPolarHBondContact O-CG 3.48Å; I852-L856 PolarHBondContact O-N 2.94Å; E853-L856 PolarHBondContact O-N 2.95Å; E853-L856 VanDerWaalsContact O-N 3.16Å; L856-N858 PolarHBondContact O-N 3Å; L856-N858 VanDerWaalsContact O-N 3.15Å; L856-L859 HydrophobicContact CD2-CD1 3.86Å; L856-L859 VanDerWaalsContact O-CB 3.27Å; L856-L859 WeakPolarHBondContact O-CB 3.34Å; L856-L859 WeakPolarHBondContact O-CG 3.27Å; L856-L859 PolarHBondContact O-N 3.29Å; L856-L864 HydrophobicContact CB-CD1 4.19Å; L856-L864 VanDerWaalsContact O-CD1 3.32Å; L856-L864 WeakPolarHBondContact O-CD1 3.48Å; L856-F867 HydrophobicContact CD1-CE1 4.04Å; L856-F867 HydrophobicContact CD2-CD1 4.34Å; L856-F867 HydrophobicContact CD2-CE1 4.03Å; L856-I944 HydrophobicContact CD1-CG2 4.45Å; L856-V955 HydrophobicContact CD1-CG2 3.84Å
857	V	92.2	Very high	93.2	Very high	69 Å²	69	42.3 Å²	42.3	42%	0.418	23%	0.228	S	C	.	.	H	α-helix	trans	-61.7	-23.1	179.7	170.3	0	0	0	0	112.7	E853 L859 P956	E853-V857 HydrophobicContact CG-CG2 4.42Å; E853-V857 VanDerWaalsContact O-CG2 3.3Å; E853-V857 WeakPolarHBondContact O-CG2 3.46Å; E853-V857 PolarHBondContact O-N 3.3Å; V857-L859 VanDerWaalsContact C-N 3.3Å; V857-L859 PolarHBondContact O-N 3.35Å; V857-P956 HydrophobicContact CG2-CG 3.82Å
858	N	92.7	Very high	93.2	Very high	137 Å²	137	39 Å²	39	73%	0.733	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-8.1	175.7	-71.3	-48.7	0	0	0	114.1	D854 I855 L856	D854-N858 PolarHBondContact O-ND2 2.99Å; I855-N858 PolarHBondContact O-N 2.75Å; L856-N858 PolarHBondContact O-N 3Å; L856-N858 VanDerWaalsContact O-N 3.15Å
859	L	92	Very high	93	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.052	20%	0.203	C	C	.	.	S	Bend	trans	-65.2	149.6	172.9	-72.4	167.3	0	0	0	110.8	I828 T832 L856 V857 T861 N863 L864	I828-L859 HydrophobicContact CD1-CD1 3.51Å; I828-L859 HydrophobicContact CD1-CD2 4.49Å; T832-L859 HydrophobicContact CG2-CD2 4.02Å; T832-L859 HydrophobicContact CG2-CG 4.29Å; L856-L859 HydrophobicContact CD2-CD1 3.86Å; L856-L859 VanDerWaalsContact O-CB 3.27Å; L856-L859 WeakPolarHBondContact O-CB 3.34Å; L856-L859 WeakPolarHBondContact O-CG 3.27Å; L856-L859 PolarHBondContact O-N 3.29Å; V857-L859 VanDerWaalsContact C-N 3.3Å; V857-L859 PolarHBondContact O-N 3.35Å; L859-T861 PolarHBondContact O-N 3.01Å; L859-N863 HydrophobicContact CB-CB 4.39Å; L859-L864 HydrophobicContact CB-CB 4.22Å
860	P	91.4	Very high	93.1	Very high	68 Å²	68	37.2 Å²	37.2	44%	0.442	20%	0.201	S	C	.	.			trans	-52.1	139.1	170.9	-24.8	33.3	0	0	0	111.2	P862 N863 L864	P860-P862 VanDerWaalsContact C-CD 3.45Å; P860-P862 VanDerWaalsContact C-N 3.33Å; P860-P862 VanDerWaalsContact O-N 3.15Å; P860-N863 HydrophobicContact CB-CB 4.41Å; P860-N863 WeakPolarHBondContact O-CA 3.38Å; P860-N863 WeakPolarHBondContact O-CB 3.47Å; P860-N863 PolarHBondContact O-N 3.29Å; P860-L864 PolarHBondContact O-N 3.46Å
861	T	89.3	Confident	93.1	Very high	68 Å²	68	31.7 Å²	31.7	42%	0.417	18%	0.176	S	C	.	.	H	α-helix	trans	-49	-45.3	-175	-47.9	0	0	0	0	113.6	F754 L859 N863 L864 E865	F754-T861 HydrophobicContact CB-CG2 4.37Å; F754-T861 HydrophobicContact CD1-CG2 4.48Å; F754-T861 HydrophobicContact CD2-CG2 4.07Å; F754-T861 HydrophobicContact CE2-CG2 4.48Å; F754-T861 HydrophobicContact CG-CG2 4.07Å; L859-T861 PolarHBondContact O-N 3.01Å; T861-N863 VanDerWaalsContact C-N 3.31Å; T861-N863 PolarHBondContact O-N 2.82Å; T861-L864 PolarHBondContact O-N 3.13Å; T861-E865 HydrophobicContact CG2-CG 4.21Å; T861-E865 WeakPolarHBondContact O-CG 3.45Å; T861-E865 PolarHBondContact O-N 3.15Å
862	P	90.4	Very high	93.1	Very high	17 Å²	17	31.6 Å²	31.6	11%	0.11	18%	0.176	C	C	.	.	H	α-helix	trans	-60.2	-38.3	175.9	-23.3	35.4	0	0	0	113.6	L730 A731 V734 F754 P860 T866	L730-P862 HydrophobicContact CD2-CB 4.19Å; L730-P862 WeakPolarHBondContact CD2-O 3.49Å; L730-P862 HydrophobicContact CG-CB 4.13Å; A731-P862 HydrophobicContact CB-CG 4.31Å; V734-P862 HydrophobicContact CG2-CB 4.38Å; F754-P862 WeakPolarHBondContact O-CA 3.31Å; P860-P862 VanDerWaalsContact C-CD 3.45Å; P860-P862 VanDerWaalsContact C-N 3.33Å; P860-P862 VanDerWaalsContact O-N 3.15Å; P862-T866 WeakPolarHBondContact O-CB 3.34Å; P862-T866 PolarHBondContact O-N 2.79Å; P862-T866 PolarHBondContact O-OG1 2.8Å
863	N	92.7	Very high	93.1	Very high	12 Å²	12	31.6 Å²	31.6	6%	0.064	18%	0.176	C	C	.	.	H	α-helix	trans	-69.5	-47.4	179	-64.4	51.1	0	0	0	110.5	L730 L827 L859 P860 T861 T866 F867	L730-N863 HydrophobicContact CD2-CB 4.35Å; L827-N863 HydrophobicContact CD1-CB 4.14Å; L827-N863 PolarHBondContact O-ND2 3.1Å; L827-N863 VanDerWaalsContact O-ND2 3.1Å; L859-N863 HydrophobicContact CB-CB 4.39Å; P860-N863 HydrophobicContact CB-CB 4.41Å; P860-N863 WeakPolarHBondContact O-CA 3.38Å; P860-N863 WeakPolarHBondContact O-CB 3.47Å; P860-N863 PolarHBondContact O-N 3.29Å; T861-N863 VanDerWaalsContact C-N 3.31Å; T861-N863 PolarHBondContact O-N 2.82Å; N863-T866 PolarHBondContact O-N 3.3Å; N863-F867 WeakPolarHBondContact O-CB 3.48Å; N863-F867 PolarHBondContact O-N 2.8Å
864	L	92.5	Very high	93.2	Very high	17 Å²	17	28.8 Å²	28.8	9%	0.089	16%	0.162	C	C	.	.	H	α-helix	trans	-59.2	-51.3	178.5	-179.5	59.3	0	0	0	111.7	L856 L859 P860 T861 F867 N868 V955	L856-L864 HydrophobicContact CB-CD1 4.19Å; L856-L864 VanDerWaalsContact O-CD1 3.32Å; L856-L864 WeakPolarHBondContact O-CD1 3.48Å; L859-L864 HydrophobicContact CB-CB 4.22Å; P860-L864 PolarHBondContact O-N 3.46Å; T861-L864 PolarHBondContact O-N 3.13Å; L864-F867 PolarHBondContact O-N 2.85Å; L864-N868 VanDerWaalsContact O-CB 3.3Å; L864-N868 WeakPolarHBondContact O-CB 3.4Å; L864-N868 PolarHBondContact O-N 2.86Å; L864-V955 HydrophobicContact CD1-CG1 3.4Å; L864-V955 VanDerWaalsContact CD1-CG1 3.4Å; L864-V955 HydrophobicContact CG-CG1 4.27Å
865	E	90.7	Very high	93.3	Very high	8 Å²	8	25.3 Å²	25.3	4%	0.037	14%	0.144	C	C	.	.	H	α-helix	trans	-65.6	-43	-178.7	-66.4	-136.5	133.9	0	0	111.9	F754 I755 T861 N868 Y869 H958	F754-E865 WeakPolarHBondContact CA-OE2 3.47Å; F754-E865 HydrophobicContact CB-CB 4.27Å; F754-E865 HydrophobicContact CB-CG 4.09Å; F754-E865 VanDerWaalsContact CB-OE2 3.29Å; F754-E865 WeakPolarHBondContact CB-OE2 3.37Å; F754-E865 PolarHBondContact N-OE2 2.74Å; I755-E865 HydrophobicContact CG1-CB 3.93Å; T861-E865 HydrophobicContact CG2-CG 4.21Å; T861-E865 WeakPolarHBondContact O-CG 3.45Å; T861-E865 PolarHBondContact O-N 3.15Å; E865-N868 PolarHBondContact O-N 3.29Å; E865-Y869 VanDerWaalsContact O-CB 3.3Å; E865-Y869 WeakPolarHBondContact O-CB 3.26Å; E865-Y869 PolarHBondContact O-N 2.86Å; E865-H958 VanDerWaalsContact OE1-CB 3.24Å; E865-H958 WeakPolarHBondContact OE1-CB 3.32Å; E865-H958 IonicContact OE1-CD2 3.94Å; E865-H958 PolarHBondContact OE1-CD2 3.44Å; E865-H958 IonicContact OE1-CG 2.93Å; E865-H958 PolarHBondContact OE1-N 2.87Å; E865-H958 IonicContact OE2-CD2 2.8Å
866	T	93.4	Very high	93.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.2	-41.3	178.5	-59.3	0	0	0	0	111.2	P756 V759 F820 L827 P862 N863 Y869 L870	P756-T866 WeakPolarHBondContact CD-OG1 3.31Å; V759-T866 HydrophobicContact CG1-CG2 4.39Å; V759-T866 HydrophobicContact CG2-CG2 4.47Å; F820-T866 HydrophobicContact CE1-CG2 3.63Å; F820-T866 HydrophobicContact CZ-CG2 3.79Å; L827-T866 HydrophobicContact CD1-CG2 4.2Å; P862-T866 WeakPolarHBondContact O-CB 3.34Å; P862-T866 PolarHBondContact O-N 2.79Å; P862-T866 PolarHBondContact O-OG1 2.8Å; N863-T866 PolarHBondContact O-N 3.3Å; T866-Y869 PolarHBondContact O-N 3.32Å; T866-L870 WeakPolarHBondContact O-CB 3.47Å; T866-L870 PolarHBondContact O-N 3.04Å
867	F	94.5	Very high	93.4	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.009	15%	0.149	C	C	.	.	H	α-helix	trans	-61.8	-48.3	174.3	176.4	-99.1	0	0	0	111.1	L827 I828 L856 N863 L864 Y869 L870 A871 L899 L941 I944	L827-F867 HydrophobicContact CD2-CB 3.84Å; L827-F867 HydrophobicContact CD2-CD2 4.14Å; L827-F867 HydrophobicContact CG-CB 4.25Å; I828-F867 HydrophobicContact CD1-CD2 3.8Å; I828-F867 HydrophobicContact CD1-CE2 4.12Å; I828-F867 HydrophobicContact CD1-CG 4.1Å; I828-F867 HydrophobicContact CG1-CD2 4.18Å; I828-F867 HydrophobicContact CG1-CE2 4.28Å; L856-F867 HydrophobicContact CD1-CE1 4.04Å; L856-F867 HydrophobicContact CD2-CD1 4.34Å; L856-F867 HydrophobicContact CD2-CE1 4.03Å; N863-F867 WeakPolarHBondContact O-CB 3.48Å; N863-F867 PolarHBondContact O-N 2.8Å; L864-F867 PolarHBondContact O-N 2.85Å; F867-Y869 PolarHBondContact O-N 3.26Å; F867-L870 PolarHBondContact O-N 3.33Å; F867-A871 HydrophobicContact CE1-CB 4.4Å; F867-A871 WeakPolarHBondContact O-CB 3.22Å; F867-A871 PolarHBondContact O-N 3.34Å; F867-L899 HydrophobicContact CD2-CD1 4.45Å; F867-L899 HydrophobicContact CE2-CD1 4.38Å; F867-L941 HydrophobicContact CE2-CD1 4.13Å; F867-L941 HydrophobicContact CZ-CD1 4.21Å; F867-I944 HydrophobicContact CE1-CG2 4.16Å; F867-I944 HydrophobicContact CZ-CD1 4.27Å; F867-I944 HydrophobicContact CZ-CG2 4.1Å
