G4LX39_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession G4LX39, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,183 aa.

						>G4LX39_SCHMA|G4LX39
MNSELQPIIMNSHLDSNYATGTPTNLSSTNQAEISFGSNNNSNSYIALLRNSSFINKSLSLVEKFKMGSMLSELNTTNKSMGSEEHGRKFQQPSQEQEQITKPSILSRSVDLQTGIQDISFADNSTSKQSDSSLKHENNMKNKKLFPSNESIKDIEITRSVVKKRSPSKTIHKLHSGDKINSMSHSKTVHGYRDIAYISLEAAPKSNILSTSINDSSPRNIKTSSRNRSGITNFSHCQYDNYPIFSDNDHQFGRVHNDLMESSRPHQYGTSNDCIDFKIPTVRNVVLATPSNETYPSQQNTPYSKCWNNAVELNNLSRSCNSVLYHSPRQGNSCKVTDTERSNKLLDELHRLYIQLKEAENEISERDSYIRYLQSIIFRRDQLIQQLIKQVPESYIPEEYYESINELEGHTKVVHTECQKSKQLQMYHKAVKHYDKSNVPSMNVSRWDSEHVSHYKNNRSSYLKANASGFVEQHENYSRENNKTNDVKIITPTPVNTTNNSPIISSNSYNKCDLPFSKLQYSKSGTLISLNNTSEYNVGNVINSNATDGMETNDNKTPGIGMNLQIISKSRVKRNAISGESEKYLPPPASHLSNWPKIEKPAHTKALITQAILNNDFMKHLDKRQISKIVDSMCPLGCARLSWIIQEGEVGSVVYVLEDGYVEVQKAGERLREMGPGTVFGELAILYNCTRTASVRAITDCKLWAIDRPCFQSIMMFTGIQKQTEYVKFLKSVPTFKDLNLEVLGKVAVVLGSEHYEPDEYVIREGERGNTFYIITGGKVKVTKNRGNECNEQFIRYMTRGDWFGEKALTDEDVRTANIIAMPPRGVDCLMLDRDSYNVLIKDLVSFERSYPDEKPTISQREKQFSDIKLTDFTVVSTIGIGGFGRVQLVYLNKDKRQCFALKKLKKHYIVETKQQEHVINEKNILMETNHEFIVKLYRTYKDQRYLYILLEVCLGGELWTLLRNSTAFDDSTARFYSACVVEALNYLHRRGIVYRDLKPENLLLDSQGFCKMTDFGFAKRIGYGNKTWTFCGTPEYVAPEVILNKGHDFTVDFWALGILMFELLTGTPPFTSSDPMKIYNIILKGINTIEFPKSITRNAQCLIKKLCRDAPAQRLGARKSGIIEVKNHAWFEGFDWNGLIARTIQVPITPKISSPTDLSNFDSYSEEEELPPEDTTGWDKDF
					

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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	26.5	Very low	33.8	Very low	229 Å²	229	140.9 Å²	140.9	100%	1.128	73%	0.733	S	S	*	*				0	123	0	-75.3	169.9	164.2	0	0	106.7
2	N	36.7	Very low	33.5	Very low	128 Å²	128	132.8 Å²	132.8	68%	0.684	70%	0.697	S	S	*	*			trans	52.9	135.9	157.1	-54.1	16.4	0	0	0	122.3
3	S	39.3	Very low	33.4	Very low	68 Å²	68	130.5 Å²	130.5	48%	0.476	68%	0.68	S	S	.	*			trans	60.3	146.8	141.8	54.4	0	0	0	0	120.7	N11 S12	S3-N11 CarbonylContact C-O 3.59Å; S3-S12 CarbonylContact C-O 3.58Å; S3-S12 WeakPolarHBondContact CA-O 3.47Å; S3-S12 PolarHBondContact O-OG 3.41Å
4	E	37.9	Very low	33.2	Very low	150 Å²	150	130.9 Å²	130.9	70%	0.701	68%	0.683	S	S	*	*			cis	-150.6	172.1	-8.7	-120.3	168.7	-173.9	0	0	112.6	N11 S12	E4-N11 CarbonylContact C-O 3.56Å; E4-N11 PolarHBondContact N-O 2.8Å; E4-N11 CarbonylContact O-C 3.41Å; E4-S12 CarbonylContact C-O 3.45Å; E4-S12 WeakPolarHBondContact CA-O 3.21Å; E4-S12 PolarHBondContact N-O 2.73Å; E4-S12 PolarHBondContact O-N 3.32Å
5	L	33.8	Very low	33.1	Very low	131 Å²	131	130.9 Å²	130.9	69%	0.686	68%	0.684	S	S	*	*			trans	-101.3	129.5	-172.8	-79.7	150.7	0	0	0	115
6	Q	33.1	Very low	33	Very low	166 Å²	166	128.9 Å²	128.9	78%	0.776	68%	0.684	S	S	*	*			trans	-171.7	168.4	141.5	-100.7	-55	-80	0	0	109.8
7	P	42.4	Very low	32.9	Very low	99 Å²	99	129.5 Å²	129.5	64%	0.643	69%	0.687	S	S	*	*	S	Bend	trans	-84.9	156.4	-163.5	34.2	-36.7	0	0	0	114.4
8	I	35.3	Very low	32.8	Very low	159 Å²	159	133.5 Å²	133.5	82%	0.815	69%	0.693	S	S	*	*	S	Bend	trans	64.8	85.6	-174.1	-49.1	178.2	0	0	0	110.8
9	I	28.2	Very low	32.9	Very low	140 Å²	140	131.6 Å²	131.6	72%	0.718	70%	0.699	S	S	*	*	S	Bend	trans	92.2	96.9	173.7	-51	166.6	0	0	0	116
10	M	28.2	Very low	32.9	Very low	153 Å²	153	131.9 Å²	131.9	75%	0.754	71%	0.706	S	S	*	*			trans	79.5	110.7	152.5	-61.6	-177.3	-174.9	0	0	124.2
11	N	30.8	Very low	32.8	Very low	127 Å²	127	128.3 Å²	128.3	68%	0.679	70%	0.701	S	S	*	*			trans	63.3	101	131.5	-64.5	-6.8	0	0	0	127.5	S3 E4	S3-N11 CarbonylContact C-O 3.59Å; E4-N11 CarbonylContact C-O 3.56Å; E4-N11 PolarHBondContact N-O 2.8Å; E4-N11 CarbonylContact O-C 3.41Å
12	S	29.5	Very low	33.3	Very low	44 Å²	44	124.3 Å²	124.3	31%	0.308	69%	0.69	S	S	.	*				93.9	142	123.4	81.7	0	0	0	0	125.9	S3 E4	S3-S12 CarbonylContact C-O 3.58Å; S3-S12 WeakPolarHBondContact CA-O 3.47Å; S3-S12 PolarHBondContact O-OG 3.41Å; E4-S12 CarbonylContact C-O 3.45Å; E4-S12 WeakPolarHBondContact CA-O 3.21Å; E4-S12 PolarHBondContact N-O 2.73Å; E4-S12 PolarHBondContact O-N 3.32Å
13	H	32.6	Very low	33.7	Very low	103 Å²	103	124 Å²	124	48%	0.477	69%	0.694	S	S	.	*			trans	73.1	161.5	160.2	-63.4	-64.3	0	0	0	121.1
14	L	31.1	Very low	33.4	Very low	136 Å²	136	127 Å²	127	71%	0.712	71%	0.71	S	S	*	*			cis	-166.5	165.4	-47.3	-113.7	-174.7	0	0	0	114.5
15	D	30.8	Very low	33.3	Very low	131 Å²	131	126.9 Å²	126.9	70%	0.701	71%	0.714	S	S	*	*			trans	57.2	116.9	152.3	-74.5	-35.7	0	0	0	128
16	S	32.1	Very low	33.4	Very low	99 Å²	99	127.9 Å²	127.9	69%	0.692	72%	0.719	S	S	*	*				95.1	123.2	125	79.5	0	0	0	0	126
17	N	30.8	Very low	33.4	Very low	138 Å²	138	124.5 Å²	124.5	74%	0.738	71%	0.714	S	S	*	*				87.1	132.2	126.1	-84.9	-16.4	0	0	0	127.8
18	Y	31.1	Very low	33	Very low	202 Å²	202	124.6 Å²	124.6	79%	0.792	72%	0.717	S	S	*	*			trans	67.9	125.9	147.2	-78.4	-64.7	0	0	0	125.4
19	A	34.3	Very low	33.1	Very low	98 Å²	98	122.8 Å²	122.8	81%	0.81	71%	0.714	S	S	*	*			trans	-150.2	153.4	144.8	0	0	0	0	0	110.7
20	T	33.9	Very low	33.3	Very low	136 Å²	136	123.2 Å²	123.2	83%	0.834	72%	0.718	S	S	*	*			trans	-136	170.3	-175.5	53.2	0	0	0	0	110.2
21	G	31.6	Very low	33.6	Very low	58 Å²	58	123.8 Å²	123.8	60%	0.598	72%	0.718	S	S	*	*			cis	164.7	-159.4	-0.5	0	0	0	0	0	111.2
22	T	37	Very low	33.7	Very low	145 Å²	145	122 Å²	122	89%	0.89	72%	0.721	S	S	*	*			trans	76.2	163.4	167.7	80.2	0	0	0	0	118.4
23	P	43.7	Very low	33.8	Very low	120 Å²	120	126.1 Å²	126.1	78%	0.779	74%	0.736	S	S	*	*			cis	-126.2	178.3	-4.1	32.7	-12.4	0	0	0	116.3
24	T	33.7	Very low	33.8	Very low	132 Å²	132	128 Å²	128	81%	0.81	75%	0.748	S	S	*	*			trans	-142.9	168.4	-175.9	52.5	0	0	0	0	111.9
25	N	35.7	Very low	33.7	Very low	148 Å²	148	126.3 Å²	126.3	79%	0.791	75%	0.747	S	S	*	*			trans	-168.6	152.5	161	-89.2	-27.2	0	0	0	108.6
26	L	35.1	Very low	33.7	Very low	151 Å²	151	130 Å²	130	79%	0.791	76%	0.757	S	S	*	*			cis	-159.6	167.8	-6.8	-103.5	162.2	0	0	0	106.9
27	S	33.2	Very low	33.6	Very low	95 Å²	95	128.5 Å²	128.5	66%	0.664	76%	0.757	S	S	*	*			cis	-158.1	159.4	21.6	49.7	0	0	0	0	114.4
28	S	35.2	Very low	33.7	Very low	101 Å²	101	127.1 Å²	127.1	71%	0.706	76%	0.759	S	S	*	*			trans	67.2	149.3	171	53.5	0	0	0	0	118.3
29	T	35.7	Very low	33.6	Very low	122 Å²	122	124 Å²	124	75%	0.748	76%	0.756	S	S	*	*			cis	87.3	131	15.2	71.2	0	0	0	0	117.2
30	N	32.7	Very low	33.6	Very low	149 Å²	149	126.3 Å²	126.3	80%	0.797	76%	0.755	S	S	*	*			cis	98.1	156.4	24.2	-65.9	-4.5	0	0	0	114.2
31	Q	34.7	Very low	33.4	Very low	164 Å²	164	126.9 Å²	126.9	77%	0.766	75%	0.752	S	S	*	*			cis	-104.7	-143.6	4.5	-69.5	152.8	-117.4	0	0	111.8	E33	Q31-E33 WeakPolarHBondContact CB-OE2 3.03Å; Q31-E33 PolarHBondContact NE2-OE2 3.46Å
32	A	33.4	Very low	33.4	Very low	89 Å²	89	129.2 Å²	129.2	74%	0.736	76%	0.76	S	S	*	*			cis	-168.6	165.3	4.7	0	0	0	0	0	109
33	E	32.1	Very low	33.1	Very low	132 Å²	132	129.3 Å²	129.3	62%	0.617	76%	0.755	S	S	*	*			cis	-173.4	168.7	-32.7	-117.3	157.9	82.4	0	0	111.6	Q31	Q31-E33 WeakPolarHBondContact CB-OE2 3.03Å; Q31-E33 PolarHBondContact NE2-OE2 3.46Å
34	I	32.8	Very low	32.3	Very low	143 Å²	143	128.3 Å²	128.3	73%	0.733	75%	0.751	S	S	*	*			trans	59.9	116.7	158.7	-63	160.6	0	0	0	118.2
35	S	29.2	Very low	31.9	Very low	99 Å²	99	132.5 Å²	132.5	69%	0.692	75%	0.753	S	S	*	*				-174.9	157.7	69	23.4	0	0	0	0	115.1
36	F	30.8	Very low	31.7	Very low	208 Å²	208	133.5 Å²	133.5	91%	0.912	76%	0.757	S	S	*	*			trans	18.1	149.8	160.4	-54	-73.3	0	0	0	123.4
37	G	28.6	Very low	31.2	Very low	68 Å²	68	130.3 Å²	130.3	70%	0.701	75%	0.752	S	S	*	*			cis	138.9	129.4	-9.9	0	0	0	0	0	116
38	S	32.5	Very low	30.8	Very low	110 Å²	110	133.8 Å²	133.8	77%	0.769	76%	0.763	S	S	*	*			trans	70.8	153.9	163.5	-163.4	0	0	0	0	118.4
39	N	30.3	Very low	30.4	Very low	136 Å²	136	137 Å²	137	73%	0.727	77%	0.771	S	S	*	*			cis	-167.1	159.1	-37	-97.2	-27.2	0	0	0	110.4
40	N	33.2	Very low	30	Very low	147 Å²	147	142.7 Å²	142.7	79%	0.786	78%	0.779	S	S	*	*			trans	131.4	106.7	140.9	-70.6	-31.9	0	0	0	119.3
41	N	31.3	Very low	29.8	Very low	147 Å²	147	143.9 Å²	143.9	79%	0.786	79%	0.785	S	S	*	*			trans	8.3	126.2	139.1	-59.9	-15.2	0	0	0	120.6
42	S	31.4	Very low	29.5	Very low	107 Å²	107	140.4 Å²	140.4	75%	0.748	78%	0.779	S	S	*	*				172	141.9	93.9	-72.1	0	0	0	0	115.5
43	N	30.6	Very low	29.1	Very low	147 Å²	147	142.1 Å²	142.1	79%	0.786	79%	0.785	S	S	*	*			trans	64	92.4	150.6	-64.9	-12.2	0	0	0	123
44	S	26.1	Very low	28.9	Very low	99 Å²	99	145.3 Å²	145.3	69%	0.692	80%	0.798	S	S	*	*				86.3	152.6	119.6	76.3	0	0	0	0	121.9
45	Y	26.2	Very low	28.6	Very low	221 Å²	221	145.1 Å²	145.1	87%	0.867	80%	0.796	S	S	*	*			trans	57.2	90.9	178.4	-68.7	-86.5	0	0	0	115.7
46	I	29.8	Very low	28.5	Very low	168 Å²	168	148 Å²	148	86%	0.862	80%	0.804	S	S	*	*				-158.6	152.8	72.3	-92.4	167.2	0	0	0	110.4
47	A	25.2	Very low	28.3	Very low	85 Å²	85	147.9 Å²	147.9	70%	0.702	80%	0.803	S	S	*	*			trans	-128.2	171.8	176.7	0	0	0	0	0	111.8
48	L	25.6	Very low	28.2	Very low	168 Å²	168	149 Å²	149	88%	0.88	80%	0.8	S	S	*	*			trans	67.8	83.2	173.6	-56.2	172.7	0	0	0	116.5
49	L	25.9	Very low	27.9	Very low	167 Å²	167	151.7 Å²	151.7	87%	0.874	81%	0.805	S	S	*	*			trans	-176.8	107.6	130.3	-103.8	169.5	0	0	0	111.7
50	R	28.6	Very low	27.8	Very low	243 Å²	243	150.4 Å²	150.4	92%	0.917	81%	0.807	S	S	*	*			trans	170.3	94.7	144.1	-97.2	165.4	-172.4	-164.9	2.2	111.4
51	N	26.6	Very low	27.6	Very low	173 Å²	173	150.6 Å²	150.6	93%	0.925	81%	0.807	S	S	*	*			trans	-166	87.8	143.6	-110.6	-9	0	0	0	109.5
52	S	29.1	Very low	27.4	Very low	91 Å²	91	149.6 Å²	149.6	64%	0.636	81%	0.806	S	S	*	*			trans	-153.5	86.9	171	61.9	0	0	0	0	109.8	F54	S52-F54 PolarHBondContact O-N 3.2Å
53	S	25.7	Very low	27.2	Very low	125 Å²	125	153.9 Å²	153.9	87%	0.874	82%	0.815	S	S	*	*			trans	-72.7	66.5	173.1	51.6	0	0	0	0	111.1
54	F	27.8	Very low	27.1	Very low	200 Å²	200	156.1 Å²	156.1	88%	0.877	82%	0.817	S	S	*	*			trans	-149.1	25.3	-179.6	-130.8	-87.3	0	0	0	115.5	S52	S52-F54 PolarHBondContact O-N 3.2Å
55	I	26.2	Very low	27.2	Very low	138 Å²	138	161 Å²	161	71%	0.708	83%	0.826	S	S	*	*			trans	-128.2	89.2	170.9	-55.2	179.6	0	0	0	109.1
56	N	26.5	Very low	27.1	Very low	161 Å²	161	160.1 Å²	160.1	86%	0.861	83%	0.827	S	S	*	*	S	Bend	trans	-164.1	34.7	165.7	-115.8	-11	0	0	0	113.6
57	K	27.6	Very low	27	Very low	204 Å²	204	161 Å²	161	89%	0.887	83%	0.829	S	S	*	*	S	Bend	trans	-142.2	25.6	-179	-138.3	175.2	-173.9	-179.5	0	114.9
58	S	25.1	Very low	27	Very low	92 Å²	92	160.9 Å²	160.9	64%	0.643	84%	0.837	S	S	*	*	S	Bend	trans	-141.5	27.1	-174.6	44.3	0	0	0	0	113.4
59	L	26.8	Very low	27	Very low	166 Å²	166	158.4 Å²	158.4	87%	0.869	83%	0.833	S	S	*	*	S	Bend	trans	-125.7	34.6	179	-96.5	170.7	0	0	0	113.3
60	S	28.5	Very low	27	Very low	110 Å²	110	159.3 Å²	159.3	77%	0.769	84%	0.836	S	S	*	*	S	Bend	trans	-139.6	14.1	176.6	60.9	0	0	0	0	114.7
61	L	28.2	Very low	26.9	Very low	151 Å²	151	155.6 Å²	155.6	79%	0.791	83%	0.833	S	S	*	*	S	Bend	trans	-118.7	2.9	-174.5	-134	77.8	0	0	0	115.2
62	V	28	Very low	27.1	Very low	126 Å²	126	152 Å²	152	76%	0.764	82%	0.822	S	S	*	*	S	Bend	trans	-96.9	-16.3	-173.4	-179.3	0	0	0	0	113	K64	V62-K64 PolarHBondContact O-N 3.26Å
63	E	27.5	Very low	26.9	Very low	197 Å²	197	156.6 Å²	156.6	92%	0.921	83%	0.833	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	17	-179.1	-64	-168.8	127.5	0	0	114.7
64	K	28.8	Very low	27.2	Very low	193 Å²	193	157.4 Å²	157.4	84%	0.839	83%	0.827	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.9	8.3	178.1	-84.4	-167.5	172.1	-173.9	0	116.3	V62	V62-K64 PolarHBondContact O-N 3.26Å
65	F	26.6	Very low	27.4	Very low	202 Å²	202	152.5 Å²	152.5	89%	0.886	81%	0.81	S	S	*	*	S	Bend	trans	-128	27.6	178.9	-97.1	-81.1	0	0	0	114.9
66	K	25.8	Very low	27.7	Very low	202 Å²	202	150.4 Å²	150.4	88%	0.878	80%	0.804	S	S	*	*	S	Bend	trans	-135.3	56.9	170.5	-83.6	-166.3	172.1	-176.5	0	113.4
67	M	26.1	Very low	27.9	Very low	186 Å²	186	147.3 Å²	147.3	92%	0.916	79%	0.79	S	S	*	*			trans	-157.1	99.8	161.1	-99	-68.7	-90.1	0	0	107
68	G	26	Very low	28	Very low	83 Å²	83	144.6 Å²	144.6	86%	0.856	79%	0.786	S	S	*	*			trans	175.2	28.7	-170.4	0	0	0	0	0	116.4
69	S	26.6	Very low	28.4	Very low	116 Å²	116	149.9 Å²	149.9	81%	0.811	80%	0.797	S	S	*	*	S	Bend	trans	-157.9	42.7	174.3	-173.9	0	0	0	0	112.8
70	M	25.2	Very low	28.7	Very low	187 Å²	187	147.2 Å²	147.2	92%	0.921	79%	0.793	S	S	*	*	S	Bend	trans	-167.4	150.7	162.6	-112.1	175.2	174	0	0	108.7
71	L	27.1	Very low	28.7	Very low	165 Å²	165	150.6 Å²	150.6	86%	0.864	80%	0.798	S	S	*	*			trans	81.6	83.2	-173.9	-57.2	169.2	0	0	0	117.1
72	S	30.1	Very low	28.6	Very low	98 Å²	98	146.9 Å²	146.9	69%	0.685	80%	0.796	S	S	*	*			trans	-168.3	56.8	132.3	52.8	0	0	0	0	112.9
73	E	25.3	Very low	28.6	Very low	187 Å²	187	145.2 Å²	145.2	87%	0.874	79%	0.791	S	S	*	*			trans	-82.6	134.8	148.5	-67.8	-179.2	133.7	0	0	107.6
74	L	31.6	Very low	28.8	Very low	141 Å²	141	144 Å²	144	74%	0.738	79%	0.785	S	S	*	*			trans	127.1	107.5	163.8	-71.7	162.3	0	0	0	116
75	N	31.2	Very low	28.9	Very low	97 Å²	97	142 Å²	142	52%	0.519	78%	0.778	S	S	.	*			trans	76.9	142.5	148.6	-54.4	-37.6	0	0	0	117.3	E551	N75-E551 WeakPolarHBondContact CA-OE1 3.38Å; N75-E551 WeakPolarHBondContact CA-OE2 3.31Å; N75-E551 PolarHBondContact N-OE1 3.35Å
76	T	32.5	Very low	29.2	Very low	95 Å²	95	140.6 Å²	140.6	58%	0.583	77%	0.774	S	S	*	*			cis	-127.6	126.8	10.3	46	0	0	0	0	116.6	M550 E551	T76-M550 PolarHBondContact N-O 3.28Å; T76-M550 PolarHBondContact OG1-O 2.76Å; T76-E551 WeakPolarHBondContact CA-OE2 3.36Å; T76-E551 PolarHBondContact N-OE2 2.83Å; T76-E551 PolarHBondContact O-N 3.48Å
77	T	30.9	Very low	29.4	Very low	95 Å²	95	134 Å²	134	58%	0.583	76%	0.764	S	S	*	*			trans	-47.6	155.5	159.7	57.4	0	0	0	0	116.5	E551	T77-E551 PolarHBondContact N-OE2 3.29Å
78	N	30.7	Very low	29.6	Very low	148 Å²	148	136.9 Å²	136.9	79%	0.791	76%	0.764	S	S	*	*			trans	110.4	131.9	150.5	-70.5	-68.5	0	0	0	120.6
79	K	33.6	Very low	29.8	Very low	202 Å²	202	143 Å²	143	88%	0.878	77%	0.768	S	S	*	*			trans	81.9	121.1	169.7	-61.6	-176.6	179.1	178.8	0	117.2
80	S	32.4	Very low	29.9	Very low	111 Å²	111	146.5 Å²	146.5	78%	0.776	77%	0.768	S	S	*	*			cis	-158.7	148.7	-8.4	50.4	0	0	0	0	112.4
81	M	29.1	Very low	30	Very low	180 Å²	180	145.5 Å²	145.5	89%	0.887	76%	0.762	S	S	*	*			trans	-58	148.6	154.9	-75.9	174.7	53	0	0	110.1
82	G	25.2	Very low	30	Very low	73 Å²	73	146.1 Å²	146.1	75%	0.753	76%	0.76	S	S	*	*			trans	-84.6	152.4	159.8	0	0	0	0	0	111.2
83	S	29	Very low	30.1	Very low	92 Å²	92	146.4 Å²	146.4	64%	0.643	76%	0.759	S	S	*	*			trans	-143.2	146.1	167	54.2	0	0	0	0	108.4
84	E	30.5	Very low	30	Very low	172 Å²	172	142 Å²	142	80%	0.804	75%	0.75	S	S	*	*			trans	63.3	141.6	167.5	-72.7	132.9	-126.7	0	0	117.3
85	E	30.7	Very low	30	Very low	149 Å²	149	143.3 Å²	143.3	70%	0.696	75%	0.752	S	S	*	*			cis	-160.7	162.9	-15.7	-136.7	-171.4	-170.6	0	0	110.5
86	H	33.4	Very low	29.8	Very low	173 Å²	173	144.7 Å²	144.7	80%	0.801	76%	0.755	S	S	*	*			trans	61.9	158.8	169.3	-67.4	87.8	0	0	0	116.8
87	G	30.8	Very low	29.6	Very low	64 Å²	64	147.1 Å²	147.1	66%	0.66	76%	0.76	S	S	*	*			cis	176.3	45.6	-3.2	0	0	0	0	0	117.5
88	R	29.2	Very low	29.5	Very low	246 Å²	246	149.4 Å²	149.4	93%	0.928	76%	0.764	S	S	*	*			trans	48.6	122.8	167.8	-59.6	177	-179	163.9	0.3	119.3
89	K	30.9	Very low	29.4	Very low	213 Å²	213	148.9 Å²	148.9	93%	0.926	76%	0.757	S	S	*	*				-169.8	-179.9	117.7	-108.9	171.9	-178.1	-178.6	0	113.5
90	F	27.9	Very low	29.3	Very low	188 Å²	188	146.8 Å²	146.8	83%	0.825	75%	0.754	S	S	*	*			trans	-112.1	159.9	-164.1	-106	-111.4	0	0	0	113.3
91	Q	27.3	Very low	29.3	Very low	167 Å²	167	145.8 Å²	145.8	78%	0.78	74%	0.743	S	S	*	*			trans	68.2	125.8	160.5	-77	166	-68.1	0	0	119.7
92	Q	26.8	Very low	29.4	Very low	178 Å²	178	146.3 Å²	146.3	83%	0.832	74%	0.74	S	S	*	*			trans	17.3	155.7	139	-75.5	-179	-16.8	0	0	121.8
93	P	33.6	Very low	29.8	Very low	103 Å²	103	148.4 Å²	148.4	67%	0.669	74%	0.74	S	S	*	*			cis	-134.1	-177.2	1.3	33	-11	0	0	0	115.2
94	S	23.6	Very low	29.5	Very low	96 Å²	96	150 Å²	150	67%	0.671	75%	0.751	S	S	*	*			trans	50	151.6	142.4	60.4	0	0	0	0	123.7
95	Q	29.8	Very low	29.5	Very low	167 Å²	167	149.2 Å²	149.2	78%	0.78	75%	0.751	S	S	*	*			trans	76.4	147.3	166.6	-58.5	-161.2	-82.8	0	0	117.8
96	E	27.5	Very low	29.4	Very low	126 Å²	126	150.1 Å²	150.1	59%	0.589	76%	0.76	S	S	*	*			cis	-167.1	133.5	-37.7	-123.1	176.6	133.1	0	0	110.3
97	Q	27.9	Very low	29	Very low	147 Å²	147	147.2 Å²	147.2	69%	0.687	76%	0.759	S	S	*	*			trans	61.7	165.6	154.9	-63.8	172.9	44	0	0	116.3
98	E	30.3	Very low	28.8	Very low	143 Å²	143	154.9 Å²	154.9	67%	0.668	77%	0.768	S	S	*	*			cis	-143.2	138.6	15.7	-162.3	166.1	-153	0	0	114.1
99	Q	28.8	Very low	28.7	Very low	137 Å²	137	148.7 Å²	148.7	64%	0.64	76%	0.762	S	S	*	*			trans	26.8	135	151.6	-54.3	178	68.1	0	0	120.3
100	I	31.6	Very low	28.6	Very low	158 Å²	158	145.2 Å²	145.2	81%	0.81	76%	0.759	S	S	*	*				-166.2	141.4	85.9	-91.3	161.3	0	0	0	109.7
101	T	31.4	Very low	28.5	Very low	90 Å²	90	143.4 Å²	143.4	55%	0.552	76%	0.758	S	S	*	*			cis	-156.5	136.7	-20.5	37.9	0	0	0	0	110.3
102	K	31.3	Very low	28.6	Very low	190 Å²	190	142.8 Å²	142.8	83%	0.826	76%	0.759	S	S	*	*			trans	64	154.1	143.2	-67.3	178.4	-179.7	178.6	0	121.1
103	P	33.4	Very low	28.5	Very low	117 Å²	117	142 Å²	142	76%	0.76	76%	0.755	S	S	*	*			cis	-124.4	133.7	-10.2	33.7	-16.4	0	0	0	114.7
104	S	23.7	Very low	28.4	Very low	125 Å²	125	144.1 Å²	144.1	87%	0.874	77%	0.767	S	S	*	*			trans	-136.5	150.6	142.7	59.1	0	0	0	0	107.9
105	I	30	Very low	28.6	Very low	156 Å²	156	142.7 Å²	142.7	80%	0.8	77%	0.767	S	S	*	*			trans	-119.2	122.2	-169.6	-58.9	173.7	0	0	0	109
106	L	27.5	Very low	28.6	Very low	169 Å²	169	142.3 Å²	142.3	89%	0.885	77%	0.768	S	S	*	*			trans	166.6	113.2	137.8	-94.3	164.3	0	0	0	110.6
107	S	26.3	Very low	28.8	Very low	111 Å²	111	143.8 Å²	143.8	78%	0.776	78%	0.775	S	S	*	*			trans	-163.6	150.5	144.2	68	0	0	0	0	112.9
108	R	25.9	Very low	28.9	Very low	225 Å²	225	143 Å²	143	85%	0.849	78%	0.776	S	S	*	*			trans	100.3	126.6	165.7	-66.4	-171.9	166.3	160.4	-0.3	118.2
109	S	27	Very low	29.1	Very low	116 Å²	116	143.5 Å²	143.5	81%	0.811	78%	0.782	S	S	*	*			trans	-119.6	138.3	155.4	-57.1	0	0	0	0	107.5
110	V	29.2	Very low	29.1	Very low	140 Å²	140	140.8 Å²	140.8	85%	0.848	78%	0.778	S	S	*	*			trans	-138.8	131.1	153.6	-179.9	0	0	0	0	104.6
111	D	26.4	Very low	29.2	Very low	150 Å²	150	142.2 Å²	142.2	80%	0.802	78%	0.778	S	S	*	*			trans	-70.1	147.7	-171	-58.9	-77.6	0	0	0	113.5
112	L	28.8	Very low	29.3	Very low	154 Å²	154	141.6 Å²	141.6	81%	0.806	78%	0.782	S	S	*	*			trans	-154.1	99.7	146.4	-113.4	169	0	0	0	111.3
113	Q	25.6	Very low	29.3	Very low	162 Å²	162	140.1 Å²	140.1	76%	0.757	78%	0.784	S	S	*	*			trans	23.9	143.6	147.4	-62.2	175.7	-36.9	0	0	121.7
114	T	31	Very low	29.3	Very low	148 Å²	148	141.7 Å²	141.7	91%	0.908	79%	0.785	S	S	*	*			trans	74.2	133	171.5	75.4	0	0	0	0	115.6
115	G	27.1	Very low	29.7	Very low	65 Å²	65	140.7 Å²	140.7	67%	0.67	78%	0.779	S	S	*	*			cis	159.7	159	-10.8	0	0	0	0	0	112.1
116	I	30.6	Very low	29.6	Very low	159 Å²	159	139.6 Å²	139.6	82%	0.815	78%	0.779	S	S	*	*			trans	72.2	134.9	169.8	-55.2	165.8	0	0	0	112.3
117	Q	31.9	Very low	29.6	Very low	157 Å²	157	136.9 Å²	136.9	73%	0.734	78%	0.775	S	S	*	*			cis	-148.6	158.7	12.8	-147	141.3	9.4	0	0	112.8
118	D	30	Very low	29.8	Very low	132 Å²	132	141.8 Å²	141.8	71%	0.706	78%	0.782	S	S	*	*			trans	1.4	153.9	151.1	-41.5	-32.8	0	0	0	120.2
119	I	33.1	Very low	29.9	Very low	153 Å²	153	140.6 Å²	140.6	79%	0.785	79%	0.786	S	S	*	*				-153.6	157.2	51.5	-74.2	177.5	0	0	0	113
120	S	30.3	Very low	29.9	Very low	79 Å²	79	140.3 Å²	140.3	55%	0.552	78%	0.784	S	S	*	*			trans	-42.3	159.7	174.2	51.7	0	0	0	0	118.3
121	F	33.7	Very low	29.9	Very low	188 Å²	188	140.7 Å²	140.7	83%	0.825	78%	0.781	S	S	*	*			cis	-151.5	153.5	49.9	-90.7	-90.6	0	0	0	116.9
122	A	32.4	Very low	30	Very low	77 Å²	77	138.3 Å²	138.3	64%	0.636	78%	0.776	S	S	*	*			trans	28.1	142	138.5	0	0	0	0	0	120.9
123	D	32.7	Very low	30	Very low	160 Å²	160	136.5 Å²	136.5	86%	0.856	78%	0.776	S	S	*	*			cis	-132.9	166.2	39.1	-104.2	-39.7	0	0	0	117.6
124	N	32	Very low	30	Very low	149 Å²	149	136.6 Å²	136.6	80%	0.797	78%	0.781	S	S	*	*			trans	-88.2	171.8	173	-76.3	-58.4	0	0	0	111.3
125	S	31.7	Very low	29.9	Very low	105 Å²	105	139.3 Å²	139.3	73%	0.734	78%	0.78	S	S	*	*			cis	-154.4	150.8	6	9.7	0	0	0	0	112.6
126	T	28.1	Very low	30	Very low	133 Å²	133	143.9 Å²	143.9	82%	0.816	78%	0.784	S	S	*	*			trans	-26.7	140.2	155.4	39.4	0	0	0	0	118.4
127	S	29	Very low	29.9	Very low	112 Å²	112	143.2 Å²	143.2	78%	0.783	78%	0.777	S	S	*	*				172.4	126	93.9	48.1	0	0	0	0	114.8
128	K	28.6	Very low	29.7	Very low	213 Å²	213	141.7 Å²	141.7	93%	0.926	78%	0.775	S	S	*	*			trans	-172.6	110.8	145.1	-110.9	170.3	-175.7	175.9	0	109.8
129	Q	29.8	Very low	29.7	Very low	200 Å²	200	141.9 Å²	141.9	94%	0.935	78%	0.776	S	S	*	*			trans	-92.2	154.6	165.2	-82.3	177.2	-59	0	0	110.2
130	S	26.5	Very low	29.6	Very low	110 Å²	110	142.1 Å²	142.1	77%	0.769	78%	0.775	S	S	*	*			trans	-95.7	150.3	173.1	52.9	0	0	0	0	111.1
131	D	28.1	Very low	29.6	Very low	149 Å²	149	147 Å²	147	80%	0.797	79%	0.787	S	S	*	*			trans	-159.5	132.1	146.9	-134.6	-22	0	0	0	115.3
132	S	29.3	Very low	29.4	Very low	100 Å²	100	144.8 Å²	144.8	70%	0.699	78%	0.783	S	S	*	*			trans	56.2	164.4	153.3	79.6	0	0	0	0	121.1
133	S	28.3	Very low	29.3	Very low	115 Å²	115	149.9 Å²	149.9	80%	0.804	79%	0.791	S	S	*	*			cis	-165	161.2	-35.5	-93.4	0	0	0	0	109.2
134	L	25	Very low	29.1	Very low	164 Å²	164	151.6 Å²	151.6	86%	0.859	79%	0.791	S	S	*	*			trans	-74.5	164.7	177.9	-75.1	97.2	0	0	0	114
135	K	29.6	Very low	28.8	Very low	205 Å²	205	150.9 Å²	150.9	89%	0.891	79%	0.786	S	S	*	*			trans	-119.2	144.8	158.6	-80.6	-171.1	174.8	-178.2	0	112.2
136	H	29	Very low	28.6	Very low	162 Å²	162	154.7 Å²	154.7	75%	0.75	79%	0.79	S	S	*	*			trans	-84.4	174.9	176.1	-84	-121.8	0	0	0	110.6
137	E	28.5	Very low	29	Very low	144 Å²	144	153.8 Å²	153.8	67%	0.673	79%	0.786	S	S	*	*			cis	-166.2	165.4	11.5	-138	165.8	-137.9	0	0	116.1
138	N	27.6	Very low	28.9	Very low	126 Å²	126	152.8 Å²	152.8	67%	0.674	78%	0.779	S	S	*	*			trans	73.6	141.1	139.4	-89.1	-36.9	0	0	0	126.5
139	N	29.8	Very low	28.8	Very low	136 Å²	136	149 Å²	149	73%	0.727	77%	0.769	S	S	*	*			trans	101.4	114.4	144.9	-89.5	-39.1	0	0	0	125.3
140	M	31.1	Very low	28.8	Very low	157 Å²	157	147 Å²	147	77%	0.773	76%	0.76	S	S	*	*			trans	57.6	98.5	139.5	-75.1	-144.3	-175.8	0	0	123.6
141	K	31.3	Very low	28.9	Very low	183 Å²	183	146 Å²	146	80%	0.796	75%	0.753	S	S	*	*				165.8	143.3	102.1	-92.8	160.9	-176.6	171.2	0	113.5
142	N	29.8	Very low	28.9	Very low	141 Å²	141	145.8 Å²	145.8	75%	0.754	75%	0.75	S	S	*	*			trans	37.7	131.4	148	-69.6	-30.9	0	0	0	120.2
143	K	30	Very low	28.8	Very low	183 Å²	183	148.8 Å²	148.8	80%	0.796	75%	0.751	S	S	*	*			cis	-165.2	153.8	3.1	-88.4	168.6	-176.7	174.1	0	104.9
144	K	27.6	Very low	28.7	Very low	196 Å²	196	148.8 Å²	148.8	85%	0.852	74%	0.742	S	S	*	*			cis	-156.5	125.9	-11.5	-129.2	-170.5	178.6	-166.6	0	106.3
145	L	25.3	Very low	28.9	Very low	134 Å²	134	148.6 Å²	148.6	70%	0.702	74%	0.74	S	S	*	*			trans	-92.6	177.3	161.8	-148.9	80.5	0	0	0	109.4
146	F	28.5	Very low	28.6	Very low	186 Å²	186	146.8 Å²	146.8	82%	0.816	73%	0.734	S	S	*	*			trans	147.2	148	130.4	-77.3	-56.7	0	0	0	113.7
147	P	37.2	Very low	28.8	Very low	113 Å²	113	147.1 Å²	147.1	73%	0.734	74%	0.74	S	S	*	*				-137.6	-120	-118.1	43.4	-22.5	0	0	0	114.5
148	S	26.2	Very low	28.7	Very low	91 Å²	91	145.7 Å²	145.7	64%	0.636	74%	0.742	S	S	*	*			trans	-114.4	156.2	-154.4	51.7	0	0	0	0	115.2
149	N	27.1	Very low	28.8	Very low	135 Å²	135	151.1 Å²	151.1	72%	0.722	75%	0.753	S	S	*	*			trans	67.7	146.4	160.6	-64.1	26.9	0	0	0	116.3
150	E	28.6	Very low	28.8	Very low	156 Å²	156	149.5 Å²	149.5	73%	0.729	75%	0.752	S	S	*	*			cis	-158.1	165.1	5.2	-132.1	164.6	-112.1	0	0	113.5
151	S	28.3	Very low	28.7	Very low	89 Å²	89	148.8 Å²	148.8	62%	0.622	76%	0.756	S	S	*	*			trans	55.5	110.4	150.7	-73	0	0	0	0	124.1
152	I	29.3	Very low	28.6	Very low	145 Å²	145	146 Å²	146	74%	0.744	75%	0.754	S	S	*	*				79.2	97.7	118.2	-69.8	172.3	0	0	0	120.3
153	K	26.6	Very low	28.6	Very low	163 Å²	163	147.4 Å²	147.4	71%	0.709	75%	0.753	S	S	*	*				91.9	124	124.4	-77.8	-175.2	157.9	-88.5	0	123.5
154	D	26.3	Very low	28.5	Very low	115 Å²	115	149 Å²	149	62%	0.615	76%	0.761	S	S	*	*				61.8	100.2	129.6	-48.7	-12.3	0	0	0	119.7
155	I	28.9	Very low	28.5	Very low	161 Å²	161	150.8 Å²	150.8	83%	0.826	76%	0.762	S	S	*	*				-167.4	161.6	100.3	-95.7	163	0	0	0	111.5
156	E	24.4	Very low	28.5	Very low	166 Å²	166	149.6 Å²	149.6	78%	0.776	77%	0.765	S	S	*	*			trans	-33.5	142.8	-175.8	-55	169	107.7	0	0	119
157	I	32.4	Very low	28.7	Very low	169 Å²	169	145.9 Å²	145.9	87%	0.867	76%	0.759	S	S	*	*				-168.4	154	105.3	-96.6	163.3	0	0	0	112.3
158	T	26.4	Very low	28.1	Very low	115 Å²	115	146.3 Å²	146.3	71%	0.706	77%	0.765	S	S	*	*			trans	-87.9	158.9	-162.8	-18	0	0	0	0	115.3
159	R	29	Very low	28.4	Very low	240 Å²	240	151.7 Å²	151.7	91%	0.906	78%	0.777	S	S	*	*			trans	80.4	150.4	162.9	-56	163.6	-178.5	165.4	1.8	115
160	S	30.4	Very low	28.3	Very low	102 Å²	102	151.4 Å²	151.4	71%	0.713	78%	0.78	S	S	*	*			cis	-143.2	143.6	15.2	64.9	0	0	0	0	114.8
161	V	28.6	Very low	28.2	Very low	141 Å²	141	150.5 Å²	150.5	86%	0.855	78%	0.779	S	S	*	*			trans	-100.9	130	161.4	169.4	0	0	0	0	108.5	K163	V161-K163 PolarHBondContact O-N 3.22Å
162	V	30.6	Very low	28.3	Very low	125 Å²	125	153.8 Å²	153.8	76%	0.758	78%	0.784	S	S	*	*			trans	-91.7	91.1	174.2	-177.3	0	0	0	0	111
163	K	29.1	Very low	28.1	Very low	170 Å²	170	155 Å²	155	74%	0.739	78%	0.784	S	S	*	*			trans	37	112.2	138.7	-57	168.7	-175.6	169	0	118	V161	V161-K163 PolarHBondContact O-N 3.22Å
164	K	27.3	Very low	28.1	Very low	218 Å²	218	153.8 Å²	153.8	95%	0.948	78%	0.784	S	S	*	*				-139.2	86.7	106.5	-105.1	-180	-173.6	179.3	0	111.7
165	R	27.5	Very low	28.3	Very low	233 Å²	233	155.9 Å²	155.9	88%	0.879	79%	0.79	S	S	*	*			trans	22.6	103	151.1	-73	179.2	167.5	164.8	-5.6	119.2
166	S	25.4	Very low	28.3	Very low	109 Å²	109	153.4 Å²	153.4	76%	0.762	79%	0.787	S	S	*	*			trans	-57.1	-174.7	134.1	-28.3	0	0	0	0	111.3
167	P	32.7	Very low	28.5	Very low	108 Å²	108	148.8 Å²	148.8	70%	0.701	78%	0.784	S	S	*	*			cis	-141.9	168.6	8.8	42.6	-24.4	0	0	0	117.7
168	S	25.9	Very low	28.5	Very low	121 Å²	121	146.6 Å²	146.6	85%	0.846	77%	0.774	S	S	*	*			trans	-82.8	144.6	149	-55.9	0	0	0	0	110
169	K	30.8	Very low	28.6	Very low	204 Å²	204	149.1 Å²	149.1	89%	0.887	78%	0.775	S	S	*	*			trans	-126.5	150	165	-97.9	-166.7	172.9	-170.5	0	110.2
170	T	25.7	Very low	28.8	Very low	129 Å²	129	145.5 Å²	145.5	79%	0.791	77%	0.772	S	S	*	*			trans	-112.3	166.9	-171.4	-34.8	0	0	0	0	110.8
171	I	27.3	Very low	28.8	Very low	137 Å²	137	148 Å²	148	70%	0.703	78%	0.778	S	S	*	*			trans	62.7	109	167.9	-6.5	179.3	0	0	0	114.4
172	H	28.9	Very low	29	Very low	159 Å²	159	147.2 Å²	147.2	74%	0.736	78%	0.779	S	S	*	*				-164.8	141.7	68.8	-108.8	-89.7	0	0	0	115.5
173	K	26.8	Very low	29	Very low	170 Å²	170	149.3 Å²	149.3	74%	0.739	78%	0.782	S	S	*	*			trans	20.3	131.1	141.8	-79.1	-173.9	175.1	-177.1	0	122.3
174	L	25.1	Very low	28.9	Very low	137 Å²	137	145.5 Å²	145.5	72%	0.717	78%	0.777	S	S	*	*				95.3	144.3	127.1	-77.5	170.3	0	0	0	121.8
175	H	30.6	Very low	29.1	Very low	160 Å²	160	144 Å²	144	74%	0.741	77%	0.773	S	S	*	*			trans	60.5	117.5	175.9	-63.2	84.3	0	0	0	116.2
176	S	28.8	Very low	29.1	Very low	108 Å²	108	137.5 Å²	137.5	76%	0.755	76%	0.763	S	S	*	*			cis	94.8	128	31.8	75.8	0	0	0	0	114
177	G	29.1	Very low	29.3	Very low	70 Å²	70	141.1 Å²	141.1	72%	0.722	77%	0.765	S	S	*	*			trans	153.2	96.3	167.7	0	0	0	0	0	114.5
178	D	32.1	Very low	29	Very low	123 Å²	123	141.9 Å²	141.9	66%	0.658	77%	0.768	S	S	*	*			trans	47.6	112.1	140.1	-71.7	2.5	0	0	0	121.1
179	K	29.4	Very low	29	Very low	167 Å²	167	141.7 Å²	141.7	73%	0.726	76%	0.761	S	S	*	*				86.3	126.2	79.5	-77.5	170.4	-163.1	136.7	0	113.1
180	I	33.7	Very low	28.8	Very low	165 Å²	165	140.4 Å²	140.4	85%	0.846	76%	0.758	S	S	*	*				-171.1	153.5	104.5	-95	167.4	0	0	0	109.5
181	N	29.7	Very low	28.9	Very low	154 Å²	154	137 Å²	137	82%	0.824	75%	0.749	S	S	*	*			trans	-78.2	153.2	-175.9	-53.3	-45.6	0	0	0	113
182	S	33	Very low	29.1	Very low	125 Å²	125	141 Å²	141	87%	0.874	76%	0.757	S	S	*	*				-171.6	173.9	111	56.5	0	0	0	0	111.6
183	M	29.5	Very low	28.8	Very low	169 Å²	169	143.6 Å²	143.6	83%	0.833	76%	0.76	S	S	*	*			trans	-107.4	160.7	-157.9	-70.8	166.7	53.7	0	0	115.7
184	S	28.6	Very low	28.8	Very low	90 Å²	90	140.9 Å²	140.9	63%	0.629	75%	0.753	S	S	*	*			trans	71.8	109.3	140.2	53.5	0	0	0	0	121.9
185	H	29.7	Very low	28.9	Very low	186 Å²	186	141.3 Å²	141.3	86%	0.861	76%	0.755	S	S	*	*				95.1	114.1	121.8	-80.5	64.9	0	0	0	121.7
186	S	28.9	Very low	28.7	Very low	96 Å²	96	137.6 Å²	137.6	67%	0.671	75%	0.752	S	S	*	*			trans	85.5	102	140	-160	0	0	0	0	120.9
187	K	29.2	Very low	28.5	Very low	185 Å²	185	142.8 Å²	142.8	80%	0.804	76%	0.756	S	S	*	*				41.2	129.2	123.5	-54.1	176.6	-178.7	178.9	0	117.8
188	T	26.5	Very low	28.5	Very low	124 Å²	124	146.2 Å²	146.2	76%	0.761	76%	0.756	S	S	*	*			cis	-166.2	156.9	23.4	-15.6	0	0	0	0	114.6
189	V	26.2	Very low	28.2	Very low	117 Å²	117	145 Å²	145	71%	0.709	76%	0.758	S	S	*	*			trans	69.2	144.9	159.1	-122.5	0	0	0	0	123.3
190	H	26.3	Very low	28.1	Very low	178 Å²	178	144.1 Å²	144.1	82%	0.824	76%	0.76	S	S	*	*			trans	90.4	107.2	151.6	-75.9	115	0	0	0	122.8
191	G	28	Very low	27.8	Very low	57 Å²	57	144.8 Å²	144.8	59%	0.588	76%	0.76	S	S	*	*			trans	-146.8	123	138.4	0	0	0	0	0	108.7
192	Y	30.2	Very low	27.8	Very low	222 Å²	222	141.7 Å²	141.7	87%	0.871	76%	0.755	S	S	*	*				75	119.6	103.1	-72.4	-65.8	0	0	0	113.8
193	R	24.3	Very low	27.5	Very low	212 Å²	212	140.2 Å²	140.2	80%	0.8	75%	0.751	S	S	*	*			cis	58.2	132.4	39.1	-75	-167.1	149.5	147	-0.7	113.4
194	D	27	Very low	27.6	Very low	113 Å²	113	137.9 Å²	137.9	60%	0.604	75%	0.748	S	S	*	*			cis	-151.3	144.2	-3	-90.7	-38.7	0	0	0	107.1
195	I	25.2	Very low	27.5	Very low	147 Å²	147	143.6 Å²	143.6	75%	0.754	76%	0.762	S	S	*	*				59.7	143	90	-54.7	177.3	0	0	0	115.8
196	A	26.4	Very low	27.4	Very low	81 Å²	81	140 Å²	140	67%	0.669	76%	0.758	S	S	*	*			trans	110.5	147.2	167.1	0	0	0	0	0	115.7
197	Y	26.4	Very low	27.1	Very low	217 Å²	217	143.3 Å²	143.3	85%	0.851	77%	0.768	S	S	*	*			cis	-162	-166.9	-20.9	-108.9	-44.7	0	0	0	107.2
198	I	28	Very low	27.2	Very low	142 Å²	142	141.7 Å²	141.7	73%	0.728	77%	0.767	S	S	*	*			cis	-154.8	-167.6	12	-148.1	167.1	0	0	0	110.5
199	S	26.1	Very low	27.3	Very low	98 Å²	98	143 Å²	143	69%	0.685	77%	0.768	S	S	*	*			trans	85.7	130.8	165.6	-59.3	0	0	0	0	118.8
200	L	28	Very low	27.2	Very low	148 Å²	148	141.9 Å²	141.9	78%	0.775	77%	0.765	S	S	*	*			cis	-172.8	155.7	-28.2	-109.2	159.3	0	0	0	104.4
201	E	26.9	Very low	27.3	Very low	179 Å²	179	140.1 Å²	140.1	84%	0.836	77%	0.767	S	S	*	*			cis	-140.8	140.6	35.7	-67.9	-178.9	124.5	0	0	109.9
202	A	28.6	Very low	27	Very low	89 Å²	89	142.3 Å²	142.3	74%	0.736	77%	0.774	S	S	*	*				80.1	141	77	0	0	0	0	0	114.4
203	A	26.6	Very low	27	Very low	95 Å²	95	138.7 Å²	138.7	79%	0.785	77%	0.768	S	S	*	*			cis	-157.7	168	-8.7	0	0	0	0	0	111.6
204	P	32.9	Very low	27.2	Very low	119 Å²	119	135.2 Å²	135.2	77%	0.773	77%	0.765	S	S	*	*			trans	-125.8	166.3	-178	42.5	-30.6	0	0	0	117.3
205	K	25.3	Very low	27.1	Very low	211 Å²	211	136.8 Å²	136.8	92%	0.917	77%	0.773	S	S	*	*			trans	71.9	126.1	163.2	-64.5	-175.9	178.6	-179.2	0	120.6
206	S	28	Very low	27.3	Very low	110 Å²	110	135.3 Å²	135.3	77%	0.769	78%	0.776	S	S	*	*			trans	-153.7	158.6	135.8	60.5	0	0	0	0	110.3
207	N	23.9	Very low	27.2	Very low	166 Å²	166	136.7 Å²	136.7	89%	0.888	78%	0.781	S	S	*	*			trans	-110.2	136.9	175.9	-84.3	-8.2	0	0	0	109.7
208	I	31.4	Very low	27.9	Very low	151 Å²	151	131.6 Å²	131.6	77%	0.774	78%	0.775	S	S	*	*			trans	-136.2	133.6	166.2	-67.2	-174.4	0	0	0	110.5
209	L	28	Very low	27.9	Very low	151 Å²	151	135.9 Å²	135.9	79%	0.791	78%	0.781	S	S	*	*			trans	-8.8	119	157.9	-63.6	133.8	0	0	0	115.5
210	S	23.4	Very low	27.9	Very low	93 Å²	93	137.8 Å²	137.8	65%	0.65	78%	0.784	S	S	*	*				70.1	114.8	69.6	80	0	0	0	0	115.8
211	T	28.1	Very low	27.9	Very low	142 Å²	142	137.5 Å²	137.5	87%	0.871	78%	0.782	S	S	*	*				-168.8	142.4	122.6	26	0	0	0	0	110.2
212	S	22.4	Very low	28	Very low	103 Å²	103	137.5 Å²	137.5	72%	0.72	78%	0.779	S	S	*	*			trans	-85.9	165.9	160.9	48.4	0	0	0	0	110.5
213	I	29.7	Very low	27.8	Very low	146 Å²	146	139 Å²	139	75%	0.749	78%	0.779	S	S	*	*			trans	164.8	133.2	132.3	-88	160.9	0	0	0	111.7
214	N	29	Very low	27.7	Very low	139 Å²	139	139 Å²	139	74%	0.743	77%	0.774	S	S	*	*			trans	55.4	136.1	163.9	-60.9	2.6	0	0	0	120
215	D	24.8	Very low	27.4	Very low	145 Å²	145	138.2 Å²	138.2	78%	0.775	77%	0.771	S	S	*	*			cis	79.4	101.3	48.3	-100	-31.6	0	0	0	115.6
216	S	29.3	Very low	27.5	Very low	117 Å²	117	138.2 Å²	138.2	82%	0.818	77%	0.765	S	S	*	*			trans	-162	135.8	137.8	56.7	0	0	0	0	109.8
217	S	25.2	Very low	27.6	Very low	109 Å²	109	139.2 Å²	139.2	76%	0.762	76%	0.762	S	S	*	*			trans	-111.3	-155.8	179.6	-58.4	0	0	0	0	111
218	P	41	Very low	27.6	Very low	111 Å²	111	142.5 Å²	142.5	72%	0.721	76%	0.762	S	S	*	*				-121.6	176.2	-122.6	34.7	-14.4	0	0	0	115.1
219	R	27.9	Very low	27.4	Very low	231 Å²	231	141.1 Å²	141.1	87%	0.872	77%	0.766	S	S	*	*			trans	-168.6	128.2	146.3	-103.3	148	-151.5	-133.3	4.8	114.3
220	N	24.7	Very low	27.4	Very low	139 Å²	139	137.4 Å²	137.4	74%	0.743	76%	0.764	S	S	*	*				21.1	144.5	127.9	-50.9	-15.7	0	0	0	120.1
221	I	29.3	Very low	27.8	Very low	142 Å²	142	140.6 Å²	140.6	73%	0.728	77%	0.772	S	S	*	*				177.1	136.2	109.5	-95	164.7	0	0	0	113
222	K	28.1	Very low	27.9	Very low	179 Å²	179	138.9 Å²	138.9	78%	0.778	76%	0.761	S	S	*	*			trans	58	128.9	164.3	-68.7	160.6	-168.7	175.3	0	117.9
223	T	25.5	Very low	28.2	Very low	119 Å²	119	140.1 Å²	140.1	73%	0.73	76%	0.76	S	S	*	*			cis	93.1	121.7	28.2	71.4	0	0	0	0	117.1
224	S	24.6	Very low	28.3	Very low	96 Å²	96	141.6 Å²	141.6	67%	0.671	76%	0.761	S	S	*	*			trans	78.9	135.4	132.9	71	0	0	0	0	123
225	S	26.8	Very low	28.3	Very low	102 Å²	102	139.6 Å²	139.6	71%	0.713	76%	0.758	S	S	*	*			trans	82.8	152.6	141.7	88.9	0	0	0	0	117.5
226	R	27.2	Very low	28.6	Very low	211 Å²	211	139.2 Å²	139.2	80%	0.796	75%	0.751	S	S	*	*			cis	-163.2	165.3	-1.6	-134	170.9	-174.7	157.5	-1.9	111.9
227	N	28.3	Very low	28.5	Very low	131 Å²	131	137.9 Å²	137.9	70%	0.701	74%	0.741	S	S	*	*			trans	67.7	132.8	162.1	-54.5	-19.7	0	0	0	116.2
228	R	24.6	Very low	28.6	Very low	236 Å²	236	138.4 Å²	138.4	89%	0.891	73%	0.731	S	S	*	*				63	132.1	51	-67.4	-173.1	170	-175	-3.1	111.8
229	S	27.6	Very low	28.1	Very low	122 Å²	122	141.4 Å²	141.4	85%	0.853	73%	0.729	S	S	*	*			cis	-161.3	158.9	37.8	50.2	0	0	0	0	115.6
230	G	27.8	Very low	28	Very low	73 Å²	73	134.4 Å²	134.4	75%	0.753	71%	0.709	S	S	*	*			trans	112.9	148.2	162.7	0	0	0	0	0	115.3
231	I	31.6	Very low	28.1	Very low	160 Å²	160	133.1 Å²	133.1	82%	0.821	70%	0.702	S	S	*	*			cis	-148.2	134.4	-4.6	-98.4	172.8	0	0	0	110
232	T	29.7	Very low	27.9	Very low	105 Å²	105	136.4 Å²	136.4	64%	0.644	71%	0.707	S	S	*	*			trans	27.2	129.9	158	64.6	0	0	0	0	125.9
233	N	30.4	Very low	28.1	Very low	129 Å²	129	132.4 Å²	132.4	69%	0.69	70%	0.7	S	S	*	*				67	153.4	130	-52.8	2.6	0	0	0	120.6
234	F	30.4	Very low	28	Very low	178 Å²	178	133.8 Å²	133.8	78%	0.781	70%	0.701	S	S	*	*			cis	-132.6	133.3	3.8	-88.7	-83.4	0	0	0	108.8
235	S	30.4	Very low	28.2	Very low	96 Å²	96	138.9 Å²	138.9	67%	0.671	71%	0.711	S	S	*	*				56	139.8	92.6	92.2	0	0	0	0	116.3
236	H	30.4	Very low	28.1	Very low	138 Å²	138	138.1 Å²	138.1	64%	0.639	71%	0.706	S	S	*	*			cis	-173.9	164.8	-10	-128.4	-17.9	0	0	0	107.1
237	C	27.7	Very low	28	Very low	89 Å²	89	134.5 Å²	134.5	60%	0.601	70%	0.703	S	S	*	*			cis	-120.2	-163.1	1.6	-68.1	0	0	0	0	109.1	Y239	C237-Y239 HydrophobicContact CB-CD2 4.11Å; C237-Y239 HydrophobicContact CB-CE2 4.16Å
238	Q	26.9	Very low	27.9	Very low	120 Å²	120	134.9 Å²	134.9	56%	0.561	70%	0.704	S	S	*	*			cis	68.4	159.8	13.5	-56.4	-173.8	-99.7	0	0	115.1	D240	Q238-D240 WeakPolarHBondContact CG-OD1 3.21Å; Q238-D240 PolarHBondContact NE2-OD1 3.45Å
239	Y	29.5	Very low	28.2	Very low	173 Å²	173	129.6 Å²	129.6	68%	0.678	69%	0.694	S	S	*	*			cis	-143.1	171.2	14.1	-77.6	-95.1	0	0	0	110.2	C237	C237-Y239 HydrophobicContact CB-CD2 4.11Å; C237-Y239 HydrophobicContact CB-CE2 4.16Å
240	D	25.8	Very low	28.3	Very low	84 Å²	84	130.8 Å²	130.8	45%	0.449	69%	0.686	S	S	.	*			cis	175	126.4	-44	-106.4	124.8	0	0	0	109.3	Q238	Q238-D240 WeakPolarHBondContact CG-OD1 3.21Å; Q238-D240 PolarHBondContact NE2-OD1 3.45Å
241	N	27.3	Very low	28.3	Very low	112 Å²	112	135.2 Å²	135.2	60%	0.599	69%	0.687	S	S	*	*			trans	67.4	161.7	145.7	-56.5	-31.7	0	0	0	120
242	Y	24.6	Very low	28	Very low	211 Å²	211	137.7 Å²	137.7	83%	0.827	69%	0.692	S	S	*	*			cis	-161.6	-175	-20	-107.2	-28.8	0	0	0	111
243	P	32.9	Very low	27.9	Very low	96 Å²	96	136.6 Å²	136.6	62%	0.623	70%	0.702	S	S	*	*			trans	-131.7	-178.8	-155.1	47	-31.6	0	0	0	118.2
244	I	24.4	Very low	27.6	Very low	148 Å²	148	142.3 Å²	142.3	76%	0.759	71%	0.714	S	S	*	*			trans	59.9	125	153.5	-67	155.3	0	0	0	120.1
245	F	27.5	Very low	27.5	Very low	203 Å²	203	139.8 Å²	139.8	89%	0.89	71%	0.712	S	S	*	*				-165.6	173.9	126.5	-107.3	-69.2	0	0	0	110.6
246	S	24.2	Very low	27.4	Very low	85 Å²	85	143.1 Å²	143.1	59%	0.594	72%	0.717	S	S	*	*			trans	-139.2	169.5	-164.2	60	0	0	0	0	115.6
247	D	26.9	Very low	27.3	Very low	136 Å²	136	141.9 Å²	141.9	73%	0.727	72%	0.715	S	S	*	*			trans	72.7	142	162.7	-44.8	-52.5	0	0	0	116.4
248	N	26.4	Very low	27.4	Very low	138 Å²	138	141 Å²	141	74%	0.738	71%	0.705	S	S	*	*			cis	-156.4	175.8	27.7	-121.7	-31.4	0	0	0	113.7
249	D	29.8	Very low	27.5	Very low	126 Å²	126	142.4 Å²	142.4	67%	0.674	72%	0.715	S	S	*	*			trans	70	143.8	159.1	-61.8	-36.1	0	0	0	120.4
250	H	30.2	Very low	27.4	Very low	147 Å²	147	139 Å²	139	68%	0.681	71%	0.706	S	S	*	*			cis	-153.1	140.7	0.2	-130.4	40.7	0	0	0	113.4
251	Q	28.5	Very low	27.6	Very low	165 Å²	165	142.6 Å²	142.6	77%	0.771	72%	0.72	S	S	*	*			trans	37.9	141.9	152.9	-57.4	-166.7	9.1	0	0	126.7
252	F	24	Very low	27.6	Very low	213 Å²	213	141.1 Å²	141.1	93%	0.934	72%	0.719	S	S	*	*			trans	-45	152	167.5	-66.4	-108.1	0	0	0	118.7
253	G	27.6	Very low	27.9	Very low	82 Å²	82	135.9 Å²	135.9	85%	0.845	71%	0.713	S	S	*	*			trans	-172.1	144.1	161.2	0	0	0	0	0	114.5
254	R	24.7	Very low	27.8	Very low	249 Å²	249	138.5 Å²	138.5	94%	0.94	71%	0.711	S	S	*	*			trans	-106.7	150.9	-175.5	-90.3	-172.8	-179.3	-173.1	2.2	113.4
255	V	27.1	Very low	28.4	Very low	125 Å²	125	135.7 Å²	135.7	76%	0.758	70%	0.702	S	S	*	*			trans	87.1	121.5	147.7	165.1	0	0	0	0	121.1
256	H	28.5	Very low	28.6	Very low	165 Å²	165	132.9 Å²	132.9	76%	0.764	69%	0.692	S	S	*	*			trans	54.8	117.9	153.8	-81.8	-59	0	0	0	125.1
257	N	29.9	Very low	28.9	Very low	113 Å²	113	135.4 Å²	135.4	60%	0.604	69%	0.694	S	S	*	*			trans	58.4	106.2	133.1	-67.3	46.5	0	0	0	124.3
258	D	29.8	Very low	28.9	Very low	71 Å²	71	139 Å²	139	38%	0.38	70%	0.699	S	S	.	*				63	113.8	114.4	-45.5	-34	0	0	0	124.4	S437 N438	D258-S437 WeakPolarHBondContact CB-OG 3.39Å; D258-N438 HydrophobicContact CB-CB 3.83Å
259	L	28	Very low	29.1	Very low	149 Å²	149	135.5 Å²	135.5	78%	0.78	70%	0.695	S	S	*	*			trans	-164.7	168.1	143.4	-104.4	170.6	0	0	0	111	N438	L259-N438 VanDerWaalsContact C-ND2 3.29Å; L259-N438 WeakPolarHBondContact CA-OD1 3.44Å; L259-N438 PolarHBondContact N-ND2 3.08Å; L259-N438 VanDerWaalsContact N-ND2 3.14Å; L259-N438 PolarHBondContact N-OD1 3.15Å; L259-N438 PolarHBondContact O-ND2 2.75Å; L259-N438 PolarHBondContact O-OD1 2.77Å
260	M	27.9	Very low	29	Very low	100 Å²	100	135.8 Å²	135.8	49%	0.493	70%	0.702	S	S	.	*				-128.2	157.8	-96.5	-98.1	-74.2	-80.3	0	0	112.8	N438	M260-N438 WeakPolarHBondContact CA-OD1 3.43Å; M260-N438 WeakPolarHBondContact CG-OD1 3.27Å; M260-N438 PolarHBondContact N-OD1 2.8Å; M260-N438 PolarHBondContact SD-N 3.14Å; M260-N438 PolarHBondContact SD-OD1 3.11Å
261	E	29.7	Very low	28.8	Very low	160 Å²	160	133.5 Å²	133.5	75%	0.748	70%	0.702	S	S	*	*			trans	62.5	153.4	165.5	-71.5	179.2	165.9	0	0	118.8
262	S	28.3	Very low	28.9	Very low	82 Å²	82	132.3 Å²	132.3	57%	0.573	70%	0.701	S	S	*	*			cis	-162	178.9	-17.2	63.9	0	0	0	0	111.8
263	S	29.9	Very low	29	Very low	100 Å²	100	129.8 Å²	129.8	70%	0.699	70%	0.697	S	S	*	*			trans	86.4	82	153.3	-54.9	0	0	0	0	124.1
264	R	29.7	Very low	28.9	Very low	151 Å²	151	131.5 Å²	131.5	57%	0.57	70%	0.695	S	S	*	*				20.1	165.6	123.4	-76.3	-163.3	-159.2	-167.7	13	124	N443	R264-N443 PolarHBondContact NH1-OD1 2.77Å; R264-N443 PolarHBondContact NH2-OD1 3.49Å
265	P	38.5	Very low	29	Very low	89 Å²	89	125.9 Å²	125.9	58%	0.578	68%	0.682	S	S	*	*			cis	-148.4	-179.2	-27.5	41.4	-22.3	0	0	0	118.5
266	H	31.1	Very low	28.8	Very low	145 Å²	145	125.7 Å²	125.7	67%	0.671	68%	0.677	S	S	*	*			trans	82.6	145.8	150	-67.7	-31.9	0	0	0	120.9
267	Q	30	Very low	28.8	Very low	138 Å²	138	124.8 Å²	124.8	65%	0.645	67%	0.671	S	S	*	*			cis	-157.7	149.8	3.6	-124.3	179.6	30.3	0	0	116
268	Y	28.5	Very low	28.7	Very low	212 Å²	212	128.5 Å²	128.5	83%	0.831	68%	0.682	S	S	*	*			trans	51.2	153.8	156.4	-66.1	-58.4	0	0	0	125
269	G	28.6	Very low	29	Very low	64 Å²	64	127.7 Å²	127.7	66%	0.66	68%	0.677	S	S	*	*			trans	-179.3	-47.8	174.3	0	0	0	0	0	120
270	T	27.7	Very low	29.2	Very low	132 Å²	132	125.7 Å²	125.7	81%	0.81	67%	0.673	S	S	*	*			trans	62.4	125.5	170.9	47.5	0	0	0	0	123.7
271	S	28	Very low	29.5	Very low	98 Å²	98	126 Å²	126	69%	0.685	68%	0.68	S	S	*	*			trans	88.2	112.9	130	65.3	0	0	0	0	124.7
272	N	28.6	Very low	30	Very low	140 Å²	140	122 Å²	122	75%	0.749	67%	0.666	S	S	*	*				90.6	85	127	-62.9	13.8	0	0	0	121.4
273	D	26.6	Very low	30	Very low	160 Å²	160	128.6 Å²	128.6	86%	0.856	68%	0.679	S	S	*	*				54.9	149.6	100.9	-59.2	-4.8	0	0	0	122.2
274	C	25.2	Very low	30.1	Very low	118 Å²	118	131.1 Å²	131.1	80%	0.797	68%	0.684	S	S	*	*			trans	-140.9	175	-172.4	-152.6	0	0	0	0	112.2
275	I	27.7	Very low	30.3	Very low	132 Å²	132	127.1 Å²	127.1	68%	0.677	68%	0.677	S	S	*	*			trans	78.3	175.1	161.7	-60.3	154.3	0	0	0	115.8	R329	I275-R329 PolarHBondContact O-NH2 2.83Å
276	D	23.7	Very low	29.9	Very low	121 Å²	121	128.6 Å²	128.6	65%	0.647	68%	0.684	S	S	*	*			trans	-85.5	169.4	-153	-56.7	-52.1	0	0	0	117.4	R329	D276-R329 IonicContact OD1-CZ 2.76Å; D276-R329 IonicContact OD1-NH1 3.24Å; D276-R329 PolarHBondContact OD1-NH1 3.44Å; D276-R329 IonicContact OD1-NH2 2.74Å
277	F	27.8	Very low	29.8	Very low	146 Å²	146	126.9 Å²	126.9	64%	0.64	68%	0.679	S	S	*	*			trans	-99	148.5	172.7	-71.3	-91.6	0	0	0	113.7	Y325	F277-Y325 HydrophobicContact CB-CE1 3.66Å; F277-Y325 WeakPolarHBondContact CB-OH 3.39Å
278	K	27.8	Very low	29.8	Very low	191 Å²	191	124.6 Å²	124.6	83%	0.83	68%	0.684	S	S	*	*			trans	-139.5	144.1	157.6	-77.6	-179.9	177.9	171.2	0	109.2
279	I	35.2	Very low	29.9	Very low	54 Å²	54	119.8 Å²	119.8	28%	0.277	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-84.5	129.2	166.4	-49.4	-179.3	0	0	0	110	N321 Y325	I279-N321 HydrophobicContact CD1-CB 4.45Å; I279-N321 VanDerWaalsContact CD1-OD1 3.31Å; I279-N321 WeakPolarHBondContact CD1-OD1 3.46Å; I279-Y325 HydrophobicContact CD1-CD2 3.46Å; I279-Y325 VanDerWaalsContact CD1-CD2 3.46Å; I279-Y325 HydrophobicContact CD1-CE2 3.5Å; I279-Y325 HydrophobicContact CD1-CG 4.11Å; I279-Y325 HydrophobicContact CG1-CD1 4.07Å; I279-Y325 HydrophobicContact CG1-CD2 3.62Å; I279-Y325 HydrophobicContact CG1-CE1 3.87Å; I279-Y325 HydrophobicContact CG1-CE2 3.44Å; I279-Y325 VanDerWaalsContact CG1-CE2 3.44Å; I279-Y325 HydrophobicContact CG1-CG 3.94Å
280	P	33.8	Very low	30.1	Very low	106 Å²	106	122.5 Å²	122.5	69%	0.688	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-69.8	129.7	170.5	-18.2	32.2	0	0	0	112.4
281	T	34.1	Very low	30.2	Very low	107 Å²	107	121.2 Å²	121.2	66%	0.656	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-78.2	133.3	172.1	-24.6	0	0	0	0	110.8	R283	T281-R283 VanDerWaalsContact C-N 3.31Å; T281-R283 PolarHBondContact O-N 3.01Å
282	V	38.5	Very low	30.2	Very low	75 Å²	75	124.2 Å²	124.2	46%	0.455	69%	0.687	S	S	.	*			trans	-76.4	79.3	-179.1	-166.6	0	0	0	0	111.9	V285 R318	V282-V285 HydrophobicContact CG1-CG2 3.78Å; V282-R318 PolarHBondContact O-NH2 3.14Å
283	R	29.4	Very low	30.4	Very low	222 Å²	222	126.2 Å²	126.2	84%	0.838	69%	0.692	S	S	*	*			trans	-68	154.2	145.2	-74.2	179.7	169.5	163.3	-3.6	108.4	T281	T281-R283 VanDerWaalsContact C-N 3.31Å; T281-R283 PolarHBondContact O-N 3.01Å
284	N	30.7	Very low	30.6	Very low	152 Å²	152	125.2 Å²	125.2	81%	0.813	69%	0.692	S	S	*	*			trans	71.6	42.1	-179.3	-49.8	-5.9	0	0	0	116.1	V286	N284-V286 VanDerWaalsContact C-N 3.29Å
285	V	34.5	Very low	31	Very low	67 Å²	67	129.1 Å²	129.1	41%	0.406	69%	0.692	S	S	.	*			trans	-89.4	80.4	139.6	-176	0	0	0	0	106.8	V282 L287	V282-V285 HydrophobicContact CG1-CG2 3.78Å; V285-L287 HydrophobicContact CG1-CD2 4.45Å
286	V	30.8	Very low	31.3	Very low	121 Å²	121	128 Å²	128	73%	0.733	69%	0.693	S	S	*	*			trans	-72.9	121.2	157.7	173.7	0	0	0	0	105.3	N284 A288	N284-V286 VanDerWaalsContact C-N 3.29Å; V286-A288 VanDerWaalsContact C-N 3.29Å; V286-A288 PolarHBondContact O-N 2.86Å
287	L	29.1	Very low	32	Very low	108 Å²	108	128 Å²	128	57%	0.565	70%	0.703	S	S	*	*			trans	-69.6	92.6	170.3	-74.5	172.2	0	0	0	108.2	V285 T289 W307	V285-L287 HydrophobicContact CG1-CD2 4.45Å; L287-T289 PolarHBondContact O-N 3.4Å; L287-W307 HydrophobicContact CD2-CH2 4.12Å; L287-W307 HydrophobicContact CD2-CZ2 4.02Å
288	A	28.8	Very low	32.8	Very low	90 Å²	90	127.9 Å²	127.9	74%	0.744	70%	0.704	S	S	*	*			trans	-67.7	87.9	155.5	0	0	0	0	0	107.1	V286 P290	V286-A288 VanDerWaalsContact C-N 3.29Å; V286-A288 PolarHBondContact O-N 2.86Å; A288-P290 WeakPolarHBondContact O-CD 3.42Å
289	T	30.2	Very low	33.9	Very low	112 Å²	112	127.8 Å²	127.8	69%	0.687	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-57.8	129.3	162.7	38.8	0	0	0	0	108	L287 S291	L287-T289 PolarHBondContact O-N 3.4Å; T289-S291 PolarHBondContact O-N 3.25Å; T289-S291 VanDerWaalsContact O-N 3.09Å
290	P	33.9	Very low	35	Very low	120 Å²	120	131.3 Å²	131.3	78%	0.779	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-57.4	117.2	163	-21.7	34	0	0	0	107.7	A288 N292	A288-P290 WeakPolarHBondContact O-CD 3.42Å; P290-N292 PolarHBondContact O-N 3.27Å
291	S	29.1	Very low	36.5	Very low	105 Å²	105	128.3 Å²	128.3	73%	0.734	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-71.2	124.9	-174.6	53	0	0	0	0	110.9	T289	T289-S291 PolarHBondContact O-N 3.25Å; T289-S291 VanDerWaalsContact O-N 3.09Å
292	N	28.2	Very low	37.5	Very low	161 Å²	161	124.6 Å²	124.6	86%	0.861	68%	0.683	S	S	*	*			trans	54.8	80.1	161.7	-59.9	-5.6	0	0	0	116.9	P290	P290-N292 PolarHBondContact O-N 3.27Å