868	N	93.2	Very high	93.6	Very high	6 Å²	6	22.6 Å²	22.6	3%	0.032	13%	0.129	C	C	.	.	H	α-helix	trans	-62.1	-42.7	179.5	-168.6	16.1	0	0	0	111.6	L864 E865 L870 A871 N872 M948 V955 P956	L864-N868 VanDerWaalsContact O-CB 3.3Å; L864-N868 WeakPolarHBondContact O-CB 3.4Å; L864-N868 PolarHBondContact O-N 2.86Å; E865-N868 PolarHBondContact O-N 3.29Å; N868-L870 PolarHBondContact O-N 3.29Å; N868-A871 PolarHBondContact O-N 3.21Å; N868-N872 WeakPolarHBondContact O-CB 3.48Å; N868-N872 PolarHBondContact O-N 3.23Å; N868-N872 PolarHBondContact O-ND2 2.91Å; N868-N872 PolarHBondContact OD1-ND2 2.91Å; N868-M948 VanDerWaalsContact OD1-CE 3.3Å; N868-M948 WeakPolarHBondContact OD1-CE 3.25Å; N868-V955 HydrophobicContact CB-CB 4.34Å; N868-V955 HydrophobicContact CB-CG1 4.01Å; N868-V955 PolarHBondContact ND2-O 3.18Å; N868-P956 PolarHBondContact ND2-O 2.67Å
869	Y	92.9	Very high	93.7	Very high	11 Å²	11	20.4 Å²	20.4	4%	0.043	12%	0.117	C	C	.	.	H	α-helix	trans	-59.6	-47.5	176.5	-174.3	-97.1	0	0	0	112	I755 V759 I760 V763 E865 T866 F867 H873 V961 R963	I755-Y869 HydrophobicContact CD1-CD2 3.64Å; I755-Y869 HydrophobicContact CD1-CE2 4.45Å; I755-Y869 HydrophobicContact CD1-CG 3.77Å; I755-Y869 HydrophobicContact CG2-CD1 4.28Å; I755-Y869 HydrophobicContact CG2-CG 4.36Å; V759-Y869 HydrophobicContact CG1-CD1 4.16Å; V759-Y869 HydrophobicContact CG1-CE1 4.41Å; I760-Y869 HydrophobicContact CG1-CE1 4.36Å; V763-Y869 HydrophobicContact CB-CE1 3.68Å; V763-Y869 HydrophobicContact CG1-CE1 3.63Å; V763-Y869 HydrophobicContact CG2-CD1 4.41Å; V763-Y869 HydrophobicContact CG2-CE1 3.89Å; E865-Y869 VanDerWaalsContact O-CB 3.3Å; E865-Y869 WeakPolarHBondContact O-CB 3.26Å; E865-Y869 PolarHBondContact O-N 2.86Å; T866-Y869 PolarHBondContact O-N 3.32Å; F867-Y869 PolarHBondContact O-N 3.26Å; Y869-H873 PolarHBondContact O-N 3.28Å; Y869-H873 VanDerWaalsContact O-N 3.11Å; Y869-V961 HydrophobicContact CD2-CG1 3.67Å; Y869-V961 HydrophobicContact CE2-CG1 4.05Å; Y869-R963 HydrophobicContact CD2-CG 3.81Å; Y869-R963 VanDerWaalsContact CE2-CD 3.44Å; Y869-R963 HydrophobicContact CE2-CG 3.21Å
870	L	94.8	Very high	93.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-67.5	-43.1	177.5	-177.5	65.8	0	0	0	111.9	F820 T866 F867 N868 N872 H873 L874 W895 L899	F820-L870 HydrophobicContact CD2-CD2 4.42Å; F820-L870 HydrophobicContact CE2-CD2 3.86Å; F820-L870 HydrophobicContact CZ-CD2 3.99Å; T866-L870 WeakPolarHBondContact O-CB 3.47Å; T866-L870 PolarHBondContact O-N 3.04Å; F867-L870 PolarHBondContact O-N 3.33Å; N868-L870 PolarHBondContact O-N 3.29Å; L870-N872 VanDerWaalsContact C-N 3.35Å; L870-N872 PolarHBondContact O-N 2.82Å; L870-H873 WeakPolarHBondContact O-CA 3.44Å; L870-H873 VanDerWaalsContact O-CB 3.26Å; L870-H873 WeakPolarHBondContact O-CB 3.23Å; L870-H873 PolarHBondContact O-N 2.86Å; L870-L874 WeakPolarHBondContact O-CG 3.46Å; L870-L874 PolarHBondContact O-N 2.9Å; L870-W895 HydrophobicContact CD1-CH2 3.69Å; L870-W895 HydrophobicContact CD1-CZ2 3.94Å; L870-W895 HydrophobicContact CD1-CZ3 4.12Å; L870-W895 HydrophobicContact CD2-CD2 4.5Å; L870-W895 HydrophobicContact CD2-CE3 3.79Å; L870-W895 HydrophobicContact CD2-CH2 4.02Å; L870-W895 HydrophobicContact CD2-CZ3 3.55Å; L870-W895 HydrophobicContact CG-CH2 4.45Å; L870-W895 HydrophobicContact CG-CZ3 4.4Å; L870-L899 HydrophobicContact CD2-CD1 3.71Å; L870-L899 HydrophobicContact CD2-CD2 3.52Å; L870-L899 HydrophobicContact CD2-CG 4.2Å
871	A	95	Very high	93.8	Very high	3 Å²	3	23.2 Å²	23.2	3%	0.025	12%	0.121	C	C	.	.	H	α-helix	trans	-60.5	-44.4	178.7	0	0	0	0	0	111.4	F867 N868 H873 L874 V875 L945 M948	F867-A871 HydrophobicContact CE1-CB 4.4Å; F867-A871 WeakPolarHBondContact O-CB 3.22Å; F867-A871 PolarHBondContact O-N 3.34Å; N868-A871 PolarHBondContact O-N 3.21Å; A871-H873 PolarHBondContact O-N 3.03Å; A871-L874 PolarHBondContact O-N 2.79Å; A871-V875 WeakPolarHBondContact O-CG2 3.19Å; A871-V875 PolarHBondContact O-N 3.41Å; A871-L945 HydrophobicContact CB-CD2 3.69Å; A871-L945 WeakPolarHBondContact O-CD2 3.38Å; A871-M948 HydrophobicContact CB-CE 3.81Å; A871-M948 HydrophobicContact CB-SD 3.66Å
872	N	94.2	Very high	93.6	Very high	64 Å²	64	21.8 Å²	21.8	34%	0.342	12%	0.116	S	C	.	.	H	α-helix	trans	-59.8	-36.7	171.2	-78.1	-63.5	0	0	0	111.6	N868 L870 V875 T876 R963	N868-N872 WeakPolarHBondContact O-CB 3.48Å; N868-N872 PolarHBondContact O-N 3.23Å; N868-N872 PolarHBondContact O-ND2 2.91Å; N868-N872 PolarHBondContact OD1-ND2 2.91Å; L870-N872 VanDerWaalsContact C-N 3.35Å; L870-N872 PolarHBondContact O-N 2.82Å; N872-V875 PolarHBondContact O-N 2.92Å; N872-T876 PolarHBondContact O-N 3.34Å; N872-T876 PolarHBondContact O-OG1 3.29Å; N872-T876 VanDerWaalsContact O-OG1 3.06Å; N872-R963 VanDerWaalsContact CB-NH1 3.29Å; N872-R963 PolarHBondContact O-NH1 2.95Å
873	H	95.3	Very high	93.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.8	-45.1	177.8	169.3	63.7	0	0	0	110.9	V763 E767 Y777 Y869 L870 A871 V875 T876 V877	V763-H873 HydrophobicContact CG1-CB 3.83Å; E767-H873 VanDerWaalsContact CD-ND1 3.31Å; E767-H873 VanDerWaalsContact CG-CE1 3.45Å; E767-H873 WeakPolarHBondContact CG-CE1 3.27Å; E767-H873 VanDerWaalsContact CG-ND1 3.25Å; E767-H873 WeakPolarHBondContact CG-ND1 3.02Å; E767-H873 IonicContact OE1-CE1 2.73Å; E767-H873 IonicContact OE1-CG 3.43Å; E767-H873 IonicContact OE1-ND1 2.73Å; E767-H873 PolarHBondContact OE1-ND1 2.89Å; Y777-H873 AromaticContact CE2-NE2 3.44Å; Y777-H873 WeakPolarHBondContact CE2-NE2 3.47Å; Y777-H873 AromaticContact CZ-NE2 3.51Å; Y777-H873 PolarHBondContact OH-CD2 3.01Å; Y777-H873 VanDerWaalsContact OH-CD2 3.22Å; Y777-H873 PolarHBondContact OH-NE2 3.18Å; Y869-H873 PolarHBondContact O-N 3.28Å; Y869-H873 VanDerWaalsContact O-N 3.11Å; L870-H873 WeakPolarHBondContact O-CA 3.44Å; L870-H873 VanDerWaalsContact O-CB 3.26Å; L870-H873 WeakPolarHBondContact O-CB 3.23Å; L870-H873 PolarHBondContact O-N 2.86Å; A871-H873 PolarHBondContact O-N 3.03Å; H873-V875 VanDerWaalsContact C-N 3.3Å; H873-V875 PolarHBondContact O-N 2.93Å; H873-T876 WeakPolarHBondContact O-CA 3.32Å; H873-T876 WeakPolarHBondContact O-CB 3.43Å; H873-T876 PolarHBondContact O-N 3.45Å; H873-T876 VanDerWaalsContact O-N 3.09Å; H873-V877 WeakPolarHBondContact CE1-CG2 3.49Å; H873-V877 WeakPolarHBondContact NE2-CG2 3.34Å; H873-V877 WeakPolarHBondContact O-CG2 3.32Å; H873-V877 PolarHBondContact O-N 3.49Å
874	L	96.9	Very high	93.4	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-62.7	-37.5	176.2	-58.2	-177.5	0	0	0	112	Y777 L870 A871 V877 S878 L891 W895 L945	Y777-L874 HydrophobicContact CE2-CD2 4.25Å; L870-L874 WeakPolarHBondContact O-CG 3.46Å; L870-L874 PolarHBondContact O-N 2.9Å; A871-L874 PolarHBondContact O-N 2.79Å; L874-V877 PolarHBondContact O-N 3.1Å; L874-S878 WeakPolarHBondContact O-CB 3.32Å; L874-S878 PolarHBondContact O-N 3.46Å; L874-L891 HydrophobicContact CB-CD1 4.33Å; L874-L891 HydrophobicContact CD2-CD2 4.38Å; L874-L891 VanDerWaalsContact O-CD1 3.31Å; L874-L891 WeakPolarHBondContact O-CD1 2.92Å; L874-W895 HydrophobicContact CD1-CB 3.98Å; L874-W895 HydrophobicContact CD1-CD2 4.27Å; L874-W895 HydrophobicContact CD1-CG 3.7Å; L874-W895 HydrophobicContact CD2-CD2 4.34Å; L874-W895 HydrophobicContact CD2-CG 4.17Å; L874-W895 HydrophobicContact CD2-CZ2 4.28Å; L874-L945 HydrophobicContact CB-CD1 4.13Å; L874-L945 HydrophobicContact CB-CD2 4.26Å; L874-L945 HydrophobicContact CD1-CD1 4.05Å
875	V	96	Very high	93.1	Very high	15 Å²	15	28.4 Å²	28.4	9%	0.091	14%	0.143	C	C	.	.	H	α-helix	trans	-61.2	-46.7	171.3	172.4	0	0	0	0	110.7	A871 N872 H873 S878 N879 L888 L945 M948 K949	A871-V875 WeakPolarHBondContact O-CG2 3.19Å; A871-V875 PolarHBondContact O-N 3.41Å; N872-V875 PolarHBondContact O-N 2.92Å; H873-V875 VanDerWaalsContact C-N 3.3Å; H873-V875 PolarHBondContact O-N 2.93Å; V875-S878 PolarHBondContact O-N 3.14Å; V875-S878 PolarHBondContact O-OG 3.47Å; V875-N879 PolarHBondContact O-N 2.95Å; V875-N879 VanDerWaalsContact O-N 3.16Å; V875-N879 PolarHBondContact O-ND2 3.15Å; V875-N879 PolarHBondContact O-OD1 3.12Å; V875-L888 HydrophobicContact CG2-CD2 4.45Å; V875-L945 HydrophobicContact CG2-CB 4.5Å; V875-L945 HydrophobicContact CG2-CD2 4.25Å; V875-M948 HydrophobicContact CG2-CB 4.42Å; V875-K949 HydrophobicContact CG1-CB 3.85Å; V875-K949 HydrophobicContact CG1-CD 4.37Å; V875-K949 HydrophobicContact CG1-CG 3.97Å; V875-K949 HydrophobicContact CG2-CB 4.19Å
876	T	95.5	Very high	93	Very high	34 Å²	34	28.2 Å²	28.2	21%	0.209	14%	0.143	C	C	.	.	H	α-helix	trans	-57.5	-51.3	175.7	-60.6	0	0	0	0	111.4	E767 L771 N872 H873 S878 N879 Y880 R963	E767-T876 WeakPolarHBondContact OE1-CB 3.13Å; E767-T876 WeakPolarHBondContact OE1-CG2 3.34Å; L771-T876 HydrophobicContact CD1-CG2 4.39Å; L771-T876 HydrophobicContact CD2-CG2 4.04Å; N872-T876 PolarHBondContact O-N 3.34Å; N872-T876 PolarHBondContact O-OG1 3.29Å; N872-T876 VanDerWaalsContact O-OG1 3.06Å; H873-T876 WeakPolarHBondContact O-CA 3.32Å; H873-T876 WeakPolarHBondContact O-CB 3.43Å; H873-T876 PolarHBondContact O-N 3.45Å; H873-T876 VanDerWaalsContact O-N 3.09Å; T876-S878 VanDerWaalsContact C-N 3.26Å; T876-S878 PolarHBondContact O-N 3.04Å; T876-N879 VanDerWaalsContact O-CB 3.31Å; T876-N879 WeakPolarHBondContact O-CB 3.3Å; T876-N879 PolarHBondContact O-N 3.41Å; T876-Y880 HydrophobicContact CG2-CE2 4.42Å; T876-Y880 WeakPolarHBondContact O-CD2 3.44Å; T876-R963 PolarHBondContact OG1-NH2 3.24Å
877	V	96.2	Very high	92.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-54.9	-44	176.2	174.7	0	0	0	0	111	L771 I776 Y777 H873 L874 N879 Y880 N884 M886 L891	L771-V877 HydrophobicContact CD2-CG2 3.93Å; I776-V877 HydrophobicContact CG2-CG1 3.61Å; Y777-V877 HydrophobicContact CE2-CG2 4.39Å; H873-V877 WeakPolarHBondContact CE1-CG2 3.49Å; H873-V877 WeakPolarHBondContact NE2-CG2 3.34Å; H873-V877 WeakPolarHBondContact O-CG2 3.32Å; H873-V877 PolarHBondContact O-N 3.49Å; L874-V877 PolarHBondContact O-N 3.1Å; V877-N879 PolarHBondContact O-N 3.22Å; V877-Y880 PolarHBondContact O-N 3.02Å; V877-N884 PolarHBondContact O-ND2 3.48Å; V877-M886 HydrophobicContact CG1-CB 4.46Å; V877-L891 HydrophobicContact CB-CD1 4.17Å; V877-L891 HydrophobicContact CG1-CD1 4.03Å; V877-L891 HydrophobicContact CG1-CD2 4.17Å
878	S	95.2	Very high	92.8	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.007	15%	0.15	C	C	.	.	H	α-helix	trans	-66.5	-17.2	179.8	85.2	0	0	0	0	114.7	L874 V875 T876 Y880 K881 L888 K949	L874-S878 WeakPolarHBondContact O-CB 3.32Å; L874-S878 PolarHBondContact O-N 3.46Å; V875-S878 PolarHBondContact O-N 3.14Å; V875-S878 PolarHBondContact O-OG 3.47Å; T876-S878 VanDerWaalsContact C-N 3.26Å; T876-S878 PolarHBondContact O-N 3.04Å; S878-Y880 VanDerWaalsContact C-N 3.27Å; S878-K881 WeakPolarHBondContact O-CB 3.27Å; S878-K881 WeakPolarHBondContact O-CG 3.49Å; S878-K881 PolarHBondContact O-N 3.22Å; S878-L888 WeakPolarHBondContact OG-CD2 3.42Å; S878-K949 PolarHBondContact O-NZ 3.21Å; S878-K949 PolarHBondContact OG-NZ 3.24Å
879	N	95.1	Very high	92.6	Very high	91 Å²	91	29.9 Å²	29.9	49%	0.487	15%	0.154	S	C	.	.	H	α-helix	trans	-72	-25.9	173.7	-66.6	-26.1	0	0	0	111.4	V875 T876 V877 K949	V875-N879 PolarHBondContact O-N 2.95Å; V875-N879 VanDerWaalsContact O-N 3.16Å; V875-N879 PolarHBondContact O-ND2 3.15Å; V875-N879 PolarHBondContact O-OD1 3.12Å; T876-N879 VanDerWaalsContact O-CB 3.31Å; T876-N879 WeakPolarHBondContact O-CB 3.3Å; T876-N879 PolarHBondContact O-N 3.41Å; V877-N879 PolarHBondContact O-N 3.22Å; N879-K949 WeakPolarHBondContact OD1-CE 3.48Å; N879-K949 PolarHBondContact OD1-NZ 3.33Å
880	Y	95	Very high	92.3	Very high	57 Å²	57	30.4 Å²	30.4	22%	0.224	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	17.1	176	-63.6	-96.5	0	0	0	113	L771 L772 T876 V877 S878 A882 Q883 N884 Y966	L771-Y880 HydrophobicContact CB-CD1 4.32Å; L771-Y880 HydrophobicContact CB-CD2 3.99Å; L771-Y880 HydrophobicContact CB-CE2 4.31Å; L771-Y880 HydrophobicContact CB-CG 4.01Å; L771-Y880 HydrophobicContact CD1-CD2 4.15Å; L771-Y880 HydrophobicContact CD1-CE2 3.7Å; L771-Y880 HydrophobicContact CD2-CD2 4.13Å; L771-Y880 HydrophobicContact CD2-CE2 4.4Å; L771-Y880 HydrophobicContact CG-CD2 4.3Å; L771-Y880 HydrophobicContact CG-CE2 4.35Å; L771-Y880 WeakPolarHBondContact O-CB 3.46Å; L772-Y880 HydrophobicContact CD2-CD1 3.58Å; L772-Y880 HydrophobicContact CD2-CE1 4.24Å; L772-Y880 HydrophobicContact CD2-CG 4.43Å; T876-Y880 HydrophobicContact CG2-CE2 4.42Å; T876-Y880 WeakPolarHBondContact O-CD2 3.44Å; V877-Y880 PolarHBondContact O-N 3.02Å; S878-Y880 VanDerWaalsContact C-N 3.27Å; Y880-A882 PolarHBondContact O-N 2.91Å; Y880-Q883 PolarHBondContact O-N 2.85Å; Y880-Q883 PolarHBondContact O-OE1 2.84Å; Y880-Q883 VanDerWaalsContact O-OE1 3.11Å; Y880-N884 WeakPolarHBondContact CB-ND2 3.36Å; Y880-N884 VanDerWaalsContact O-CG 3.23Å; Y880-N884 PolarHBondContact O-N 3.03Å; Y880-N884 PolarHBondContact O-ND2 3.43Å; Y880-N884 PolarHBondContact O-OD1 3.33Å; Y880-Y966 PolarHBondContact OH-O 2.69Å
881	K	90.9	Very high	92.3	Very high	80 Å²	80	30.4 Å²	30.4	35%	0.348	16%	0.158	S	C	.	.	H	α-helix	trans	-54.9	-24.5	-179.3	69.9	176.6	-179.6	175.8	0	114.8	L441 S878 Q883 N884 K885 D887	L441-K881 HydrophobicContact CD2-CD 4.42Å; S878-K881 WeakPolarHBondContact O-CB 3.27Å; S878-K881 WeakPolarHBondContact O-CG 3.49Å; S878-K881 PolarHBondContact O-N 3.22Å; K881-Q883 VanDerWaalsContact C-N 3.29Å; K881-Q883 PolarHBondContact O-N 3.22Å; K881-N884 VanDerWaalsContact CA-OD1 3.25Å; K881-N884 WeakPolarHBondContact CA-OD1 3.35Å; K881-K885 VanDerWaalsContact O-CA 3.23Å; K881-K885 WeakPolarHBondContact O-CA 3.17Å; K881-K885 PolarHBondContact O-N 3.22Å; K881-D887 HydrophobicContact CB-CB 4.39Å; K881-D887 HydrophobicContact CD-CB 3.89Å
882	A	85.8	Confident	92.2	Very high	38 Å²	38	30.3 Å²	30.3	31%	0.314	16%	0.157	S	C	.	.	H	α-helix	trans	-64.8	-35.8	176.5	0	0	0	0	0	111.6	Y880 K885	Y880-A882 PolarHBondContact O-N 2.91Å; A882-K885 WeakPolarHBondContact O-CE 3.14Å; A882-K885 PolarHBondContact O-NZ 3.05Å
883	Q	89.2	Confident	91.7	Very high	97 Å²	97	31.4 Å²	31.4	45%	0.453	16%	0.162	S	C	.	.	H	α-helix	trans	-93.8	-54.1	178.2	-59.4	80.9	7.4	0	0	111	L772 V774 Y880 K881 K885	L772-Q883 HydrophobicContact CD2-CB 3.92Å; L772-Q883 HydrophobicContact CD2-CG 3.98Å; V774-Q883 WeakPolarHBondContact CG2-O 3.21Å; Y880-Q883 PolarHBondContact O-N 2.85Å; Y880-Q883 PolarHBondContact O-OE1 2.84Å; Y880-Q883 VanDerWaalsContact O-OE1 3.11Å; K881-Q883 VanDerWaalsContact C-N 3.29Å; K881-Q883 PolarHBondContact O-N 3.22Å; Q883-K885 PolarHBondContact O-N 3.19Å
884	N	89.8	Confident	91.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-80.4	-10.7	-173.6	70	32.9	0	0	0	115	L771 V773 V774 G775 I776 V877 Y880 K881 M886	L771-N884 WeakPolarHBondContact O-CB 3.37Å; L771-N884 PolarHBondContact O-ND2 2.75Å; V773-N884 WeakPolarHBondContact O-CB 3.37Å; V774-N884 CarbonylContact C-O 3.47Å; V774-N884 WeakPolarHBondContact CA-O 3.34Å; G775-N884 PolarHBondContact N-O 2.62Å; I776-N884 HydrophobicContact CG2-CB 4.19Å; V877-N884 PolarHBondContact O-ND2 3.48Å; Y880-N884 WeakPolarHBondContact CB-ND2 3.36Å; Y880-N884 VanDerWaalsContact O-CG 3.23Å; Y880-N884 PolarHBondContact O-N 3.03Å; Y880-N884 PolarHBondContact O-ND2 3.43Å; Y880-N884 PolarHBondContact O-OD1 3.33Å; K881-N884 VanDerWaalsContact CA-OD1 3.25Å; K881-N884 WeakPolarHBondContact CA-OD1 3.35Å; N884-M886 PolarHBondContact O-N 2.77Å; N884-M886 VanDerWaalsContact O-N 3.16Å; N884-M886 PolarHBondContact OD1-N 2.97Å; N884-M886 PolarHBondContact OD1-O 3.36Å
885	K	85.6	Confident	91.1	Very high	88 Å²	88	32.1 Å²	32.1	38%	0.383	17%	0.166	S	C	.	.			trans	62.3	13.3	179.5	-48.2	-54.7	-177.5	-171.6	0	115.8	D437 V774 K881 A882 Q883 N890	D437-K885 IonicContact OD1-NZ 2.7Å; V774-K885 HydrophobicContact CG1-CB 4.39Å; V774-K885 HydrophobicContact CG1-CG 4.03Å; K881-K885 VanDerWaalsContact O-CA 3.23Å; K881-K885 WeakPolarHBondContact O-CA 3.17Å; K881-K885 PolarHBondContact O-N 3.22Å; A882-K885 WeakPolarHBondContact O-CE 3.14Å; A882-K885 PolarHBondContact O-NZ 3.05Å; Q883-K885 PolarHBondContact O-N 3.19Å; K885-N890 PolarHBondContact O-ND2 3.21Å
886	M	88.4	Confident	90.8	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.025	16%	0.162	C	C	.	.			trans	-106.1	98.9	178.7	-62.9	-56.4	-69.2	0	0	110.4	I776 R778 V877 N884 N890 L891 I894	I776-M886 HydrophobicContact CG2-CB 4.25Å; I776-M886 HydrophobicContact CG2-CG 3.84Å; I776-M886 WeakPolarHBondContact O-CG 3.33Å; R778-M886 HydrophobicContact CB-CE 4.38Å; R778-M886 HydrophobicContact CB-SD 4.48Å; V877-M886 HydrophobicContact CG1-CB 4.46Å; N884-M886 PolarHBondContact O-N 2.77Å; N884-M886 VanDerWaalsContact O-N 3.16Å; N884-M886 PolarHBondContact OD1-N 2.97Å; N884-M886 PolarHBondContact OD1-O 3.36Å; M886-N890 HydrophobicContact CE-CB 3.69Å; M886-N890 HydrophobicContact SD-CB 4.14Å; M886-L891 HydrophobicContact CB-CD2 4.06Å; M886-L891 HydrophobicContact CB-CG 4.15Å; M886-L891 HydrophobicContact CE-CD2 4.08Å; M886-I894 HydrophobicContact CE-CD1 3.39Å