293	E	33.7	Very low	38.2	Very low	182 Å²	182	125.6 Å²	125.6	85%	0.85	68%	0.679	S	S	*	*			trans	-137.1	131	142.1	-118.6	171.1	-138.8	0	0	109.2	Y295	E293-Y295 PolarHBondContact O-N 3.22Å
294	T	30.5	Very low	39.8	Very low	139 Å²	139	116.5 Å²	116.5	85%	0.853	65%	0.65	S	S	*	*			trans	-84.7	115	-167.1	45.7	0	0	0	0	112.5
295	Y	33.8	Very low	41.3	Very low	201 Å²	201	112.4 Å²	112.4	79%	0.788	63%	0.625	S	S	*	*			trans	-114.5	129.6	158.9	-87.5	-85.3	0	0	0	110.3	E293	E293-Y295 PolarHBondContact O-N 3.22Å
296	P	33.6	Very low	42.3	Very low	108 Å²	108	109.6 Å²	109.6	70%	0.701	61%	0.608	S	S	*	*			trans	-67.7	168.6	-177.8	-21.7	33.8	0	0	0	114.3	Q298	P296-Q298 PolarHBondContact O-N 3.11Å
297	S	39.2	Very low	43.6	Very low	122 Å²	122	107.7 Å²	107.7	85%	0.853	59%	0.588	S	S	*	*			trans	-54.1	99.4	176.5	52.5	0	0	0	0	113.7
298	Q	43.3	Very low	45.3	Very low	143 Å²	143	107.3 Å²	107.3	67%	0.668	59%	0.586	S	S	*	*			trans	-129.7	82.2	166.1	-70.5	-167.9	-16.4	0	0	110.8	P296 N300 T301	P296-Q298 PolarHBondContact O-N 3.11Å; Q298-N300 PolarHBondContact O-N 3.05Å; Q298-T301 HydrophobicContact CB-CG2 3.7Å; Q298-T301 PolarHBondContact O-N 3.47Å
299	Q	52	Low	46.8	Very low	189 Å²	189	104.1 Å²	104.1	88%	0.883	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	77.7	165.7	-71.7	-177.2	-16.4	0	0	109.8
300	N	58.2	Low	48	Very low	127 Å²	127	99.4 Å²	99.4	68%	0.679	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	171.2	2.1	161.6	-98.8	-38.3	0	0	0	113.3	Q298 K305	Q298-N300 PolarHBondContact O-N 3.05Å; N300-K305 VanDerWaalsContact O-CE 3.27Å; N300-K305 WeakPolarHBondContact O-CE 3.38Å
301	T	64.2	Low	49.4	Very low	43 Å²	43	96.7 Å²	96.7	26%	0.264	51%	0.51	S	S	.	.			trans	-58.3	145.9	174.9	61.7	0	0	0	0	110.8	Q298 Y303 S304 K305	Q298-T301 HydrophobicContact CB-CG2 3.7Å; Q298-T301 PolarHBondContact O-N 3.47Å; T301-Y303 PolarHBondContact O-N 3.4Å; T301-S304 PolarHBondContact N-OG 3.38Å; T301-S304 WeakPolarHBondContact O-CA 3.3Å; T301-S304 PolarHBondContact O-N 2.85Å; T301-S304 PolarHBondContact O-OG 3.13Å; T301-S304 WeakPolarHBondContact OG1-CB 3.49Å; T301-S304 PolarHBondContact OG1-N 2.99Å; T301-S304 PolarHBondContact OG1-OG 3.35Å; T301-K305 PolarHBondContact O-N 3.28Å; T301-K305 VanDerWaalsContact O-N 3.1Å
302	P	55.4	Low	50.9	Low	30 Å²	30	96 Å²	96	20%	0.195	50%	0.496	C	S	.	.	H	α-helix	trans	-52.4	-43.5	177.8	-27.8	35	0	0	0	112.5	S304 K305 C306 E362 I363	P302-S304 VanDerWaalsContact C-N 3.32Å; P302-S304 PolarHBondContact O-N 2.87Å; P302-K305 WeakPolarHBondContact O-CB 3.37Å; P302-K305 PolarHBondContact O-N 2.76Å; P302-C306 WeakPolarHBondContact O-CB 3.33Å; P302-C306 PolarHBondContact O-N 3Å; P302-E362 HydrophobicContact CB-CB 3.59Å; P302-E362 HydrophobicContact CG-CB 3.48Å; P302-E362 VanDerWaalsContact CG-CB 3.48Å; P302-E362 HydrophobicContact CG-CG 4.28Å; P302-E362 WeakPolarHBondContact CG-OE2 3.26Å; P302-I363 HydrophobicContact CB-CD1 4.05Å; P302-I363 HydrophobicContact CB-CG1 3.64Å
303	Y	53.2	Low	52.2	Low	95 Å²	95	88.9 Å²	88.9	37%	0.373	46%	0.457	S	S	.	.	H	α-helix	trans	-55.2	-41	173.9	-63.4	-82.9	0	0	0	113.5	T301 W307 I363	T301-Y303 PolarHBondContact O-N 3.4Å; Y303-W307 WeakPolarHBondContact O-CB 3.27Å; Y303-W307 PolarHBondContact O-N 3.43Å; Y303-I363 HydrophobicContact CD1-CD1 3.93Å; Y303-I363 HydrophobicContact CD1-CG1 4.33Å; Y303-I363 HydrophobicContact CD1-CG2 4.48Å; Y303-I363 HydrophobicContact CD2-CG1 4.47Å; Y303-I363 HydrophobicContact CE1-CD1 4.16Å; Y303-I363 HydrophobicContact CE1-CG1 4.18Å; Y303-I363 HydrophobicContact CE1-CG2 3.66Å; Y303-I363 HydrophobicContact CE2-CG1 4.31Å; Y303-I363 HydrophobicContact CG-CD1 4.23Å; Y303-I363 HydrophobicContact CG-CG1 4.49Å
304	S	62.6	Low	53.3	Low	31 Å²	31	82.7 Å²	82.7	22%	0.217	43%	0.43	C	S	.	.	H	α-helix	trans	-71.4	-38	177.5	70.5	0	0	0	0	112.9	T301 P302 N308	T301-S304 PolarHBondContact N-OG 3.38Å; T301-S304 WeakPolarHBondContact O-CA 3.3Å; T301-S304 PolarHBondContact O-N 2.85Å; T301-S304 PolarHBondContact O-OG 3.13Å; T301-S304 WeakPolarHBondContact OG1-CB 3.49Å; T301-S304 PolarHBondContact OG1-N 2.99Å; T301-S304 PolarHBondContact OG1-OG 3.35Å; P302-S304 VanDerWaalsContact C-N 3.32Å; P302-S304 PolarHBondContact O-N 2.87Å; S304-N308 WeakPolarHBondContact O-CB 3.24Å; S304-N308 VanDerWaalsContact O-CG 3.27Å; S304-N308 PolarHBondContact O-N 3.14Å; S304-N308 VanDerWaalsContact O-N 3.09Å; S304-N308 PolarHBondContact O-ND2 2.94Å
305	K	62.1	Low	54.5	Low	67 Å²	67	80 Å²	80	29%	0.291	41%	0.41	S	S	.	.	H	α-helix	trans	-61.6	-53	172.5	-57.5	175.4	-166.5	163.6	0	110	N300 T301 P302 W307 N308 N309 A359 E362	N300-K305 VanDerWaalsContact O-CE 3.27Å; N300-K305 WeakPolarHBondContact O-CE 3.38Å; T301-K305 PolarHBondContact O-N 3.28Å; T301-K305 VanDerWaalsContact O-N 3.1Å; P302-K305 WeakPolarHBondContact O-CB 3.37Å; P302-K305 PolarHBondContact O-N 2.76Å; K305-W307 VanDerWaalsContact C-N 3.34Å; K305-W307 PolarHBondContact O-N 2.67Å; K305-N308 PolarHBondContact O-N 3.35Å; K305-N309 WeakPolarHBondContact O-CB 3.46Å; K305-N309 PolarHBondContact O-N 2.93Å; K305-N309 PolarHBondContact O-OD1 2.97Å; K305-A359 HydrophobicContact CB-CB 4.12Å; K305-A359 HydrophobicContact CD-CB 4.4Å; K305-E362 IonicContact NZ-OE1 3.77Å; K305-E362 PolarHBondContact NZ-OE1 2.92Å; K305-E362 VanDerWaalsContact NZ-OE1 3.14Å; K305-E362 IonicContact NZ-OE2 2.86Å; K305-E362 PolarHBondContact NZ-OE2 2.97Å
306	C	56.6	Low	55.5	Low	7 Å²	7	71.8 Å²	71.8	5%	0.047	38%	0.38	C	S	.	.	H	α-helix	trans	-54.9	-45.1	177.3	-90.8	0	0	0	0	112.8	P302 A310 L356 A359 I363	P302-C306 WeakPolarHBondContact O-CB 3.33Å; P302-C306 PolarHBondContact O-N 3Å; C306-A310 WeakPolarHBondContact O-CB 3.44Å; C306-A310 PolarHBondContact O-N 3.28Å; C306-L356 HydrophobicContact CB-CD2 4.36Å; C306-A359 WeakPolarHBondContact SG-CB 3.45Å; C306-I363 HydrophobicContact CB-CD1 4.35Å
307	W	58	Low	56.3	Low	81 Å²	81	67.6 Å²	67.6	31%	0.307	35%	0.353	S	S	.	.	H	α-helix	trans	-63.1	-48.3	178	-179.5	-94.9	0	0	0	112.5	L287 Y303 K305 A310 V311 Y369 Y372	L287-W307 HydrophobicContact CD2-CH2 4.12Å; L287-W307 HydrophobicContact CD2-CZ2 4.02Å; Y303-W307 WeakPolarHBondContact O-CB 3.27Å; Y303-W307 PolarHBondContact O-N 3.43Å; K305-W307 VanDerWaalsContact C-N 3.34Å; K305-W307 PolarHBondContact O-N 2.67Å; W307-A310 PolarHBondContact O-N 3.13Å; W307-V311 WeakPolarHBondContact O-CG2 3.33Å; W307-V311 PolarHBondContact O-N 3.05Å; W307-Y369 WeakPolarHBondContact CZ3-OH 3.39Å; W307-Y372 AromaticContact CZ3-CE1 3.92Å; W307-Y372 HydrophobicContact CZ3-CE1 3.92Å
308	N	63.7	Low	56.9	Low	101 Å²	101	66.1 Å²	66.1	54%	0.54	33%	0.329	S	S	.	.	H	α-helix	trans	-64.3	-46.4	-178.5	-69.3	-18	0	0	0	111.4	S304 K305 A310 V311 E312	S304-N308 WeakPolarHBondContact O-CB 3.24Å; S304-N308 VanDerWaalsContact O-CG 3.27Å; S304-N308 PolarHBondContact O-N 3.14Å; S304-N308 VanDerWaalsContact O-N 3.09Å; S304-N308 PolarHBondContact O-ND2 2.94Å; K305-N308 PolarHBondContact O-N 3.35Å; N308-A310 VanDerWaalsContact C-N 3.31Å; N308-A310 PolarHBondContact O-N 3.32Å; N308-V311 PolarHBondContact O-N 3.32Å; N308-E312 PolarHBondContact O-N 3.27Å
309	N	60.7	Low	57.2	Low	22 Å²	22	62.7 Å²	62.7	12%	0.118	32%	0.321	C	S	.	.	H	α-helix	trans	-61.9	-38.6	177.1	-63	-4.1	0	0	0	111.4	K305 E312 L313 L352 Q355 L356	K305-N309 WeakPolarHBondContact O-CB 3.46Å; K305-N309 PolarHBondContact O-N 2.93Å; K305-N309 PolarHBondContact O-OD1 2.97Å; N309-E312 PolarHBondContact O-N 3.38Å; N309-L313 VanDerWaalsContact O-CB 3.3Å; N309-L313 WeakPolarHBondContact O-CB 3.32Å; N309-L313 PolarHBondContact O-N 2.79Å; N309-L352 HydrophobicContact CB-CD2 4.26Å; N309-Q355 PolarHBondContact ND2-O 3.32Å; N309-L356 HydrophobicContact CB-CD1 4.22Å; N309-L356 HydrophobicContact CB-CD2 3.82Å; N309-L356 HydrophobicContact CB-CG 3.76Å
310	A	55.9	Low	57	Low	14 Å²	14	53.9 Å²	53.9	12%	0.116	28%	0.28	C	S	.	.	H	α-helix	trans	-68.5	-35	176.1	0	0	0	0	0	113.2	C306 W307 N308 N314 I376	C306-A310 WeakPolarHBondContact O-CB 3.44Å; C306-A310 PolarHBondContact O-N 3.28Å; W307-A310 PolarHBondContact O-N 3.13Å; N308-A310 VanDerWaalsContact C-N 3.31Å; N308-A310 PolarHBondContact O-N 3.32Å; A310-N314 VanDerWaalsContact O-CB 3.25Å; A310-N314 WeakPolarHBondContact O-CB 3.31Å; A310-N314 PolarHBondContact O-N 2.89Å; A310-I376 HydrophobicContact CB-CG2 4.31Å
311	V	62.7	Low	56.2	Low	62 Å²	62	49.5 Å²	49.5	38%	0.376	26%	0.256	S	S	.	.	H	α-helix	trans	-69	-44.7	173.4	169.8	0	0	0	0	111	W307 N308 N314 N315	W307-V311 WeakPolarHBondContact O-CG2 3.33Å; W307-V311 PolarHBondContact O-N 3.05Å; N308-V311 PolarHBondContact O-N 3.32Å; V311-N314 PolarHBondContact O-N 3.28Å; V311-N315 PolarHBondContact O-N 3.15Å; V311-N315 VanDerWaalsContact O-N 3.13Å; V311-N315 PolarHBondContact O-ND2 2.81Å
312	E	61.9	Low	55.2	Low	92 Å²	92	51.3 Å²	51.3	43%	0.43	27%	0.271	S	S	.	.	H	α-helix	trans	-58.1	-48.8	176.2	-171	160.6	-112.8	0	0	110.6	N308 N309 N314 N315 L316 R351 L352	N308-E312 PolarHBondContact O-N 3.27Å; N309-E312 PolarHBondContact O-N 3.38Å; E312-N314 PolarHBondContact O-N 3.26Å; E312-N315 PolarHBondContact O-N 3.29Å; E312-L316 PolarHBondContact O-N 3.16Å; E312-R351 IonicContact OE2-NH2 3.41Å; E312-R351 PolarHBondContact OE2-NH2 3.4Å; E312-L352 HydrophobicContact CG-CD1 4.15Å; E312-L352 WeakPolarHBondContact OE2-CD2 3.46Å
313	L	55.3	Low	54.5	Low	11 Å²	11	50.9 Å²	50.9	6%	0.058	27%	0.268	C	S	.	.	H	α-helix	trans	-67.8	-35.5	179.7	-156	155.2	0	0	0	113.1	N309 N315 L316 S317 L349 L352 L356 R380	N309-L313 VanDerWaalsContact O-CB 3.3Å; N309-L313 WeakPolarHBondContact O-CB 3.32Å; N309-L313 PolarHBondContact O-N 2.79Å; L313-N315 VanDerWaalsContact C-N 3.27Å; L313-N315 PolarHBondContact O-N 3.4Å; L313-L316 WeakPolarHBondContact O-CB 3.43Å; L313-L316 PolarHBondContact O-N 2.88Å; L313-S317 WeakPolarHBondContact O-CB 3.39Å; L313-S317 PolarHBondContact O-N 2.91Å; L313-L349 HydrophobicContact CD1-CD2 3.96Å; L313-L349 HydrophobicContact CD2-CD2 3.86Å; L313-L349 HydrophobicContact CG-CD2 3.8Å; L313-L352 HydrophobicContact CB-CD1 4.23Å; L313-L352 HydrophobicContact CD1-CB 3.92Å; L313-L352 HydrophobicContact CD1-CD1 4.44Å; L313-L352 HydrophobicContact CG-CD1 4.41Å; L313-L356 HydrophobicContact CD1-CD1 4.19Å; L313-R380 HydrophobicContact CD1-CG 4.16Å; L313-R380 HydrophobicContact CD2-CB 4.07Å; L313-R380 HydrophobicContact CD2-CG 3.56Å
314	N	55.4	Low	53.8	Low	52 Å²	52	47 Å²	47	28%	0.278	25%	0.253	S	S	.	.	H	α-helix	trans	-65.8	-30.2	174.2	-167.9	8.5	0	0	0	112.3	A310 V311 E312 R318	A310-N314 VanDerWaalsContact O-CB 3.25Å; A310-N314 WeakPolarHBondContact O-CB 3.31Å; A310-N314 PolarHBondContact O-N 2.89Å; V311-N314 PolarHBondContact O-N 3.28Å; E312-N314 PolarHBondContact O-N 3.26Å; N314-R318 PolarHBondContact O-N 3.08Å
315	N	57	Low	52.7	Low	82 Å²	82	49.1 Å²	49.1	44%	0.439	26%	0.257	S	S	.	.	H	α-helix	trans	-75.3	-36.9	171.4	-67.5	-34.9	0	0	0	111.9	V311 E312 L313 R318	V311-N315 PolarHBondContact O-N 3.15Å; V311-N315 VanDerWaalsContact O-N 3.13Å; V311-N315 PolarHBondContact O-ND2 2.81Å; E312-N315 PolarHBondContact O-N 3.29Å; L313-N315 VanDerWaalsContact C-N 3.27Å; L313-N315 PolarHBondContact O-N 3.4Å; N315-R318 PolarHBondContact O-N 3.49Å; N315-R318 PolarHBondContact OD1-NH1 2.68Å
316	L	55.2	Low	51.5	Low	28 Å²	28	53.1 Å²	53.1	15%	0.147	28%	0.277	C	S	.	.	H	α-helix	trans	-58.6	-48.1	171.9	-149.1	73.4	0	0	0	111.2	E312 L313 R318 S319 C320 L345 E348 L349 L352	E312-L316 PolarHBondContact O-N 3.16Å; L313-L316 WeakPolarHBondContact O-CB 3.43Å; L313-L316 PolarHBondContact O-N 2.88Å; L316-R318 VanDerWaalsContact C-N 3.31Å; L316-R318 PolarHBondContact O-N 3.38Å; L316-S319 WeakPolarHBondContact O-CB 3.28Å; L316-S319 PolarHBondContact O-N 2.89Å; L316-C320 PolarHBondContact O-N 3.11Å; L316-C320 PolarHBondContact O-SG 3.26Å; L316-C320 VanDerWaalsContact O-SG 3.32Å; L316-L345 HydrophobicContact CD1-CD1 4.49Å; L316-L345 HydrophobicContact CD2-CD1 3.97Å; L316-L345 HydrophobicContact CG-CD1 3.8Å; L316-E348 HydrophobicContact CD1-CG 4.34Å; L316-E348 WeakPolarHBondContact CD1-OE2 3.27Å; L316-E348 HydrophobicContact CD2-CB 4.33Å; L316-E348 HydrophobicContact CD2-CG 4.13Å; L316-L349 HydrophobicContact CD2-CD2 3.93Å; L316-L349 HydrophobicContact CD2-CG 3.94Å; L316-L352 HydrophobicContact CD2-CD1 4.49Å
317	S	50.4	Low	50.4	Low	20 Å²	20	55 Å²	55	14%	0.14	29%	0.29	C	S	.	.	H	α-helix	trans	-51.2	-41.6	174	159.4	0	0	0	0	113.9	L313 S319 C320 L383	L313-S317 WeakPolarHBondContact O-CB 3.39Å; L313-S317 PolarHBondContact O-N 2.91Å; S317-S319 PolarHBondContact O-N 3.14Å; S317-C320 WeakPolarHBondContact O-CB 3.17Å; S317-C320 PolarHBondContact O-N 3.15Å; S317-C320 VanDerWaalsContact O-N 3.13Å; S317-L383 VanDerWaalsContact OG-CD1 3.26Å; S317-L383 WeakPolarHBondContact OG-CD1 3.08Å
318	R	51.1	Low	49.3	Very low	92 Å²	92	55 Å²	55	35%	0.347	30%	0.3	S	S	.	.	H	α-helix	trans	-62.7	-28.3	177.6	-77.1	174.5	165.1	139.7	-5.4	112.9	V282 N314 N315 L316	V282-R318 PolarHBondContact O-NH2 3.14Å; N314-R318 PolarHBondContact O-N 3.08Å; N315-R318 PolarHBondContact O-N 3.49Å; N315-R318 PolarHBondContact OD1-NH1 2.68Å; L316-R318 VanDerWaalsContact C-N 3.31Å; L316-R318 PolarHBondContact O-N 3.38Å
319	S	49.9	Very low	48.2	Very low	71 Å²	71	56.7 Å²	56.7	50%	0.497	30%	0.299	S	S	.	.	H	α-helix	trans	-74.9	-35.2	174.5	-60.7	0	0	0	0	112.4	L316 S317 N321 S322	L316-S319 WeakPolarHBondContact O-CB 3.28Å; L316-S319 PolarHBondContact O-N 2.89Å; S317-S319 PolarHBondContact O-N 3.14Å; S319-N321 PolarHBondContact O-N 2.83Å; S319-S322 PolarHBondContact O-N 3.49Å; S319-S322 PolarHBondContact O-OG 2.83Å
320	C	46.6	Very low	47.3	Very low	3 Å²	3	64.8 Å²	64.8	2%	0.02	34%	0.336	C	S	.	.	H	α-helix	trans	-56.3	-35.3	-179.3	-54.3	0	0	0	0	113.4	L316 S317 S322 V323 L324 L387	L316-C320 PolarHBondContact O-N 3.11Å; L316-C320 PolarHBondContact O-SG 3.26Å; L316-C320 VanDerWaalsContact O-SG 3.32Å; S317-C320 WeakPolarHBondContact O-CB 3.17Å; S317-C320 PolarHBondContact O-N 3.15Å; S317-C320 VanDerWaalsContact O-N 3.13Å; C320-S322 PolarHBondContact O-N 3.4Å; C320-S322 VanDerWaalsContact O-N 3.08Å; C320-V323 PolarHBondContact O-N 3.44Å; C320-L324 PolarHBondContact O-N 3.04Å; C320-L387 HydrophobicContact CB-CD1 4.35Å; C320-L387 HydrophobicContact CB-CD2 4.25Å
321	N	42.8	Very low	46.4	Very low	35 Å²	35	67.2 Å²	67.2	19%	0.187	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-8.9	177.2	-71.8	-13.8	0	0	0	114.1	I279 S319	I279-N321 HydrophobicContact CD1-CB 4.45Å; I279-N321 VanDerWaalsContact CD1-OD1 3.31Å; I279-N321 WeakPolarHBondContact CD1-OD1 3.46Å; S319-N321 PolarHBondContact O-N 2.83Å
322	S	43.5	Very low	45.3	Very low	81 Å²	81	70.1 Å²	70.1	57%	0.566	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-7	169.8	72.7	0	0	0	0	114.2	S319 C320	S319-S322 PolarHBondContact O-N 3.49Å; S319-S322 PolarHBondContact O-OG 2.83Å; C320-S322 PolarHBondContact O-N 3.4Å; C320-S322 VanDerWaalsContact O-N 3.08Å
323	V	40.7	Very low	44.2	Very low	21 Å²	21	68.2 Å²	68.2	13%	0.127	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-33.4	178.4	-178	0	0	0	0	110.9	C320 R341	C320-V323 PolarHBondContact O-N 3.44Å; V323-R341 HydrophobicContact CG2-CG 4.45Å
324	L	37.5	Very low	43.1	Very low	14 Å²	14	69.8 Å²	69.8	7%	0.073	38%	0.384	C	S	.	.	S	Bend	trans	-89.7	-21.1	-178.4	-66.8	178.4	0	0	0	115.3	C320 S327 L387 Q390	C320-L324 PolarHBondContact O-N 3.04Å; L324-S327 PolarHBondContact O-N 3.5Å; L324-S327 VanDerWaalsContact O-N 3.15Å; L324-S327 VanDerWaalsContact O-O 3.06Å; L324-L387 HydrophobicContact CD1-CD2 3.65Å; L324-L387 HydrophobicContact CD1-CG 3.89Å; L324-L387 HydrophobicContact CD2-CD2 4.04Å; L324-L387 HydrophobicContact CG-CD2 3.91Å; L324-Q390 HydrophobicContact CD2-CB 3.76Å
325	Y	40.2	Very low	42.4	Very low	76 Å²	76	71.4 Å²	71.4	30%	0.298	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	99.9	-175.9	-90.9	-123.6	0	0	0	109.7	F277 I279	F277-Y325 HydrophobicContact CB-CE1 3.66Å; F277-Y325 WeakPolarHBondContact CB-OH 3.39Å; I279-Y325 HydrophobicContact CD1-CD2 3.46Å; I279-Y325 VanDerWaalsContact CD1-CD2 3.46Å; I279-Y325 HydrophobicContact CD1-CE2 3.5Å; I279-Y325 HydrophobicContact CD1-CG 4.11Å; I279-Y325 HydrophobicContact CG1-CD1 4.07Å; I279-Y325 HydrophobicContact CG1-CD2 3.62Å; I279-Y325 HydrophobicContact CG1-CE1 3.87Å; I279-Y325 HydrophobicContact CG1-CE2 3.44Å; I279-Y325 VanDerWaalsContact CG1-CE2 3.44Å; I279-Y325 HydrophobicContact CG1-CG 3.94Å
326	H	36.4	Very low	42	Very low	151 Å²	151	70.5 Å²	70.5	70%	0.699	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	cis	-95.8	133.3	4.3	-62	-30.8	0	0	0	110.8	P328	H326-P328 HydrophobicContact CB-CB 4.18Å; H326-P328 HydrophobicContact CB-CG 3.72Å
327	S	32.6	Very low	41.1	Very low	47 Å²	47	72.9 Å²	72.9	33%	0.329	40%	0.402	S	S	.	.			cis	-49.6	127.2	45.4	-159.2	0	0	0	0	120	L324	L324-S327 PolarHBondContact O-N 3.5Å; L324-S327 VanDerWaalsContact O-N 3.15Å; L324-S327 VanDerWaalsContact O-O 3.06Å
328	P	35.9	Very low	40.9	Very low	81 Å²	81	74.7 Å²	74.7	53%	0.526	41%	0.41	S	S	.	.			trans	-131.5	95.1	174.5	38.3	-19.3	0	0	0	112.9	H326	H326-P328 HydrophobicContact CB-CB 4.18Å; H326-P328 HydrophobicContact CB-CG 3.72Å
329	R	39.7	Very low	40.7	Very low	136 Å²	136	70.7 Å²	70.7	51%	0.513	40%	0.396	S	S	.	.	S	Bend	trans	67.7	131.4	-174.8	-54	174.3	167.3	125.3	-1	114.1	I275 D276	I275-R329 PolarHBondContact O-NH2 2.83Å; D276-R329 IonicContact OD1-CZ 2.76Å; D276-R329 IonicContact OD1-NH1 3.24Å; D276-R329 PolarHBondContact OD1-NH1 3.44Å; D276-R329 IonicContact OD1-NH2 2.74Å
330	Q	41.6	Very low	40.6	Very low	192 Å²	192	72.2 Å²	72.2	90%	0.897	40%	0.395	S	S	*	.	S	Bend	trans	33.6	128.2	140.4	-62.4	168.7	-31.4	0	0	119.6
331	G	38.3	Very low	40.5	Very low	65 Å²	65	79.3 Å²	79.3	67%	0.67	42%	0.422	S	S	*	.	S	Bend	trans	110.6	27.4	156.3	0	0	0	0	0	117.7
332	N	39.6	Very low	40.9	Very low	122 Å²	122	78 Å²	78	65%	0.652	42%	0.415	S	S	*	.			trans	67.6	159	160.4	-51.7	2.8	0	0	0	115.1	P852 D853	N332-P852 HydrophobicContact CB-CG 4.05Å; N332-D853 PolarHBondContact ND2-OD2 3.33Å
333	S	38.9	Very low	41.4	Very low	53 Å²	53	76.5 Å²	76.5	37%	0.371	40%	0.401	S	S	.	.			cis	-135.7	115.4	-6	58.8	0	0	0	0	108.3	K335	S333-K335 PolarHBondContact O-N 3.41Å
334	C	32.4	Very low	42	Very low	44 Å²	44	80.7 Å²	80.7	30%	0.297	42%	0.417	S	S	.	.			trans	-66.6	126.6	173.4	-86.9	0	0	0	0	109.8	D338	C334-D338 HydrophobicContact CB-CB 4.2Å; C334-D338 PolarHBondContact SG-OD2 2.99Å
335	K	40.6	Very low	42.9	Very low	85 Å²	85	80.9 Å²	80.9	37%	0.37	42%	0.419	S	S	.	.			trans	-82	156.6	-178.9	-72	169.2	-176.9	169.5	0	109.5	S333 T337 D338 Y1024	S333-K335 PolarHBondContact O-N 3.41Å; K335-T337 PolarHBondContact O-N 2.79Å; K335-D338 PolarHBondContact O-N 2.82Å; K335-Y1024 HydrophobicContact CD-CD2 4.17Å; K335-Y1024 VanDerWaalsContact NZ-CG 3.35Å
336	V	47.8	Very low	43.7	Very low	64 Å²	64	78.8 Å²	78.8	39%	0.388	41%	0.412	S	S	.	.	H	α-helix	trans	-38.3	-22.9	-178.4	-174.8	0	0	0	0	116.4	T339 E340 Y395	V336-T339 CarbonylContact O-C 3.53Å; V336-T339 WeakPolarHBondContact O-CB 3.24Å; V336-T339 PolarHBondContact O-N 2.81Å; V336-E340 WeakPolarHBondContact O-CB 3.33Å; V336-E340 PolarHBondContact O-N 3.24Å; V336-Y395 HydrophobicContact CG2-CE1 4.3Å
337	T	36.2	Very low	44.8	Very low	78 Å²	78	75.3 Å²	75.3	48%	0.479	40%	0.399	S	S	.	.	H	α-helix	trans	-72.8	-26.7	173.9	49.3	0	0	0	0	115	K335	K335-T337 PolarHBondContact O-N 2.79Å
338	D	46.3	Very low	46	Very low	57 Å²	57	77.3 Å²	77.3	31%	0.305	40%	0.403	S	S	.	.	H	α-helix	trans	-76.3	-39.8	163.4	-69.6	-39.5	0	0	0	109.3	C334 K335 E340 R341 S342	C334-D338 HydrophobicContact CB-CB 4.2Å; C334-D338 PolarHBondContact SG-OD2 2.99Å; K335-D338 PolarHBondContact O-N 2.82Å; D338-E340 PolarHBondContact O-N 3.4Å; D338-R341 CarbonylContact O-C 3.5Å; D338-R341 WeakPolarHBondContact O-CB 3.2Å; D338-R341 PolarHBondContact O-N 2.87Å; D338-S342 PolarHBondContact O-N 3.49Å; D338-S342 PolarHBondContact O-OG 3.01Å
339	T	47.3	Very low	47	Very low	9 Å²	9	74 Å²	74	6%	0.055	38%	0.381	C	S	.	.	H	α-helix	trans	-61.4	-45.1	179	-43.1	0	0	0	0	113	V336 R341 S342 N343 Y395	V336-T339 CarbonylContact O-C 3.53Å; V336-T339 WeakPolarHBondContact O-CB 3.24Å; V336-T339 PolarHBondContact O-N 2.81Å; T339-R341 PolarHBondContact O-N 3.47Å; T339-S342 CarbonylContact O-C 3.6Å; T339-S342 WeakPolarHBondContact O-CA 3.43Å; T339-S342 WeakPolarHBondContact O-CB 3.35Å; T339-S342 PolarHBondContact O-N 3.11Å; T339-S342 VanDerWaalsContact O-N 3.09Å; T339-N343 WeakPolarHBondContact O-CB 3.44Å; T339-N343 PolarHBondContact O-N 3.3Å; T339-N343 PolarHBondContact O-OD1 3.06Å; T339-N343 VanDerWaalsContact O-OD1 3.07Å; T339-Y395 HydrophobicContact CG2-CD1 3.53Å; T339-Y395 HydrophobicContact CG2-CD2 4.39Å; T339-Y395 HydrophobicContact CG2-CE1 4.17Å; T339-Y395 HydrophobicContact CG2-CG 3.65Å
340	E	47.1	Very low	48.2	Very low	102 Å²	102	70.1 Å²	70.1	48%	0.477	37%	0.368	S	S	.	.	H	α-helix	trans	-64.8	-32	178.6	-162	-164.3	158.9	0	0	111.2	V336 D338 N343 K344	V336-E340 WeakPolarHBondContact O-CB 3.33Å; V336-E340 PolarHBondContact O-N 3.24Å; D338-E340 PolarHBondContact O-N 3.4Å; E340-N343 PolarHBondContact O-N 3.3Å; E340-K344 PolarHBondContact O-N 2.64Å; E340-K344 IonicContact OE1-NZ 2.89Å; E340-K344 PolarHBondContact OE1-NZ 2.89Å
341	R	45.2	Very low	49.6	Very low	152 Å²	152	65.5 Å²	65.5	57%	0.574	34%	0.343	S	S	*	.	H	α-helix	trans	-74.5	-30.3	174.8	-152	174.2	-165.3	-176.5	2.1	112.4	V323 D338 T339 L345	V323-R341 HydrophobicContact CG2-CG 4.45Å; D338-R341 CarbonylContact O-C 3.5Å; D338-R341 WeakPolarHBondContact O-CB 3.2Å; D338-R341 PolarHBondContact O-N 2.87Å; T339-R341 PolarHBondContact O-N 3.47Å; R341-L345 WeakPolarHBondContact O-CB 3.17Å; R341-L345 PolarHBondContact O-N 3.46Å
342	S	51	Low	50.6	Low	7 Å²	7	62.4 Å²	62.4	5%	0.049	31%	0.311	C	S	.	.	H	α-helix	trans	-76.8	-30.1	167.9	-66.9	0	0	0	0	112.5	D338 T339 L345 L346	D338-S342 PolarHBondContact O-N 3.49Å; D338-S342 PolarHBondContact O-OG 3.01Å; T339-S342 CarbonylContact O-C 3.6Å; T339-S342 WeakPolarHBondContact O-CA 3.43Å; T339-S342 WeakPolarHBondContact O-CB 3.35Å; T339-S342 PolarHBondContact O-N 3.11Å; T339-S342 VanDerWaalsContact O-N 3.09Å; S342-L345 CarbonylContact O-C 3.57Å; S342-L345 WeakPolarHBondContact O-CB 3.46Å; S342-L346 WeakPolarHBondContact O-CB 3.28Å; S342-L346 VanDerWaalsContact O-CD1 3.29Å; S342-L346 WeakPolarHBondContact O-CD1 3.35Å; S342-L346 PolarHBondContact O-N 3.49Å
343	N	54.5	Low	51.7	Low	51 Å²	51	57.4 Å²	57.4	27%	0.273	28%	0.283	S	S	.	.	H	α-helix	trans	-78.6	-47.6	-176.7	-75.2	13.2	0	0	0	111.1	T339 E340 L345 L346 D347	T339-N343 WeakPolarHBondContact O-CB 3.44Å; T339-N343 PolarHBondContact O-N 3.3Å; T339-N343 PolarHBondContact O-OD1 3.06Å; T339-N343 VanDerWaalsContact O-OD1 3.07Å; E340-N343 PolarHBondContact O-N 3.3Å; N343-L345 PolarHBondContact O-N 2.88Å; N343-L346 CarbonylContact O-C 3.5Å; N343-L346 WeakPolarHBondContact O-CA 3.38Å; N343-L346 WeakPolarHBondContact O-CB 3.34Å; N343-L346 PolarHBondContact O-N 3.39Å; N343-D347 PolarHBondContact O-N 3.2Å
344	K	53.1	Low	52.9	Low	108 Å²	108	58.3 Å²	58.3	47%	0.47	28%	0.283	S	S	.	.	H	α-helix	trans	-60.1	-33.7	169.5	-84.3	172	178.1	137.3	0	112.2	E340 E348	E340-K344 PolarHBondContact O-N 2.64Å; E340-K344 IonicContact OE1-NZ 2.89Å; E340-K344 PolarHBondContact OE1-NZ 2.89Å; K344-E348 VanDerWaalsContact O-CB 3.3Å; K344-E348 WeakPolarHBondContact O-CB 3.07Å; K344-E348 PolarHBondContact O-N 2.97Å