887	D	91.2	Very high	90	Very high	18 Å²	18	31 Å²	31	10%	0.096	16%	0.157	C	C	.	.			trans	-85	176.6	171.2	82.3	-1.7	0	0	0	111.9	K881 G889 N890 L891	K881-D887 HydrophobicContact CB-CB 4.39Å; K881-D887 HydrophobicContact CD-CB 3.89Å; D887-G889 PolarHBondContact O-N 3.17Å; D887-G889 WeakPolarHBondContact OD1-CA 3.49Å; D887-G889 PolarHBondContact OD1-N 3.4Å; D887-N890 PolarHBondContact O-N 2.93Å; D887-N890 PolarHBondContact OD1-N 3.4Å; D887-L891 WeakPolarHBondContact O-CB 3.35Å; D887-L891 VanDerWaalsContact O-CG 3.3Å; D887-L891 WeakPolarHBondContact O-CG 3.36Å; D887-L891 PolarHBondContact O-N 2.88Å
888	L	92.6	Very high	89.6	Confident	13 Å²	13	31.1 Å²	31.1	7%	0.068	16%	0.157	C	C	.	.	H	α-helix	trans	-61.4	-27.8	179.6	-70.6	-179	0	0	0	113	V875 S878 S892 L945 R946 K949	V875-L888 HydrophobicContact CG2-CD2 4.45Å; S878-L888 WeakPolarHBondContact OG-CD2 3.42Å; L888-S892 VanDerWaalsContact O-CB 3.24Å; L888-S892 WeakPolarHBondContact O-CB 3.41Å; L888-S892 PolarHBondContact O-N 3.41Å; L888-S892 PolarHBondContact O-OG 2.84Å; L888-L945 HydrophobicContact CD1-CB 4.12Å; L888-L945 HydrophobicContact CD2-CB 3.79Å; L888-L945 HydrophobicContact CD2-CD1 4.06Å; L888-L945 HydrophobicContact CD2-CG 4.49Å; L888-L945 HydrophobicContact CG-CB 4.43Å; L888-R946 HydrophobicContact CD1-CB 4.43Å; L888-R946 HydrophobicContact CD1-CG 3.78Å; L888-K949 HydrophobicContact CD1-CB 4.15Å; L888-K949 HydrophobicContact CD1-CD 3.73Å; L888-K949 HydrophobicContact CG-CD 4.41Å
889	G	88.5	Confident	89.4	Confident	12 Å²	12	31.1 Å²	31.1	12%	0.124	16%	0.158	C	C	.	.	H	α-helix	trans	-68	-52.5	175.4	0	0	0	0	0	111.7	D887 L891 S892 L893 N942	D887-G889 PolarHBondContact O-N 3.17Å; D887-G889 WeakPolarHBondContact OD1-CA 3.49Å; D887-G889 PolarHBondContact OD1-N 3.4Å; G889-L891 VanDerWaalsContact C-N 3.31Å; G889-L891 PolarHBondContact O-N 3.23Å; G889-S892 PolarHBondContact O-N 2.99Å; G889-S892 VanDerWaalsContact O-N 3.15Å; G889-L893 WeakPolarHBondContact O-CG 3.02Å; G889-L893 PolarHBondContact O-N 3.24Å; G889-N942 WeakPolarHBondContact CA-ND2 3.12Å
890	N	88.2	Confident	89.2	Confident	22 Å²	22	26.9 Å²	26.9	12%	0.118	14%	0.135	C	C	.	.	H	α-helix	trans	-59.8	-42.9	178.3	-64.5	-10.9	0	0	0	111.4	K885 M886 D887 L893 I894	K885-N890 PolarHBondContact O-ND2 3.21Å; M886-N890 HydrophobicContact CE-CB 3.69Å; M886-N890 HydrophobicContact SD-CB 4.14Å; D887-N890 PolarHBondContact O-N 2.93Å; D887-N890 PolarHBondContact OD1-N 3.4Å; N890-L893 PolarHBondContact O-N 3.24Å; N890-I894 WeakPolarHBondContact O-CG1 3.31Å; N890-I894 PolarHBondContact O-N 3.38Å
891	L	93.3	Very high	88.4	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.4	-39.9	176.6	-67.8	168.9	0	0	0	112	Y777 L874 V877 M886 D887 G889 L893 I894 W895	Y777-L891 HydrophobicContact CD2-CD2 4Å; L874-L891 HydrophobicContact CB-CD1 4.33Å; L874-L891 HydrophobicContact CD2-CD2 4.38Å; L874-L891 VanDerWaalsContact O-CD1 3.31Å; L874-L891 WeakPolarHBondContact O-CD1 2.92Å; V877-L891 HydrophobicContact CB-CD1 4.17Å; V877-L891 HydrophobicContact CG1-CD1 4.03Å; V877-L891 HydrophobicContact CG1-CD2 4.17Å; M886-L891 HydrophobicContact CB-CD2 4.06Å; M886-L891 HydrophobicContact CB-CG 4.15Å; M886-L891 HydrophobicContact CE-CD2 4.08Å; D887-L891 WeakPolarHBondContact O-CB 3.35Å; D887-L891 VanDerWaalsContact O-CG 3.3Å; D887-L891 WeakPolarHBondContact O-CG 3.36Å; D887-L891 PolarHBondContact O-N 2.88Å; G889-L891 VanDerWaalsContact C-N 3.31Å; G889-L891 PolarHBondContact O-N 3.23Å; L891-L893 VanDerWaalsContact C-N 3.35Å; L891-L893 PolarHBondContact O-N 3.32Å; L891-I894 PolarHBondContact O-N 3.14Å; L891-W895 WeakPolarHBondContact O-CB 3.23Å; L891-W895 VanDerWaalsContact O-CD1 3.28Å; L891-W895 PolarHBondContact O-N 3.42Å
892	S	92.8	Very high	87.1	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.6	-35.7	-179.6	-59.5	0	0	0	0	112.6	L888 G889 I894 W895 S896 A938 N942	L888-S892 VanDerWaalsContact O-CB 3.24Å; L888-S892 WeakPolarHBondContact O-CB 3.41Å; L888-S892 PolarHBondContact O-N 3.41Å; L888-S892 PolarHBondContact O-OG 2.84Å; G889-S892 PolarHBondContact O-N 2.99Å; G889-S892 VanDerWaalsContact O-N 3.15Å; S892-I894 VanDerWaalsContact C-N 3.28Å; S892-I894 PolarHBondContact O-N 2.72Å; S892-W895 PolarHBondContact O-N 2.87Å; S892-S896 WeakPolarHBondContact O-CB 3.44Å; S892-S896 PolarHBondContact O-N 2.68Å; S892-S896 PolarHBondContact O-OG 3.17Å; S892-S896 VanDerWaalsContact O-OG 3.07Å; S892-A938 WeakPolarHBondContact CB-O 3.33Å; S892-N942 WeakPolarHBondContact OG-CA 3.38Å; S892-N942 WeakPolarHBondContact OG-CB 3.29Å; S892-N942 PolarHBondContact OG-N 3.34Å; S892-N942 VanDerWaalsContact OG-N 3.16Å
893	L	84.5	Confident	85.7	Confident	88 Å²	88	24.5 Å²	24.5	46%	0.461	13%	0.128	S	C	.	.	H	α-helix	trans	-60.5	-38.5	174.2	-72.3	168	0	0	0	111.8	G889 N890 L891 Y897 A938	G889-L893 WeakPolarHBondContact O-CG 3.02Å; G889-L893 PolarHBondContact O-N 3.24Å; N890-L893 PolarHBondContact O-N 3.24Å; L891-L893 VanDerWaalsContact C-N 3.35Å; L891-L893 PolarHBondContact O-N 3.32Å; L893-Y897 WeakPolarHBondContact O-CD1 3.49Å; L893-A938 HydrophobicContact CD2-CB 3.79Å; L893-A938 HydrophobicContact CG-CB 4.41Å
894	I	87.3	Confident	83.6	Confident	16 Å²	16	24 Å²	24	8%	0.082	14%	0.136	C	C	.	.	H	α-helix	trans	-77.6	-40.2	179.8	-61.4	166.2	0	0	0	111.9	R778 K817 M886 N890 L891 S892 Y897 T898	R778-I894 HydrophobicContact CB-CD1 4.08Å; K817-I894 HydrophobicContact CD-CG2 3.76Å; M886-I894 HydrophobicContact CE-CD1 3.39Å; N890-I894 WeakPolarHBondContact O-CG1 3.31Å; N890-I894 PolarHBondContact O-N 3.38Å; L891-I894 PolarHBondContact O-N 3.14Å; S892-I894 VanDerWaalsContact C-N 3.28Å; S892-I894 PolarHBondContact O-N 2.72Å; I894-Y897 HydrophobicContact CG2-CE1 4.4Å; I894-Y897 WeakPolarHBondContact O-CD1 3.49Å; I894-Y897 WeakPolarHBondContact O-CE1 3.37Å; I894-Y897 VanDerWaalsContact O-CZ 3.27Å; I894-T898 PolarHBondContact O-OG1 3Å
895	W	92.3	Very high	81.3	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-89.8	-21.7	-171	-78.3	99.2	0	0	0	113.7	Y777 L816 K817 F820 L870 L874 L891 S892 Y897 T898 L899 L941	Y777-W895 AromaticContact CD1-CZ2 3.69Å; Y777-W895 HydrophobicContact CD1-CZ2 3.69Å; Y777-W895 AromaticContact CD1-NE1 3.86Å; Y777-W895 AromaticContact CD2-NE1 3.82Å; Y777-W895 HydrophobicContact CE1-CH2 4.25Å; Y777-W895 AromaticContact CE1-CZ2 3.32Å; Y777-W895 HydrophobicContact CE1-CZ2 3.32Å; Y777-W895 HydrophobicContact CE2-CZ2 4.3Å; Y777-W895 HydrophobicContact CG-CZ2 4.35Å; Y777-W895 AromaticContact CG-NE1 3.67Å; Y777-W895 AromaticContact CZ-CZ2 3.63Å; L816-W895 HydrophobicContact CD2-CH2 3.98Å; L816-W895 HydrophobicContact CD2-CZ2 4.39Å; L816-W895 HydrophobicContact CG-CH2 4.02Å; K817-W895 HydrophobicContact CG-CH2 4.06Å; K817-W895 HydrophobicContact CG-CZ2 4.21Å; K817-W895 HydrophobicContact CG-CZ3 4.25Å; F820-W895 HydrophobicContact CD2-CH2 4.34Å; F820-W895 AromaticContact CD2-CZ3 3.77Å; F820-W895 HydrophobicContact CD2-CZ3 3.77Å; F820-W895 HydrophobicContact CE2-CH2 4.4Å; F820-W895 HydrophobicContact CE2-CZ3 4.11Å; L870-W895 HydrophobicContact CD1-CH2 3.69Å; L870-W895 HydrophobicContact CD1-CZ2 3.94Å; L870-W895 HydrophobicContact CD1-CZ3 4.12Å; L870-W895 HydrophobicContact CD2-CD2 4.5Å; L870-W895 HydrophobicContact CD2-CE3 3.79Å; L870-W895 HydrophobicContact CD2-CH2 4.02Å; L870-W895 HydrophobicContact CD2-CZ3 3.55Å; L870-W895 HydrophobicContact CG-CH2 4.45Å; L870-W895 HydrophobicContact CG-CZ3 4.4Å; L874-W895 HydrophobicContact CD1-CB 3.98Å; L874-W895 HydrophobicContact CD1-CD2 4.27Å; L874-W895 HydrophobicContact CD1-CG 3.7Å; L874-W895 HydrophobicContact CD2-CD2 4.34Å; L874-W895 HydrophobicContact CD2-CG 4.17Å; L874-W895 HydrophobicContact CD2-CZ2 4.28Å; L891-W895 WeakPolarHBondContact O-CB 3.23Å; L891-W895 VanDerWaalsContact O-CD1 3.28Å; L891-W895 PolarHBondContact O-N 3.42Å; S892-W895 PolarHBondContact O-N 2.87Å; W895-Y897 PolarHBondContact O-N 3.35Å; W895-T898 HydrophobicContact CE3-CG2 3.77Å; W895-T898 HydrophobicContact CZ3-CG2 3.82Å; W895-T898 PolarHBondContact O-N 3.1Å; W895-T898 VanDerWaalsContact O-N 3.12Å; W895-L899 HydrophobicContact CB-CD1 4.21Å; W895-L899 HydrophobicContact CE3-CD1 4.16Å; W895-L899 HydrophobicContact CE3-CD2 3.92Å; W895-L899 HydrophobicContact CE3-CG 3.97Å; W895-L899 HydrophobicContact CZ3-CD2 4.13Å; W895-L899 WeakPolarHBondContact O-CB 3.41Å; W895-L899 VanDerWaalsContact O-CG 3.28Å; W895-L899 WeakPolarHBondContact O-CG 3.25Å; W895-L899 PolarHBondContact O-N 3.14Å; W895-L941 HydrophobicContact CB-CD2 3.64Å