345	L	56.2	Low	54.4	Low	19 Å²	19	59.7 Å²	59.7	10%	0.099	29%	0.285	C	S	.	.	H	α-helix	trans	-67.5	-39.9	171.7	-173	82.5	0	0	0	111.3	L316 R341 S342 N343 L349 L387	L316-L345 HydrophobicContact CD1-CD1 4.49Å; L316-L345 HydrophobicContact CD2-CD1 3.97Å; L316-L345 HydrophobicContact CG-CD1 3.8Å; R341-L345 WeakPolarHBondContact O-CB 3.17Å; R341-L345 PolarHBondContact O-N 3.46Å; S342-L345 CarbonylContact O-C 3.57Å; S342-L345 WeakPolarHBondContact O-CB 3.46Å; N343-L345 PolarHBondContact O-N 2.88Å; L345-L349 HydrophobicContact CD2-CD1 4.21Å; L345-L349 HydrophobicContact CG-CD1 3.86Å; L345-L349 HydrophobicContact CG-CG 4.36Å; L345-L349 WeakPolarHBondContact O-CB 3.48Å; L345-L349 WeakPolarHBondContact O-CD1 3.47Å; L345-L349 WeakPolarHBondContact O-CG 3.46Å; L345-L349 PolarHBondContact O-N 3.42Å; L345-L387 HydrophobicContact CD2-CD1 4.01Å; L345-L387 HydrophobicContact CD2-CD2 3.75Å
346	L	57	Low	55.2	Low	31 Å²	31	56 Å²	56	16%	0.162	27%	0.269	C	S	.	.	H	α-helix	trans	-63.5	-47.8	173.4	-111.3	72.6	0	0	0	111.2	S342 N343 E348 L349 H350	S342-L346 WeakPolarHBondContact O-CB 3.28Å; S342-L346 VanDerWaalsContact O-CD1 3.29Å; S342-L346 WeakPolarHBondContact O-CD1 3.35Å; S342-L346 PolarHBondContact O-N 3.49Å; N343-L346 CarbonylContact O-C 3.5Å; N343-L346 WeakPolarHBondContact O-CA 3.38Å; N343-L346 WeakPolarHBondContact O-CB 3.34Å; N343-L346 PolarHBondContact O-N 3.39Å; L346-E348 VanDerWaalsContact C-N 3.31Å; L346-E348 PolarHBondContact O-N 3.15Å; L346-L349 CarbonylContact O-C 3.54Å; L346-L349 PolarHBondContact O-N 3.11Å; L346-H350 WeakPolarHBondContact O-CA 3.45Å; L346-H350 WeakPolarHBondContact O-CB 3.46Å; L346-H350 PolarHBondContact O-N 3.02Å
347	D	58.4	Low	55.9	Low	79 Å²	79	56 Å²	56	42%	0.422	26%	0.264	S	S	.	.	H	α-helix	trans	-56.8	-46.4	177.7	-60.3	-32.3	0	0	0	110.6	N343 H350 R351 Y400	N343-D347 PolarHBondContact O-N 3.2Å; D347-H350 PolarHBondContact O-N 2.86Å; D347-R351 WeakPolarHBondContact O-CB 3.13Å; D347-R351 PolarHBondContact O-N 3.25Å; D347-Y400 PolarHBondContact OD1-OH 3.05Å
348	E	59	Low	57.2	Low	88 Å²	88	57.6 Å²	57.6	41%	0.411	27%	0.266	S	S	.	.	H	α-helix	trans	-75.1	-36	-178.4	-167.1	155.6	-128.9	0	0	112.4	L316 K344 L346 L352	L316-E348 HydrophobicContact CD1-CG 4.34Å; L316-E348 WeakPolarHBondContact CD1-OE2 3.27Å; L316-E348 HydrophobicContact CD2-CB 4.33Å; L316-E348 HydrophobicContact CD2-CG 4.13Å; K344-E348 VanDerWaalsContact O-CB 3.3Å; K344-E348 WeakPolarHBondContact O-CB 3.07Å; K344-E348 PolarHBondContact O-N 2.97Å; L346-E348 VanDerWaalsContact C-N 3.31Å; L346-E348 PolarHBondContact O-N 3.15Å; E348-L352 WeakPolarHBondContact O-CB 3.43Å; E348-L352 VanDerWaalsContact O-CG 3.28Å; E348-L352 WeakPolarHBondContact O-CG 3.45Å; E348-L352 PolarHBondContact O-N 3.24Å; E348-L352 VanDerWaalsContact O-N 3.1Å
349	L	57.1	Low	57.9	Low	13 Å²	13	55 Å²	55	7%	0.068	25%	0.252	C	S	.	.	H	α-helix	trans	-64.8	-37	168.4	-76.4	168.5	0	0	0	112	L313 L316 L345 L346 Y353 I384 L387	L313-L349 HydrophobicContact CD1-CD2 3.96Å; L313-L349 HydrophobicContact CD2-CD2 3.86Å; L313-L349 HydrophobicContact CG-CD2 3.8Å; L316-L349 HydrophobicContact CD2-CD2 3.93Å; L316-L349 HydrophobicContact CD2-CG 3.94Å; L345-L349 HydrophobicContact CD2-CD1 4.21Å; L345-L349 HydrophobicContact CG-CD1 3.86Å; L345-L349 HydrophobicContact CG-CG 4.36Å; L345-L349 WeakPolarHBondContact O-CB 3.48Å; L345-L349 WeakPolarHBondContact O-CD1 3.47Å; L345-L349 WeakPolarHBondContact O-CG 3.46Å; L345-L349 PolarHBondContact O-N 3.42Å; L346-L349 CarbonylContact O-C 3.54Å; L346-L349 PolarHBondContact O-N 3.11Å; L349-Y353 WeakPolarHBondContact O-CA 3.37Å; L349-Y353 WeakPolarHBondContact O-CB 3.41Å; L349-Y353 PolarHBondContact O-N 3.41Å; L349-I384 HydrophobicContact CD1-CG1 4.24Å; L349-I384 HydrophobicContact CD2-CD1 4.21Å; L349-I384 HydrophobicContact CD2-CG1 4.37Å; L349-L387 HydrophobicContact CD1-CD1 4.26Å
350	H	64.8	Low	58.4	Low	53 Å²	53	58 Å²	58	25%	0.245	27%	0.265	C	S	.	.	H	α-helix	trans	-74.9	-43.2	-178.4	-174.7	74.5	0	0	0	110.9	L346 D347 L352 Y353 I354 Y400	L346-H350 WeakPolarHBondContact O-CA 3.45Å; L346-H350 WeakPolarHBondContact O-CB 3.46Å; L346-H350 PolarHBondContact O-N 3.02Å; D347-H350 PolarHBondContact O-N 2.86Å; H350-L352 VanDerWaalsContact C-N 3.31Å; H350-L352 PolarHBondContact O-N 3.39Å; H350-Y353 WeakPolarHBondContact O-CB 3.28Å; H350-Y353 PolarHBondContact O-N 3.04Å; H350-I354 WeakPolarHBondContact O-CG1 3.5Å; H350-I354 PolarHBondContact O-N 2.87Å; H350-Y400 HydrophobicContact CB-CE1 4.08Å; H350-Y400 AromaticContact CD2-CE1 3.91Å; H350-Y400 AromaticContact CG-CE1 3.75Å; H350-Y400 AromaticContact ND1-CE1 3.93Å
351	R	71.8	Confident	59	Low	96 Å²	96	59.6 Å²	59.6	36%	0.362	28%	0.277	S	S	.	.	H	α-helix	trans	-52.1	-50.3	167.9	-176.9	-171.8	71.1	80.3	-10	110.9	E312 D347 Q355	E312-R351 IonicContact OE2-NH2 3.41Å; E312-R351 PolarHBondContact OE2-NH2 3.4Å; D347-R351 WeakPolarHBondContact O-CB 3.13Å; D347-R351 PolarHBondContact O-N 3.25Å; R351-Q355 WeakPolarHBondContact O-CG 3.24Å; R351-Q355 PolarHBondContact O-N 2.75Å; R351-Q355 VanDerWaalsContact O-N 3.14Å
352	L	58.8	Low	59.7	Low	0 Å²	0	57 Å²	57	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-72	-29.3	-180	-71.3	171	0	0	0	113.3	N309 E312 L313 L316 E348 H350 L356	N309-L352 HydrophobicContact CB-CD2 4.26Å; E312-L352 HydrophobicContact CG-CD1 4.15Å; E312-L352 WeakPolarHBondContact OE2-CD2 3.46Å; L313-L352 HydrophobicContact CB-CD1 4.23Å; L313-L352 HydrophobicContact CD1-CB 3.92Å; L313-L352 HydrophobicContact CD1-CD1 4.44Å; L313-L352 HydrophobicContact CG-CD1 4.41Å; L316-L352 HydrophobicContact CD2-CD1 4.49Å; E348-L352 WeakPolarHBondContact O-CB 3.43Å; E348-L352 VanDerWaalsContact O-CG 3.28Å; E348-L352 WeakPolarHBondContact O-CG 3.45Å; E348-L352 PolarHBondContact O-N 3.24Å; E348-L352 VanDerWaalsContact O-N 3.1Å; H350-L352 VanDerWaalsContact C-N 3.31Å; H350-L352 PolarHBondContact O-N 3.39Å; L352-L356 VanDerWaalsContact O-CB 3.27Å; L352-L356 WeakPolarHBondContact O-CB 3.27Å; L352-L356 WeakPolarHBondContact O-CD1 3.49Å; L352-L356 VanDerWaalsContact O-CG 3.28Å; L352-L356 WeakPolarHBondContact O-CG 3.44Å; L352-L356 PolarHBondContact O-N 2.73Å
353	Y	62.3	Low	60.1	Low	17 Å²	17	57.9 Å²	57.9	7%	0.067	28%	0.276	C	S	.	.	H	α-helix	trans	-66.3	-48.5	174.5	171.7	-93.8	0	0	0	111.1	L349 H350 L356 K357 E406 L407	L349-Y353 WeakPolarHBondContact O-CA 3.37Å; L349-Y353 WeakPolarHBondContact O-CB 3.41Å; L349-Y353 PolarHBondContact O-N 3.41Å; H350-Y353 WeakPolarHBondContact O-CB 3.28Å; H350-Y353 PolarHBondContact O-N 3.04Å; Y353-L356 PolarHBondContact O-N 3.33Å; Y353-K357 HydrophobicContact CE1-CD 4.11Å; Y353-K357 WeakPolarHBondContact O-CB 3.38Å; Y353-K357 PolarHBondContact O-N 2.88Å; Y353-E406 PolarHBondContact OH-OE2 3.43Å; Y353-L407 HydrophobicContact CD2-CD2 4.14Å; Y353-L407 HydrophobicContact CE2-CD1 4.38Å; Y353-L407 HydrophobicContact CE2-CD2 3.67Å; Y353-L407 HydrophobicContact CE2-CG 3.98Å
354	I	63.9	Low	59.8	Low	71 Å²	71	60 Å²	60	36%	0.364	29%	0.294	S	S	.	.	H	α-helix	trans	-58.9	-52.5	175.7	-68.9	172.7	0	0	0	109.8	H350 L356 K357 E358	H350-I354 WeakPolarHBondContact O-CG1 3.5Å; H350-I354 PolarHBondContact O-N 2.87Å; I354-L356 PolarHBondContact O-N 3.28Å; I354-L356 VanDerWaalsContact O-N 3.11Å; I354-K357 PolarHBondContact O-N 2.96Å; I354-E358 HydrophobicContact CG2-CG 4.25Å; I354-E358 WeakPolarHBondContact O-CB 3.36Å; I354-E358 WeakPolarHBondContact O-CG 3.44Å; I354-E358 PolarHBondContact O-N 2.74Å
355	Q	63.5	Low	59.3	Low	73 Å²	73	62.8 Å²	62.8	34%	0.341	31%	0.309	S	S	.	.	H	α-helix	trans	-65.3	-16	179.8	-68.2	-179.5	-22	0	0	114.2	N309 R351 A359	N309-Q355 PolarHBondContact ND2-O 3.32Å; R351-Q355 WeakPolarHBondContact O-CG 3.24Å; R351-Q355 PolarHBondContact O-N 2.75Å; R351-Q355 VanDerWaalsContact O-N 3.14Å; Q355-A359 WeakPolarHBondContact O-CB 3.38Å
356	L	58.6	Low	59.1	Low	7 Å²	7	70.7 Å²	70.7	4%	0.037	34%	0.338	C	S	.	.	H	α-helix	trans	-86.7	-42.6	168.7	-82.8	163.9	0	0	0	111.9	C306 N309 L313 L352 Y353 I354 E358 A359 E360	C306-L356 HydrophobicContact CB-CD2 4.36Å; N309-L356 HydrophobicContact CB-CD1 4.22Å; N309-L356 HydrophobicContact CB-CD2 3.82Å; N309-L356 HydrophobicContact CB-CG 3.76Å; L313-L356 HydrophobicContact CD1-CD1 4.19Å; L352-L356 VanDerWaalsContact O-CB 3.27Å; L352-L356 WeakPolarHBondContact O-CB 3.27Å; L352-L356 WeakPolarHBondContact O-CD1 3.49Å; L352-L356 VanDerWaalsContact O-CG 3.28Å; L352-L356 WeakPolarHBondContact O-CG 3.44Å; L352-L356 PolarHBondContact O-N 2.73Å; Y353-L356 PolarHBondContact O-N 3.33Å; I354-L356 PolarHBondContact O-N 3.28Å; I354-L356 VanDerWaalsContact O-N 3.11Å; L356-E358 VanDerWaalsContact C-N 3.34Å; L356-E358 PolarHBondContact O-N 3.49Å; L356-A359 CarbonylContact O-C 3.56Å; L356-A359 PolarHBondContact O-N 3.01Å; L356-E360 VanDerWaalsContact O-CB 3.27Å; L356-E360 WeakPolarHBondContact O-CB 3.4Å; L356-E360 PolarHBondContact O-N 3.4Å
357	K	61.8	Low	58.8	Low	64 Å²	64	74.2 Å²	74.2	28%	0.278	36%	0.356	S	S	.	.	H	α-helix	trans	-64.7	-38.7	178.8	-163.4	-179.5	-173	-174.3	0	111.4	Y353 I354 N361 E406	Y353-K357 HydrophobicContact CE1-CD 4.11Å; Y353-K357 WeakPolarHBondContact O-CB 3.38Å; Y353-K357 PolarHBondContact O-N 2.88Å; I354-K357 PolarHBondContact O-N 2.96Å; K357-N361 PolarHBondContact O-N 3.2Å; K357-N361 VanDerWaalsContact O-N 3.15Å; K357-N361 PolarHBondContact O-ND2 3.48Å; K357-E406 IonicContact NZ-OE1 2.75Å; K357-E406 PolarHBondContact NZ-OE1 2.88Å; K357-E406 IonicContact NZ-OE2 3.92Å; K357-E406 PolarHBondContact NZ-OE2 3.01Å
358	E	62.9	Low	58.4	Low	113 Å²	113	75.2 Å²	75.2	53%	0.528	37%	0.37	S	S	.	.	H	α-helix	trans	-59.2	-50.7	170.8	-71	172.4	160.1	0	0	111.5	I354 L356 E360 N361 E362	I354-E358 HydrophobicContact CG2-CG 4.25Å; I354-E358 WeakPolarHBondContact O-CB 3.36Å; I354-E358 WeakPolarHBondContact O-CG 3.44Å; I354-E358 PolarHBondContact O-N 2.74Å; L356-E358 VanDerWaalsContact C-N 3.34Å; L356-E358 PolarHBondContact O-N 3.49Å; E358-E360 VanDerWaalsContact C-N 3.35Å; E358-E360 PolarHBondContact O-N 2.83Å; E358-N361 PolarHBondContact O-N 3.27Å; E358-E362 PolarHBondContact O-N 3.01Å
359	A	60.7	Low	57.9	Low	1 Å²	1	75.5 Å²	75.5	1%	0.008	37%	0.368	C	S	.	.	H	α-helix	trans	-75.7	-18	-178.2	0	0	0	0	0	114.1	K305 C306 Q355 L356 I363	K305-A359 HydrophobicContact CB-CB 4.12Å; K305-A359 HydrophobicContact CD-CB 4.4Å; C306-A359 WeakPolarHBondContact SG-CB 3.45Å; Q355-A359 WeakPolarHBondContact O-CB 3.38Å; L356-A359 CarbonylContact O-C 3.56Å; L356-A359 PolarHBondContact O-N 3.01Å; A359-I363 VanDerWaalsContact O-CD1 3.27Å; A359-I363 WeakPolarHBondContact O-CD1 3.5Å; A359-I363 VanDerWaalsContact O-CG1 3.3Å; A359-I363 WeakPolarHBondContact O-CG1 3.27Å
360	E	58.4	Low	57.7	Low	72 Å²	72	76.9 Å²	76.9	34%	0.336	38%	0.375	S	S	.	.	H	α-helix	trans	-76.8	-41.2	171.9	-175.5	162.8	-145.6	0	0	111	L356 E358 E362 I363	L356-E360 VanDerWaalsContact O-CB 3.27Å; L356-E360 WeakPolarHBondContact O-CB 3.4Å; L356-E360 PolarHBondContact O-N 3.4Å; E358-E360 VanDerWaalsContact C-N 3.35Å; E358-E360 PolarHBondContact O-N 2.83Å; E360-E362 PolarHBondContact O-N 3.31Å; E360-I363 PolarHBondContact O-N 2.81Å
361	N	60.4	Low	57.1	Low	136 Å²	136	80.4 Å²	80.4	73%	0.727	39%	0.386	S	S	*	.	H	α-helix	trans	-63.2	-24	172.5	-70.7	-30.4	0	0	0	113.2	K357 E358 I363	K357-N361 PolarHBondContact O-N 3.2Å; K357-N361 VanDerWaalsContact O-N 3.15Å; K357-N361 PolarHBondContact O-ND2 3.48Å; E358-N361 PolarHBondContact O-N 3.27Å; N361-I363 VanDerWaalsContact C-N 3.3Å
362	E	59.9	Low	56.1	Low	99 Å²	99	80.4 Å²	80.4	46%	0.463	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-3.4	172.8	-70.1	-178.5	147.2	0	0	113.5	P302 K305 E358 E360	P302-E362 HydrophobicContact CB-CB 3.59Å; P302-E362 HydrophobicContact CG-CB 3.48Å; P302-E362 VanDerWaalsContact CG-CB 3.48Å; P302-E362 HydrophobicContact CG-CG 4.28Å; P302-E362 WeakPolarHBondContact CG-OE2 3.26Å; K305-E362 IonicContact NZ-OE1 3.77Å; K305-E362 PolarHBondContact NZ-OE1 2.92Å; K305-E362 VanDerWaalsContact NZ-OE1 3.14Å; K305-E362 IonicContact NZ-OE2 2.86Å; K305-E362 PolarHBondContact NZ-OE2 2.97Å; E358-E362 PolarHBondContact O-N 3.01Å; E360-E362 PolarHBondContact O-N 3.31Å
363	I	58.1	Low	55.8	Low	25 Å²	25	81.2 Å²	81.2	13%	0.128	39%	0.391	C	S	.	.			trans	-114.4	102.5	-173.2	-68	169.8	0	0	0	111.8	P302 Y303 C306 A359 E360 N361 I370	P302-I363 HydrophobicContact CB-CD1 4.05Å; P302-I363 HydrophobicContact CB-CG1 3.64Å; Y303-I363 HydrophobicContact CD1-CD1 3.93Å; Y303-I363 HydrophobicContact CD1-CG1 4.33Å; Y303-I363 HydrophobicContact CD1-CG2 4.48Å; Y303-I363 HydrophobicContact CD2-CG1 4.47Å; Y303-I363 HydrophobicContact CE1-CD1 4.16Å; Y303-I363 HydrophobicContact CE1-CG1 4.18Å; Y303-I363 HydrophobicContact CE1-CG2 3.66Å; Y303-I363 HydrophobicContact CE2-CG1 4.31Å; Y303-I363 HydrophobicContact CG-CD1 4.23Å; Y303-I363 HydrophobicContact CG-CG1 4.49Å; C306-I363 HydrophobicContact CB-CD1 4.35Å; A359-I363 VanDerWaalsContact O-CD1 3.27Å; A359-I363 WeakPolarHBondContact O-CD1 3.5Å; A359-I363 VanDerWaalsContact O-CG1 3.3Å; A359-I363 WeakPolarHBondContact O-CG1 3.27Å; E360-I363 PolarHBondContact O-N 2.81Å; N361-I363 VanDerWaalsContact C-N 3.3Å; I363-I370 HydrophobicContact CG2-CD1 4.18Å; I363-I370 HydrophobicContact CG2-CG1 4.3Å
364	S	48.2	Very low	55.4	Low	94 Å²	94	82.9 Å²	82.9	66%	0.657	40%	0.399	S	S	*	.			trans	-98.1	139.3	169.5	-164.9	0	0	0	0	112.3
365	E	44	Very low	54.9	Low	168 Å²	168	81.5 Å²	81.5	79%	0.785	40%	0.396	S	S	*	.			trans	47	89.6	164.7	-65.7	-175	166.8	0	0	119.2
366	R	51.1	Low	54.3	Low	185 Å²	185	80.1 Å²	80.1	70%	0.698	39%	0.39	S	S	*	.			trans	-161.4	110.8	139.5	-108.4	156.6	-161.8	-152.4	3.5	113.9	S368 I370	R366-S368 PolarHBondContact O-N 2.97Å; R366-I370 WeakPolarHBondContact O-CB 3.05Å; R366-I370 VanDerWaalsContact O-CG1 3.31Å; R366-I370 WeakPolarHBondContact O-CG1 3.46Å; R366-I370 PolarHBondContact O-N 3.45Å; R366-I370 VanDerWaalsContact O-N 3.14Å
367	D	52	Low	54.1	Low	104 Å²	104	80.8 Å²	80.8	56%	0.556	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-9.8	-153.9	-177.2	48.7	0	0	0	116.9	R371	D367-R371 WeakPolarHBondContact O-CD 3.43Å; D367-R371 WeakPolarHBondContact O-CG 3.39Å; D367-R371 PolarHBondContact O-NE 3.15Å; D367-R371 IonicContact OD1-CZ 2.67Å; D367-R371 IonicContact OD1-NE 3.6Å; D367-R371 PolarHBondContact OD1-NE 2.87Å; D367-R371 IonicContact OD1-NH2 3.33Å; D367-R371 PolarHBondContact OD1-NH2 3.23Å; D367-R371 IonicContact OD2-CZ 2.85Å; D367-R371 VanDerWaalsContact OD2-CZ 3.31Å; D367-R371 IonicContact OD2-NE 2.73Å; D367-R371 PolarHBondContact OD2-NE 2.93Å; D367-R371 IonicContact OD2-NH2 3.31Å; D367-R371 PolarHBondContact OD2-NH2 2.79Å
368	S	48.4	Very low	53.8	Low	101 Å²	101	78 Å²	78	71%	0.706	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-38.9	177.1	57.3	0	0	0	0	113.5	R366 Y372	R366-S368 PolarHBondContact O-N 2.97Å; S368-Y372 PolarHBondContact O-N 3.08Å
369	Y	50	Low	53.4	Low	94 Å²	94	78.1 Å²	78.1	37%	0.369	38%	0.377	S	S	.	.	H	α-helix	trans	-83.3	-32.3	178.5	-158	-106	0	0	0	112.1	W307 R371 Y372 L373	W307-Y369 WeakPolarHBondContact CZ3-OH 3.39Å; Y369-R371 VanDerWaalsContact C-N 3.31Å; Y369-R371 PolarHBondContact O-N 3.02Å; Y369-Y372 HydrophobicContact CE2-CD1 4.17Å; Y369-Y372 WeakPolarHBondContact O-CB 3.45Å; Y369-Y372 PolarHBondContact O-N 3.06Å; Y369-Y372 VanDerWaalsContact O-N 3.09Å; Y369-L373 HydrophobicContact CD1-CD1 3.97Å; Y369-L373 HydrophobicContact CD1-CG 4.23Å; Y369-L373 HydrophobicContact CE1-CD1 4.05Å; Y369-L373 HydrophobicContact CE1-CD2 4.48Å; Y369-L373 HydrophobicContact CE1-CG 4.2Å; Y369-L373 PolarHBondContact O-N 2.84Å
370	I	52.9	Low	53.1	Low	41 Å²	41	79 Å²	79	21%	0.21	38%	0.38	C	S	.	.	H	α-helix	trans	-57.5	-46.1	165.8	-70.9	175.9	0	0	0	109.5	I363 R366 Y372 L373 Q374	I363-I370 HydrophobicContact CG2-CD1 4.18Å; I363-I370 HydrophobicContact CG2-CG1 4.3Å; R366-I370 WeakPolarHBondContact O-CB 3.05Å; R366-I370 VanDerWaalsContact O-CG1 3.31Å; R366-I370 WeakPolarHBondContact O-CG1 3.46Å; R366-I370 PolarHBondContact O-N 3.45Å; R366-I370 VanDerWaalsContact O-N 3.14Å; I370-Y372 VanDerWaalsContact C-N 3.26Å; I370-Y372 PolarHBondContact O-N 3.19Å; I370-L373 PolarHBondContact O-N 3.16Å; I370-Q374 HydrophobicContact CG2-CG 3.98Å; I370-Q374 VanDerWaalsContact O-CB 3.25Å; I370-Q374 WeakPolarHBondContact O-CB 3.48Å; I370-Q374 VanDerWaalsContact O-CG 3.26Å; I370-Q374 WeakPolarHBondContact O-CG 3.4Å; I370-Q374 PolarHBondContact O-N 2.83Å
371	R	51.4	Low	53.1	Low	127 Å²	127	75.9 Å²	75.9	48%	0.479	37%	0.366	S	S	.	.	H	α-helix	trans	-61.3	-29.4	174.2	-72.3	176.3	-154.8	-146	4.2	114.1	D367 Y369 S375	D367-R371 WeakPolarHBondContact O-CD 3.43Å; D367-R371 WeakPolarHBondContact O-CG 3.39Å; D367-R371 PolarHBondContact O-NE 3.15Å; D367-R371 IonicContact OD1-CZ 2.67Å; D367-R371 IonicContact OD1-NE 3.6Å; D367-R371 PolarHBondContact OD1-NE 2.87Å; D367-R371 IonicContact OD1-NH2 3.33Å; D367-R371 PolarHBondContact OD1-NH2 3.23Å; D367-R371 IonicContact OD2-CZ 2.85Å; D367-R371 VanDerWaalsContact OD2-CZ 3.31Å; D367-R371 IonicContact OD2-NE 2.73Å; D367-R371 PolarHBondContact OD2-NE 2.93Å; D367-R371 IonicContact OD2-NH2 3.31Å; D367-R371 PolarHBondContact OD2-NH2 2.79Å; Y369-R371 VanDerWaalsContact C-N 3.31Å; Y369-R371 PolarHBondContact O-N 3.02Å; R371-S375 VanDerWaalsContact O-CB 3.28Å; R371-S375 WeakPolarHBondContact O-CB 3.39Å; R371-S375 PolarHBondContact O-N 3.1Å
372	Y	50.7	Low	52.9	Low	96 Å²	96	72 Å²	72	38%	0.376	34%	0.343	S	S	.	.	H	α-helix	trans	-71.2	-48.3	173.3	-179.8	-100.4	0	0	0	111.4	W307 S368 Y369 I370 S375 I376	W307-Y372 AromaticContact CZ3-CE1 3.92Å; W307-Y372 HydrophobicContact CZ3-CE1 3.92Å; S368-Y372 PolarHBondContact O-N 3.08Å; Y369-Y372 HydrophobicContact CE2-CD1 4.17Å; Y369-Y372 WeakPolarHBondContact O-CB 3.45Å; Y369-Y372 PolarHBondContact O-N 3.06Å; Y369-Y372 VanDerWaalsContact O-N 3.09Å; I370-Y372 VanDerWaalsContact C-N 3.26Å; I370-Y372 PolarHBondContact O-N 3.19Å; Y372-S375 WeakPolarHBondContact O-CB 3.38Å; Y372-S375 PolarHBondContact O-N 3.2Å; Y372-S375 VanDerWaalsContact O-N 3.07Å; Y372-S375 PolarHBondContact O-OG 3.43Å; Y372-I376 HydrophobicContact CD1-CD1 4.02Å; Y372-I376 HydrophobicContact CE1-CD1 3.45Å; Y372-I376 VanDerWaalsContact CE1-CD1 3.45Å; Y372-I376 PolarHBondContact O-N 2.9Å; Y372-I376 VanDerWaalsContact O-N 3.11Å
373	L	51.9	Low	52.6	Low	18 Å²	18	69.4 Å²	69.4	9%	0.094	33%	0.333	C	S	.	.	H	α-helix	trans	-61.8	-47.5	174.8	-68.9	172.9	0	0	0	111.4	Y369 I370 S375 I376 I377	Y369-L373 HydrophobicContact CD1-CD1 3.97Å; Y369-L373 HydrophobicContact CD1-CG 4.23Å; Y369-L373 HydrophobicContact CE1-CD1 4.05Å; Y369-L373 HydrophobicContact CE1-CD2 4.48Å; Y369-L373 HydrophobicContact CE1-CG 4.2Å; Y369-L373 PolarHBondContact O-N 2.84Å; I370-L373 PolarHBondContact O-N 3.16Å; L373-S375 PolarHBondContact O-N 2.98Å; L373-I376 CarbonylContact O-C 3.55Å; L373-I376 WeakPolarHBondContact O-CA 3.25Å; L373-I376 WeakPolarHBondContact O-CB 3.28Å; L373-I376 PolarHBondContact O-N 2.84Å; L373-I377 WeakPolarHBondContact O-CB 3.14Å; L373-I377 WeakPolarHBondContact O-CG1 3.14Å; L373-I377 PolarHBondContact O-N 3.24Å
374	Q	54.6	Low	52.4	Low	51 Å²	51	69 Å²	69	24%	0.238	33%	0.33	C	S	.	.	H	α-helix	trans	-55.7	-33.7	169.8	-73.8	174.3	-24.7	0	0	112.5	I370 I376 F378 V414	I370-Q374 HydrophobicContact CG2-CG 3.98Å; I370-Q374 VanDerWaalsContact O-CB 3.25Å; I370-Q374 WeakPolarHBondContact O-CB 3.48Å; I370-Q374 VanDerWaalsContact O-CG 3.26Å; I370-Q374 WeakPolarHBondContact O-CG 3.4Å; I370-Q374 PolarHBondContact O-N 2.83Å; Q374-I376 VanDerWaalsContact C-N 3.34Å; Q374-F378 WeakPolarHBondContact O-CB 3.26Å; Q374-F378 PolarHBondContact O-N 2.95Å; Q374-V414 HydrophobicContact CB-CG1 4.3Å
375	S	52.9	Low	52.8	Low	43 Å²	43	66 Å²	66	30%	0.301	31%	0.306	S	S	.	.	H	α-helix	trans	-71.7	-29.1	175.6	82.4	0	0	0	0	113.1	R371 Y372 L373 R379	R371-S375 VanDerWaalsContact O-CB 3.28Å; R371-S375 WeakPolarHBondContact O-CB 3.39Å; R371-S375 PolarHBondContact O-N 3.1Å; Y372-S375 WeakPolarHBondContact O-CB 3.38Å; Y372-S375 PolarHBondContact O-N 3.2Å; Y372-S375 VanDerWaalsContact O-N 3.07Å; Y372-S375 PolarHBondContact O-OG 3.43Å; L373-S375 PolarHBondContact O-N 2.98Å; S375-R379 WeakPolarHBondContact O-CB 3.4Å; S375-R379 PolarHBondContact O-N 2.74Å; S375-R379 VanDerWaalsContact O-N 3.15Å
376	I	51.7	Low	53.3	Low	43 Å²	43	63.5 Å²	63.5	22%	0.221	29%	0.294	C	S	.	.	H	α-helix	trans	-77	-46.6	172.7	-66.5	170.7	0	0	0	109.9	A310 Y372 L373 Q374 F378 R379 R380	A310-I376 HydrophobicContact CB-CG2 4.31Å; Y372-I376 HydrophobicContact CD1-CD1 4.02Å; Y372-I376 HydrophobicContact CE1-CD1 3.45Å; Y372-I376 VanDerWaalsContact CE1-CD1 3.45Å; Y372-I376 PolarHBondContact O-N 2.9Å; Y372-I376 VanDerWaalsContact O-N 3.11Å; L373-I376 CarbonylContact O-C 3.55Å; L373-I376 WeakPolarHBondContact O-CA 3.25Å; L373-I376 WeakPolarHBondContact O-CB 3.28Å; L373-I376 PolarHBondContact O-N 2.84Å; Q374-I376 VanDerWaalsContact C-N 3.34Å; I376-F378 PolarHBondContact O-N 3.19Å; I376-R379 CarbonylContact O-C 3.54Å; I376-R379 WeakPolarHBondContact O-CA 3.24Å; I376-R379 WeakPolarHBondContact O-CB 3.34Å; I376-R379 PolarHBondContact O-N 2.89Å; I376-R379 VanDerWaalsContact O-N 3.08Å; I376-R380 PolarHBondContact O-N 3.44Å
377	I	54.3	Low	53.3	Low	22 Å²	22	55.1 Å²	55.1	11%	0.113	26%	0.263	C	S	.	.	H	α-helix	trans	-59.2	-45.2	174.4	-70.7	165.3	0	0	0	110.3	L373 R379 R380 D381	L373-I377 WeakPolarHBondContact O-CB 3.14Å; L373-I377 WeakPolarHBondContact O-CG1 3.14Å; L373-I377 PolarHBondContact O-N 3.24Å; I377-R379 VanDerWaalsContact C-N 3.31Å; I377-R379 PolarHBondContact O-N 2.82Å; I377-R380 CarbonylContact O-C 3.57Å; I377-R380 WeakPolarHBondContact O-CA 3.42Å; I377-R380 VanDerWaalsContact O-CB 3.3Å; I377-R380 WeakPolarHBondContact O-CB 3.35Å; I377-R380 PolarHBondContact O-N 3.08Å; I377-R380 VanDerWaalsContact O-N 3.15Å; I377-D381 WeakPolarHBondContact CG2-OD2 3.43Å; I377-D381 WeakPolarHBondContact O-CB 3.25Å; I377-D381 PolarHBondContact O-N 3.44Å
378	F	56.1	Low	53.5	Low	5 Å²	5	51.4 Å²	51.4	2%	0.022	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-32.6	173.7	179.1	-118.7	0	0	0	113	Q374 I376 Q382 T411 V414 H415 C418	Q374-F378 WeakPolarHBondContact O-CB 3.26Å; Q374-F378 PolarHBondContact O-N 2.95Å; I376-F378 PolarHBondContact O-N 3.19Å; F378-Q382 HydrophobicContact CD2-CG 4.26Å; F378-Q382 HydrophobicContact CE2-CG 3.74Å; F378-Q382 VanDerWaalsContact CZ-CD 3.43Å; F378-Q382 HydrophobicContact CZ-CG 3.88Å; F378-Q382 WeakPolarHBondContact O-CB 3.2Å; F378-Q382 WeakPolarHBondContact O-CG 3.37Å; F378-Q382 PolarHBondContact O-N 3.44Å; F378-Q382 VanDerWaalsContact O-N 3.08Å; F378-T411 HydrophobicContact CD2-CG2 4.19Å; F378-T411 HydrophobicContact CE2-CG2 3.82Å; F378-V414 HydrophobicContact CB-CB 4.44Å; F378-V414 HydrophobicContact CB-CG1 3.76Å; F378-V414 HydrophobicContact CD2-CB 4.22Å; F378-V414 HydrophobicContact CD2-CG1 4.3Å; F378-V414 HydrophobicContact CG-CG1 4.11Å; F378-H415 VanDerWaalsContact CE2-CA 3.5Å; F378-H415 HydrophobicContact CE2-CB 3.51Å; F378-H415 AromaticContact CE2-CG 3.9Å; F378-H415 HydrophobicContact CZ-CB 3.59Å; F378-H415 AromaticContact CZ-CD2 3.67Å; F378-H415 AromaticContact CZ-CG 3.48Å; F378-H415 VanDerWaalsContact CZ-CG 3.48Å; F378-H415 AromaticContact CZ-ND1 3.91Å; F378-C418 HydrophobicContact CD1-CB 3.9Å; F378-C418 HydrophobicContact CE1-CB 4.01Å