896	S	88.8	Confident	78.8	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.014	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-47.5	-179.6	60.4	0	0	0	0	112.3	S892 T898 L899 F900 Q937 A938	S892-S896 WeakPolarHBondContact O-CB 3.44Å; S892-S896 PolarHBondContact O-N 2.68Å; S892-S896 PolarHBondContact O-OG 3.17Å; S892-S896 VanDerWaalsContact O-OG 3.07Å; S896-T898 PolarHBondContact O-N 3.41Å; S896-L899 PolarHBondContact O-N 3.47Å; S896-F900 WeakPolarHBondContact O-CB 3.44Å; S896-F900 VanDerWaalsContact O-CD2 3.26Å; S896-F900 WeakPolarHBondContact O-CD2 3.49Å; S896-F900 PolarHBondContact O-N 3.34Å; S896-Q937 VanDerWaalsContact CB-C 3.48Å; S896-A938 VanDerWaalsContact CB-CA 3.48Å; S896-A938 VanDerWaalsContact CB-N 3.32Å
897	Y	79.3	Confident	76.1	Confident	22 Å²	22	39.6 Å²	39.6	9%	0.086	23%	0.228	C	C	.	.	H	α-helix	trans	-68.5	-20.6	178.5	72.4	-104	0	0	0	113.4	Y597 E649 Q821 L893 I894 W895	Y597-Y897 WeakPolarHBondContact OH-CE2 3.39Å; E649-Y897 WeakPolarHBondContact OE2-CE1 3.31Å; E649-Y897 PolarHBondContact OE2-OH 3.01Å; Q821-Y897 VanDerWaalsContact NE2-CE2 3.32Å; L893-Y897 WeakPolarHBondContact O-CD1 3.49Å; I894-Y897 HydrophobicContact CG2-CE1 4.4Å; I894-Y897 WeakPolarHBondContact O-CD1 3.49Å; I894-Y897 WeakPolarHBondContact O-CE1 3.37Å; I894-Y897 VanDerWaalsContact O-CZ 3.27Å; W895-Y897 PolarHBondContact O-N 3.35Å
898	T	87.2	Confident	73.3	Confident	3 Å²	3	48 Å²	48	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-85.4	-32.5	-179	-67.3	0	0	0	0	111.6	K817 F820 Q821 I894 W895 S896	K817-T898 HydrophobicContact CB-CG2 4.25Å; K817-T898 WeakPolarHBondContact O-CG2 3.41Å; F820-T898 HydrophobicContact CB-CG2 3.67Å; Q821-T898 HydrophobicContact CG-CG2 4.18Å; Q821-T898 PolarHBondContact NE2-OG1 2.85Å; I894-T898 PolarHBondContact O-OG1 3Å; W895-T898 HydrophobicContact CE3-CG2 3.77Å; W895-T898 HydrophobicContact CZ3-CG2 3.82Å; W895-T898 PolarHBondContact O-N 3.1Å; W895-T898 VanDerWaalsContact O-N 3.12Å; S896-T898 PolarHBondContact O-N 3.41Å
899	L	92.2	Very high	70.3	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-102.1	-28.4	-172.2	-58.1	178.5	0	0	0	114	F820 L827 I828 F867 L870 W895 S896 L941	F820-L899 HydrophobicContact CB-CD2 4.15Å; F820-L899 HydrophobicContact CD1-CD2 3.98Å; F820-L899 HydrophobicContact CD2-CD2 4.21Å; F820-L899 HydrophobicContact CE1-CD2 4.46Å; F820-L899 HydrophobicContact CG-CD2 3.85Å; L827-L899 HydrophobicContact CB-CD2 4.45Å; L827-L899 HydrophobicContact CD2-CD2 3.82Å; L827-L899 PolarHBondContact N-O 3.26Å; I828-L899 PolarHBondContact N-O 2.88Å; F867-L899 HydrophobicContact CD2-CD1 4.45Å; F867-L899 HydrophobicContact CE2-CD1 4.38Å; L870-L899 HydrophobicContact CD2-CD1 3.71Å; L870-L899 HydrophobicContact CD2-CD2 3.52Å; L870-L899 HydrophobicContact CD2-CG 4.2Å; W895-L899 HydrophobicContact CB-CD1 4.21Å; W895-L899 HydrophobicContact CE3-CD1 4.16Å; W895-L899 HydrophobicContact CE3-CD2 3.92Å; W895-L899 HydrophobicContact CE3-CG 3.97Å; W895-L899 HydrophobicContact CZ3-CD2 4.13Å; W895-L899 WeakPolarHBondContact O-CB 3.41Å; W895-L899 VanDerWaalsContact O-CG 3.28Å; W895-L899 WeakPolarHBondContact O-CG 3.25Å; W895-L899 PolarHBondContact O-N 3.14Å; S896-L899 PolarHBondContact O-N 3.47Å; L899-L941 HydrophobicContact CD1-CD2 4.41Å
900	F	90	Very high	67.4	Low	1 Å²	1	58 Å²	58	0%	0.004	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-98.8	155.2	-175.1	-66.6	-111	0	0	0	111.6	I828 T833 L836 S896 Q937 V940 L941	I828-F900 HydrophobicContact CB-CD1 4.17Å; I828-F900 HydrophobicContact CB-CE1 4.44Å; I828-F900 HydrophobicContact CB-CG 4.34Å; I828-F900 HydrophobicContact CG1-CE1 4.49Å; I828-F900 HydrophobicContact CG1-CZ 4.45Å; I828-F900 HydrophobicContact CG2-CD1 3.93Å; I828-F900 HydrophobicContact CG2-CE1 4.04Å; T833-F900 HydrophobicContact CG2-CD1 3.92Å; L836-F900 HydrophobicContact CD1-CE1 3.96Å; S896-F900 WeakPolarHBondContact O-CB 3.44Å; S896-F900 VanDerWaalsContact O-CD2 3.26Å; S896-F900 WeakPolarHBondContact O-CD2 3.49Å; S896-F900 PolarHBondContact O-N 3.34Å; F900-Q937 HydrophobicContact CB-CB 4.39Å; F900-Q937 HydrophobicContact CB-CG 4.08Å; F900-Q937 HydrophobicContact CD1-CG 4.42Å; F900-Q937 HydrophobicContact CG-CB 4.27Å; F900-Q937 HydrophobicContact CG-CG 4.33Å; F900-V940 HydrophobicContact CE1-CG1 3.89Å; F900-V940 HydrophobicContact CZ-CG1 4.01Å; F900-L941 HydrophobicContact CE2-CB 3.96Å; F900-L941 HydrophobicContact CE2-CD1 4.27Å; F900-L941 HydrophobicContact CE2-CD2 4.35Å; F900-L941 HydrophobicContact CE2-CG 4.43Å; F900-L941 HydrophobicContact CZ-CB 4.23Å
901	E	78.5	Confident	64.7	Low	51 Å²	51	66.1 Å²	66.1	24%	0.238	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-75.5	127.8	174.1	-168.9	137.4	-137.5	0	0	112.1	R718 S826 I828 H830 F933 Q937	R718-E901 IonicContact NH1-OE1 3.38Å; R718-E901 PolarHBondContact NH1-OE1 3.09Å; S826-E901 WeakPolarHBondContact OG-CA 3.37Å; S826-E901 VanDerWaalsContact OG-CB 3.3Å; S826-E901 WeakPolarHBondContact OG-CB 3.49Å; S826-E901 PolarHBondContact OG-N 3.42Å; I828-E901 PolarHBondContact O-N 3.38Å; H830-E901 HydrophobicContact CB-CB 4.11Å; H830-E901 HydrophobicContact CB-CG 4Å; H830-E901 VanDerWaalsContact CB-OE2 3.22Å; H830-E901 WeakPolarHBondContact CB-OE2 3.28Å; H830-E901 PolarHBondContact N-OE2 3.49Å; E901-F933 WeakPolarHBondContact O-CE1 3.48Å; E901-Q937 PolarHBondContact O-NE2 3.24Å
902	C	64.5	Low	61.6	Low	26 Å²	26	74.3 Å²	74.3	18%	0.176	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-83.8	118	167.5	-76.3	0	0	0	0	110.1	S904	C902-S904 PolarHBondContact O-N 3.3Å
903	S	55.5	Low	58.5	Low	48 Å²	48	81.4 Å²	81.4	34%	0.336	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-68.9	126.1	176	60.6	0	0	0	0	111.5
904	S	45.6	Very low	56	Low	88 Å²	88	86.4 Å²	86.4	62%	0.615	47%	0.467	S	S	*	.			trans	-111.1	7	173.3	54.7	0	0	0	0	115.5	C902	C902-S904 PolarHBondContact O-N 3.3Å
905	E	41.1	Very low	53.1	Low	160 Å²	160	94.3 Å²	94.3	75%	0.748	50%	0.503	S	S	*	.			trans	-132.2	3.8	-160.2	-66.7	-168.1	168.8	0	0	119.5	T907	E905-T907 PolarHBondContact O-N 2.99Å
906	T	32.2	Very low	50.1	Low	124 Å²	124	100.1 Å²	100.1	76%	0.761	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	23.2	-175.4	-33.2	0	0	0	0	115.9
907	T	32.1	Very low	47.3	Very low	136 Å²	136	109.2 Å²	109.2	83%	0.834	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.3	25.9	174.6	-23.7	0	0	0	0	115	E905	E905-T907 PolarHBondContact O-N 2.99Å
908	Q	32.2	Very low	45	Very low	194 Å²	194	116.8 Å²	116.8	91%	0.907	62%	0.62	S	S	*	*	S	Bend	trans	-122.1	2	176.5	-71.3	-170.4	6.3	0	0	115.2
909	S	29.3	Very low	42.3	Very low	100 Å²	100	118 Å²	118	70%	0.699	63%	0.634	S	S	*	*	S	Bend	trans	-138.4	39.3	-172.5	53.4	0	0	0	0	114.4
910	T	28.3	Very low	39.6	Very low	134 Å²	134	123.7 Å²	123.7	82%	0.822	67%	0.671	S	S	*	*	S	Bend	trans	-158.6	129.2	152.2	-24.2	0	0	0	0	110.1
911	E	32.4	Very low	37.2	Very low	194 Å²	194	128.4 Å²	128.4	91%	0.907	70%	0.704	S	S	*	*			trans	96.8	111.7	175.4	-54.5	-172.7	177.6	0	0	116.9
912	M	27.7	Very low	35.4	Very low	172 Å²	172	129.7 Å²	129.7	85%	0.847	72%	0.718	S	S	*	*			trans	-84.9	154.2	-172	-60.1	169	67.2	0	0	111.2
913	N	27	Very low	34.4	Very low	149 Å²	149	135.5 Å²	135.5	80%	0.797	74%	0.741	S	S	*	*			trans	75.4	103.4	170.9	-61.9	-20.9	0	0	0	116.7
914	E	31.8	Very low	33.7	Very low	192 Å²	192	136.6 Å²	136.6	90%	0.897	74%	0.742	S	S	*	*				-179.7	138.2	103.5	-96	178.3	179.7	0	0	112.3
915	Q	26.9	Very low	33.8	Very low	182 Å²	182	136.9 Å²	136.9	85%	0.85	73%	0.734	S	S	*	*			trans	-62.9	128.2	172.2	-64.4	161.8	-19.3	0	0	109.4
916	T	30	Very low	34.3	Very low	123 Å²	123	132.7 Å²	132.7	76%	0.755	72%	0.719	S	S	*	*			trans	171.3	125.6	132.8	39	0	0	0	0	114.9
917	K	30.2	Very low	35.2	Very low	193 Å²	193	128.1 Å²	128.1	84%	0.839	69%	0.694	S	S	*	*			trans	73.2	101.5	139.7	-64	175.8	-179.1	178.5	0	120	G919	K917-G919 PolarHBondContact O-N 3.37Å
918	N	30.3	Very low	36.1	Very low	180 Å²	180	123 Å²	123	96%	0.963	66%	0.661	S	S	*	*			trans	-55.5	110.7	155.2	-65.9	-28.5	0	0	0	110.6
919	G	31.2	Very low	37.5	Very low	30 Å²	30	117.7 Å²	117.7	31%	0.309	64%	0.638	S	S	.	*			trans	-142.1	157.4	171.5	0	0	0	0	0	110.8	K917 S921 S922	K917-G919 PolarHBondContact O-N 3.37Å; G919-S921 PolarHBondContact O-N 2.93Å; G919-S922 PolarHBondContact O-N 3.36Å
920	P	34.7	Very low	39.1	Very low	121 Å²	121	114.5 Å²	114.5	79%	0.786	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-15.2	-176.8	19.9	-30.8	0	0	0	114.6	S922	P920-S922 VanDerWaalsContact C-N 3.33Å; P920-S922 PolarHBondContact O-N 3.47Å
921	S	39.4	Very low	40.6	Very low	100 Å²	100	109.5 Å²	109.5	70%	0.699	58%	0.584	S	S	*	*	H	α-helix	trans	-65.5	-23.3	179.4	-31.1	0	0	0	0	115.2	G919	G919-S921 PolarHBondContact O-N 2.93Å
922	S	41.1	Very low	42.3	Very low	77 Å²	77	102 Å²	102	54%	0.538	56%	0.555	S	S	.	*	H	α-helix	trans	-79.1	-30.6	-176.3	68.1	0	0	0	0	114.1	G919 P920 T926	G919-S922 PolarHBondContact O-N 3.36Å; P920-S922 VanDerWaalsContact C-N 3.33Å; P920-S922 PolarHBondContact O-N 3.47Å; S922-T926 PolarHBondContact O-OG1 3.31Å
923	K	43.3	Very low	44.5	Very low	149 Å²	149	95.8 Å²	95.8	65%	0.648	52%	0.524	S	S	*	.	H	α-helix	trans	-69.1	-39.5	179.3	-69.7	-170	177.1	-172.8	0	111.7	H925 T926 A927	K923-H925 PolarHBondContact O-N 2.92Å; K923-T926 PolarHBondContact O-N 3.17Å; K923-A927 PolarHBondContact O-N 3.45Å
924	L	41.3	Very low	46.6	Very low	70 Å²	70	89.9 Å²	89.9	37%	0.366	49%	0.494	S	S	.	.	H	α-helix	trans	-63.9	-41.7	-179.2	-154.9	113.4	0	0	0	111.7	E592 T926 A927 E928	E592-L924 WeakPolarHBondContact OE2-CD1 3.39Å; E592-L924 WeakPolarHBondContact OE2-CD2 3.44Å; L924-T926 VanDerWaalsContact C-N 3.27Å; L924-T926 PolarHBondContact O-N 3.4Å; L924-A927 PolarHBondContact O-N 3.35Å; L924-E928 WeakPolarHBondContact O-CG 3.26Å; L924-E928 PolarHBondContact O-N 2.95Å
925	H	47.7	Very low	48.7	Very low	94 Å²	94	86.3 Å²	86.3	44%	0.435	48%	0.476	S	S	.	.	H	α-helix	trans	-61	-35.5	176.8	-165.5	53.7	0	0	0	113	K923 E928 I929	K923-H925 PolarHBondContact O-N 2.92Å; H925-E928 IonicContact ND1-OE2 3.87Å; H925-E928 PolarHBondContact O-N 3.32Å; H925-I929 WeakPolarHBondContact O-CG1 3.38Å; H925-I929 PolarHBondContact O-N 3.02Å; H925-I929 VanDerWaalsContact O-N 3.1Å
926	T	51.7	Low	51.5	Low	72 Å²	72	81.2 Å²	81.2	44%	0.442	45%	0.452	S	S	.	.	H	α-helix	trans	-67.8	-45.6	178.6	-52.7	0	0	0	0	111.2	V711 S922 K923 L924 E928 I929 Q930	V711-T926 HydrophobicContact CG2-CG2 4.12Å; S922-T926 PolarHBondContact O-OG1 3.31Å; K923-T926 PolarHBondContact O-N 3.17Å; L924-T926 VanDerWaalsContact C-N 3.27Å; L924-T926 PolarHBondContact O-N 3.4Å; T926-E928 VanDerWaalsContact C-N 3.32Å; T926-E928 PolarHBondContact O-N 2.83Å; T926-I929 PolarHBondContact O-N 3.34Å; T926-Q930 WeakPolarHBondContact O-CB 3.43Å; T926-Q930 PolarHBondContact O-N 2.76Å
927	A	50.6	Low	54.3	Low	29 Å²	29	75.3 Å²	75.3	24%	0.24	42%	0.416	C	S	.	.	H	α-helix	trans	-62.9	-38.5	177.1	0	0	0	0	0	112.1	K923 L924 Q930 A931	K923-A927 PolarHBondContact O-N 3.45Å; L924-A927 PolarHBondContact O-N 3.35Å; A927-Q930 PolarHBondContact O-N 3.07Å; A927-A931 WeakPolarHBondContact O-CB 3.4Å; A927-A931 PolarHBondContact O-N 2.87Å
928	E	51.4	Low	57	Low	29 Å²	29	66.4 Å²	66.4	14%	0.136	38%	0.378	C	S	.	.	H	α-helix	trans	-64.4	-45.9	176.5	-72.8	-178	152.1	0	0	113.1	L924 H925 T926 Q930 A931 A932	L924-E928 WeakPolarHBondContact O-CG 3.26Å; L924-E928 PolarHBondContact O-N 2.95Å; H925-E928 IonicContact ND1-OE2 3.87Å; H925-E928 PolarHBondContact O-N 3.32Å; T926-E928 VanDerWaalsContact C-N 3.32Å; T926-E928 PolarHBondContact O-N 2.83Å; E928-Q930 VanDerWaalsContact C-N 3.29Å; E928-Q930 PolarHBondContact O-N 2.87Å; E928-A931 PolarHBondContact O-N 3.23Å; E928-A932 PolarHBondContact O-N 3.22Å
929	I	61	Low	59.8	Low	81 Å²	81	61.7 Å²	61.7	42%	0.415	35%	0.349	S	S	.	.	H	α-helix	trans	-60.7	-44	176.7	-69.5	167.8	0	0	0	109.6	H925 T926 A932 F933	H925-I929 WeakPolarHBondContact O-CG1 3.38Å; H925-I929 PolarHBondContact O-N 3.02Å; H925-I929 VanDerWaalsContact O-N 3.1Å; T926-I929 PolarHBondContact O-N 3.34Å; I929-A932 PolarHBondContact O-N 3.44Å; I929-F933 WeakPolarHBondContact O-CB 3.47Å; I929-F933 PolarHBondContact O-N 3.21Å
930	Q	62.2	Low	62.8	Low	33 Å²	33	60.4 Å²	60.4	15%	0.154	34%	0.335	C	S	.	.	H	α-helix	trans	-62	-45.6	178.4	-175.8	165.8	-11.3	0	0	111.7	Q710 T926 A927 E928 A932 F933 S934	Q710-Q930 VanDerWaalsContact OE1-CD 3.28Å; T926-Q930 WeakPolarHBondContact O-CB 3.43Å; T926-Q930 PolarHBondContact O-N 2.76Å; A927-Q930 PolarHBondContact O-N 3.07Å; E928-Q930 VanDerWaalsContact C-N 3.29Å; E928-Q930 PolarHBondContact O-N 2.87Å; Q930-A932 VanDerWaalsContact C-N 3.34Å; Q930-A932 PolarHBondContact O-N 3.37Å; Q930-F933 PolarHBondContact O-N 3.37Å; Q930-S934 PolarHBondContact O-N 3.33Å; Q930-S934 PolarHBondContact O-OG 3.25Å
931	A	61.5	Low	65.6	Low	29 Å²	29	54.7 Å²	54.7	24%	0.24	30%	0.298	C	S	.	.	H	α-helix	trans	-61.1	-40.9	176.6	0	0	0	0	0	112.5	A927 E928 S934 F935	A927-A931 WeakPolarHBondContact O-CB 3.4Å; A927-A931 PolarHBondContact O-N 2.87Å; E928-A931 PolarHBondContact O-N 3.23Å; A931-S934 PolarHBondContact O-N 2.9Å; A931-F935 PolarHBondContact O-N 3.09Å
932	A	66.5	Low	68.3	Low	36 Å²	36	51.2 Å²	51.2	30%	0.298	27%	0.271	S	S	.	.	H	α-helix	trans	-64.5	-40.2	176.1	0	0	0	0	0	112	E928 I929 Q930 F935 Q936	E928-A932 PolarHBondContact O-N 3.22Å; I929-A932 PolarHBondContact O-N 3.44Å; Q930-A932 VanDerWaalsContact C-N 3.34Å; Q930-A932 PolarHBondContact O-N 3.37Å; A932-F935 PolarHBondContact O-N 3.23Å; A932-Q936 PolarHBondContact O-N 2.86Å
933	F	74.1	Confident	70.8	Confident	43 Å²	43	48.6 Å²	48.6	19%	0.189	25%	0.253	C	S	.	.	H	α-helix	trans	-65.8	-46.2	176.2	-166.7	-104.8	0	0	0	111.7	T833 L837 E901 I929 Q930 F935 Q936 Q937	T833-F933 HydrophobicContact CG2-CZ 4.22Å; L837-F933 HydrophobicContact CD1-CE2 4.07Å; L837-F933 HydrophobicContact CD1-CZ 4.3Å; E901-F933 WeakPolarHBondContact O-CE1 3.48Å; I929-F933 WeakPolarHBondContact O-CB 3.47Å; I929-F933 PolarHBondContact O-N 3.21Å; Q930-F933 PolarHBondContact O-N 3.37Å; F933-F935 VanDerWaalsContact C-N 3.26Å; F933-F935 PolarHBondContact O-N 2.9Å; F933-Q936 PolarHBondContact O-N 3.35Å; F933-Q937 HydrophobicContact CD1-CG 4.3Å; F933-Q937 HydrophobicContact CE1-CG 4.22Å; F933-Q937 WeakPolarHBondContact O-CG 3.43Å; F933-Q937 PolarHBondContact O-N 3.32Å
934	S	71.1	Confident	73.3	Confident	25 Å²	25	41.5 Å²	41.5	18%	0.175	22%	0.222	C	C	.	.	H	α-helix	trans	-57.9	-37.2	175.1	-60.9	0	0	0	0	112.7	Q930 A931 Q937 A938	Q930-S934 PolarHBondContact O-N 3.33Å; Q930-S934 PolarHBondContact O-OG 3.25Å; A931-S934 PolarHBondContact O-N 2.9Å; S934-Q937 PolarHBondContact O-N 3.22Å; S934-A938 WeakPolarHBondContact O-CB 3.48Å; S934-A938 PolarHBondContact O-N 3.28Å
935	F	77.1	Confident	75.9	Confident	117 Å²	117	38.2 Å²	38.2	51%	0.513	21%	0.205	S	C	.	.	H	α-helix	trans	-64.2	-40.4	175.2	-176.8	-94.8	0	0	0	112.2	A931 A932 F933 A938 K939	A931-F935 PolarHBondContact O-N 3.09Å; A932-F935 PolarHBondContact O-N 3.23Å; F933-F935 VanDerWaalsContact C-N 3.26Å; F933-F935 PolarHBondContact O-N 2.9Å; F935-A938 WeakPolarHBondContact O-CB 3.45Å; F935-A938 PolarHBondContact O-N 3.21Å; F935-K939 PolarHBondContact O-N 3.15Å
936	Q	84.5	Confident	78.1	Confident	74 Å²	74	40 Å²	40	35%	0.346	21%	0.208	S	C	.	.	H	α-helix	trans	-67.2	-40.1	175.8	-64.6	-64.7	-10.2	0	0	111.8	L837 A932 F933 A938 K939 V940	L837-Q936 HydrophobicContact CD2-CB 3.52Å; A932-Q936 PolarHBondContact O-N 2.86Å; F933-Q936 PolarHBondContact O-N 3.35Å; Q936-A938 VanDerWaalsContact C-N 3.29Å; Q936-A938 PolarHBondContact O-N 3.4Å; Q936-K939 WeakPolarHBondContact O-CB 3.36Å; Q936-K939 PolarHBondContact O-N 3.16Å; Q936-V940 WeakPolarHBondContact O-CG2 3.49Å; Q936-V940 PolarHBondContact O-N 3.26Å
937	Q	88.8	Confident	80.1	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.7	-39.8	172.2	-64.1	173	-30	0	0	111.7	T833 S896 F900 E901 F933 S934 V940 L941	T833-Q937 HydrophobicContact CG2-CG 4.32Å; S896-Q937 VanDerWaalsContact CB-C 3.48Å; F900-Q937 HydrophobicContact CB-CB 4.39Å; F900-Q937 HydrophobicContact CB-CG 4.08Å; F900-Q937 HydrophobicContact CD1-CG 4.42Å; F900-Q937 HydrophobicContact CG-CB 4.27Å; F900-Q937 HydrophobicContact CG-CG 4.33Å; E901-Q937 PolarHBondContact O-NE2 3.24Å; F933-Q937 HydrophobicContact CD1-CG 4.3Å; F933-Q937 HydrophobicContact CE1-CG 4.22Å; F933-Q937 WeakPolarHBondContact O-CG 3.43Å; F933-Q937 PolarHBondContact O-N 3.32Å; S934-Q937 PolarHBondContact O-N 3.22Å; Q937-V940 WeakPolarHBondContact O-CB 3.48Å; Q937-V940 PolarHBondContact O-N 2.95Å; Q937-L941 PolarHBondContact O-N 3.3Å
938	A	87.7	Confident	82.2	Confident	5 Å²	5	36.5 Å²	36.5	4%	0.041	18%	0.182	C	C	.	.	H	α-helix	trans	-63.7	-40.5	174.9	0	0	0	0	0	112	S892 L893 S896 S934 F935 Q936 V940 L941 N942	S892-A938 WeakPolarHBondContact CB-O 3.33Å; L893-A938 HydrophobicContact CD2-CB 3.79Å; L893-A938 HydrophobicContact CG-CB 4.41Å; S896-A938 VanDerWaalsContact CB-CA 3.48Å; S896-A938 VanDerWaalsContact CB-N 3.32Å; S934-A938 WeakPolarHBondContact O-CB 3.48Å; S934-A938 PolarHBondContact O-N 3.28Å; F935-A938 WeakPolarHBondContact O-CB 3.45Å; F935-A938 PolarHBondContact O-N 3.21Å; Q936-A938 VanDerWaalsContact C-N 3.29Å; Q936-A938 PolarHBondContact O-N 3.4Å; A938-V940 VanDerWaalsContact C-N 3.32Å; A938-V940 PolarHBondContact O-N 3.23Å; A938-L941 PolarHBondContact O-N 3.1Å; A938-N942 WeakPolarHBondContact O-CB 3.44Å; A938-N942 PolarHBondContact O-N 3.37Å