379	R	53.7	Low	53.8	Low	115 Å²	115	53 Å²	53	43%	0.434	24%	0.237	S	C	.	.	H	α-helix	trans	-70.3	-40.2	171.2	-112.9	67.3	-161.7	113.3	15.7	112	S375 I376 I377 L383	S375-R379 WeakPolarHBondContact O-CB 3.4Å; S375-R379 PolarHBondContact O-N 2.74Å; S375-R379 VanDerWaalsContact O-N 3.15Å; I376-R379 CarbonylContact O-C 3.54Å; I376-R379 WeakPolarHBondContact O-CA 3.24Å; I376-R379 WeakPolarHBondContact O-CB 3.34Å; I376-R379 PolarHBondContact O-N 2.89Å; I376-R379 VanDerWaalsContact O-N 3.08Å; I377-R379 VanDerWaalsContact C-N 3.31Å; I377-R379 PolarHBondContact O-N 2.82Å; R379-L383 WeakPolarHBondContact O-CB 3.39Å; R379-L383 WeakPolarHBondContact O-CD1 3.39Å; R379-L383 WeakPolarHBondContact O-CG 3.49Å; R379-L383 PolarHBondContact O-N 3.23Å; R379-L383 VanDerWaalsContact O-N 3.09Å
380	R	54.4	Low	53.7	Low	19 Å²	19	51.9 Å²	51.9	7%	0.072	24%	0.236	C	C	.	.	H	α-helix	trans	-57.4	-53.4	171	167.3	-167.9	83.4	170	8.6	109.8	L313 I376 I377 Q382 L383 I384	L313-R380 HydrophobicContact CD1-CG 4.16Å; L313-R380 HydrophobicContact CD2-CB 4.07Å; L313-R380 HydrophobicContact CD2-CG 3.56Å; I376-R380 PolarHBondContact O-N 3.44Å; I377-R380 CarbonylContact O-C 3.57Å; I377-R380 WeakPolarHBondContact O-CA 3.42Å; I377-R380 VanDerWaalsContact O-CB 3.3Å; I377-R380 WeakPolarHBondContact O-CB 3.35Å; I377-R380 PolarHBondContact O-N 3.08Å; I377-R380 VanDerWaalsContact O-N 3.15Å; R380-Q382 PolarHBondContact O-N 3.31Å; R380-L383 CarbonylContact O-C 3.59Å; R380-L383 WeakPolarHBondContact O-CA 3.42Å; R380-L383 WeakPolarHBondContact O-CB 3.14Å; R380-L383 PolarHBondContact O-N 3.29Å; R380-I384 HydrophobicContact CG-CD1 3.56Å; R380-I384 HydrophobicContact CG-CG1 4.18Å; R380-I384 WeakPolarHBondContact O-CG1 3.41Å; R380-I384 PolarHBondContact O-N 2.85Å
381	D	58.2	Low	53.4	Low	8 Å²	8	51 Å²	51	4%	0.043	23%	0.233	C	C	.	.	H	α-helix	trans	-71.2	-33.8	-171.2	-60.5	-13.9	0	0	0	111.4	I377 L383 I384 Q385 L407 T411	I377-D381 WeakPolarHBondContact CG2-OD2 3.43Å; I377-D381 WeakPolarHBondContact O-CB 3.25Å; I377-D381 PolarHBondContact O-N 3.44Å; D381-L383 VanDerWaalsContact C-N 3.35Å; D381-I384 PolarHBondContact O-N 2.98Å; D381-Q385 WeakPolarHBondContact O-CB 3.38Å; D381-Q385 WeakPolarHBondContact O-CG 3.36Å; D381-Q385 PolarHBondContact O-N 3.08Å; D381-L407 HydrophobicContact CB-CD2 4.26Å; D381-L407 WeakPolarHBondContact OD1-CD2 3.31Å; D381-T411 WeakPolarHBondContact CB-OG1 3.49Å
382	Q	57.5	Low	53.1	Low	53 Å²	53	47.6 Å²	47.6	25%	0.248	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-35.2	167.2	-72.4	-154.1	-51.3	0	0	113	F378 R380 Q386 T411	F378-Q382 HydrophobicContact CD2-CG 4.26Å; F378-Q382 HydrophobicContact CE2-CG 3.74Å; F378-Q382 VanDerWaalsContact CZ-CD 3.43Å; F378-Q382 HydrophobicContact CZ-CG 3.88Å; F378-Q382 WeakPolarHBondContact O-CB 3.2Å; F378-Q382 WeakPolarHBondContact O-CG 3.37Å; F378-Q382 PolarHBondContact O-N 3.44Å; F378-Q382 VanDerWaalsContact O-N 3.08Å; R380-Q382 PolarHBondContact O-N 3.31Å; Q382-Q386 WeakPolarHBondContact O-CB 3.33Å; Q382-Q386 VanDerWaalsContact O-CG 3.28Å; Q382-Q386 WeakPolarHBondContact O-CG 3.41Å; Q382-Q386 PolarHBondContact O-N 2.76Å; Q382-T411 HydrophobicContact CG-CG2 4.18Å
383	L	52.6	Low	53.1	Low	45 Å²	45	50.2 Å²	50.2	24%	0.236	24%	0.242	C	C	.	.	H	α-helix	trans	-71.1	-40.7	173.7	-81.7	162.2	0	0	0	112.3	S317 R379 R380 D381 Q386 L387	S317-L383 VanDerWaalsContact OG-CD1 3.26Å; S317-L383 WeakPolarHBondContact OG-CD1 3.08Å; R379-L383 WeakPolarHBondContact O-CB 3.39Å; R379-L383 WeakPolarHBondContact O-CD1 3.39Å; R379-L383 WeakPolarHBondContact O-CG 3.49Å; R379-L383 PolarHBondContact O-N 3.23Å; R379-L383 VanDerWaalsContact O-N 3.09Å; R380-L383 CarbonylContact O-C 3.59Å; R380-L383 WeakPolarHBondContact O-CA 3.42Å; R380-L383 WeakPolarHBondContact O-CB 3.14Å; R380-L383 PolarHBondContact O-N 3.29Å; D381-L383 VanDerWaalsContact C-N 3.35Å; L383-Q386 CarbonylContact O-C 3.52Å; L383-Q386 PolarHBondContact O-N 3.15Å; L383-L387 WeakPolarHBondContact O-CB 3.37Å; L383-L387 WeakPolarHBondContact O-CG 3.45Å; L383-L387 PolarHBondContact O-N 3.17Å
384	I	54.1	Low	52.7	Low	16 Å²	16	53.3 Å²	53.3	8%	0.082	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-43.7	175.5	-67.4	176.6	0	0	0	109.8	L349 R380 D381 Q386 L387 I388 L407	L349-I384 HydrophobicContact CD1-CG1 4.24Å; L349-I384 HydrophobicContact CD2-CD1 4.21Å; L349-I384 HydrophobicContact CD2-CG1 4.37Å; R380-I384 HydrophobicContact CG-CD1 3.56Å; R380-I384 HydrophobicContact CG-CG1 4.18Å; R380-I384 WeakPolarHBondContact O-CG1 3.41Å; R380-I384 PolarHBondContact O-N 2.85Å; D381-I384 PolarHBondContact O-N 2.98Å; I384-Q386 VanDerWaalsContact C-N 3.33Å; I384-Q386 PolarHBondContact O-N 3.49Å; I384-L387 WeakPolarHBondContact O-CB 3.21Å; I384-L387 PolarHBondContact O-N 3.11Å; I384-I388 HydrophobicContact CG2-CD1 3.65Å; I384-I388 HydrophobicContact CG2-CG1 4.34Å; I384-I388 WeakPolarHBondContact O-CB 3.31Å; I384-I388 VanDerWaalsContact O-CG1 3.27Å; I384-I388 WeakPolarHBondContact O-CG1 3.3Å; I384-I388 PolarHBondContact O-N 2.95Å; I384-L407 HydrophobicContact CG2-CD1 4.23Å
385	Q	57.3	Low	52.4	Low	32 Å²	32	54.5 Å²	54.5	15%	0.15	27%	0.268	C	S	.	.	H	α-helix	trans	-63.3	-36	171.8	-75.1	-166.9	21.7	0	0	113.1	D381 K389 T411	D381-Q385 WeakPolarHBondContact O-CB 3.38Å; D381-Q385 WeakPolarHBondContact O-CG 3.36Å; D381-Q385 PolarHBondContact O-N 3.08Å; Q385-K389 VanDerWaalsContact O-CB 3.24Å; Q385-K389 WeakPolarHBondContact O-CB 3.24Å; Q385-K389 WeakPolarHBondContact O-CG 3.37Å; Q385-K389 PolarHBondContact O-N 2.63Å; Q385-K389 VanDerWaalsContact OE1-NZ 3.15Å; Q385-T411 VanDerWaalsContact NE2-CB 3.26Å; Q385-T411 PolarHBondContact NE2-OG1 3.5Å; Q385-T411 VanDerWaalsContact NE2-OG1 3.14Å
386	Q	54.1	Low	52.4	Low	115 Å²	115	53.7 Å²	53.7	54%	0.537	26%	0.26	S	S	.	.	H	α-helix	trans	-72.5	-27.7	175.2	-78.5	-178.4	-14.2	0	0	113.1	Q382 L383 I384 Q390	Q382-Q386 WeakPolarHBondContact O-CB 3.33Å; Q382-Q386 VanDerWaalsContact O-CG 3.28Å; Q382-Q386 WeakPolarHBondContact O-CG 3.41Å; Q382-Q386 PolarHBondContact O-N 2.76Å; L383-Q386 CarbonylContact O-C 3.52Å; L383-Q386 PolarHBondContact O-N 3.15Å; I384-Q386 VanDerWaalsContact C-N 3.33Å; I384-Q386 PolarHBondContact O-N 3.49Å; Q386-Q390 WeakPolarHBondContact O-CG 3.12Å; Q386-Q390 PolarHBondContact O-NE2 2.94Å
387	L	49.8	Very low	52.4	Low	9 Å²	9	53.7 Å²	53.7	5%	0.047	26%	0.263	C	S	.	.	H	α-helix	trans	-69	-54.9	168.7	-81.8	154.8	0	0	0	110.4	C320 L324 L345 L349 L383 I384 K389 Q390 V391	C320-L387 HydrophobicContact CB-CD1 4.35Å; C320-L387 HydrophobicContact CB-CD2 4.25Å; L324-L387 HydrophobicContact CD1-CD2 3.65Å; L324-L387 HydrophobicContact CD1-CG 3.89Å; L324-L387 HydrophobicContact CD2-CD2 4.04Å; L324-L387 HydrophobicContact CG-CD2 3.91Å; L345-L387 HydrophobicContact CD2-CD1 4.01Å; L345-L387 HydrophobicContact CD2-CD2 3.75Å; L349-L387 HydrophobicContact CD1-CD1 4.26Å; L383-L387 WeakPolarHBondContact O-CB 3.37Å; L383-L387 WeakPolarHBondContact O-CG 3.45Å; L383-L387 PolarHBondContact O-N 3.17Å; I384-L387 WeakPolarHBondContact O-CB 3.21Å; I384-L387 PolarHBondContact O-N 3.11Å; L387-K389 VanDerWaalsContact C-N 3.34Å; L387-K389 PolarHBondContact O-N 2.91Å; L387-Q390 CarbonylContact O-C 3.48Å; L387-Q390 WeakPolarHBondContact O-CA 3.44Å; L387-Q390 PolarHBondContact O-N 3.48Å; L387-V391 PolarHBondContact O-N 3.01Å; L387-V391 VanDerWaalsContact O-N 3.1Å
388	I	56	Low	52.4	Low	26 Å²	26	61.3 Å²	61.3	13%	0.133	30%	0.298	C	S	.	.	H	α-helix	trans	-57	-45.7	179.5	-68.9	166.7	0	0	0	110.8	I384 Q390 V391 I396 I404	I384-I388 HydrophobicContact CG2-CD1 3.65Å; I384-I388 HydrophobicContact CG2-CG1 4.34Å; I384-I388 WeakPolarHBondContact O-CB 3.31Å; I384-I388 VanDerWaalsContact O-CG1 3.27Å; I384-I388 WeakPolarHBondContact O-CG1 3.3Å; I384-I388 PolarHBondContact O-N 2.95Å; I388-Q390 PolarHBondContact O-N 3.42Å; I388-Q390 VanDerWaalsContact O-N 3.08Å; I388-V391 PolarHBondContact O-N 3.48Å; I388-I396 HydrophobicContact CG2-CD1 3.93Å; I388-I404 HydrophobicContact CD1-CD1 4.01Å; I388-I404 HydrophobicContact CD1-CG1 3.82Å; I388-I404 HydrophobicContact CD1-CG2 4.07Å
389	K	55.1	Low	52.1	Low	134 Å²	134	68.3 Å²	68.3	58%	0.583	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	2.9	178.5	-69.8	166.3	-178.4	161.6	0	114.3	Q385 L387 E408	Q385-K389 VanDerWaalsContact O-CB 3.24Å; Q385-K389 WeakPolarHBondContact O-CB 3.24Å; Q385-K389 WeakPolarHBondContact O-CG 3.37Å; Q385-K389 PolarHBondContact O-N 2.63Å; Q385-K389 VanDerWaalsContact OE1-NZ 3.15Å; L387-K389 VanDerWaalsContact C-N 3.34Å; L387-K389 PolarHBondContact O-N 2.91Å; K389-E408 WeakPolarHBondContact CE-OE1 3.25Å; K389-E408 IonicContact NZ-OE1 3.62Å; K389-E408 PolarHBondContact NZ-OE1 2.73Å
390	Q	48.4	Very low	52	Low	72 Å²	72	64.4 Å²	64.4	34%	0.336	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-4.8	168.7	-74.1	174.8	87.2	0	0	113	L324 Q386 L387 I388	L324-Q390 HydrophobicContact CD2-CB 3.76Å; Q386-Q390 WeakPolarHBondContact O-CG 3.12Å; Q386-Q390 PolarHBondContact O-NE2 2.94Å; L387-Q390 CarbonylContact O-C 3.48Å; L387-Q390 WeakPolarHBondContact O-CA 3.44Å; L387-Q390 PolarHBondContact O-N 3.48Å; I388-Q390 PolarHBondContact O-N 3.42Å; I388-Q390 VanDerWaalsContact O-N 3.08Å
391	V	46.2	Very low	52.3	Low	23 Å²	23	67.5 Å²	67.5	14%	0.139	33%	0.329	C	S	.	.	S	Bend	trans	-94.8	122.8	167.3	173.8	0	0	0	0	107.9	L387 I388 E393	L387-V391 PolarHBondContact O-N 3.01Å; L387-V391 VanDerWaalsContact O-N 3.1Å; I388-V391 PolarHBondContact O-N 3.48Å; V391-E393 PolarHBondContact O-N 3.23Å
392	P	44.7	Very low	52.1	Low	54 Å²	54	75 Å²	75	35%	0.351	36%	0.363	S	S	.	.			trans	-57.3	138.6	175.3	-25.8	33.9	0	0	0	111.9	S394 Y395	P392-S394 PolarHBondContact O-N 3.4Å; P392-Y395 HydrophobicContact CB-CD2 4.11Å; P392-Y395 HydrophobicContact CG-CD2 4.22Å; P392-Y395 WeakPolarHBondContact O-CB 3.24Å; P392-Y395 PolarHBondContact O-N 2.98Å
393	E	51	Low	51.8	Low	152 Å²	152	73.7 Å²	73.7	71%	0.71	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-49.6	-28	-176.1	-165.7	173.9	-113.3	0	0	114.1	V391 Y395 Y401	V391-E393 PolarHBondContact O-N 3.23Å; E393-Y395 PolarHBondContact O-N 3.32Å; E393-Y395 VanDerWaalsContact O-N 3.15Å; E393-Y401 PolarHBondContact O-OH 2.97Å
394	S	44.6	Very low	52	Low	82 Å²	82	72.6 Å²	72.6	57%	0.573	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-70.2	4.5	173.4	59.1	0	0	0	0	116	P392	P392-S394 PolarHBondContact O-N 3.4Å
395	Y	47.8	Very low	52.3	Low	76 Å²	76	76.9 Å²	76.9	30%	0.298	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-124.8	7.8	-178	-74	-57.6	0	0	0	114.1	V336 T339 P392 E393	V336-Y395 HydrophobicContact CG2-CE1 4.3Å; T339-Y395 HydrophobicContact CG2-CD1 3.53Å; T339-Y395 HydrophobicContact CG2-CD2 4.39Å; T339-Y395 HydrophobicContact CG2-CE1 4.17Å; T339-Y395 HydrophobicContact CG2-CG 3.65Å; P392-Y395 HydrophobicContact CB-CD2 4.11Å; P392-Y395 HydrophobicContact CG-CD2 4.22Å; P392-Y395 WeakPolarHBondContact O-CB 3.24Å; P392-Y395 PolarHBondContact O-N 2.98Å; E393-Y395 PolarHBondContact O-N 3.32Å; E393-Y395 VanDerWaalsContact O-N 3.15Å
396	I	52.3	Low	52.3	Low	26 Å²	26	79.4 Å²	79.4	13%	0.133	39%	0.389	C	S	.	.	S	Bend	trans	-95.3	116.9	171.9	-59.3	170.6	0	0	0	107.2	I388 Y401 I404	I388-I396 HydrophobicContact CG2-CD1 3.93Å; I396-Y401 HydrophobicContact CB-CE2 3.88Å; I396-Y401 HydrophobicContact CG2-CD2 3.85Å; I396-Y401 HydrophobicContact CG2-CE2 3.61Å; I396-Y401 WeakPolarHBondContact O-CE2 3.31Å; I396-I404 HydrophobicContact CD1-CD1 4.36Å; I396-I404 HydrophobicContact CG2-CD1 3.5Å
397	P	52	Low	52.2	Low	44 Å²	44	74.6 Å²	74.6	29%	0.286	37%	0.367	S	S	.	.			trans	-67.2	147.9	177.3	-12.9	26.4	0	0	0	110.9	E399 Y400	P397-E399 VanDerWaalsContact C-N 3.26Å; P397-E399 HydrophobicContact CB-CG 4.33Å; P397-E399 PolarHBondContact O-N 3.34Å; P397-Y400 HydrophobicContact CB-CD2 3.84Å; P397-Y400 HydrophobicContact CB-CE2 4.25Å; P397-Y400 HydrophobicContact CG-CD2 3.76Å; P397-Y400 HydrophobicContact CG-CE2 3.99Å; P397-Y400 PolarHBondContact O-N 3.44Å
398	E	55.5	Low	52.5	Low	181 Å²	181	76.6 Å²	76.6	85%	0.846	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-59.8	-36	-166.6	-156.9	160.9	-134.1	0	0	112.7	Y400 Y401	E398-Y400 PolarHBondContact O-N 2.69Å; E398-Y401 PolarHBondContact O-N 2.78Å
399	E	48.3	Very low	52.4	Low	153 Å²	153	77.1 Å²	77.1	72%	0.715	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-59.5	-21.1	174.5	65.9	-161.6	161.9	0	0	114.9	P397	P397-E399 VanDerWaalsContact C-N 3.26Å; P397-E399 HydrophobicContact CB-CG 4.33Å; P397-E399 PolarHBondContact O-N 3.34Å
400	Y	52.5	Low	52.3	Low	33 Å²	33	75.6 Å²	75.6	13%	0.129	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-89.3	-14.8	179.5	-70.9	-84.8	0	0	0	114.2	D347 H350 P397 E398 E402 S403 I404	D347-Y400 PolarHBondContact OD1-OH 3.05Å; H350-Y400 HydrophobicContact CB-CE1 4.08Å; H350-Y400 AromaticContact CD2-CE1 3.91Å; H350-Y400 AromaticContact CG-CE1 3.75Å; H350-Y400 AromaticContact ND1-CE1 3.93Å; P397-Y400 HydrophobicContact CB-CD2 3.84Å; P397-Y400 HydrophobicContact CB-CE2 4.25Å; P397-Y400 HydrophobicContact CG-CD2 3.76Å; P397-Y400 HydrophobicContact CG-CE2 3.99Å; P397-Y400 PolarHBondContact O-N 3.44Å; E398-Y400 PolarHBondContact O-N 2.69Å; Y400-E402 VanDerWaalsContact C-N 3.3Å; Y400-E402 PolarHBondContact O-N 3.27Å; Y400-S403 PolarHBondContact O-N 2.59Å; Y400-I404 WeakPolarHBondContact O-CB 3.33Å; Y400-I404 VanDerWaalsContact O-CG1 3.27Å; Y400-I404 WeakPolarHBondContact O-CG1 3.31Å; Y400-I404 PolarHBondContact O-N 3.31Å
401	Y	60.6	Low	52.5	Low	84 Å²	84	72.5 Å²	72.5	33%	0.329	37%	0.369	S	S	.	.	H	α-helix	trans	-61.8	-36.5	-175.7	-86.5	-97.6	0	0	0	112.9	E393 I396 E398 I404 N405	E393-Y401 PolarHBondContact O-OH 2.97Å; I396-Y401 HydrophobicContact CB-CE2 3.88Å; I396-Y401 HydrophobicContact CG2-CD2 3.85Å; I396-Y401 HydrophobicContact CG2-CE2 3.61Å; I396-Y401 WeakPolarHBondContact O-CE2 3.31Å; E398-Y401 PolarHBondContact O-N 2.78Å; Y401-I404 PolarHBondContact O-N 3Å; Y401-N405 WeakPolarHBondContact O-CB 3.37Å; Y401-N405 VanDerWaalsContact O-CG 3.26Å; Y401-N405 PolarHBondContact O-N 3.18Å; Y401-N405 PolarHBondContact O-ND2 2.96Å; Y401-N405 VanDerWaalsContact O-ND2 3.13Å
402	E	53.2	Low	52.9	Low	164 Å²	164	77.4 Å²	77.4	77%	0.766	39%	0.388	S	S	*	.	H	α-helix	trans	-65.9	-44.7	179	-164.4	165.6	-129.8	0	0	111.5	Y400 I404 N405 E406	Y400-E402 VanDerWaalsContact C-N 3.3Å; Y400-E402 PolarHBondContact O-N 3.27Å; E402-I404 VanDerWaalsContact C-N 3.34Å; E402-I404 PolarHBondContact O-N 2.99Å; E402-N405 PolarHBondContact O-N 3.23Å; E402-E406 PolarHBondContact O-N 2.94Å; E402-E406 VanDerWaalsContact O-N 3.14Å
403	S	52.3	Low	53.4	Low	26 Å²	26	79 Å²	79	18%	0.182	40%	0.397	C	S	.	.	H	α-helix	trans	-62.9	-37.4	173.3	-69.3	0	0	0	0	112.8	Y400 L407	Y400-S403 PolarHBondContact O-N 2.59Å; S403-L407 WeakPolarHBondContact O-CG 3.49Å; S403-L407 PolarHBondContact O-N 3.09Å; S403-L407 VanDerWaalsContact O-N 3.15Å
404	I	57.2	Low	53.4	Low	23 Å²	23	72.7 Å²	72.7	12%	0.118	37%	0.368	C	S	.	.	H	α-helix	trans	-71.1	-36.3	179.5	-70.3	169.3	0	0	0	111.2	I388 I396 Y400 Y401 E402 L407 E408	I388-I404 HydrophobicContact CD1-CD1 4.01Å; I388-I404 HydrophobicContact CD1-CG1 3.82Å; I388-I404 HydrophobicContact CD1-CG2 4.07Å; I396-I404 HydrophobicContact CD1-CD1 4.36Å; I396-I404 HydrophobicContact CG2-CD1 3.5Å; Y400-I404 WeakPolarHBondContact O-CB 3.33Å; Y400-I404 VanDerWaalsContact O-CG1 3.27Å; Y400-I404 WeakPolarHBondContact O-CG1 3.31Å; Y400-I404 PolarHBondContact O-N 3.31Å; Y401-I404 PolarHBondContact O-N 3Å; E402-I404 VanDerWaalsContact C-N 3.34Å; E402-I404 PolarHBondContact O-N 2.99Å; I404-L407 PolarHBondContact O-N 2.79Å; I404-E408 PolarHBondContact O-N 3.22Å
405	N	59	Low	53.7	Low	106 Å²	106	71.8 Å²	71.8	57%	0.567	36%	0.355	S	S	*	.	H	α-helix	trans	-67	-39.9	175	-74.8	-33.7	0	0	0	112.3	Y401 E402 E408 G409	Y401-N405 WeakPolarHBondContact O-CB 3.37Å; Y401-N405 VanDerWaalsContact O-CG 3.26Å; Y401-N405 PolarHBondContact O-N 3.18Å; Y401-N405 PolarHBondContact O-ND2 2.96Å; Y401-N405 VanDerWaalsContact O-ND2 3.13Å; E402-N405 PolarHBondContact O-N 3.23Å; N405-E408 PolarHBondContact O-N 3.42Å; N405-G409 PolarHBondContact O-N 3.32Å; N405-G409 VanDerWaalsContact O-N 3.08Å
406	E	56.8	Low	53.9	Low	85 Å²	85	72 Å²	72	40%	0.397	36%	0.364	S	S	.	.	H	α-helix	trans	-59.4	-44.3	170.2	-81.9	-163.3	122.8	0	0	112.2	Y353 K357 E402 E408 G409 H410	Y353-E406 PolarHBondContact OH-OE2 3.43Å; K357-E406 IonicContact NZ-OE1 2.75Å; K357-E406 PolarHBondContact NZ-OE1 2.88Å; K357-E406 IonicContact NZ-OE2 3.92Å; K357-E406 PolarHBondContact NZ-OE2 3.01Å; E402-E406 PolarHBondContact O-N 2.94Å; E402-E406 VanDerWaalsContact O-N 3.14Å; E406-E408 PolarHBondContact O-N 3.33Å; E406-G409 PolarHBondContact O-N 3.28Å; E406-G409 VanDerWaalsContact O-N 3.14Å; E406-H410 PolarHBondContact O-N 3.37Å
407	L	53.2	Low	53.8	Low	14 Å²	14	75.5 Å²	75.5	7%	0.073	38%	0.38	C	S	.	.	H	α-helix	trans	-62.8	-38.6	178	-82.1	162.2	0	0	0	112.6	Y353 D381 I384 S403 I404 G409 T411	Y353-L407 HydrophobicContact CD2-CD2 4.14Å; Y353-L407 HydrophobicContact CE2-CD1 4.38Å; Y353-L407 HydrophobicContact CE2-CD2 3.67Å; Y353-L407 HydrophobicContact CE2-CG 3.98Å; D381-L407 HydrophobicContact CB-CD2 4.26Å; D381-L407 WeakPolarHBondContact OD1-CD2 3.31Å; I384-L407 HydrophobicContact CG2-CD1 4.23Å; S403-L407 WeakPolarHBondContact O-CG 3.49Å; S403-L407 PolarHBondContact O-N 3.09Å; S403-L407 VanDerWaalsContact O-N 3.15Å; I404-L407 PolarHBondContact O-N 2.79Å; L407-G409 VanDerWaalsContact C-N 3.34Å; L407-T411 WeakPolarHBondContact O-CB 3.23Å; L407-T411 PolarHBondContact O-N 2.96Å; L407-T411 VanDerWaalsContact O-N 3.16Å; L407-T411 PolarHBondContact O-OG1 2.85Å
408	E	55.1	Low	53.6	Low	51 Å²	51	74.3 Å²	74.3	24%	0.238	37%	0.372	C	S	.	.	H	α-helix	trans	-62.4	-38.2	171.2	-90.7	-95.1	149	0	0	112.5	K389 I404 N405 E406 K412	K389-E408 WeakPolarHBondContact CE-OE1 3.25Å; K389-E408 IonicContact NZ-OE1 3.62Å; K389-E408 PolarHBondContact NZ-OE1 2.73Å; I404-E408 PolarHBondContact O-N 3.22Å; N405-E408 PolarHBondContact O-N 3.42Å; E406-E408 PolarHBondContact O-N 3.33Å; E408-K412 WeakPolarHBondContact O-CD 3.44Å; E408-K412 WeakPolarHBondContact O-CG 3.44Å; E408-K412 IonicContact OE2-NZ 2.77Å; E408-K412 PolarHBondContact OE2-NZ 2.59Å
409	G	55.1	Low	53.3	Low	36 Å²	36	70.7 Å²	70.7	37%	0.371	36%	0.356	S	S	.	.	H	α-helix	trans	-67.3	-57.5	175.8	0	0	0	0	0	112.8	N405 E406 L407 T411 K412	N405-G409 PolarHBondContact O-N 3.32Å; N405-G409 VanDerWaalsContact O-N 3.08Å; E406-G409 PolarHBondContact O-N 3.28Å; E406-G409 VanDerWaalsContact O-N 3.14Å; L407-G409 VanDerWaalsContact C-N 3.34Å; G409-T411 VanDerWaalsContact C-N 3.3Å; G409-T411 PolarHBondContact O-N 2.7Å; G409-K412 PolarHBondContact O-N 2.77Å; G409-K412 VanDerWaalsContact O-N 3.15Å
410	H	53.5	Low	53.3	Low	103 Å²	103	69 Å²	69	48%	0.477	35%	0.346	S	S	.	.	H	α-helix	trans	-56.3	-42.7	-178.7	-107.9	108.4	0	0	0	112.5	E406 K412 V413 V414	E406-H410 PolarHBondContact O-N 3.37Å; H410-K412 VanDerWaalsContact C-N 3.27Å; H410-K412 PolarHBondContact O-N 2.76Å; H410-V413 PolarHBondContact O-N 2.95Å; H410-V414 PolarHBondContact O-N 3.3Å
411	T	51.7	Low	53	Low	7 Å²	7	69.2 Å²	69.2	4%	0.043	35%	0.352	C	S	.	.	H	α-helix	trans	-59.9	-36.1	-178.8	-57.4	0	0	0	0	112.2	F378 D381 Q382 Q385 L407 G409 H415	F378-T411 HydrophobicContact CD2-CG2 4.19Å; F378-T411 HydrophobicContact CE2-CG2 3.82Å; D381-T411 WeakPolarHBondContact CB-OG1 3.49Å; Q382-T411 HydrophobicContact CG-CG2 4.18Å; Q385-T411 VanDerWaalsContact NE2-CB 3.26Å; Q385-T411 PolarHBondContact NE2-OG1 3.5Å; Q385-T411 VanDerWaalsContact NE2-OG1 3.14Å; L407-T411 WeakPolarHBondContact O-CB 3.23Å; L407-T411 PolarHBondContact O-N 2.96Å; L407-T411 VanDerWaalsContact O-N 3.16Å; L407-T411 PolarHBondContact O-OG1 2.85Å; G409-T411 VanDerWaalsContact C-N 3.3Å; G409-T411 PolarHBondContact O-N 2.7Å; T411-H415 WeakPolarHBondContact O-CB 3.47Å; T411-H415 PolarHBondContact O-N 2.94Å
412	K	54.2	Low	52.4	Low	125 Å²	125	69.3 Å²	69.3	54%	0.543	36%	0.355	S	S	.	.	H	α-helix	trans	-68.3	-39.7	-179.9	-71.8	163.3	-173.5	147.1	0	111.9	E408 G409 H410 T416	E408-K412 WeakPolarHBondContact O-CD 3.44Å; E408-K412 WeakPolarHBondContact O-CG 3.44Å; E408-K412 IonicContact OE2-NZ 2.77Å; E408-K412 PolarHBondContact OE2-NZ 2.59Å; G409-K412 PolarHBondContact O-N 2.77Å; G409-K412 VanDerWaalsContact O-N 3.15Å; H410-K412 VanDerWaalsContact C-N 3.27Å; H410-K412 PolarHBondContact O-N 2.76Å; K412-T416 PolarHBondContact O-N 3.38Å; K412-T416 PolarHBondContact O-OG1 3.25Å
413	V	54.6	Low	52.1	Low	88 Å²	88	66.9 Å²	66.9	53%	0.533	34%	0.343	S	S	.	.	H	α-helix	trans	-64.4	-57.9	175.8	-177.8	0	0	0	0	109.9	H410 H415 T416 E417	H410-V413 PolarHBondContact O-N 2.95Å; V413-H415 VanDerWaalsContact C-N 3.29Å; V413-H415 PolarHBondContact O-N 3.42Å; V413-T416 WeakPolarHBondContact O-CB 3.29Å; V413-T416 PolarHBondContact O-N 3.41Å; V413-E417 PolarHBondContact O-N 3.33Å
414	V	53.1	Low	51.8	Low	19 Å²	19	69.5 Å²	69.5	12%	0.115	35%	0.354	C	S	.	.	H	α-helix	trans	-68.3	-27	-175.2	-170.2	0	0	0	0	112.1	Q374 F378 H410 T416 E417 C418	Q374-V414 HydrophobicContact CB-CG1 4.3Å; F378-V414 HydrophobicContact CB-CB 4.44Å; F378-V414 HydrophobicContact CB-CG1 3.76Å; F378-V414 HydrophobicContact CD2-CB 4.22Å; F378-V414 HydrophobicContact CD2-CG1 4.3Å; F378-V414 HydrophobicContact CG-CG1 4.11Å; H410-V414 PolarHBondContact O-N 3.3Å; V414-T416 VanDerWaalsContact C-N 3.31Å; V414-T416 PolarHBondContact O-N 3.1Å; V414-E417 PolarHBondContact O-N 3.07Å; V414-C418 WeakPolarHBondContact O-CB 3.47Å; V414-C418 PolarHBondContact O-N 3.33Å
415	H	50.3	Low	51.3	Low	64 Å²	64	74.4 Å²	74.4	30%	0.296	38%	0.377	S	S	.	.	H	α-helix	trans	-60.7	-41.9	170.7	-163.7	-28.8	0	0	0	111.8	F378 T411 V413 Q419	F378-H415 VanDerWaalsContact CE2-CA 3.5Å; F378-H415 HydrophobicContact CE2-CB 3.51Å; F378-H415 AromaticContact CE2-CG 3.9Å; F378-H415 HydrophobicContact CZ-CB 3.59Å; F378-H415 AromaticContact CZ-CD2 3.67Å; F378-H415 AromaticContact CZ-CG 3.48Å; F378-H415 VanDerWaalsContact CZ-CG 3.48Å; F378-H415 AromaticContact CZ-ND1 3.91Å; T411-H415 WeakPolarHBondContact O-CB 3.47Å; T411-H415 PolarHBondContact O-N 2.94Å; V413-H415 VanDerWaalsContact C-N 3.29Å; V413-H415 PolarHBondContact O-N 3.42Å; H415-Q419 WeakPolarHBondContact O-CB 3.26Å; H415-Q419 PolarHBondContact O-N 2.82Å
416	T	52.2	Low	50.7	Low	79 Å²	79	76.2 Å²	76.2	49%	0.485	38%	0.384	S	S	.	.	H	α-helix	trans	-67.3	-39	-176.5	-55.4	0	0	0	0	110.7	K412 V413 V414 K420	K412-T416 PolarHBondContact O-N 3.38Å; K412-T416 PolarHBondContact O-OG1 3.25Å; V413-T416 WeakPolarHBondContact O-CB 3.29Å; V413-T416 PolarHBondContact O-N 3.41Å; V414-T416 VanDerWaalsContact C-N 3.31Å; V414-T416 PolarHBondContact O-N 3.1Å; T416-K420 WeakPolarHBondContact O-CG 3.41Å; T416-K420 PolarHBondContact O-N 2.77Å
417	E	50.3	Low	49.9	Very low	101 Å²	101	79.2 Å²	79.2	47%	0.472	39%	0.392	S	S	.	.	H	α-helix	trans	-78.2	-38.9	176.4	-59.1	-168.4	126.6	0	0	112.8	V413 V414 Q419 K420 S421	V413-E417 PolarHBondContact O-N 3.33Å; V414-E417 PolarHBondContact O-N 3.07Å; E417-Q419 VanDerWaalsContact C-N 3.29Å; E417-Q419 PolarHBondContact O-N 2.7Å; E417-K420 PolarHBondContact O-N 3.48Å; E417-S421 WeakPolarHBondContact O-CB 3.35Å; E417-S421 PolarHBondContact O-N 3.12Å