939	K	88.9	Confident	84.2	Confident	82 Å²	82	39 Å²	39	36%	0.357	19%	0.192	S	C	.	.	H	α-helix	trans	-58.7	-44.6	172.9	-177.6	-171.1	173.6	-168.9	0	110.9	V840 E841 F935 Q936 N942 C943	V840-K939 HydrophobicContact CG1-CG 4.36Å; E841-K939 IonicContact OE1-NZ 2.79Å; E841-K939 PolarHBondContact OE1-NZ 2.94Å; E841-K939 IonicContact OE2-NZ 3.15Å; E841-K939 PolarHBondContact OE2-NZ 3.01Å; F935-K939 PolarHBondContact O-N 3.15Å; Q936-K939 WeakPolarHBondContact O-CB 3.36Å; Q936-K939 PolarHBondContact O-N 3.16Å; K939-N942 PolarHBondContact O-N 3.44Å; K939-C943 WeakPolarHBondContact O-CB 3.17Å; K939-C943 PolarHBondContact O-N 3.09Å
940	V	93.5	Very high	85.7	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.012	20%	0.195	C	C	.	.	H	α-helix	trans	-61.6	-54.5	177.7	169.4	0	0	0	0	111.4	L836 L837 V840 F900 Q936 Q937 A938 N942 C943 I944	L836-V940 HydrophobicContact CB-CG1 3.66Å; L836-V940 HydrophobicContact CD1-CG1 4.26Å; L836-V940 HydrophobicContact CG-CG1 4.47Å; L837-V940 HydrophobicContact CB-CG2 4.47Å; L837-V940 HydrophobicContact CD2-CG2 3.52Å; L837-V940 HydrophobicContact CG-CG2 3.98Å; V840-V940 HydrophobicContact CB-CG2 4.26Å; V840-V940 HydrophobicContact CG2-CB 4.34Å; V840-V940 HydrophobicContact CG2-CG1 4.29Å; V840-V940 HydrophobicContact CG2-CG2 4.01Å; F900-V940 HydrophobicContact CE1-CG1 3.89Å; F900-V940 HydrophobicContact CZ-CG1 4.01Å; Q936-V940 WeakPolarHBondContact O-CG2 3.49Å; Q936-V940 PolarHBondContact O-N 3.26Å; Q937-V940 WeakPolarHBondContact O-CB 3.48Å; Q937-V940 PolarHBondContact O-N 2.95Å; A938-V940 VanDerWaalsContact C-N 3.32Å; A938-V940 PolarHBondContact O-N 3.23Å; V940-N942 VanDerWaalsContact C-N 3.28Å; V940-N942 PolarHBondContact O-N 3.27Å; V940-C943 VanDerWaalsContact O-CB 3.3Å; V940-C943 WeakPolarHBondContact O-CB 3.32Å; V940-C943 PolarHBondContact O-N 2.73Å; V940-C943 VanDerWaalsContact O-N 3.09Å; V940-I944 HydrophobicContact CG1-CD1 3.94Å; V940-I944 WeakPolarHBondContact O-CG1 3.38Å; V940-I944 PolarHBondContact O-N 2.94Å
941	L	95	Very high	87	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-40.8	-179.5	-177.9	57.1	0	0	0	111.6	F867 W895 L899 F900 Q937 A938 C943 I944 L945	F867-L941 HydrophobicContact CE2-CD1 4.13Å; F867-L941 HydrophobicContact CZ-CD1 4.21Å; W895-L941 HydrophobicContact CB-CD2 3.64Å; L899-L941 HydrophobicContact CD1-CD2 4.41Å; F900-L941 HydrophobicContact CE2-CB 3.96Å; F900-L941 HydrophobicContact CE2-CD1 4.27Å; F900-L941 HydrophobicContact CE2-CD2 4.35Å; F900-L941 HydrophobicContact CE2-CG 4.43Å; F900-L941 HydrophobicContact CZ-CB 4.23Å; Q937-L941 PolarHBondContact O-N 3.3Å; A938-L941 PolarHBondContact O-N 3.1Å; L941-C943 VanDerWaalsContact C-N 3.33Å; L941-C943 PolarHBondContact O-N 3.27Å; L941-I944 PolarHBondContact O-N 3.17Å; L941-L945 HydrophobicContact CD1-CD1 4.13Å; L941-L945 HydrophobicContact CD1-CD2 4.43Å; L941-L945 HydrophobicContact CD1-CG 4.02Å; L941-L945 HydrophobicContact CG-CD1 3.98Å; L941-L945 HydrophobicContact CG-CG 4.3Å; L941-L945 WeakPolarHBondContact O-CB 3.19Å; L941-L945 VanDerWaalsContact O-CG 3.27Å; L941-L945 WeakPolarHBondContact O-CG 3.34Å; L941-L945 PolarHBondContact O-N 3.38Å
942	N	94.4	Very high	88.4	Confident	28 Å²	28	43.3 Å²	43.3	15%	0.15	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-40.7	176.8	-165.4	-26	0	0	0	112	G889 S892 A938 K939 V940 R946	G889-N942 WeakPolarHBondContact CA-ND2 3.12Å; S892-N942 WeakPolarHBondContact OG-CA 3.38Å; S892-N942 WeakPolarHBondContact OG-CB 3.29Å; S892-N942 PolarHBondContact OG-N 3.34Å; S892-N942 VanDerWaalsContact OG-N 3.16Å; A938-N942 WeakPolarHBondContact O-CB 3.44Å; A938-N942 PolarHBondContact O-N 3.37Å; K939-N942 PolarHBondContact O-N 3.44Å; V940-N942 VanDerWaalsContact C-N 3.28Å; V940-N942 PolarHBondContact O-N 3.27Å; N942-R946 WeakPolarHBondContact O-CB 3.23Å; N942-R946 VanDerWaalsContact O-CG 3.25Å; N942-R946 WeakPolarHBondContact O-CG 3.4Å; N942-R946 PolarHBondContact O-N 3.27Å; N942-R946 WeakPolarHBondContact OD1-CD 3.49Å; N942-R946 PolarHBondContact OD1-NE 2.93Å
943	C	94.8	Very high	89.5	Confident	22 Å²	22	41.9 Å²	41.9	15%	0.149	21%	0.213	C	C	.	.	H	α-helix	trans	-59.2	-52.2	174.4	-169.5	0	0	0	0	110.9	V840 K939 V940 L941 L945 R946 S947	V840-C943 HydrophobicContact CG1-CB 4.12Å; V840-C943 HydrophobicContact CG2-CB 4.01Å; K939-C943 WeakPolarHBondContact O-CB 3.17Å; K939-C943 PolarHBondContact O-N 3.09Å; V940-C943 VanDerWaalsContact O-CB 3.3Å; V940-C943 WeakPolarHBondContact O-CB 3.32Å; V940-C943 PolarHBondContact O-N 2.73Å; V940-C943 VanDerWaalsContact O-N 3.09Å; L941-C943 VanDerWaalsContact C-N 3.33Å; L941-C943 PolarHBondContact O-N 3.27Å; C943-L945 PolarHBondContact O-N 2.87Å; C943-R946 PolarHBondContact O-N 3.41Å; C943-S947 PolarHBondContact O-N 3.43Å; C943-S947 PolarHBondContact O-OG 3.14Å
944	I	95.5	Very high	90	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-56.1	-52.6	178.5	-64	169.6	0	0	0	110.6	L836 I852 L856 F867 V940 L941 R946 S947 M948 L953	L836-I944 HydrophobicContact CD1-CD1 4.21Å; L836-I944 HydrophobicContact CD2-CD1 4.27Å; I852-I944 HydrophobicContact CG2-CD1 4.45Å; I852-I944 HydrophobicContact CG2-CG1 3.94Å; L856-I944 HydrophobicContact CD1-CG2 4.45Å; F867-I944 HydrophobicContact CE1-CG2 4.16Å; F867-I944 HydrophobicContact CZ-CD1 4.27Å; F867-I944 HydrophobicContact CZ-CG2 4.1Å; V940-I944 HydrophobicContact CG1-CD1 3.94Å; V940-I944 WeakPolarHBondContact O-CG1 3.38Å; V940-I944 PolarHBondContact O-N 2.94Å; L941-I944 PolarHBondContact O-N 3.17Å; I944-R946 VanDerWaalsContact C-N 3.33Å; I944-R946 PolarHBondContact O-N 2.88Å; I944-S947 PolarHBondContact O-N 3Å; I944-M948 HydrophobicContact CG2-CG 4.44Å; I944-M948 HydrophobicContact CG2-SD 4Å; I944-M948 WeakPolarHBondContact O-CG 3.07Å; I944-M948 PolarHBondContact O-N 3.48Å; I944-L953 HydrophobicContact CG2-CD2 3.91Å
945	L	95.8	Very high	90.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.4	-34.6	-177.4	-64.6	176.3	0	0	0	112.8	A871 L874 V875 L888 L941 C943 K949	A871-L945 HydrophobicContact CB-CD2 3.69Å; A871-L945 WeakPolarHBondContact O-CD2 3.38Å; L874-L945 HydrophobicContact CB-CD1 4.13Å; L874-L945 HydrophobicContact CB-CD2 4.26Å; L874-L945 HydrophobicContact CD1-CD1 4.05Å; V875-L945 HydrophobicContact CG2-CB 4.5Å; V875-L945 HydrophobicContact CG2-CD2 4.25Å; L888-L945 HydrophobicContact CD1-CB 4.12Å; L888-L945 HydrophobicContact CD2-CB 3.79Å; L888-L945 HydrophobicContact CD2-CD1 4.06Å; L888-L945 HydrophobicContact CD2-CG 4.49Å; L888-L945 HydrophobicContact CG-CB 4.43Å; L941-L945 HydrophobicContact CD1-CD1 4.13Å; L941-L945 HydrophobicContact CD1-CD2 4.43Å; L941-L945 HydrophobicContact CD1-CG 4.02Å; L941-L945 HydrophobicContact CG-CD1 3.98Å; L941-L945 HydrophobicContact CG-CG 4.3Å; L941-L945 WeakPolarHBondContact O-CB 3.19Å; L941-L945 VanDerWaalsContact O-CG 3.27Å; L941-L945 WeakPolarHBondContact O-CG 3.34Å; L941-L945 PolarHBondContact O-N 3.38Å; C943-L945 PolarHBondContact O-N 2.87Å; L945-K949 WeakPolarHBondContact O-CB 3.36Å; L945-K949 PolarHBondContact O-N 3.08Å
946	R	94.8	Very high	90.3	Very high	133 Å²	133	41.1 Å²	41.1	50%	0.502	22%	0.222	S	C	.	.	H	α-helix	trans	-68.2	-42.8	174.8	-77.5	-178.3	-173.1	-156.1	6.1	111.7	L888 N942 C943 I944 K949 S950	L888-R946 HydrophobicContact CD1-CB 4.43Å; L888-R946 HydrophobicContact CD1-CG 3.78Å; N942-R946 WeakPolarHBondContact O-CB 3.23Å; N942-R946 VanDerWaalsContact O-CG 3.25Å; N942-R946 WeakPolarHBondContact O-CG 3.4Å; N942-R946 PolarHBondContact O-N 3.27Å; N942-R946 WeakPolarHBondContact OD1-CD 3.49Å; N942-R946 PolarHBondContact OD1-NE 2.93Å; C943-R946 PolarHBondContact O-N 3.41Å; I944-R946 VanDerWaalsContact C-N 3.33Å; I944-R946 PolarHBondContact O-N 2.88Å; R946-K949 PolarHBondContact O-N 3.45Å; R946-S950 WeakPolarHBondContact O-CB 3.37Å; R946-S950 PolarHBondContact O-N 3.49Å; R946-S950 PolarHBondContact O-OG 2.76Å
947	S	94	Very high	89.5	Confident	4 Å²	4	41.1 Å²	41.1	3%	0.028	23%	0.23	C	C	.	.	H	α-helix	trans	-64.6	-41.1	176.5	-63.8	0	0	0	0	111.1	N849 C943 I944 S950 G951 K952 L953	N849-S947 PolarHBondContact ND2-OG 3.34Å; N849-S947 WeakPolarHBondContact OD1-CB 3.45Å; N849-S947 PolarHBondContact OD1-OG 3.08Å; C943-S947 PolarHBondContact O-N 3.43Å; C943-S947 PolarHBondContact O-OG 3.14Å; I944-S947 PolarHBondContact O-N 3Å; S947-S950 PolarHBondContact O-N 3.11Å; S947-S950 PolarHBondContact O-OG 2.98Å; S947-S950 VanDerWaalsContact O-OG 3.07Å; S947-G951 PolarHBondContact O-N 3.38Å; S947-K952 PolarHBondContact O-N 3.43Å; S947-L953 PolarHBondContact O-N 3.33Å
948	M	93.9	Very high	88.2	Confident	22 Å²	22	45.2 Å²	45.2	11%	0.108	25%	0.249	C	C	.	.	H	α-helix	trans	-62.7	-48.2	172.8	-70	179.3	73.4	0	0	112.2	N868 A871 V875 I944 S950 G951 L953 V955	N868-M948 VanDerWaalsContact OD1-CE 3.3Å; N868-M948 WeakPolarHBondContact OD1-CE 3.25Å; A871-M948 HydrophobicContact CB-CE 3.81Å; A871-M948 HydrophobicContact CB-SD 3.66Å; V875-M948 HydrophobicContact CG2-CB 4.42Å; I944-M948 HydrophobicContact CG2-CG 4.44Å; I944-M948 HydrophobicContact CG2-SD 4Å; I944-M948 WeakPolarHBondContact O-CG 3.07Å; I944-M948 PolarHBondContact O-N 3.48Å; M948-S950 VanDerWaalsContact C-N 3.25Å; M948-S950 PolarHBondContact O-N 2.55Å; M948-G951 PolarHBondContact O-N 2.96Å; M948-L953 HydrophobicContact CG-CB 4.42Å; M948-L953 HydrophobicContact CG-CD2 4.11Å; M948-L953 HydrophobicContact CG-CG 4.33Å; M948-V955 HydrophobicContact SD-CG2 4.37Å
949	K	92.3	Very high	86.6	Confident	81 Å²	81	50 Å²	50	35%	0.352	28%	0.282	S	S	.	.	H	α-helix	trans	-60.2	-33.9	179.5	-179.3	169	-173.2	150.9	0	113.2	V875 S878 N879 L888 L945 R946 G951	V875-K949 HydrophobicContact CG1-CB 3.85Å; V875-K949 HydrophobicContact CG1-CD 4.37Å; V875-K949 HydrophobicContact CG1-CG 3.97Å; V875-K949 HydrophobicContact CG2-CB 4.19Å; S878-K949 PolarHBondContact O-NZ 3.21Å; S878-K949 PolarHBondContact OG-NZ 3.24Å; N879-K949 WeakPolarHBondContact OD1-CE 3.48Å; N879-K949 PolarHBondContact OD1-NZ 3.33Å; L888-K949 HydrophobicContact CD1-CB 4.15Å; L888-K949 HydrophobicContact CD1-CD 3.73Å; L888-K949 HydrophobicContact CG-CD 4.41Å; L945-K949 WeakPolarHBondContact O-CB 3.36Å; L945-K949 PolarHBondContact O-N 3.08Å; R946-K949 PolarHBondContact O-N 3.45Å; K949-G951 VanDerWaalsContact C-N 3.31Å
950	S	92.6	Very high	84.9	Confident	68 Å²	68	49.9 Å²	49.9	48%	0.476	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.5	177.3	57.3	0	0	0	0	113.7	R946 S947 M948 K952	R946-S950 WeakPolarHBondContact O-CB 3.37Å; R946-S950 PolarHBondContact O-N 3.49Å; R946-S950 PolarHBondContact O-OG 2.76Å; S947-S950 PolarHBondContact O-N 3.11Å; S947-S950 PolarHBondContact O-OG 2.98Å; S947-S950 VanDerWaalsContact O-OG 3.07Å; M948-S950 VanDerWaalsContact C-N 3.25Å; M948-S950 PolarHBondContact O-N 2.55Å; S950-K952 VanDerWaalsContact C-N 3.25Å; S950-K952 PolarHBondContact O-N 2.93Å
951	G	91	Very high	83.2	Confident	54 Å²	54	51.5 Å²	51.5	56%	0.557	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	11.7	-176.3	0	0	0	0	0	114.4	S947 M948 K949	S947-G951 PolarHBondContact O-N 3.38Å; M948-G951 PolarHBondContact O-N 2.96Å; K949-G951 VanDerWaalsContact C-N 3.31Å
952	K	90.2	Very high	81.2	Confident	113 Å²	113	58.5 Å²	58.5	49%	0.491	33%	0.331	S	S	.	.	S	Bend	trans	-88.4	-10.1	-179.3	-63.7	-178.4	-178.6	-179.6	0	114.1	E845 N849 S947 S950	E845-K952 HydrophobicContact CG-CD 4.5Å; E845-K952 WeakPolarHBondContact OE1-CD 3.48Å; E845-K952 WeakPolarHBondContact OE1-CE 3.41Å; E845-K952 IonicContact OE1-NZ 3.91Å; E845-K952 PolarHBondContact OE1-NZ 2.87Å; E845-K952 IonicContact OE2-NZ 3.51Å; E845-K952 PolarHBondContact OE2-NZ 3.01Å; N849-K952 PolarHBondContact ND2-O 3.15Å; S947-K952 PolarHBondContact O-N 3.43Å; S950-K952 VanDerWaalsContact C-N 3.25Å; S950-K952 PolarHBondContact O-N 2.93Å
953	L	89.7	Confident	79.8	Confident	5 Å²	5	59.1 Å²	59.1	3%	0.026	33%	0.332	C	S	.	.			trans	-133.3	120.6	173.6	176	68.1	0	0	0	107.4	N849 I852 E853 I944 S947 M948 V955	N849-L953 WeakPolarHBondContact O-CD1 3.35Å; I852-L953 HydrophobicContact CG2-CD1 4.28Å; I852-L953 HydrophobicContact CG2-CD2 3.75Å; E853-L953 HydrophobicContact CB-CD1 3.73Å; E853-L953 HydrophobicContact CG-CD1 4.31Å; I944-L953 HydrophobicContact CG2-CD2 3.91Å; S947-L953 PolarHBondContact O-N 3.33Å; M948-L953 HydrophobicContact CG-CB 4.42Å; M948-L953 HydrophobicContact CG-CD2 4.11Å; M948-L953 HydrophobicContact CG-CG 4.33Å; L953-V955 HydrophobicContact CG-CG2 4.39Å
954	T	85.1	Confident	78	Confident	95 Å²	95	60 Å²	60	58%	0.583	34%	0.337	S	S	*	.			trans	-117.3	103.4	177.4	47	0	0	0	0	108.7
955	V	80.9	Confident	76.1	Confident	12 Å²	12	66.9 Å²	66.9	7%	0.073	38%	0.378	C	S	.	.			trans	-77.4	128.2	175.3	-176.7	0	0	0	0	108.3	L856 L864 N868 M948 L953	L856-V955 HydrophobicContact CD1-CG2 3.84Å; L864-V955 HydrophobicContact CD1-CG1 3.4Å; L864-V955 VanDerWaalsContact CD1-CG1 3.4Å; L864-V955 HydrophobicContact CG-CG1 4.27Å; N868-V955 HydrophobicContact CB-CB 4.34Å; N868-V955 HydrophobicContact CB-CG1 4.01Å; N868-V955 PolarHBondContact ND2-O 3.18Å; M948-V955 HydrophobicContact SD-CG2 4.37Å; L953-V955 HydrophobicContact CG-CG2 4.39Å
956	P	72.9	Confident	74	Confident	62 Å²	62	70.7 Å²	70.7	40%	0.403	39%	0.394	S	S	.	.			trans	-55.2	143.5	178.5	-26.6	35.2	0	0	0	112.7	V857 N868	V857-P956 HydrophobicContact CG2-CG 3.82Å; N868-P956 PolarHBondContact ND2-O 2.67Å
957	S	67.8	Low	71.2	Confident	74 Å²	74	72.4 Å²	72.4	52%	0.517	43%	0.426	S	S	.	.			trans	-142.8	144.3	172.1	56	0	0	0	0	110
958	H	61.8	Low	70	Confident	86 Å²	86	75.9 Å²	75.9	40%	0.398	45%	0.446	S	S	.	.			trans	-61.2	140.7	170.2	-75.1	-64.5	0	0	0	111.2	F754 E865 N960 V961	F754-H958 AromaticContact CD2-CD2 3.65Å; F754-H958 AromaticContact CE2-CD2 3.77Å; F754-H958 AromaticContact CE2-NE2 3.8Å; E865-H958 VanDerWaalsContact OE1-CB 3.24Å; E865-H958 WeakPolarHBondContact OE1-CB 3.32Å; E865-H958 IonicContact OE1-CD2 3.94Å; E865-H958 PolarHBondContact OE1-CD2 3.44Å; E865-H958 IonicContact OE1-CG 2.93Å; E865-H958 PolarHBondContact OE1-N 2.87Å; E865-H958 IonicContact OE2-CD2 2.8Å; H958-N960 PolarHBondContact O-N 3.4Å; H958-V961 PolarHBondContact O-N 3Å
959	S	53.6	Low	68.8	Low	106 Å²	106	78.7 Å²	78.7	74%	0.741	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-12.2	-171.9	56.2	0	0	0	0	115.4
960	N	54.1	Low	67.5	Low	79 Å²	79	78.6 Å²	78.6	42%	0.422	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-5.4	-174	-60.6	-29.2	0	0	0	113.7	S751 H958 I962	S751-N960 WeakPolarHBondContact CB-ND2 3.46Å; H958-N960 PolarHBondContact O-N 3.4Å; N960-I962 PolarHBondContact O-N 3.2Å; N960-I962 VanDerWaalsContact O-N 3.16Å
961	V	56.1	Low	66	Low	37 Å²	37	79.2 Å²	79.2	22%	0.224	47%	0.469	C	S	.	.			trans	-87.5	82.4	178.7	-172.9	0	0	0	0	109.2	V753 I755 Y869 H958	V753-V961 HydrophobicContact CG1-CG2 4.22Å; V753-V961 HydrophobicContact CG2-CG2 4.48Å; I755-V961 HydrophobicContact CD1-CB 4.49Å; I755-V961 HydrophobicContact CD1-CG1 3.67Å; I755-V961 HydrophobicContact CD1-CG2 3.94Å; Y869-V961 HydrophobicContact CD2-CG1 3.67Å; Y869-V961 HydrophobicContact CE2-CG1 4.05Å; H958-V961 PolarHBondContact O-N 3Å
962	I	54.7	Low	64.4	Low	147 Å²	147	80.8 Å²	80.8	75%	0.754	46%	0.464	S	S	*	.			trans	-91.4	107.5	172.5	-56.8	175.5	0	0	0	108.1	N960	N960-I962 PolarHBondContact O-N 3.2Å; N960-I962 VanDerWaalsContact O-N 3.16Å
963	R	65.1	Low	62.7	Low	42 Å²	42	78.6 Å²	78.6	16%	0.158	46%	0.462	C	S	.	.			trans	-76	127.9	168.9	-84.2	-171.5	53.1	-135	-28.3	110.3	E767 Y869 N872 T876 V965	E767-R963 IonicContact OE1-CZ 2.67Å; E767-R963 VanDerWaalsContact OE1-CZ 3.23Å; E767-R963 IonicContact OE1-NE 3.83Å; E767-R963 IonicContact OE1-NH1 3.41Å; E767-R963 IonicContact OE1-NH2 3.33Å; E767-R963 PolarHBondContact OE1-NH2 2.98Å; E767-R963 IonicContact OE2-CZ 3.23Å; E767-R963 IonicContact OE2-NE 2.66Å; E767-R963 IonicContact OE2-NH2 2.54Å; E767-R963 PolarHBondContact OE2-NH2 3.38Å; Y869-R963 HydrophobicContact CD2-CG 3.81Å; Y869-R963 VanDerWaalsContact CE2-CD 3.44Å; Y869-R963 HydrophobicContact CE2-CG 3.21Å; N872-R963 VanDerWaalsContact CB-NH1 3.29Å; N872-R963 PolarHBondContact O-NH1 2.95Å; T876-R963 PolarHBondContact OG1-NH2 3.24Å; R963-V965 PolarHBondContact O-N 3.4Å
964	P	57.1	Low	60.8	Low	41 Å²	41	83.9 Å²	83.9	27%	0.266	49%	0.493	S	S	.	.			trans	-61.4	126.1	173.4	22.7	-29.9	0	0	0	110	E764 Y966	E764-P964 HydrophobicContact CG-CG 4.16Å; P964-Y966 HydrophobicContact CB-CD2 4.49Å; P964-Y966 HydrophobicContact CB-CE2 3.92Å; P964-Y966 HydrophobicContact CG-CE2 3.63Å; P964-Y966 PolarHBondContact O-N 3.27Å
965	V	55.1	Low	58.9	Low	143 Å²	143	83 Å²	83	87%	0.867	49%	0.486	S	S	*	.			trans	-85.3	104	172	-178	0	0	0	0	107.5	R963 S967	R963-V965 PolarHBondContact O-N 3.4Å; V965-S967 PolarHBondContact O-N 3.2Å
966	Y	51.7	Low	57.1	Low	81 Å²	81	88.9 Å²	88.9	32%	0.318	52%	0.521	S	S	.	.			trans	-80.6	114.9	172.9	-63	-79.2	0	0	0	108.9	E767 R768 Y880 P964	E767-Y966 HydrophobicContact CB-CD2 3.74Å; E767-Y966 HydrophobicContact CB-CE2 4Å; R768-Y966 HydrophobicContact CB-CE1 4.27Å; R768-Y966 HydrophobicContact CG-CE1 4.15Å; Y880-Y966 PolarHBondContact OH-O 2.69Å; P964-Y966 HydrophobicContact CB-CD2 4.49Å; P964-Y966 HydrophobicContact CB-CE2 3.92Å; P964-Y966 HydrophobicContact CG-CE2 3.63Å; P964-Y966 PolarHBondContact O-N 3.27Å
967	S	34.8	Very low	55.6	Low	169 Å²	169	91.4 Å²	91.4	100%	1.182	53%	0.532	S	S	*	.			trans	-78.8	0	178.3	63.6	0	0	0	0	112.6	V965	V965-S967 PolarHBondContact O-N 3.2Å

Retrieved 967 of 967 residues in 338.9 ms (Link to these results)

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