418	C	47.9	Very low	49.6	Very low	18 Å²	18	82.1 Å²	82.1	12%	0.122	41%	0.406	C	S	.	.	H	α-helix	trans	-66	-30.8	175.1	-167.8	0	0	0	0	111.8	F378 V414 K422	F378-C418 HydrophobicContact CD1-CB 3.9Å; F378-C418 HydrophobicContact CE1-CB 4.01Å; V414-C418 WeakPolarHBondContact O-CB 3.47Å; V414-C418 PolarHBondContact O-N 3.33Å; C418-K422 VanDerWaalsContact O-CB 3.28Å; C418-K422 WeakPolarHBondContact O-CB 3.4Å; C418-K422 WeakPolarHBondContact O-CG 3.38Å; C418-K422 PolarHBondContact O-N 3.37Å
419	Q	48.6	Very low	49.1	Very low	106 Å²	106	87.4 Å²	87.4	50%	0.495	43%	0.428	S	S	.	.	H	α-helix	trans	-70.7	-43.1	170.4	-95.6	-169.7	-8.5	0	0	112.7	H415 E417 S421 K422 Q423	H415-Q419 WeakPolarHBondContact O-CB 3.26Å; H415-Q419 PolarHBondContact O-N 2.82Å; E417-Q419 VanDerWaalsContact C-N 3.29Å; E417-Q419 PolarHBondContact O-N 2.7Å; Q419-S421 VanDerWaalsContact C-N 3.29Å; Q419-S421 PolarHBondContact O-N 3.28Å; Q419-K422 PolarHBondContact O-N 3.35Å; Q419-Q423 WeakPolarHBondContact O-CB 3.46Å; Q419-Q423 WeakPolarHBondContact O-CG 3.44Å; Q419-Q423 PolarHBondContact O-N 2.84Å
420	K	48.8	Very low	48.4	Very low	116 Å²	116	88.5 Å²	88.5	50%	0.504	43%	0.433	S	S	.	.	H	α-helix	trans	-55.9	-46.2	171.2	-68.6	168.4	-175.1	175.2	0	110.8	T416 E417 Q423 L424	T416-K420 WeakPolarHBondContact O-CG 3.41Å; T416-K420 PolarHBondContact O-N 2.77Å; E417-K420 PolarHBondContact O-N 3.48Å; K420-Q423 PolarHBondContact O-N 2.86Å; K420-L424 PolarHBondContact O-N 3.09Å
421	S	46.6	Very low	48.1	Very low	39 Å²	39	88.3 Å²	88.3	27%	0.273	44%	0.439	S	S	.	.	H	α-helix	trans	-64.8	-39.5	177.4	-172.5	0	0	0	0	113	E417 Q419 L424 Q425	E417-S421 WeakPolarHBondContact O-CB 3.35Å; E417-S421 PolarHBondContact O-N 3.12Å; Q419-S421 VanDerWaalsContact C-N 3.29Å; Q419-S421 PolarHBondContact O-N 3.28Å; S421-L424 CarbonylContact O-C 3.57Å; S421-L424 WeakPolarHBondContact O-CB 3.46Å; S421-L424 PolarHBondContact O-N 3.15Å; S421-Q425 PolarHBondContact O-N 2.92Å
422	K	47.7	Very low	47.6	Very low	86 Å²	86	96.3 Å²	96.3	37%	0.374	47%	0.473	S	S	.	.	H	α-helix	trans	-74.5	-30.7	175.7	-81.4	-178.6	176.6	176.4	0	113.8	C418 Q419 L424 Q425 M426	C418-K422 VanDerWaalsContact O-CB 3.28Å; C418-K422 WeakPolarHBondContact O-CB 3.4Å; C418-K422 WeakPolarHBondContact O-CG 3.38Å; C418-K422 PolarHBondContact O-N 3.37Å; Q419-K422 PolarHBondContact O-N 3.35Å; K422-L424 VanDerWaalsContact C-N 3.34Å; K422-Q425 PolarHBondContact O-N 3.22Å; K422-M426 VanDerWaalsContact O-CB 3.27Å; K422-M426 WeakPolarHBondContact O-CB 3.45Å; K422-M426 WeakPolarHBondContact O-CG 3.3Å; K422-M426 PolarHBondContact O-N 3.08Å
423	Q	46.3	Very low	47.1	Very low	113 Å²	113	98.4 Å²	98.4	53%	0.528	49%	0.485	S	S	.	.	H	α-helix	trans	-62.9	-44.2	167.4	-76.3	174.1	-21.1	0	0	109.5	Q419 K420 Q425 M426 Y427	Q419-Q423 WeakPolarHBondContact O-CB 3.46Å; Q419-Q423 WeakPolarHBondContact O-CG 3.44Å; Q419-Q423 PolarHBondContact O-N 2.84Å; K420-Q423 PolarHBondContact O-N 2.86Å; Q423-Q425 PolarHBondContact O-N 2.93Å; Q423-M426 PolarHBondContact O-N 2.97Å; Q423-Y427 WeakPolarHBondContact O-CB 3.48Å; Q423-Y427 PolarHBondContact O-N 3.37Å
424	L	46.6	Very low	46.1	Very low	80 Å²	80	102.4 Å²	102.4	42%	0.419	49%	0.491	S	S	.	.	H	α-helix	trans	-58.8	-45.8	170.7	-116.6	70.6	0	0	0	113	K420 S421 K422 Y427 H428 W447	K420-L424 PolarHBondContact O-N 3.09Å; S421-L424 CarbonylContact O-C 3.57Å; S421-L424 WeakPolarHBondContact O-CB 3.46Å; S421-L424 PolarHBondContact O-N 3.15Å; K422-L424 VanDerWaalsContact C-N 3.34Å; L424-Y427 WeakPolarHBondContact O-CB 3.5Å; L424-Y427 PolarHBondContact O-N 2.75Å; L424-H428 WeakPolarHBondContact O-CB 3.46Å; L424-H428 PolarHBondContact O-CD2 3.22Å; L424-H428 PolarHBondContact O-N 3.14Å; L424-W447 HydrophobicContact CD1-CZ3 4.33Å
425	Q	46.4	Very low	45.3	Very low	126 Å²	126	107.4 Å²	107.4	59%	0.589	52%	0.518	S	S	*	.	H	α-helix	trans	-72.2	-33	179.9	-74.4	-170.4	-7.1	0	0	113.7	S421 K422 Q423 H428 K429	S421-Q425 PolarHBondContact O-N 2.92Å; K422-Q425 PolarHBondContact O-N 3.22Å; Q423-Q425 PolarHBondContact O-N 2.93Å; Q425-H428 PolarHBondContact O-N 2.93Å; Q425-K429 WeakPolarHBondContact O-CB 3.13Å; Q425-K429 PolarHBondContact O-N 3.46Å
426	M	44.9	Very low	44.4	Very low	145 Å²	145	112.1 Å²	112.1	71%	0.714	54%	0.537	S	S	*	.	H	α-helix	trans	-70.7	-38	171.7	-78.4	-177.5	152.1	0	0	111.1	K422 Q423 K429 A430	K422-M426 VanDerWaalsContact O-CB 3.27Å; K422-M426 WeakPolarHBondContact O-CB 3.45Å; K422-M426 WeakPolarHBondContact O-CG 3.3Å; K422-M426 PolarHBondContact O-N 3.08Å; Q423-M426 PolarHBondContact O-N 2.97Å; M426-K429 PolarHBondContact O-N 3.15Å; M426-A430 VanDerWaalsContact O-CB 3.31Å; M426-A430 WeakPolarHBondContact O-CB 3.43Å; M426-A430 PolarHBondContact O-N 3.15Å
427	Y	41.4	Very low	43.4	Very low	147 Å²	147	110.6 Å²	110.6	58%	0.576	53%	0.53	S	S	*	.	H	α-helix	trans	-58.6	-50.7	169	-172	-108.1	0	0	0	110.3	Q423 L424 K429 A430 V431	Q423-Y427 WeakPolarHBondContact O-CB 3.48Å; Q423-Y427 PolarHBondContact O-N 3.37Å; L424-Y427 WeakPolarHBondContact O-CB 3.5Å; L424-Y427 PolarHBondContact O-N 2.75Å; Y427-K429 VanDerWaalsContact C-N 3.28Å; Y427-K429 PolarHBondContact O-N 2.97Å; Y427-A430 PolarHBondContact O-N 2.81Å; Y427-V431 VanDerWaalsContact O-CB 3.24Å; Y427-V431 WeakPolarHBondContact O-CB 3.45Å; Y427-V431 WeakPolarHBondContact O-CG2 3.38Å; Y427-V431 PolarHBondContact O-N 2.76Å
428	H	46.6	Very low	42.6	Very low	76 Å²	76	108.2 Å²	108.2	35%	0.352	52%	0.52	S	S	.	.	H	α-helix	trans	-64.4	-24.6	176.6	-77.4	-139.3	0	0	0	114.4	L424 Q425 K432 Y455	L424-H428 WeakPolarHBondContact O-CB 3.46Å; L424-H428 PolarHBondContact O-CD2 3.22Å; L424-H428 PolarHBondContact O-N 3.14Å; Q425-H428 PolarHBondContact O-N 2.93Å; H428-K432 WeakPolarHBondContact O-CB 3.47Å; H428-K432 WeakPolarHBondContact O-CG 3.47Å; H428-K432 PolarHBondContact O-N 3.15Å; H428-Y455 AromaticContact CE1-CE2 3.64Å; H428-Y455 AromaticContact CE1-CZ 3.71Å; H428-Y455 PolarHBondContact CE1-OH 3.12Å; H428-Y455 VanDerWaalsContact CE1-OH 3.3Å
429	K	44.3	Very low	41.9	Very low	162 Å²	162	112.4 Å²	112.4	70%	0.704	55%	0.545	S	S	*	.	H	α-helix	trans	-84.5	-40.8	173.1	-91.5	-167.3	169.3	-171.8	0	112.9	Q425 M426 Y427 K432 H433	Q425-K429 WeakPolarHBondContact O-CB 3.13Å; Q425-K429 PolarHBondContact O-N 3.46Å; M426-K429 PolarHBondContact O-N 3.15Å; Y427-K429 VanDerWaalsContact C-N 3.28Å; Y427-K429 PolarHBondContact O-N 2.97Å; K429-K432 PolarHBondContact O-N 3.36Å; K429-K432 VanDerWaalsContact O-N 3.11Å; K429-H433 PolarHBondContact O-N 2.65Å; K429-H433 VanDerWaalsContact O-N 3.08Å
430	A	41.5	Very low	41.1	Very low	59 Å²	59	111.1 Å²	111.1	49%	0.488	55%	0.546	S	S	.	.	H	α-helix	trans	-60.5	-47.9	173.4	0	0	0	0	0	110.5	M426 Y427 K432 H433 Y434	M426-A430 VanDerWaalsContact O-CB 3.31Å; M426-A430 WeakPolarHBondContact O-CB 3.43Å; M426-A430 PolarHBondContact O-N 3.15Å; Y427-A430 PolarHBondContact O-N 2.81Å; A430-K432 PolarHBondContact O-N 2.99Å; A430-K432 VanDerWaalsContact O-N 3.11Å; A430-H433 PolarHBondContact O-N 3.09Å; A430-H433 VanDerWaalsContact O-N 3.15Å; A430-Y434 PolarHBondContact O-N 3.36Å
431	V	47	Very low	40.3	Very low	98 Å²	98	108.4 Å²	108.4	59%	0.594	54%	0.542	S	S	*	.	H	α-helix	trans	-65.7	-10.1	175.3	174.8	0	0	0	0	113.2	Y427	Y427-V431 VanDerWaalsContact O-CB 3.24Å; Y427-V431 WeakPolarHBondContact O-CB 3.45Å; Y427-V431 WeakPolarHBondContact O-CG2 3.38Å; Y427-V431 PolarHBondContact O-N 2.76Å
432	K	41.4	Very low	39.4	Very low	176 Å²	176	114.5 Å²	114.5	77%	0.765	57%	0.568	S	S	*	*	H	α-helix	trans	-105.9	-9	173.2	-85.2	-167.9	170	-169.2	0	115.4	H428 K429 A430	H428-K432 WeakPolarHBondContact O-CB 3.47Å; H428-K432 WeakPolarHBondContact O-CG 3.47Å; H428-K432 PolarHBondContact O-N 3.15Å; K429-K432 PolarHBondContact O-N 3.36Å; K429-K432 VanDerWaalsContact O-N 3.11Å; A430-K432 PolarHBondContact O-N 2.99Å; A430-K432 VanDerWaalsContact O-N 3.11Å
433	H	42.3	Very low	38.7	Very low	168 Å²	168	114.5 Å²	114.5	78%	0.778	57%	0.572	S	S	*	*	H	α-helix	trans	-130	10	-177.9	-81.6	3.1	0	0	0	114.2	K429 A430	K429-H433 PolarHBondContact O-N 2.65Å; K429-H433 VanDerWaalsContact O-N 3.08Å; A430-H433 PolarHBondContact O-N 3.09Å; A430-H433 VanDerWaalsContact O-N 3.15Å
434	Y	34.8	Very low	37.8	Very low	172 Å²	172	115.7 Å²	115.7	68%	0.675	59%	0.586	S	S	*	*			trans	-130	105.5	159.9	-97.4	-94.1	0	0	0	110	A430 V439	A430-Y434 PolarHBondContact O-N 3.36Å; Y434-V439 HydrophobicContact CE1-CG2 4.19Å
435	D	35.3	Very low	36.9	Very low	125 Å²	125	116.5 Å²	116.5	67%	0.668	60%	0.599	S	S	*	*			trans	-130.7	111.8	155.7	-170.7	34.3	0	0	0	108.1
436	K	30.9	Very low	36.1	Very low	163 Å²	163	120.9 Å²	120.9	71%	0.709	61%	0.61	S	S	*	*	S	Bend	trans	54.3	110.2	172.5	-55.9	158.6	-171	84.2	0	115
437	S	32.4	Very low	35.4	Very low	46 Å²	46	122.8 Å²	122.8	32%	0.322	61%	0.61	S	S	.	*	S	Bend	cis	-155.4	-177.7	30.4	21.6	0	0	0	0	112.6	D258	D258-S437 WeakPolarHBondContact CB-OG 3.39Å
438	N	34	Very low	35.1	Very low	51 Å²	51	122.6 Å²	122.6	27%	0.273	62%	0.618	S	S	.	*			trans	58.2	98.5	174.3	-81.8	24.7	0	0	0	120.1	D258 L259 M260	D258-N438 HydrophobicContact CB-CB 3.83Å; L259-N438 VanDerWaalsContact C-ND2 3.29Å; L259-N438 WeakPolarHBondContact CA-OD1 3.44Å; L259-N438 PolarHBondContact N-ND2 3.08Å; L259-N438 VanDerWaalsContact N-ND2 3.14Å; L259-N438 PolarHBondContact N-OD1 3.15Å; L259-N438 PolarHBondContact O-ND2 2.75Å; L259-N438 PolarHBondContact O-OD1 2.77Å; M260-N438 WeakPolarHBondContact CA-OD1 3.43Å; M260-N438 WeakPolarHBondContact CG-OD1 3.27Å; M260-N438 PolarHBondContact N-OD1 2.8Å; M260-N438 PolarHBondContact SD-N 3.14Å; M260-N438 PolarHBondContact SD-OD1 3.11Å
439	V	31.7	Very low	34.3	Very low	106 Å²	106	123.1 Å²	123.1	64%	0.642	63%	0.63	S	S	*	*			trans	-145.7	126.2	151	-174.9	0	0	0	0	110.5	Y434	Y434-V439 HydrophobicContact CE1-CG2 4.19Å
440	P	32.3	Very low	33.9	Very low	80 Å²	80	123.6 Å²	123.6	52%	0.519	64%	0.635	S	S	.	*			trans	-140.2	146.2	136	31.5	-15.5	0	0	0	113.5
441	S	31.5	Very low	33.7	Very low	59 Å²	59	128.2 Å²	128.2	41%	0.413	65%	0.646	S	S	.	*			cis	-164.1	135.8	-10.1	64.9	0	0	0	0	113.1
442	M	27.7	Very low	33.1	Very low	167 Å²	167	127.5 Å²	127.5	82%	0.823	64%	0.642	S	S	*	*			trans	-159.7	84.9	144.4	-122.1	-176.5	171	0	0	109.4
443	N	33.3	Very low	32.7	Very low	85 Å²	85	122.7 Å²	122.7	46%	0.455	63%	0.63	S	S	.	*				72.9	74.8	94	-163.9	69.6	0	0	0	114.8	R264	R264-N443 PolarHBondContact NH1-OD1 2.77Å; R264-N443 PolarHBondContact NH2-OD1 3.49Å
444	V	27.7	Very low	32.4	Very low	138 Å²	138	121.8 Å²	121.8	84%	0.836	63%	0.626	S	S	*	*			trans	-94.4	87.5	166.9	-177.9	0	0	0	0	109	R446	V444-R446 PolarHBondContact O-N 2.99Å
445	S	27.2	Very low	32.2	Very low	98 Å²	98	121.9 Å²	121.9	69%	0.685	63%	0.627	S	S	*	*			trans	-99.2	52.7	179.1	61.4	0	0	0	0	112.1
446	R	29.6	Very low	32.1	Very low	217 Å²	217	123.8 Å²	123.8	82%	0.819	63%	0.629	S	S	*	*			trans	-161.6	95.5	169.1	-140.9	176.3	-172.9	169.6	2.5	111.6	V444	V444-R446 PolarHBondContact O-N 2.99Å
447	W	30.1	Very low	32.3	Very low	186 Å²	186	122.4 Å²	122.4	71%	0.705	63%	0.63	S	S	*	*			trans	172.4	142.9	133.6	-90.1	22.2	0	0	0	107.9	L424	L424-W447 HydrophobicContact CD1-CZ3 4.33Å
448	D	34.7	Very low	32.5	Very low	143 Å²	143	126.7 Å²	126.7	77%	0.765	65%	0.649	S	S	*	*			trans	-118.1	177.2	-168	-146.6	-25	0	0	0	112.6	E450	D448-E450 PolarHBondContact O-N 2.69Å
449	S	30.7	Very low	32.5	Very low	86 Å²	86	133.3 Å²	133.3	60%	0.601	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	11.7	-131.6	-55.4	0	0	0	0	116.3
450	E	36.9	Very low	32.4	Very low	172 Å²	172	133 Å²	133	80%	0.804	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-29.9	-174.3	-64.5	-168.5	125.7	0	0	114	D448 V452 S453	D448-E450 PolarHBondContact O-N 2.69Å; E450-V452 PolarHBondContact O-N 3.07Å; E450-S453 PolarHBondContact O-N 3.25Å
451	H	36.8	Very low	32.4	Very low	156 Å²	156	133.8 Å²	133.8	72%	0.722	68%	0.68	S	S	*	*	H	α-helix	trans	-73.3	-11.2	179.8	-83.3	58.5	0	0	0	114.2
452	V	33.1	Very low	32.2	Very low	83 Å²	83	142.5 Å²	142.5	50%	0.503	71%	0.705	S	S	.	*	H	α-helix	trans	-78.4	-22.2	179.9	-179.2	0	0	0	0	112.2	E450	E450-V452 PolarHBondContact O-N 3.07Å
453	S	32.9	Very low	32	Very low	75 Å²	75	140.8 Å²	140.8	52%	0.524	70%	0.699	S	S	.	*	H	α-helix	trans	-71.4	-44	178.9	-172.5	0	0	0	0	112.5	E450 Y455 K456	E450-S453 PolarHBondContact O-N 3.25Å; S453-Y455 PolarHBondContact O-N 2.73Å; S453-Y455 VanDerWaalsContact O-N 3.11Å; S453-K456 PolarHBondContact O-N 2.77Å
454	H	36.4	Very low	31.6	Very low	149 Å²	149	146.2 Å²	146.2	69%	0.69	72%	0.719	S	S	*	*	H	α-helix	trans	-65.3	-20.2	-177.4	-151.2	-38.8	0	0	0	113	K456	H454-K456 VanDerWaalsContact C-N 3.3Å; H454-K456 PolarHBondContact O-N 2.84Å
455	Y	32.2	Very low	31.7	Very low	174 Å²	174	144 Å²	144	68%	0.682	71%	0.714	S	S	*	*	H	α-helix	trans	-81.3	-0.5	176.6	-136.1	-89.8	0	0	0	114.5	H428 S453	H428-Y455 AromaticContact CE1-CE2 3.64Å; H428-Y455 AromaticContact CE1-CZ 3.71Å; H428-Y455 PolarHBondContact CE1-OH 3.12Å; H428-Y455 VanDerWaalsContact CE1-OH 3.3Å; S453-Y455 PolarHBondContact O-N 2.73Å; S453-Y455 VanDerWaalsContact O-N 3.11Å
456	K	32.7	Very low	31.7	Very low	166 Å²	166	146.4 Å²	146.4	72%	0.722	72%	0.719	S	S	*	*	H	α-helix	trans	-112.2	-24.3	177.8	-75.2	-175.3	174.1	179.3	0	115.2	S453 H454	S453-K456 PolarHBondContact O-N 2.77Å; H454-K456 VanDerWaalsContact C-N 3.3Å; H454-K456 PolarHBondContact O-N 2.84Å
457	N	33.7	Very low	31.5	Very low	134 Å²	134	140.3 Å²	140.3	72%	0.717	72%	0.716	S	S	*	*	H	α-helix	trans	-96.4	-5.7	-172.1	-73.6	-13.7	0	0	0	116	R459	N457-R459 VanDerWaalsContact C-N 3.35Å; N457-R459 PolarHBondContact O-N 3.04Å
458	N	37.8	Very low	31.4	Very low	135 Å²	135	136.9 Å²	136.9	72%	0.722	72%	0.72	S	S	*	*	S	Bend	trans	-93.6	72	154.5	-90.1	-30.6	0	0	0	108.3
459	R	32.9	Very low	31	Very low	191 Å²	191	133.1 Å²	133.1	72%	0.721	72%	0.715	S	S	*	*				71.1	89.5	90.8	-168.6	174.5	-172.7	139.3	-0.5	110.3	N457 S461	N457-R459 VanDerWaalsContact C-N 3.35Å; N457-R459 PolarHBondContact O-N 3.04Å; R459-S461 PolarHBondContact O-N 3.19Å
460	S	29.7	Very low	30.8	Very low	100 Å²	100	138.2 Å²	138.2	70%	0.699	73%	0.727	S	S	*	*				59	17.3	79.8	-161.7	0	0	0	0	115.1
461	S	32.7	Very low	30.4	Very low	96 Å²	96	134.5 Å²	134.5	67%	0.671	72%	0.715	S	S	*	*			trans	-109.4	-0.6	159.7	-53.4	0	0	0	0	112.8	R459 L463	R459-S461 PolarHBondContact O-N 3.19Å; S461-L463 PolarHBondContact O-N 3.23Å
462	Y	26.9	Very low	29.9	Very low	241 Å²	241	133.9 Å²	133.9	95%	0.945	71%	0.713	S	S	*	*	S	Bend	trans	-83.3	23.8	168	-116.3	-91.4	0	0	0	112.4
463	L	23.8	Very low	29.4	Very low	131 Å²	131	137.5 Å²	137.5	69%	0.686	72%	0.724	S	S	*	*	S	Bend	trans	-143.3	113.4	177.5	-87.3	173.1	0	0	0	110.3	S461	S461-L463 PolarHBondContact O-N 3.23Å
464	K	25.4	Very low	29	Very low	200 Å²	200	140.4 Å²	140.4	87%	0.87	73%	0.729	S	S	*	*			trans	70.9	152.6	167.5	-57.7	-178.1	176.6	-178.7	0	117
465	A	29.2	Very low	28.4	Very low	90 Å²	90	140 Å²	140	74%	0.744	73%	0.728	S	S	*	*			trans	62	110.4	-171.5	0	0	0	0	0	114.1
466	N	27.4	Very low	27.9	Very low	149 Å²	149	137.6 Å²	137.6	80%	0.797	73%	0.727	S	S	*	*			cis	-138.6	153.3	4.3	-83.5	4.3	0	0	0	109.2
467	A	25.1	Very low	27.4	Very low	90 Å²	90	139.5 Å²	139.5	74%	0.744	73%	0.731	S	S	*	*			cis	51.4	101.7	-3.1	0	0	0	0	0	115.8
468	S	28	Very low	27	Very low	113 Å²	113	138.1 Å²	138.1	79%	0.79	73%	0.732	S	S	*	*			cis	-136.8	161.3	21.6	50.2	0	0	0	0	112.6
469	G	27.4	Very low	26.4	Very low	64 Å²	64	143.1 Å²	143.1	66%	0.66	74%	0.74	S	S	*	*			cis	163.1	-169.3	-5.1	0	0	0	0	0	112.9
470	F	26.8	Very low	25.9	Very low	194 Å²	194	141.1 Å²	141.1	85%	0.851	74%	0.739	S	S	*	*			trans	64	137.8	165.1	-73.1	-100.4	0	0	0	119.4
471	V	27	Very low	25.7	Very low	93 Å²	93	141.7 Å²	141.7	56%	0.564	73%	0.734	S	S	*	*			cis	-165.7	152.2	-23.5	90.5	0	0	0	0	110.3
472	E	25.9	Very low	25.4	Very low	144 Å²	144	143.8 Å²	143.8	67%	0.673	74%	0.738	S	S	*	*			trans	57.7	133.8	157.5	-77.5	143.7	-151.8	0	0	120.1
473	Q	23.7	Very low	25.4	Very low	158 Å²	158	141.3 Å²	141.3	74%	0.738	73%	0.732	S	S	*	*				68	147.4	66	-63.4	179.2	16.4	0	0	113.3
474	H	24.5	Very low	25.5	Very low	137 Å²	137	140.2 Å²	140.2	63%	0.634	73%	0.731	S	S	*	*			cis	-150.8	157.9	-3.7	-133.3	-92.5	0	0	0	108.6
475	E	23.2	Very low	25.6	Very low	140 Å²	140	137 Å²	137	65%	0.654	72%	0.724	S	S	*	*			trans	58.6	127	141.9	-94.4	-178.2	-111.4	0	0	127.3
476	N	22.9	Very low	25.4	Very low	123 Å²	123	138.2 Å²	138.2	66%	0.658	72%	0.717	S	S	*	*				80.3	146.2	120	-84.4	-20.3	0	0	0	126.9
477	Y	22.1	Very low	25.4	Very low	206 Å²	206	137 Å²	137	81%	0.808	72%	0.715	S	S	*	*			trans	61	102.7	151.5	-81.9	-69.1	0	0	0	123.6
478	S	23.9	Very low	25.4	Very low	105 Å²	105	140.3 Å²	140.3	73%	0.734	71%	0.713	S	S	*	*			trans	25.5	120.7	130.5	-50.7	0	0	0	0	122.3
479	R	25.1	Very low	25.2	Very low	240 Å²	240	142.1 Å²	142.1	91%	0.906	71%	0.712	S	S	*	*				-168.8	-179.7	119.7	-113.2	173.8	176.8	151.5	1.6	115
480	E	24	Very low	25.2	Very low	149 Å²	149	146.7 Å²	146.7	70%	0.696	72%	0.72	S	S	*	*			trans	-98	175.9	-159	-47.5	152.9	85	0	0	115.9
481	N	25.5	Very low	25.1	Very low	112 Å²	112	143.3 Å²	143.3	60%	0.599	72%	0.715	S	S	*	*			trans	83.5	96.8	139.6	-70.7	-37.8	0	0	0	122.7
482	N	25	Very low	25.1	Very low	140 Å²	140	144.7 Å²	144.7	75%	0.749	73%	0.726	S	S	*	*				77	155.6	115.4	-70.7	-31.9	0	0	0	123.7
483	K	27.3	Very low	25.1	Very low	189 Å²	189	144 Å²	144	82%	0.822	73%	0.732	S	S	*	*			trans	94.4	141.4	159.1	-62.1	-166.8	179.6	179.3	0	119.1
484	T	25.4	Very low	25.7	Very low	108 Å²	108	141.7 Å²	141.7	66%	0.663	73%	0.731	S	S	*	*			cis	-173.9	-178.5	-35.9	31	0	0	0	0	109.7
485	N	28.5	Very low	25.7	Very low	134 Å²	134	141.1 Å²	141.1	72%	0.717	74%	0.737	S	S	*	*			trans	103.7	108.7	162	-48.3	-2.1	0	0	0	112.4
486	D	25.4	Very low	25.8	Very low	114 Å²	114	141 Å²	141	61%	0.61	74%	0.741	S	S	*	*				69.9	136.2	68.7	-73.2	-74.5	0	0	0	112.1	K488	D486-K488 IonicContact OD1-NZ 2.71Å; D486-K488 PolarHBondContact OD1-NZ 3.2Å
487	V	27.1	Very low	25.8	Very low	124 Å²	124	140.9 Å²	140.9	75%	0.752	74%	0.744	S	S	*	*			cis	-151.6	134.5	47.3	170.7	0	0	0	0	107.6
488	K	24.9	Very low	26	Very low	160 Å²	160	136.4 Å²	136.4	70%	0.696	74%	0.739	S	S	*	*				62.2	146	78.4	-88.9	154.5	-167.5	145.6	0	113.4	D486	D486-K488 IonicContact OD1-NZ 2.71Å; D486-K488 PolarHBondContact OD1-NZ 3.2Å
489	I	24.5	Very low	26	Very low	150 Å²	150	137.9 Å²	137.9	77%	0.769	74%	0.738	S	S	*	*			cis	-150.5	159.6	0.3	-25.7	158	0	0	0	108.6
490	I	26.9	Very low	26.2	Very low	160 Å²	160	134.1 Å²	134.1	82%	0.821	74%	0.736	S	S	*	*				175.7	144.1	124.2	-88.2	163.5	0	0	0	111.1
491	T	24.6	Very low	26.2	Very low	123 Å²	123	132.3 Å²	132.3	76%	0.755	74%	0.74	S	S	*	*			trans	-140.8	160.3	176.5	56.3	0	0	0	0	108.8
492	P	27.9	Very low	26.5	Very low	123 Å²	123	132.4 Å²	132.4	80%	0.799	75%	0.746	S	S	*	*				-154.7	-177.6	87.3	40	-19.4	0	0	0	117.1
493	T	24.1	Very low	26.6	Very low	129 Å²	129	132.5 Å²	132.5	79%	0.791	75%	0.745	S	S	*	*			trans	-127.7	-155.3	177.1	56.1	0	0	0	0	108.7
494	P	36.8	Very low	26.4	Very low	110 Å²	110	130.9 Å²	130.9	71%	0.714	74%	0.744	S	S	*	*			cis	-129.1	-166.9	-41	24.7	-1.8	0	0	0	113.5
495	V	25.4	Very low	26.4	Very low	125 Å²	125	130.5 Å²	130.5	76%	0.758	75%	0.746	S	S	*	*			trans	133.1	130.9	134.1	-179.2	0	0	0	0	117.7
496	N	24.1	Very low	26.3	Very low	138 Å²	138	128.9 Å²	128.9	74%	0.738	75%	0.745	S	S	*	*			trans	-28.1	156.6	161.7	-57.3	-9.2	0	0	0	118.5
497	T	24.6	Very low	26.2	Very low	120 Å²	120	130.5 Å²	130.5	74%	0.736	75%	0.754	S	S	*	*			cis	-158.1	-144.7	-5.8	26.4	0	0	0	0	107.9
498	T	25.6	Very low	26.4	Very low	112 Å²	112	130.5 Å²	130.5	69%	0.687	76%	0.759	S	S	*	*			cis	-167.2	157.1	11.1	-24.4	0	0	0	0	112.2
499	N	24.5	Very low	26.4	Very low	136 Å²	136	133 Å²	133	73%	0.727	77%	0.766	S	S	*	*			trans	32.3	111.7	158.6	-65.7	-1.2	0	0	0	121.9
500	N	28.5	Very low	26.6	Very low	160 Å²	160	132.8 Å²	132.8	86%	0.856	77%	0.766	S	S	*	*				176.7	164.4	105.2	-92.1	-19.6	0	0	0	113.6
501	S	24.1	Very low	26.5	Very low	112 Å²	112	133.1 Å²	133.1	78%	0.783	76%	0.762	S	S	*	*			trans	-131.1	178.9	173.9	-52.8	0	0	0	0	108.2
502	P	31.9	Very low	26.6	Very low	113 Å²	113	133.3 Å²	133.3	73%	0.734	77%	0.767	S	S	*	*			cis	-140.8	-150.5	10.4	35.9	-10.8	0	0	0	114.7
503	I	26.8	Very low	26.5	Very low	142 Å²	142	134 Å²	134	73%	0.728	76%	0.763	S	S	*	*			trans	98.8	90.3	162.8	-52.2	175.9	0	0	0	117.4
504	I	24	Very low	26.6	Very low	156 Å²	156	135.9 Å²	135.9	80%	0.8	77%	0.768	S	S	*	*				40.2	125.7	108.4	-62.5	165.1	0	0	0	116.1
505	S	24.3	Very low	26.3	Very low	100 Å²	100	136.5 Å²	136.5	70%	0.699	77%	0.772	S	S	*	*			cis	-163.4	167.4	40.6	55.3	0	0	0	0	116.2
506	S	26.6	Very low	26.3	Very low	99 Å²	99	141 Å²	141	69%	0.692	78%	0.782	S	S	*	*			trans	89.7	119.2	142.5	76.8	0	0	0	0	122.3
507	N	23.8	Very low	26.2	Very low	148 Å²	148	139.3 Å²	139.3	79%	0.791	78%	0.781	S	S	*	*			trans	52.9	108.3	138	-60.4	-6	0	0	0	122.2
508	S	31	Very low	26.2	Very low	124 Å²	124	143.2 Å²	143.2	87%	0.867	79%	0.787	S	S	*	*				-155.1	152.7	118.2	45.7	0	0	0	0	111.3
509	Y	24.3	Very low	26.1	Very low	213 Å²	213	144.3 Å²	144.3	84%	0.835	79%	0.788	S	S	*	*			trans	-101.2	139	180	-77.5	-110.6	0	0	0	110.6
510	N	28.3	Very low	25.9	Very low	145 Å²	145	147.2 Å²	147.2	78%	0.775	80%	0.798	S	S	*	*				178.1	142.9	115.1	-98.1	-60.6	0	0	0	115.9
511	K	26.1	Very low	25.7	Very low	167 Å²	167	148.8 Å²	148.8	73%	0.726	79%	0.793	S	S	*	*			trans	23.5	124.8	150.6	-64.4	-176.2	174.4	-172.8	0	122.8
512	C	26.3	Very low	25.7	Very low	128 Å²	128	148 Å²	148	87%	0.865	79%	0.788	S	S	*	*				-142.3	113.6	115.3	-78.6	0	0	0	0	105.7
513	D	25.3	Very low	25.3	Very low	136 Å²	136	153.1 Å²	153.1	73%	0.727	80%	0.798	S	S	*	*				77.5	86.7	76.9	-75.5	-8.9	0	0	0	114.8
514	L	26.9	Very low	25.2	Very low	170 Å²	170	149.9 Å²	149.9	89%	0.89	79%	0.788	S	S	*	*			trans	-141.6	133.5	152.9	-79.6	-178.8	0	0	0	109.2
515	P	29.3	Very low	25.1	Very low	123 Å²	123	146 Å²	146	80%	0.799	79%	0.786	S	S	*	*			trans	-92.4	123.3	-171	33.7	-33.4	0	0	0	113.8
516	F	25.2	Very low	25.3	Very low	220 Å²	220	146.9 Å²	146.9	97%	0.965	79%	0.788	S	S	*	*			trans	-119.4	128.3	154.9	-103.7	-86.8	0	0	0	108.9
517	S	23.6	Very low	25.1	Very low	102 Å²	102	147.2 Å²	147.2	71%	0.713	78%	0.781	S	S	*	*			trans	-149.7	149.2	172.1	81.4	0	0	0	0	111.8
518	K	23.5	Very low	25.3	Very low	201 Å²	201	145.9 Å²	145.9	87%	0.874	77%	0.773	S	S	*	*			trans	59.6	79.3	168.8	-60.4	-176.7	179.1	-179.6	0	117.1
519	L	23	Very low	24.9	Very low	135 Å²	135	144.9 Å²	144.9	71%	0.707	77%	0.766	S	S	*	*			trans	-139.7	109.2	131.4	-105.8	169.1	0	0	0	108.6	Y521	L519-Y521 HydrophobicContact CB-CD2 4.21Å; L519-Y521 HydrophobicContact CB-CE2 3.9Å; L519-Y521 HydrophobicContact CD1-CE2 4.01Å; L519-Y521 HydrophobicContact CD2-CE2 4.37Å; L519-Y521 HydrophobicContact CG-CE2 4.31Å; L519-Y521 PolarHBondContact O-N 2.91Å
520	Q	20.9	Very low	24.9	Very low	198 Å²	198	139.8 Å²	139.8	93%	0.925	75%	0.753	S	S	*	*			trans	-79.6	103.2	170	-74.3	176.2	-80.5	0	0	108.2
521	Y	24.2	Very low	24.7	Very low	192 Å²	192	139.5 Å²	139.5	75%	0.753	75%	0.751	S	S	*	*			trans	-82.1	126	168.1	-81.6	-83	0	0	0	110.3	L519	L519-Y521 HydrophobicContact CB-CD2 4.21Å; L519-Y521 HydrophobicContact CB-CE2 3.9Å; L519-Y521 HydrophobicContact CD1-CE2 4.01Å; L519-Y521 HydrophobicContact CD2-CE2 4.37Å; L519-Y521 HydrophobicContact CG-CE2 4.31Å; L519-Y521 PolarHBondContact O-N 2.91Å
522	S	24	Very low	24.5	Very low	96 Å²	96	138 Å²	138	67%	0.671	75%	0.751	S	S	*	*			trans	-67.9	143.4	175.7	48.4	0	0	0	0	111.4	S524	S522-S524 PolarHBondContact O-N 3.24Å
523	K	23.1	Very low	24.6	Very low	220 Å²	220	137.4 Å²	137.4	96%	0.957	74%	0.744	S	S	*	*			trans	-74.2	92.5	168.1	-72.5	-175.8	176.8	-177.7	0	109.7
524	S	25.1	Very low	24.6	Very low	74 Å²	74	135.5 Å²	135.5	52%	0.517	74%	0.741	S	S	.	*			trans	-147.2	76.2	172.5	54.7	0	0	0	0	109.8	S522	S522-S524 PolarHBondContact O-N 3.24Å
525	G	22.9	Very low	24.4	Very low	74 Å²	74	135.1 Å²	135.1	76%	0.763	73%	0.734	S	S	*	*			trans	-131.5	94.1	169.6	0	0	0	0	0	107.7
526	T	27	Very low	24.2	Very low	119 Å²	119	138.2 Å²	138.2	73%	0.73	73%	0.732	S	S	*	*			trans	-130.7	132	-172.1	-47.8	0	0	0	0	109.1
527	L	23.5	Very low	24.1	Very low	106 Å²	106	134.1 Å²	134.1	56%	0.555	72%	0.72	S	S	*	*			trans	-62.1	160.1	170.4	-68.8	67.2	0	0	0	109.5
528	I	27.5	Very low	24.4	Very low	121 Å²	121	135.5 Å²	135.5	62%	0.621	72%	0.723	S	S	*	*			trans	-151.1	122	130.1	-112.2	158.1	0	0	0	111.3	L530	I528-L530 HydrophobicContact CD1-CD1 4.24Å; I528-L530 HydrophobicContact CD1-CG 4.36Å; I528-L530 HydrophobicContact CG1-CD1 4.41Å; I528-L530 HydrophobicContact CG1-CG 4.08Å; I528-L530 HydrophobicContact CG2-CB 4.35Å; I528-L530 HydrophobicContact CG2-CD1 3.82Å; I528-L530 HydrophobicContact CG2-CG 3.8Å
529	S	23.3	Very low	24.4	Very low	102 Å²	102	129.1 Å²	129.1	71%	0.713	72%	0.715	S	S	*	*			trans	-118.1	83.3	162.2	171.9	0	0	0	0	105.7	N531	S529-N531 PolarHBondContact O-N 3.09Å
530	L	24.6	Very low	24.6	Very low	107 Å²	107	130.4 Å²	130.4	56%	0.56	72%	0.722	S	S	*	*			trans	-74.4	87	-175.3	-87.1	166.7	0	0	0	111.5	I528 N532	I528-L530 HydrophobicContact CD1-CD1 4.24Å; I528-L530 HydrophobicContact CD1-CG 4.36Å; I528-L530 HydrophobicContact CG1-CD1 4.41Å; I528-L530 HydrophobicContact CG1-CG 4.08Å; I528-L530 HydrophobicContact CG2-CB 4.35Å; I528-L530 HydrophobicContact CG2-CD1 3.82Å; I528-L530 HydrophobicContact CG2-CG 3.8Å; L530-N532 PolarHBondContact O-N 2.8Å
531	N	23.2	Very low	25	Very low	139 Å²	139	127.3 Å²	127.3	74%	0.743	72%	0.717	S	S	*	*			trans	-73.2	66.9	157.3	-79.8	-5.7	0	0	0	109.8	S529 T533	S529-N531 PolarHBondContact O-N 3.09Å; N531-T533 VanDerWaalsContact C-N 3.31Å; N531-T533 PolarHBondContact O-N 3.25Å
532	N	23.1	Very low	25	Very low	135 Å²	135	125.3 Å²	125.3	72%	0.722	72%	0.718	S	S	*	*			trans	-91.9	66.3	168	-84.3	14.8	0	0	0	110	L530 S534	L530-N532 PolarHBondContact O-N 2.8Å; N532-S534 PolarHBondContact O-N 3.47Å
533	T	26.8	Very low	25.2	Very low	116 Å²	116	128 Å²	128	71%	0.712	73%	0.725	S	S	*	*			trans	-75	108.2	157.4	45	0	0	0	0	108.1	N531 E535	N531-T533 VanDerWaalsContact C-N 3.31Å; N531-T533 PolarHBondContact O-N 3.25Å; T533-E535 PolarHBondContact O-N 3.49Å; T533-E535 VanDerWaalsContact O-N 3.12Å
534	S	25.5	Very low	25.3	Very low	95 Å²	95	121.6 Å²	121.6	66%	0.664	71%	0.708	S	S	*	*			trans	-63.5	109.2	168	37.2	0	0	0	0	109.4	N532 Y536	N532-S534 PolarHBondContact O-N 3.47Å; S534-Y536 PolarHBondContact O-N 3.19Å
535	E	23.5	Very low	25.5	Very low	162 Å²	162	125.1 Å²	125.1	76%	0.757	72%	0.721	S	S	*	*			trans	-67	104.6	170	-70.1	-170.6	150.1	0	0	109.2	T533 N537	T533-E535 PolarHBondContact O-N 3.49Å; T533-E535 VanDerWaalsContact O-N 3.12Å; E535-N537 PolarHBondContact O-N 3.14Å
536	Y	25.4	Very low	25.7	Very low	189 Å²	189	125.9 Å²	125.9	74%	0.741	72%	0.72	S	S	*	*			trans	-67.7	80	166.4	-86.6	-87.6	0	0	0	109.7	S534 V538	S534-Y536 PolarHBondContact O-N 3.19Å; Y536-V538 PolarHBondContact O-N 3.15Å
537	N	22.8	Very low	25.7	Very low	133 Å²	133	125.7 Å²	125.7	71%	0.711	72%	0.719	S	S	*	*			trans	-68.3	79.1	167.2	-87.8	-74.1	0	0	0	109.6	E535 G539	E535-N537 PolarHBondContact O-N 3.14Å; N537-G539 VanDerWaalsContact C-N 3.35Å; N537-G539 PolarHBondContact O-N 2.99Å
538	V	29.8	Very low	25.9	Very low	131 Å²	131	128.3 Å²	128.3	79%	0.794	73%	0.733	S	S	*	*			trans	-66.2	100.6	159	179.1	0	0	0	0	106.2	Y536	Y536-V538 PolarHBondContact O-N 3.15Å
539	G	23.2	Very low	26	Very low	68 Å²	68	126.6 Å²	126.6	70%	0.701	75%	0.745	S	S	*	*			trans	-59.8	139.1	-171.3	0	0	0	0	0	112.5	N537	N537-G539 VanDerWaalsContact C-N 3.35Å; N537-G539 PolarHBondContact O-N 2.99Å
540	N	27.4	Very low	26.2	Very low	161 Å²	161	126.4 Å²	126.4	86%	0.861	73%	0.734	S	S	*	*			trans	-136.5	155.6	167.8	-130.4	-25.2	0	0	0	110.5
541	V	29.3	Very low	26.2	Very low	134 Å²	134	124.6 Å²	124.6	81%	0.812	72%	0.723	S	S	*	*			trans	-80.9	145.8	-152.5	178.1	0	0	0	0	114.1	N543	V541-N543 PolarHBondContact O-N 3.26Å
542	I	24.2	Very low	26.5	Very low	150 Å²	150	121.9 Å²	121.9	77%	0.769	71%	0.711	S	S	*	*			trans	-65.3	118.2	173.9	-59.2	162.2	0	0	0	110.7
543	N	28.8	Very low	26.6	Very low	153 Å²	153	122.1 Å²	122.1	82%	0.818	71%	0.713	S	S	*	*				-166.6	159.6	113.4	-117	-34.3	0	0	0	113.8	V541	V541-N543 PolarHBondContact O-N 3.26Å
544	S	24.7	Very low	26.7	Very low	85 Å²	85	124 Å²	124	59%	0.594	72%	0.718	S	S	*	*			trans	-105.2	151.8	-177.8	59.4	0	0	0	0	112.8
545	N	28.2	Very low	26.7	Very low	148 Å²	148	126 Å²	126	79%	0.791	72%	0.722	S	S	*	*				163.2	138.9	120.2	-78.5	-13.4	0	0	0	112.3
546	A	28.5	Very low	26.9	Very low	90 Å²	90	128 Å²	128	74%	0.744	73%	0.728	S	S	*	*			trans	55.2	141.6	141.7	0	0	0	0	0	121
547	T	27.2	Very low	27	Very low	115 Å²	115	125.6 Å²	125.6	71%	0.706	73%	0.733	S	S	*	*			cis	-165.8	153.3	-4.6	13.3	0	0	0	0	110.5
548	D	26.9	Very low	27.3	Very low	160 Å²	160	125.2 Å²	125.2	86%	0.856	74%	0.738	S	S	*	*			trans	62.2	141.2	147	-51.6	-19.8	0	0	0	123.4
549	G	29.6	Very low	27	Very low	85 Å²	85	122.3 Å²	122.3	88%	0.876	73%	0.734	S	S	*	*			trans	151.4	90.3	170.8	0	0	0	0	0	114.9
550	M	26.5	Very low	27.2	Very low	99 Å²	99	127 Å²	127	49%	0.488	74%	0.741	S	S	.	*			trans	-131.2	143.5	-178.3	-163.1	161.5	173.2	0	0	107.7	T76 T552	T76-M550 PolarHBondContact N-O 3.28Å; T76-M550 PolarHBondContact OG1-O 2.76Å; M550-T552 HydrophobicContact CE-CG2 4.47Å
551	E	26.1	Very low	27	Very low	68 Å²	68	122.3 Å²	122.3	32%	0.318	73%	0.731	S	S	.	*				-147.9	167.1	61.1	-96.2	176.8	143	0	0	111.8	N75 T76 T77	N75-E551 WeakPolarHBondContact CA-OE1 3.38Å; N75-E551 WeakPolarHBondContact CA-OE2 3.31Å; N75-E551 PolarHBondContact N-OE1 3.35Å; T76-E551 WeakPolarHBondContact CA-OE2 3.36Å; T76-E551 PolarHBondContact N-OE2 2.83Å; T76-E551 PolarHBondContact O-N 3.48Å; T77-E551 PolarHBondContact N-OE2 3.29Å
552	T	28.5	Very low	26.9	Very low	82 Å²	82	123.6 Å²	123.6	50%	0.503	73%	0.73	S	S	.	*				50.1	148.9	69.4	109.2	0	0	0	0	115.4	M550	M550-T552 HydrophobicContact CE-CG2 4.47Å
553	N	26.3	Very low	26.9	Very low	140 Å²	140	123.3 Å²	123.3	75%	0.749	73%	0.73	S	S	*	*			cis	-164.9	156.5	-19.5	-118.2	-15.9	0	0	0	106.9
554	D	28.3	Very low	26.8	Very low	155 Å²	155	122.6 Å²	122.6	83%	0.829	73%	0.726	S	S	*	*			trans	-159.8	156.1	140.8	-140.3	-18.9	0	0	0	114.6
555	N	25.6	Very low	26.8	Very low	138 Å²	138	126.4 Å²	126.4	74%	0.738	73%	0.734	S	S	*	*			trans	-105.7	133.5	-168.6	-73.7	-83.7	0	0	0	113.6
556	K	27	Very low	26.8	Very low	203 Å²	203	125.5 Å²	125.5	88%	0.883	73%	0.728	S	S	*	*			trans	-138.3	110.3	150.5	-74.7	-172.3	178.8	168.3	0	111.4
557	T	29.1	Very low	26.7	Very low	140 Å²	140	127.9 Å²	127.9	86%	0.859	73%	0.727	S	S	*	*			trans	-55.3	139.6	152.6	17.8	0	0	0	0	108.8
558	P	27.5	Very low	26.9	Very low	125 Å²	125	127.6 Å²	127.6	81%	0.812	73%	0.73	S	S	*	*				-147.5	171	71.4	40.5	-23.6	0	0	0	116.5
559	G	25.1	Very low	27.4	Very low	69 Å²	69	128.3 Å²	128.3	71%	0.711	73%	0.725	S	S	*	*			trans	99.3	112.6	157.7	0	0	0	0	0	115.2	G561	G559-G561 PolarHBondContact O-N 3.14Å
560	I	26.6	Very low	28.2	Very low	166 Å²	166	128.4 Å²	128.4	85%	0.851	71%	0.713	S	S	*	*			trans	-78.8	68.1	164.8	-51.6	177.7	0	0	0	108.4	M562	I560-M562 HydrophobicContact CG2-CE 4.46Å; I560-M562 HydrophobicContact CG2-CG 4.25Å
561	G	23.4	Very low	30	Very low	63 Å²	63	126.9 Å²	126.9	65%	0.649	70%	0.701	S	S	*	*			trans	-85.6	107.3	154.8	0	0	0	0	0	107.1	G559 N563	G559-G561 PolarHBondContact O-N 3.14Å; G561-N563 PolarHBondContact O-N 3.02Å
562	M	26.7	Very low	32	Very low	161 Å²	161	128.6 Å²	128.6	79%	0.793	72%	0.716	S	S	*	*			trans	-72	76.4	172.9	-74.9	-168.5	174.3	0	0	109.6	I560 L564	I560-M562 HydrophobicContact CG2-CE 4.46Å; I560-M562 HydrophobicContact CG2-CG 4.25Å; M562-L564 PolarHBondContact O-N 2.72Å; M562-L564 VanDerWaalsContact O-N 3.13Å
563	N	23.5	Very low	33.8	Very low	144 Å²	144	128 Å²	128	77%	0.77	71%	0.707	S	S	*	*			trans	-70.3	106.2	174.9	-157.9	5.9	0	0	0	107.4	G561 Q565	G561-N563 PolarHBondContact O-N 3.02Å; N563-Q565 PolarHBondContact O-N 3.31Å
564	L	27.3	Very low	36.2	Very low	138 Å²	138	123.2 Å²	123.2	72%	0.723	68%	0.678	S	S	*	*			trans	-68.9	77.9	175.1	-89.7	80.6	0	0	0	109.8	M562 I566	M562-L564 PolarHBondContact O-N 2.72Å; M562-L564 VanDerWaalsContact O-N 3.13Å; L564-I566 PolarHBondContact O-N 2.56Å; L564-I566 VanDerWaalsContact O-N 3.11Å
565	Q	24	Very low	37.9	Very low	165 Å²	165	122.4 Å²	122.4	77%	0.771	67%	0.674	S	S	*	*			trans	-64.3	106.4	148.9	-77.9	-170.3	-27	0	0	106.7	N563 I567	N563-Q565 PolarHBondContact O-N 3.31Å; Q565-I567 PolarHBondContact O-N 3.19Å
566	I	29.7	Very low	39.8	Very low	130 Å²	130	117.4 Å²	117.4	67%	0.667	65%	0.652	S	S	*	*			trans	-70.9	81.6	175.5	-55.8	176	0	0	0	107.2	L564 S568	L564-I566 PolarHBondContact O-N 2.56Å; L564-I566 VanDerWaalsContact O-N 3.11Å; I566-S568 PolarHBondContact O-N 2.81Å; I566-S568 VanDerWaalsContact O-N 3.11Å
567	I	26.8	Very low	41.8	Very low	139 Å²	139	109.8 Å²	109.8	71%	0.713	62%	0.62	S	S	*	*			trans	-58.3	115.3	161.1	-63.1	175.8	0	0	0	105.4	Q565 K569	Q565-I567 PolarHBondContact O-N 3.19Å; I567-K569 PolarHBondContact O-N 3.12Å
568	S	30.2	Very low	43.4	Very low	110 Å²	110	104 Å²	104	77%	0.769	59%	0.586	S	S	*	*			trans	-72	70.2	-175.5	57.6	0	0	0	0	111.3	I566 S570	I566-S568 PolarHBondContact O-N 2.81Å; I566-S568 VanDerWaalsContact O-N 3.11Å; S568-S570 PolarHBondContact O-N 3.4Å
569	K	38.7	Very low	44.5	Very low	175 Å²	175	98 Å²	98	76%	0.761	55%	0.547	S	S	*	.			trans	-53.3	126.7	159.1	-72.6	-172.6	174.9	-176.1	0	107.1	I567 R571	I567-K569 PolarHBondContact O-N 3.12Å; K569-R571 PolarHBondContact O-N 2.7Å
570	S	46.2	Very low	45.8	Very low	87 Å²	87	96.8 Å²	96.8	61%	0.608	52%	0.522	S	S	*	.			trans	-50	119.2	176.3	-173.6	0	0	0	0	109	S568 V572	S568-S570 PolarHBondContact O-N 3.4Å; S570-V572 WeakPolarHBondContact O-CG2 3.31Å; S570-V572 PolarHBondContact O-N 3.31Å; S570-V572 VanDerWaalsContact O-N 3.09Å
571	R	63.3	Low	46.3	Very low	66 Å²	66	91.3 Å²	91.3	25%	0.249	50%	0.499	C	S	.	.			trans	-66.3	109.6	177.1	-71.9	180	174	156.6	4.2	107.5	K569 W960 L963 R964 S966 T967 G1067	K569-R571 PolarHBondContact O-N 2.7Å; R571-W960 WeakPolarHBondContact O-CZ2 3.41Å; R571-L963 PolarHBondContact NH1-O 3.49Å; R571-R964 HydrophobicContact CB-CG 4.2Å; R571-R964 PolarHBondContact O-NE 2.97Å; R571-S966 PolarHBondContact NH1-O 3.29Å; R571-S966 VanDerWaalsContact NH1-O 3.09Å; R571-T967 PolarHBondContact NH1-O 3.05Å; R571-T967 PolarHBondContact NH2-O 2.25Å; R571-G1067 PolarHBondContact NE-O 3.22Å; R571-G1067 VanDerWaalsContact NE-O 3.08Å; R571-G1067 PolarHBondContact NH2-O 3.06Å; R571-G1067 VanDerWaalsContact NH2-O 3.13Å
572	V	67.5	Low	46.9	Very low	105 Å²	105	94.8 Å²	94.8	64%	0.636	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-93.2	142.1	177.5	-173.5	0	0	0	0	109.2	S570	S570-V572 WeakPolarHBondContact O-CG2 3.31Å; S570-V572 PolarHBondContact O-N 3.31Å; S570-V572 VanDerWaalsContact O-N 3.09Å
573	K	67.4	Low	47.3	Very low	68 Å²	68	96.2 Å²	96.2	30%	0.296	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-68.5	138.1	179.5	-167	172.7	178.9	164.7	0	110.7	E958 W960 E1001	K573-E958 WeakPolarHBondContact CE-OE2 3.37Å; K573-E958 IonicContact NZ-OE1 3.89Å; K573-E958 PolarHBondContact NZ-OE1 2.9Å; K573-E958 IonicContact NZ-OE2 3.98Å; K573-E958 PolarHBondContact NZ-OE2 2.89Å; K573-W960 HydrophobicContact CB-CH2 3.94Å; K573-W960 HydrophobicContact CB-CZ2 3.86Å; K573-W960 HydrophobicContact CB-CZ3 4.37Å; K573-W960 HydrophobicContact CG-CD2 4.47Å; K573-W960 VanDerWaalsContact N-CZ2 3.33Å; K573-E1001 HydrophobicContact CD-CG 4.45Å; K573-E1001 HydrophobicContact CG-CB 4.49Å; K573-E1001 HydrophobicContact CG-CG 3.58Å
574	R	76.5	Confident	48	Very low	41 Å²	41	92.9 Å²	92.9	16%	0.155	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-92.7	124.9	-170.9	-60.3	177.5	-169.5	87.9	-5.4	114.8	K999 E1001 T1034 E1036 E1063 P1069	R574-K999 PolarHBondContact O-NZ 3.21Å; R574-E1001 VanDerWaalsContact CB-OE1 3.3Å; R574-E1001 WeakPolarHBondContact CB-OE1 3.47Å; R574-E1001 VanDerWaalsContact CG-OE1 3.3Å; R574-E1001 WeakPolarHBondContact CG-OE1 3.37Å; R574-E1001 IonicContact CZ-OE1 2.79Å; R574-E1001 PolarHBondContact N-OE1 3.14Å; R574-E1001 IonicContact NH1-OE1 3.48Å; R574-E1001 PolarHBondContact NH1-OE1 2.99Å; R574-E1001 IonicContact NH1-OE2 2.7Å; R574-T1034 HydrophobicContact CB-CG2 3.57Å; R574-T1034 HydrophobicContact CG-CG2 4.27Å; R574-E1036 VanDerWaalsContact CD-OE1 3.27Å; R574-E1036 WeakPolarHBondContact CD-OE1 3.17Å; R574-E1036 IonicContact CZ-OE1 3.89Å; R574-E1036 IonicContact NE-OE1 2.72Å; R574-E1036 PolarHBondContact NE-OE1 2.77Å; R574-E1063 IonicContact CZ-OE1 2.78Å; R574-E1063 VanDerWaalsContact CZ-OE1 3.24Å; R574-E1063 IonicContact CZ-OE2 3.84Å; R574-E1063 IonicContact NH1-OE1 3.77Å; R574-E1063 PolarHBondContact NH1-OE1 2.99Å; R574-E1063 IonicContact NH1-OE2 2.73Å; R574-E1063 IonicContact NH2-OE1 3.71Å; R574-E1063 PolarHBondContact NH2-OE1 2.85Å; R574-E1063 IonicContact NH2-OE2 2.7Å; R574-E1063 PolarHBondContact NH2-OE2 2.8Å; R574-P1069 VanDerWaalsContact NH2-CD 3.33Å
575	N	64.2	Low	48.4	Very low	137 Å²	137	91.8 Å²	91.8	73%	0.733	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-81	134	169.6	-65.8	-20.1	0	0	0	110.8
576	A	65.4	Low	48.9	Very low	34 Å²	34	87.7 Å²	87.7	28%	0.281	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-85.8	156.8	175.9	0	0	0	0	0	111.4	D997 F1018 T1034	A576-D997 WeakPolarHBondContact CB-OD1 3.25Å; A576-D997 WeakPolarHBondContact CB-OD2 3.27Å; A576-F1018 HydrophobicContact CB-CD2 4.3Å; A576-F1018 HydrophobicContact CB-CE2 3.5Å; A576-F1018 HydrophobicContact CB-CZ 4.13Å; A576-T1034 WeakPolarHBondContact CB-OG1 3.39Å
577	I	68.9	Low	49.1	Very low	42 Å²	42	83.6 Å²	83.6	22%	0.215	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	145.1	-178.3	-55.6	-179.2	0	0	0	109.6	F1018 C1032 G1033 P1035	I577-F1018 WeakPolarHBondContact O-CE2 3.18Å; I577-F1018 WeakPolarHBondContact O-CZ 3.15Å; I577-C1032 CarbonylContact O-C 3.57Å; I577-C1032 WeakPolarHBondContact O-CA 3.15Å; I577-C1032 WeakPolarHBondContact O-CB 3.34Å; I577-G1033 PolarHBondContact N-O 3.43Å; I577-G1033 PolarHBondContact O-N 2.73Å; I577-P1035 HydrophobicContact CD1-CG 3.85Å; I577-P1035 HydrophobicContact CG1-CG 4.4Å
578	S	61.8	Low	49.7	Very low	19 Å²	19	81 Å²	81	13%	0.133	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	151.8	169.8	-178.7	0	0	0	0	110.1	N688 F1031	S578-N688 WeakPolarHBondContact O-CB 3.31Å; S578-N688 PolarHBondContact O-N 2.91Å; S578-N688 VanDerWaalsContact O-N 3.14Å; S578-F1031 CarbonylContact C-O 3.5Å
579	G	51.5	Low	50.2	Low	0 Å²	0	79.9 Å²	79.9	0%	0	43%	0.431	C	S	.	.			trans	-118.1	-3.4	-175.2	0	0	0	0	0	115	R708 F1031	G579-R708 PolarHBondContact O-NH1 3.2Å; G579-F1031 WeakPolarHBondContact CA-O 3.38Å; G579-F1031 PolarHBondContact N-O 3.47Å
580	E	52.5	Low	50.1	Low	42 Å²	42	75.9 Å²	75.9	20%	0.196	43%	0.425	C	S	.	.			trans	-66.6	150.3	-170.5	-62.3	-165.9	154	0	0	113.1	H918 K1020 T1030	E580-H918 IonicContact OE1-NE2 2.83Å; E580-H918 IonicContact OE2-CD2 3.17Å; E580-H918 IonicContact OE2-CE1 2.66Å; E580-H918 IonicContact OE2-NE2 3.39Å; E580-H918 PolarHBondContact OE2-NE2 3.48Å; E580-K1020 IonicContact OE1-NZ 3.19Å; E580-T1030 HydrophobicContact CG-CG2 3.32Å; E580-T1030 WeakPolarHBondContact OE1-CB 3.06Å; E580-T1030 WeakPolarHBondContact OE1-CG2 3.45Å; E580-T1030 PolarHBondContact OE1-OG1 3.41Å
581	S	38.1	Very low	49.8	Very low	52 Å²	52	78.4 Å²	78.4	36%	0.364	43%	0.426	S	S	.	.			trans	-127.3	154.3	173.9	-162.7	0	0	0	0	109.1	K583 Y584	S581-K583 PolarHBondContact O-N 3.44Å; S581-Y584 PolarHBondContact O-N 3.16Å
582	E	34.8	Very low	48.9	Very low	135 Å²	135	76 Å²	76	63%	0.631	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	116.6	-166.9	-169.8	159.5	-129.6	0	0	112.8	K914	E582-K914 IonicContact OE1-NZ 2.88Å; E582-K914 PolarHBondContact OE1-NZ 2.93Å; E582-K914 IonicContact OE2-NZ 2.62Å; E582-K914 PolarHBondContact OE2-NZ 3.39Å
583	K	35.7	Very low	47.7	Very low	191 Å²	191	74.4 Å²	74.4	83%	0.83	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	49.7	177.6	-60.9	-177.6	178.2	177.9	0	115.1	S581 L585	S581-K583 PolarHBondContact O-N 3.44Å; K583-L585 PolarHBondContact O-N 3.38Å
584	Y	37.1	Very low	46.6	Very low	75 Å²	75	77.6 Å²	77.6	29%	0.294	43%	0.432	S	S	.	.			trans	-73.6	58.3	164.3	-145.1	-83.3	0	0	0	113.3	S581 P709 S713 M716	S581-Y584 PolarHBondContact O-N 3.16Å; Y584-P709 HydrophobicContact CE2-CB 4.16Å; Y584-S713 WeakPolarHBondContact OH-CA 3.34Å; Y584-S713 WeakPolarHBondContact OH-CB 3.31Å; Y584-S713 PolarHBondContact OH-OG 3.3Å; Y584-M716 HydrophobicContact CE1-CE 3.95Å; Y584-M716 HydrophobicContact CE1-SD 4.47Å
585	L	36.2	Very low	45.6	Very low	115 Å²	115	78.1 Å²	78.1	60%	0.602	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-62.9	129.1	156.5	-82.9	165.4	0	0	0	107.6	K583 P587	K583-L585 PolarHBondContact O-N 3.38Å; L585-P587 WeakPolarHBondContact O-CD 3.38Å
586	P	35	Very low	45.4	Very low	79 Å²	79	75.3 Å²	75.3	51%	0.513	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-52.8	125.5	170	-26.7	35.6	0	0	0	109.6	M716	P586-M716 HydrophobicContact CB-CE 3.75Å; P586-M716 HydrophobicContact CB-SD 4.39Å; P586-M716 HydrophobicContact CG-CE 4.08Å; P586-M716 HydrophobicContact CG-SD 4.09Å
587	P	34.4	Very low	45.7	Very low	44 Å²	44	80.2 Å²	80.2	29%	0.286	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-57.8	145	173.4	-18.6	29.1	0	0	0	108.7	L585 A589 H591 L592	L585-P587 WeakPolarHBondContact O-CD 3.38Å; P587-A589 PolarHBondContact O-N 3.4Å; P587-H591 HydrophobicContact CB-CB 4.1Å; P587-L592 HydrophobicContact CB-CD1 4.47Å; P587-L592 HydrophobicContact CB-CG 4.16Å; P587-L592 HydrophobicContact CG-CD2 4.43Å; P587-L592 HydrophobicContact CG-CG 4.35Å; P587-L592 VanDerWaalsContact O-CD1 3.23Å; P587-L592 WeakPolarHBondContact O-CD1 3.37Å
588	P	37.8	Very low	46.2	Very low	84 Å²	84	80.5 Å²	80.5	55%	0.545	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-51	143.5	172	-26.4	34.8	0	0	0	110.2	S590 H591	P588-S590 PolarHBondContact O-N 2.94Å; P588-H591 PolarHBondContact O-N 3.24Å
589	A	40.8	Very low	47.2	Very low	87 Å²	87	88.4 Å²	88.4	72%	0.719	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-18.3	-172.6	0	0	0	0	0	114.4	P587	P587-A589 PolarHBondContact O-N 3.4Å
590	S	36.6	Very low	49	Very low	90 Å²	90	89.2 Å²	89.2	63%	0.629	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-33.5	171	46.9	0	0	0	0	115	P588	P588-S590 PolarHBondContact O-N 2.94Å
591	H	40.6	Very low	50.7	Low	140 Å²	140	90.5 Å²	90.5	65%	0.648	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-83	-22.5	178.3	-77.6	-80.7	0	0	0	113	P587 P588 S593	P587-H591 HydrophobicContact CB-CB 4.1Å; P588-H591 PolarHBondContact O-N 3.24Å; H591-S593 PolarHBondContact O-N 3.43Å; H591-S593 VanDerWaalsContact O-N 3.15Å
592	L	43.9	Very low	53.1	Low	16 Å²	16	92.1 Å²	92.1	8%	0.084	51%	0.507	C	S	.	.	G	3₁₀ helix	trans	-68.4	-6.5	-178.1	-83.9	152.5	0	0	0	114.4	P587 W595 F717	P587-L592 HydrophobicContact CB-CD1 4.47Å; P587-L592 HydrophobicContact CB-CG 4.16Å; P587-L592 HydrophobicContact CG-CD2 4.43Å; P587-L592 HydrophobicContact CG-CG 4.35Å; P587-L592 VanDerWaalsContact O-CD1 3.23Å; P587-L592 WeakPolarHBondContact O-CD1 3.37Å; L592-W595 VanDerWaalsContact O-CE2 3.28Å; L592-W595 WeakPolarHBondContact O-CH2 3.4Å; L592-W595 WeakPolarHBondContact O-CZ2 3.27Å; L592-W595 WeakPolarHBondContact O-CZ3 3.26Å; L592-F717 HydrophobicContact CB-CD2 3.93Å; L592-F717 HydrophobicContact CB-CE2 3.66Å; L592-F717 HydrophobicContact CB-CZ 4.31Å; L592-F717 HydrophobicContact CD1-CD2 3.78Å; L592-F717 HydrophobicContact CD1-CE2 4.04Å; L592-F717 HydrophobicContact CD2-CB 4.3Å; L592-F717 HydrophobicContact CD2-CD2 3.86Å; L592-F717 HydrophobicContact CD2-CE2 4.46Å; L592-F717 HydrophobicContact CD2-CG 4.23Å; L592-F717 HydrophobicContact CG-CD2 4.06Å; L592-F717 HydrophobicContact CG-CE2 4.26Å
593	S	43.6	Very low	55.8	Low	71 Å²	71	91.9 Å²	91.9	50%	0.497	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-77.2	-23.8	178.2	61.1	0	0	0	0	114.5	H591 W595	H591-S593 PolarHBondContact O-N 3.43Å; H591-S593 VanDerWaalsContact O-N 3.15Å; S593-W595 VanDerWaalsContact O-CE3 3.27Å; S593-W595 VanDerWaalsContact O-CZ3 3.29Å; S593-W595 WeakPolarHBondContact O-CZ3 3.07Å
594	N	43.5	Very low	58.5	Low	136 Å²	136	82.8 Å²	82.8	73%	0.727	47%	0.466	S	S	*	.			trans	-114	60	-163.7	-67.8	16	0	0	0	112.4
595	W	56.5	Low	61.1	Low	51 Å²	51	82 Å²	82	19%	0.193	46%	0.464	C	S	.	.			trans	-59.9	151.3	164	-52.9	-89	0	0	0	110.9	L592 S593 K597 F717	L592-W595 VanDerWaalsContact O-CE2 3.28Å; L592-W595 WeakPolarHBondContact O-CH2 3.4Å; L592-W595 WeakPolarHBondContact O-CZ2 3.27Å; L592-W595 WeakPolarHBondContact O-CZ3 3.26Å; S593-W595 VanDerWaalsContact O-CE3 3.27Å; S593-W595 VanDerWaalsContact O-CZ3 3.29Å; S593-W595 WeakPolarHBondContact O-CZ3 3.07Å; W595-K597 VanDerWaalsContact C-N 3.27Å; W595-K597 PolarHBondContact O-N 2.9Å; W595-F717 AromaticContact CH2-CD1 3.85Å; W595-F717 HydrophobicContact CH2-CD1 3.85Å; W595-F717 AromaticContact CH2-CE1 3.5Å; W595-F717 HydrophobicContact CH2-CE1 3.5Å; W595-F717 VanDerWaalsContact CH2-CE1 3.5Å; W595-F717 HydrophobicContact CH2-CZ 4.13Å; W595-F717 AromaticContact CZ2-CD1 3.55Å; W595-F717 HydrophobicContact CZ2-CD1 3.55Å; W595-F717 AromaticContact CZ2-CE1 3.7Å; W595-F717 HydrophobicContact CZ2-CE1 3.7Å; W595-F717 HydrophobicContact CZ2-CG 4.13Å; W595-F717 HydrophobicContact CZ2-CZ 4.4Å
596	P	59.9	Low	63.8	Low	79 Å²	79	79.3 Å²	79.3	51%	0.513	46%	0.459	S	S	.	.			trans	-67.6	84.6	171	29.5	-35.1	0	0	0	110.5	I598	P596-I598 PolarHBondContact O-N 3.29Å
597	K	71.4	Confident	66.6	Low	136 Å²	136	77.8 Å²	77.8	59%	0.591	45%	0.446	S	S	*	.			trans	-74.8	94.8	175.1	177.7	164.3	175	145.9	0	109.4	W595 D631	W595-K597 VanDerWaalsContact C-N 3.27Å; W595-K597 PolarHBondContact O-N 2.9Å; K597-D631 WeakPolarHBondContact CE-OD2 3.45Å; K597-D631 HydrophobicContact CG-CB 4.26Å; K597-D631 IonicContact NZ-OD1 3.22Å; K597-D631 IonicContact NZ-OD2 2.71Å; K597-D631 PolarHBondContact NZ-OD2 3.35Å
598	I	79	Confident	69.4	Low	49 Å²	49	75.7 Å²	75.7	25%	0.251	43%	0.433	S	S	.	.			trans	-82.9	125.8	178.4	-67.8	168.2	0	0	0	108.7	P596 K600 D631 C634 W704	P596-I598 PolarHBondContact O-N 3.29Å; I598-K600 PolarHBondContact O-NZ 2.93Å; I598-D631 PolarHBondContact N-O 3.42Å; I598-D631 VanDerWaalsContact N-O 3.12Å; I598-C634 HydrophobicContact CD1-CB 3.94Å; I598-C634 WeakPolarHBondContact CD1-SG 3.28Å; I598-W704 HydrophobicContact CG2-CZ3 4.3Å
599	E	81.7	Confident	72	Confident	184 Å²	184	74 Å²	74	86%	0.86	42%	0.42	S	S	*	.			trans	-64.2	140.4	175.8	-62.6	-154.9	133.4	0	0	111.4
600	K	89.2	Confident	74.5	Confident	18 Å²	18	74.7 Å²	74.7	8%	0.078	41%	0.409	C	S	.	.			trans	-145.9	139.4	-176	-57.4	175.7	-176.7	68.3	0	108.8	I598 K605 I608 V630 D631 M633 W704	I598-K600 PolarHBondContact O-NZ 2.93Å; K600-K605 HydrophobicContact CB-CD 4.44Å; K600-K605 HydrophobicContact CB-CG 3.76Å; K600-K605 HydrophobicContact CD-CG 4.41Å; K600-I608 HydrophobicContact CD-CD1 3.98Å; K600-V630 WeakPolarHBondContact CD-O 3.23Å; K600-V630 WeakPolarHBondContact CE-O 3.27Å; K600-V630 PolarHBondContact NZ-O 2.87Å; K600-D631 PolarHBondContact NZ-O 2.86Å; K600-M633 WeakPolarHBondContact CE-O 3.47Å; K600-M633 PolarHBondContact NZ-O 3.38Å; K600-W704 HydrophobicContact CD-CE3 4.04Å; K600-W704 HydrophobicContact CD-CH2 4.12Å; K600-W704 HydrophobicContact CD-CZ3 3.82Å; K600-W704 HydrophobicContact CG-CH2 3.73Å; K600-W704 HydrophobicContact CG-CZ2 4.4Å; K600-W704 HydrophobicContact CG-CZ3 3.8Å
601	P	88.9	Confident	77.1	Confident	68 Å²	68	70.5 Å²	70.5	44%	0.442	38%	0.38	S	S	.	.			trans	-53.7	150.2	171.4	-25.6	34.6	0	0	0	112.5	H603 T604 K605	P601-H603 VanDerWaalsContact C-N 3.26Å; P601-H603 VanDerWaalsContact CB-CE1 3.43Å; P601-H603 WeakPolarHBondContact CB-CE1 3.49Å; P601-H603 PolarHBondContact O-N 3.36Å; P601-T604 WeakPolarHBondContact O-CB 3.46Å; P601-T604 PolarHBondContact O-N 3.27Å; P601-T604 VanDerWaalsContact O-N 3.13Å; P601-K605 PolarHBondContact O-N 3.17Å
602	A	89.3	Confident	79.4	Confident	87 Å²	87	63.9 Å²	63.9	72%	0.719	35%	0.349	S	S	*	.	H	α-helix	trans	-58.3	-38	179.9	0	0	0	0	0	112.6	K605 A606	A602-K605 PolarHBondContact O-N 3.15Å; A602-A606 PolarHBondContact O-N 3.14Å
603	H	90.9	Very high	81.6	Confident	130 Å²	130	66.7 Å²	66.7	60%	0.602	36%	0.364	S	S	*	.	H	α-helix	trans	-63.9	-44.6	175.8	69.4	-99.4	0	0	0	111.9	P601 K605 A606 L607	P601-H603 VanDerWaalsContact C-N 3.26Å; P601-H603 VanDerWaalsContact CB-CE1 3.43Å; P601-H603 WeakPolarHBondContact CB-CE1 3.49Å; P601-H603 PolarHBondContact O-N 3.36Å; H603-K605 PolarHBondContact O-N 3.42Å; H603-A606 PolarHBondContact O-N 2.88Å; H603-L607 PolarHBondContact O-N 3.26Å
604	T	91.6	Very high	83.6	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-61.5	-43	176	-52.1	0	0	0	0	111.3	P601 A606 L607 I608 E658 W704	P601-T604 WeakPolarHBondContact O-CB 3.46Å; P601-T604 PolarHBondContact O-N 3.27Å; P601-T604 VanDerWaalsContact O-N 3.13Å; T604-A606 VanDerWaalsContact C-N 3.34Å; T604-A606 PolarHBondContact O-N 3.44Å; T604-L607 PolarHBondContact O-N 3.23Å; T604-I608 HydrophobicContact CG2-CD1 3.88Å; T604-I608 HydrophobicContact CG2-CG1 4.43Å; T604-I608 VanDerWaalsContact O-CG1 3.27Å; T604-I608 WeakPolarHBondContact O-CG1 3.21Å; T604-I608 PolarHBondContact O-N 3.15Å; T604-E658 WeakPolarHBondContact CB-OE1 3.43Å; T604-E658 HydrophobicContact CG2-CG 4.44Å; T604-E658 VanDerWaalsContact CG2-OE1 3.24Å; T604-E658 WeakPolarHBondContact CG2-OE1 3.46Å; T604-E658 PolarHBondContact OG1-OE1 2.99Å; T604-W704 HydrophobicContact CG2-CD2 4.49Å; T604-W704 HydrophobicContact CG2-CZ2 3.6Å
605	K	92.4	Very high	85.5	Confident	57 Å²	57	62.7 Å²	62.7	25%	0.248	34%	0.337	C	S	.	.	H	α-helix	trans	-61.9	-40.6	175.1	-67.1	-161.6	-177.1	-167.7	0	112.3	K600 P601 A602 H603 T609 V630 D631	K600-K605 HydrophobicContact CB-CD 4.44Å; K600-K605 HydrophobicContact CB-CG 3.76Å; K600-K605 HydrophobicContact CD-CG 4.41Å; P601-K605 PolarHBondContact O-N 3.17Å; A602-K605 PolarHBondContact O-N 3.15Å; H603-K605 PolarHBondContact O-N 3.42Å; K605-T609 VanDerWaalsContact O-CB 3.31Å; K605-T609 WeakPolarHBondContact O-CB 3.13Å; K605-T609 PolarHBondContact O-N 3.37Å; K605-T609 PolarHBondContact O-OG1 3.28Å; K605-V630 HydrophobicContact CB-CG1 3.91Å; K605-V630 HydrophobicContact CD-CG1 4.23Å; K605-V630 HydrophobicContact CG-CG1 3.9Å; K605-D631 IonicContact NZ-OD1 3.25Å; K605-D631 PolarHBondContact NZ-OD1 3.42Å
606	A	92.5	Very high	86.2	Confident	59 Å²	59	64.6 Å²	64.6	49%	0.488	35%	0.351	S	S	.	.	H	α-helix	trans	-64.3	-44.5	175.7	0	0	0	0	0	111.8	A602 H603 T604 T609 Q610	A602-A606 PolarHBondContact O-N 3.14Å; H603-A606 PolarHBondContact O-N 2.88Å; T604-A606 VanDerWaalsContact C-N 3.34Å; T604-A606 PolarHBondContact O-N 3.44Å; A606-T609 PolarHBondContact O-N 3.42Å; A606-Q610 WeakPolarHBondContact O-CB 3.17Å; A606-Q610 PolarHBondContact O-N 3.17Å
607	L	93.6	Very high	86.7	Confident	48 Å²	48	61 Å²	61	25%	0.251	33%	0.327	S	S	.	.	H	α-helix	trans	-59.9	-49.4	176.8	-174.8	155.3	0	0	0	111.6	H603 T604 T609 Q610 A611 V656 E658	H603-L607 PolarHBondContact O-N 3.26Å; T604-L607 PolarHBondContact O-N 3.23Å; L607-T609 VanDerWaalsContact C-N 3.33Å; L607-T609 PolarHBondContact O-N 3.45Å; L607-Q610 PolarHBondContact O-N 3Å; L607-A611 WeakPolarHBondContact O-CB 3.14Å; L607-A611 PolarHBondContact O-N 2.92Å; L607-V656 HydrophobicContact CD2-CG1 4.36Å; L607-E658 HydrophobicContact CD1-CG 4.13Å; L607-E658 HydrophobicContact CD2-CB 4.37Å; L607-E658 HydrophobicContact CD2-CG 4.36Å
608	I	93	Very high	87.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.3	-42.3	178	-60.5	164.2	0	0	0	110.6	K600 T604 Q610 A611 I612 V630 M633 V656 W704	K600-I608 HydrophobicContact CD-CD1 3.98Å; T604-I608 HydrophobicContact CG2-CD1 3.88Å; T604-I608 HydrophobicContact CG2-CG1 4.43Å; T604-I608 VanDerWaalsContact O-CG1 3.27Å; T604-I608 WeakPolarHBondContact O-CG1 3.21Å; T604-I608 PolarHBondContact O-N 3.15Å; I608-Q610 PolarHBondContact O-N 3.4Å; I608-A611 PolarHBondContact O-N 3.22Å; I608-I612 HydrophobicContact CG2-CD1 3.91Å; I608-I612 WeakPolarHBondContact O-CB 3.33Å; I608-I612 VanDerWaalsContact O-CG1 3.3Å; I608-I612 WeakPolarHBondContact O-CG1 3.35Å; I608-I612 PolarHBondContact O-N 3.07Å; I608-V630 HydrophobicContact CB-CG2 4.32Å; I608-V630 HydrophobicContact CG2-CG2 3.82Å; I608-M633 HydrophobicContact CG2-SD 3.48Å; I608-M633 WeakPolarHBondContact CG2-SD 3.36Å; I608-V656 HydrophobicContact CG1-CG1 4.35Å; I608-V656 HydrophobicContact CG2-CG2 4.34Å; I608-W704 HydrophobicContact CD1-CB 4.07Å; I608-W704 HydrophobicContact CD1-CD2 3.82Å; I608-W704 HydrophobicContact CD1-CE3 4.48Å; I608-W704 HydrophobicContact CD1-CG 3.55Å; I608-W704 HydrophobicContact CG1-CB 4.46Å; I608-W704 HydrophobicContact CG1-CG 4.14Å
609	T	93.2	Very high	87.3	Confident	47 Å²	47	56.4 Å²	56.4	29%	0.288	31%	0.305	S	S	.	.	H	α-helix	trans	-60.5	-44.8	176.9	-57.2	0	0	0	0	111.3	K605 A606 L607 I612 L613 I626	K605-T609 VanDerWaalsContact O-CB 3.31Å; K605-T609 WeakPolarHBondContact O-CB 3.13Å; K605-T609 PolarHBondContact O-N 3.37Å; K605-T609 PolarHBondContact O-OG1 3.28Å; A606-T609 PolarHBondContact O-N 3.42Å; L607-T609 VanDerWaalsContact C-N 3.33Å; L607-T609 PolarHBondContact O-N 3.45Å; T609-I612 PolarHBondContact O-N 3.47Å; T609-L613 HydrophobicContact CG2-CD1 4.05Å; T609-L613 WeakPolarHBondContact O-CG 3.29Å; T609-L613 PolarHBondContact O-N 3.37Å; T609-I626 HydrophobicContact CG2-CG2 4.09Å
610	Q	92.7	Very high	86.9	Confident	102 Å²	102	51.2 Å²	51.2	48%	0.477	28%	0.281	S	S	.	.	H	α-helix	trans	-69.3	-38.4	179.7	-167.8	60.7	47.9	0	0	112.2	A606 L607 I608 I612 L613 N614	A606-Q610 WeakPolarHBondContact O-CB 3.17Å; A606-Q610 PolarHBondContact O-N 3.17Å; L607-Q610 PolarHBondContact O-N 3Å; I608-Q610 PolarHBondContact O-N 3.4Å; Q610-I612 VanDerWaalsContact C-N 3.33Å; Q610-I612 PolarHBondContact O-N 3.37Å; Q610-L613 PolarHBondContact O-N 2.85Å; Q610-N614 PolarHBondContact NE2-OD1 3.23Å; Q610-N614 WeakPolarHBondContact O-CB 3.48Å; Q610-N614 PolarHBondContact O-N 2.98Å; Q610-N614 PolarHBondContact O-ND2 3.06Å; Q610-N614 PolarHBondContact O-OD1 2.96Å
611	A	92.6	Very high	86.3	Confident	2 Å²	2	51 Å²	51	2%	0.017	28%	0.28	C	S	.	.	H	α-helix	trans	-58	-46.8	173.1	0	0	0	0	0	111.1	L607 I608 L613 N614 N615 V656 G677 V679	L607-A611 WeakPolarHBondContact O-CB 3.14Å; L607-A611 PolarHBondContact O-N 2.92Å; I608-A611 PolarHBondContact O-N 3.22Å; A611-L613 PolarHBondContact O-N 2.93Å; A611-N614 PolarHBondContact O-N 3.07Å; A611-N615 PolarHBondContact O-N 3.21Å; A611-N615 VanDerWaalsContact O-N 3.11Å; A611-V656 HydrophobicContact CB-CG1 3.59Å; A611-G677 WeakPolarHBondContact CA-O 3.41Å; A611-G677 VanDerWaalsContact CB-O 3.22Å; A611-G677 WeakPolarHBondContact CB-O 3.36Å; A611-V679 HydrophobicContact CB-CG2 3.82Å; A611-V679 WeakPolarHBondContact O-CG2 3.23Å
612	I	89.2	Confident	85.6	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-40.8	176.8	-72.1	172.5	0	0	0	111.9	I608 T609 Q610 N615 M618 K619 I626 I629 V630	I608-I612 HydrophobicContact CG2-CD1 3.91Å; I608-I612 WeakPolarHBondContact O-CB 3.33Å; I608-I612 VanDerWaalsContact O-CG1 3.3Å; I608-I612 WeakPolarHBondContact O-CG1 3.35Å; I608-I612 PolarHBondContact O-N 3.07Å; T609-I612 PolarHBondContact O-N 3.47Å; Q610-I612 VanDerWaalsContact C-N 3.33Å; Q610-I612 PolarHBondContact O-N 3.37Å; I612-N615 PolarHBondContact O-N 3.45Å; I612-M618 HydrophobicContact CD1-CE 4.09Å; I612-M618 HydrophobicContact CG1-CE 3.85Å; I612-M618 HydrophobicContact CG1-SD 4.49Å; I612-M618 HydrophobicContact CG2-CB 3.91Å; I612-M618 HydrophobicContact CG2-CE 4.06Å; I612-M618 CarbonylContact O-C 3.51Å; I612-K619 PolarHBondContact O-N 3.27Å; I612-I626 HydrophobicContact CB-CG2 4.42Å; I612-I626 HydrophobicContact CD1-CG2 4.41Å; I612-I626 HydrophobicContact CG2-CB 4.45Å; I612-I626 HydrophobicContact CG2-CD1 4.04Å; I612-I626 HydrophobicContact CG2-CG1 3.85Å; I612-I626 HydrophobicContact CG2-CG2 3.88Å; I612-I629 HydrophobicContact CD1-CB 4.43Å; I612-I629 HydrophobicContact CD1-CG2 3.81Å; I612-V630 HydrophobicContact CD1-CG2 4.09Å
613	L	88.1	Confident	85.2	Confident	76 Å²	76	54.9 Å²	54.9	40%	0.398	28%	0.277	S	S	.	.	H	α-helix	trans	-72.5	-25.4	176.7	-70.1	170.9	0	0	0	113.6	T609 Q610 A611 K619 I626	T609-L613 HydrophobicContact CG2-CD1 4.05Å; T609-L613 WeakPolarHBondContact O-CG 3.29Å; T609-L613 PolarHBondContact O-N 3.37Å; Q610-L613 PolarHBondContact O-N 2.85Å; A611-L613 PolarHBondContact O-N 2.93Å; L613-K619 VanDerWaalsContact O-CB 3.29Å; L613-K619 WeakPolarHBondContact O-CB 3.5Å; L613-I626 HydrophobicContact CD2-CD1 3.77Å; L613-I626 HydrophobicContact CG-CD1 4.47Å
614	N	86.4	Confident	84.7	Confident	105 Å²	105	55.8 Å²	55.8	56%	0.561	28%	0.275	S	S	*	.	H	α-helix	trans	-79.5	-20.9	174.4	-69.1	-8.2	0	0	0	112.5	Q610 A611	Q610-N614 PolarHBondContact NE2-OD1 3.23Å; Q610-N614 WeakPolarHBondContact O-CB 3.48Å; Q610-N614 PolarHBondContact O-N 2.98Å; Q610-N614 PolarHBondContact O-ND2 3.06Å; Q610-N614 PolarHBondContact O-OD1 2.96Å; A611-N614 PolarHBondContact O-N 3.07Å
615	N	84.4	Confident	84.4	Confident	17 Å²	17	56.3 Å²	56.3	9%	0.091	28%	0.277	C	S	.	.	S	Bend	trans	-75.3	130.1	-178.2	-178.8	-89.1	0	0	0	112.1	A611 I612 F617 M618 K619 V679 E682	A611-N615 PolarHBondContact O-N 3.21Å; A611-N615 VanDerWaalsContact O-N 3.11Å; I612-N615 PolarHBondContact O-N 3.45Å; N615-F617 PolarHBondContact O-N 3.46Å; N615-F617 WeakPolarHBondContact OD1-CB 3.45Å; N615-F617 PolarHBondContact OD1-N 3.04Å; N615-M618 HydrophobicContact CB-CB 4.24Å; N615-M618 PolarHBondContact O-N 3.2Å; N615-M618 PolarHBondContact OD1-N 2.86Å; N615-K619 WeakPolarHBondContact O-CB 3.49Å; N615-K619 WeakPolarHBondContact O-CD 3.22Å; N615-K619 VanDerWaalsContact O-CG 3.3Å; N615-K619 WeakPolarHBondContact O-CG 3.49Å; N615-K619 PolarHBondContact O-N 3.02Å; N615-K619 VanDerWaalsContact O-N 3.12Å; N615-V679 HydrophobicContact CB-CB 4.17Å; N615-V679 HydrophobicContact CB-CG2 3.91Å; N615-E682 PolarHBondContact ND2-OE1 2.82Å
616	D	71.1	Confident	84.2	Confident	91 Å²	91	54 Å²	54	49%	0.487	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.8	-175.5	-90.9	-40.8	0	0	0	114.3	K619 H620	D616-K619 VanDerWaalsContact O-CE 3.28Å; D616-K619 WeakPolarHBondContact O-CE 3.36Å; D616-K619 IonicContact OD1-NZ 2.66Å; D616-K619 PolarHBondContact OD1-NZ 2.9Å; D616-H620 PolarHBondContact O-CE1 2.88Å; D616-H620 PolarHBondContact O-ND1 2.81Å
617	F	70.5	Confident	84	Confident	4 Å²	4	54.5 Å²	54.5	2%	0.018	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-58.7	174.3	173.6	-104.5	0	0	0	111.4	N615 K619 H620 L686 F711 I1043 L1044 M1077 L1084	N615-F617 PolarHBondContact O-N 3.46Å; N615-F617 WeakPolarHBondContact OD1-CB 3.45Å; N615-F617 PolarHBondContact OD1-N 3.04Å; F617-K619 VanDerWaalsContact C-N 3.29Å; F617-K619 PolarHBondContact O-N 3.43Å; F617-H620 PolarHBondContact O-N 2.94Å; F617-H620 PolarHBondContact O-ND1 2.89Å; F617-L686 HydrophobicContact CD1-CD1 3.9Å; F617-L686 HydrophobicContact CD1-CD2 4.37Å; F617-L686 HydrophobicContact CD2-CD1 3.99Å; F617-L686 HydrophobicContact CE1-CD1 4.05Å; F617-L686 HydrophobicContact CE1-CD2 3.66Å; F617-L686 HydrophobicContact CE1-CG 4.24Å; F617-L686 HydrophobicContact CE2-CD1 4.11Å; F617-L686 HydrophobicContact CE2-CD2 3.9Å; F617-L686 HydrophobicContact CG-CD1 3.91Å; F617-L686 HydrophobicContact CZ-CD1 4.17Å; F617-L686 HydrophobicContact CZ-CD2 3.4Å; F617-L686 VanDerWaalsContact CZ-CD2 3.4Å; F617-L686 HydrophobicContact CZ-CG 4.33Å; F617-F711 HydrophobicContact CE1-CZ 4.31Å; F617-I1043 HydrophobicContact CD2-CG2 4.35Å; F617-I1043 HydrophobicContact CE2-CG2 4.04Å; F617-I1043 WeakPolarHBondContact CE2-O 3.34Å; F617-I1043 WeakPolarHBondContact CZ-O 3.14Å; F617-L1044 HydrophobicContact CD2-CD2 4.44Å; F617-L1044 HydrophobicContact CE2-CD2 3.89Å; F617-M1077 HydrophobicContact CB-CE 4.06Å; F617-L1084 HydrophobicContact CD2-CD1 4.49Å
618	M	80	Confident	83.7	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.01	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-72	-16.8	-164.7	-58.3	-177	61.7	0	0	114.6	I612 N615 H620 L621 I629 V679 F711	I612-M618 HydrophobicContact CD1-CE 4.09Å; I612-M618 HydrophobicContact CG1-CE 3.85Å; I612-M618 HydrophobicContact CG1-SD 4.49Å; I612-M618 HydrophobicContact CG2-CB 3.91Å; I612-M618 HydrophobicContact CG2-CE 4.06Å; I612-M618 CarbonylContact O-C 3.51Å; N615-M618 HydrophobicContact CB-CB 4.24Å; N615-M618 PolarHBondContact O-N 3.2Å; N615-M618 PolarHBondContact OD1-N 2.86Å; M618-H620 PolarHBondContact O-N 3.23Å; M618-H620 VanDerWaalsContact O-N 3.09Å; M618-L621 HydrophobicContact CB-CD1 4.23Å; M618-L621 HydrophobicContact CE-CD1 4.28Å; M618-L621 WeakPolarHBondContact O-CB 3.47Å; M618-L621 VanDerWaalsContact O-CG 3.3Å; M618-L621 WeakPolarHBondContact O-CG 3.33Å; M618-L621 PolarHBondContact O-N 3.1Å; M618-L621 VanDerWaalsContact O-N 3.16Å; M618-I629 HydrophobicContact CE-CD1 3.97Å; M618-V679 HydrophobicContact SD-CG1 3.9Å; M618-F711 HydrophobicContact CE-CE2 3.99Å
619	K	81.4	Confident	83.5	Confident	86 Å²	86	55 Å²	55	37%	0.374	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-60.1	-16.1	173.6	70.1	-171.1	175.3	-168.5	0	114.8	I612 L613 N615 D616 F617	I612-K619 PolarHBondContact O-N 3.27Å; L613-K619 VanDerWaalsContact O-CB 3.29Å; L613-K619 WeakPolarHBondContact O-CB 3.5Å; N615-K619 WeakPolarHBondContact O-CB 3.49Å; N615-K619 WeakPolarHBondContact O-CD 3.22Å; N615-K619 VanDerWaalsContact O-CG 3.3Å; N615-K619 WeakPolarHBondContact O-CG 3.49Å; N615-K619 PolarHBondContact O-N 3.02Å; N615-K619 VanDerWaalsContact O-N 3.12Å; D616-K619 VanDerWaalsContact O-CE 3.28Å; D616-K619 WeakPolarHBondContact O-CE 3.36Å; D616-K619 IonicContact OD1-NZ 2.66Å; D616-K619 PolarHBondContact OD1-NZ 2.9Å; F617-K619 VanDerWaalsContact C-N 3.29Å; F617-K619 PolarHBondContact O-N 3.43Å
620	H	73.1	Confident	83.5	Confident	76 Å²	76	52.9 Å²	52.9	35%	0.352	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-88.7	0.3	179.4	-56.6	106.9	0	0	0	114.4	D616 F617 M618 L1044	D616-H620 PolarHBondContact O-CE1 2.88Å; D616-H620 PolarHBondContact O-ND1 2.81Å; F617-H620 PolarHBondContact O-N 2.94Å; F617-H620 PolarHBondContact O-ND1 2.89Å; M618-H620 PolarHBondContact O-N 3.23Å; M618-H620 VanDerWaalsContact O-N 3.09Å; H620-L1044 HydrophobicContact CB-CD1 4.48Å; H620-L1044 HydrophobicContact CB-CD2 3.59Å
621	L	77.1	Confident	83.3	Confident	12 Å²	12	49.3 Å²	49.3	6%	0.063	24%	0.238	C	C	.	.	S	Bend	trans	-80	152.9	174.9	-59.2	-179.5	0	0	0	111.2	M618 Q625 I626 I629 F711 M715	M618-L621 HydrophobicContact CB-CD1 4.23Å; M618-L621 HydrophobicContact CE-CD1 4.28Å; M618-L621 WeakPolarHBondContact O-CB 3.47Å; M618-L621 VanDerWaalsContact O-CG 3.3Å; M618-L621 WeakPolarHBondContact O-CG 3.33Å; M618-L621 PolarHBondContact O-N 3.1Å; M618-L621 VanDerWaalsContact O-N 3.16Å; L621-Q625 HydrophobicContact CB-CB 4.21Å; L621-I626 HydrophobicContact CB-CD1 4.39Å; L621-I626 HydrophobicContact CB-CG1 3.94Å; L621-I629 HydrophobicContact CD1-CD1 3.67Å; L621-F711 HydrophobicContact CD1-CE2 4.11Å; L621-F711 HydrophobicContact CD1-CZ 4.09Å; L621-M715 HydrophobicContact CD1-CE 4.14Å; L621-M715 HydrophobicContact CD1-SD 4.24Å; L621-M715 HydrophobicContact CD2-CE 4.47Å; L621-M715 HydrophobicContact CD2-SD 3.56Å; L621-M715 VanDerWaalsContact CD2-SD 3.56Å
622	D	75.3	Confident	83.2	Confident	46 Å²	46	49.5 Å²	49.5	25%	0.246	24%	0.24	C	C	.	.			trans	-78.5	161.2	179.2	83.8	47	0	0	0	113.4	R624 Q625 I626	D622-R624 VanDerWaalsContact C-N 3.25Å; D622-R624 PolarHBondContact O-N 3.04Å; D622-R624 VanDerWaalsContact OD1-CA 3.3Å; D622-R624 WeakPolarHBondContact OD1-CA 3.29Å; D622-R624 VanDerWaalsContact OD1-CB 3.26Å; D622-R624 WeakPolarHBondContact OD1-CB 3.49Å; D622-R624 PolarHBondContact OD1-N 2.63Å; D622-Q625 WeakPolarHBondContact O-CA 3.45Å; D622-Q625 WeakPolarHBondContact O-CB 3.48Å; D622-Q625 PolarHBondContact O-N 3.32Å; D622-Q625 PolarHBondContact OD1-N 2.86Å; D622-I626 WeakPolarHBondContact O-CG1 3.34Å; D622-I626 PolarHBondContact O-N 3.01Å
623	K	81	Confident	83.2	Confident	192 Å²	192	49.5 Å²	49.5	84%	0.835	24%	0.24	S	C	*	.	H	α-helix	trans	-61	-29.6	-176.6	-65.5	-178.2	-179.8	177.2	0	113.3	S627	K623-S627 WeakPolarHBondContact O-CB 3.2Å; K623-S627 PolarHBondContact O-N 2.87Å; K623-S627 VanDerWaalsContact O-N 3.11Å
624	R	80.5	Confident	83.3	Confident	149 Å²	149	48.5 Å²	48.5	56%	0.562	24%	0.239	S	C	*	.	H	α-helix	trans	-72.5	-42.4	174.2	-60.6	-179.6	176.2	178.9	-0.4	110	D622 S627 K628 E725	D622-R624 VanDerWaalsContact C-N 3.25Å; D622-R624 PolarHBondContact O-N 3.04Å; D622-R624 VanDerWaalsContact OD1-CA 3.3Å; D622-R624 WeakPolarHBondContact OD1-CA 3.29Å; D622-R624 VanDerWaalsContact OD1-CB 3.26Å; D622-R624 WeakPolarHBondContact OD1-CB 3.49Å; D622-R624 PolarHBondContact OD1-N 2.63Å; R624-S627 PolarHBondContact O-N 2.89Å; R624-K628 WeakPolarHBondContact O-CB 3.49Å; R624-K628 WeakPolarHBondContact O-CG 3.26Å; R624-K628 PolarHBondContact O-N 3.26Å; R624-E725 IonicContact CZ-OE2 3.14Å; R624-E725 IonicContact NH1-OE2 2.95Å; R624-E725 PolarHBondContact NH1-OE2 2.87Å; R624-E725 IonicContact NH2-OE2 2.67Å
625	Q	84.4	Confident	83.6	Confident	10 Å²	10	47.2 Å²	47.2	5%	0.047	24%	0.236	C	C	.	.	H	α-helix	trans	-59.3	-50.1	174.5	-73.6	176	-27.9	0	0	112.2	L621 D622 S627 K628 I629 M715 T718	L621-Q625 HydrophobicContact CB-CB 4.21Å; D622-Q625 WeakPolarHBondContact O-CA 3.45Å; D622-Q625 WeakPolarHBondContact O-CB 3.48Å; D622-Q625 PolarHBondContact O-N 3.32Å; D622-Q625 PolarHBondContact OD1-N 2.86Å; Q625-S627 PolarHBondContact O-N 2.93Å; Q625-K628 WeakPolarHBondContact O-CB 3.36Å; Q625-K628 PolarHBondContact O-N 3.43Å; Q625-I629 WeakPolarHBondContact O-CG1 3.36Å; Q625-I629 PolarHBondContact O-N 2.74Å; Q625-M715 HydrophobicContact CB-CE 4.18Å; Q625-M715 HydrophobicContact CG-CE 4.34Å; Q625-T718 HydrophobicContact CG-CG2 3.85Å; Q625-T718 WeakPolarHBondContact CG-OG1 3.33Å; Q625-T718 PolarHBondContact NE2-OG1 3.13Å
626	I	88.4	Confident	83.8	Confident	10 Å²	10	49.6 Å²	49.6	5%	0.051	25%	0.248	C	C	.	.	H	α-helix	trans	-60.7	-46.9	178.3	-63.1	173	0	0	0	110.3	T609 I612 L613 L621 D622 K628 I629 V630	T609-I626 HydrophobicContact CG2-CG2 4.09Å; I612-I626 HydrophobicContact CB-CG2 4.42Å; I612-I626 HydrophobicContact CD1-CG2 4.41Å; I612-I626 HydrophobicContact CG2-CB 4.45Å; I612-I626 HydrophobicContact CG2-CD1 4.04Å; I612-I626 HydrophobicContact CG2-CG1 3.85Å; I612-I626 HydrophobicContact CG2-CG2 3.88Å; L613-I626 HydrophobicContact CD2-CD1 3.77Å; L613-I626 HydrophobicContact CG-CD1 4.47Å; L621-I626 HydrophobicContact CB-CD1 4.39Å; L621-I626 HydrophobicContact CB-CG1 3.94Å; D622-I626 WeakPolarHBondContact O-CG1 3.34Å; D622-I626 PolarHBondContact O-N 3.01Å; I626-K628 VanDerWaalsContact C-N 3.28Å; I626-K628 PolarHBondContact O-N 2.96Å; I626-I629 PolarHBondContact O-N 2.97Å; I626-V630 HydrophobicContact CG2-CG2 4.27Å; I626-V630 VanDerWaalsContact O-CG2 3.27Å; I626-V630 WeakPolarHBondContact O-CG2 3.42Å; I626-V630 PolarHBondContact O-N 2.83Å
627	S	88.6	Confident	84.6	Confident	68 Å²	68	48.4 Å²	48.4	48%	0.476	26%	0.258	S	S	.	.	H	α-helix	trans	-59.6	-35.6	176.7	-176	0	0	0	0	113.3	K623 R624 Q625 D631	K623-S627 WeakPolarHBondContact O-CB 3.2Å; K623-S627 PolarHBondContact O-N 2.87Å; K623-S627 VanDerWaalsContact O-N 3.11Å; R624-S627 PolarHBondContact O-N 2.89Å; Q625-S627 PolarHBondContact O-N 2.93Å; S627-D631 WeakPolarHBondContact O-CB 3.33Å; S627-D631 PolarHBondContact O-N 3.35Å
628	K	87.2	Confident	85.6	Confident	57 Å²	57	49.1 Å²	49.1	25%	0.248	26%	0.263	C	S	.	.	H	α-helix	trans	-69.3	-42.2	176.3	-73.4	-86.6	-175.5	179.6	0	112	R624 Q625 I626 D631 S632 I714	R624-K628 WeakPolarHBondContact O-CB 3.49Å; R624-K628 WeakPolarHBondContact O-CG 3.26Å; R624-K628 PolarHBondContact O-N 3.26Å; Q625-K628 WeakPolarHBondContact O-CB 3.36Å; Q625-K628 PolarHBondContact O-N 3.43Å; I626-K628 VanDerWaalsContact C-N 3.28Å; I626-K628 PolarHBondContact O-N 2.96Å; K628-D631 PolarHBondContact O-N 2.91Å; K628-S632 WeakPolarHBondContact O-CB 3.4Å; K628-S632 PolarHBondContact O-N 2.82Å; K628-S632 PolarHBondContact O-OG 2.95Å; K628-I714 HydrophobicContact CB-CB 4.45Å; K628-I714 HydrophobicContact CB-CD1 4.25Å; K628-I714 HydrophobicContact CB-CG1 4.25Å; K628-I714 HydrophobicContact CB-CG2 3.38Å; K628-I714 HydrophobicContact CG-CG2 4.16Å
629	I	89	Confident	86.1	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-59.6	-53	174.1	-66.4	160.2	0	0	0	109.2	I612 M618 L621 Q625 I626 D631 S632 M633 I706 F711 I714 M715	I612-I629 HydrophobicContact CD1-CB 4.43Å; I612-I629 HydrophobicContact CD1-CG2 3.81Å; M618-I629 HydrophobicContact CE-CD1 3.97Å; L621-I629 HydrophobicContact CD1-CD1 3.67Å; Q625-I629 WeakPolarHBondContact O-CG1 3.36Å; Q625-I629 PolarHBondContact O-N 2.74Å; I626-I629 PolarHBondContact O-N 2.97Å; I629-D631 VanDerWaalsContact C-N 3.34Å; I629-D631 PolarHBondContact O-N 2.74Å; I629-S632 CarbonylContact O-C 3.58Å; I629-S632 PolarHBondContact O-N 2.8Å; I629-M633 HydrophobicContact CG2-CG 4.15Å; I629-M633 HydrophobicContact CG2-SD 4.33Å; I629-M633 WeakPolarHBondContact O-CG 3.42Å; I629-M633 PolarHBondContact O-N 3.24Å; I629-I706 HydrophobicContact CB-CD1 4.46Å; I629-I706 HydrophobicContact CG1-CD1 4.46Å; I629-I706 HydrophobicContact CG2-CD1 4.05Å; I629-I706 HydrophobicContact CG2-CG2 4.49Å; I629-F711 HydrophobicContact CD1-CD2 4.02Å; I629-F711 HydrophobicContact CD1-CE2 3.65Å; I629-F711 HydrophobicContact CG1-CD2 4.22Å; I629-F711 HydrophobicContact CG1-CE2 4.35Å; I629-I714 HydrophobicContact CG1-CD1 4.24Å; I629-I714 HydrophobicContact CG1-CG2 4.41Å; I629-M715 HydrophobicContact CD1-CE 3.76Å; I629-M715 HydrophobicContact CG1-CE 4.22Å
630	V	91.6	Very high	86.6	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.024	30%	0.297	C	S	.	.	H	α-helix	trans	-57.2	-42.9	-179.6	174.3	0	0	0	0	112	K600 K605 I608 I612 I626 S632	K600-V630 WeakPolarHBondContact CD-O 3.23Å; K600-V630 WeakPolarHBondContact CE-O 3.27Å; K600-V630 PolarHBondContact NZ-O 2.87Å; K605-V630 HydrophobicContact CB-CG1 3.91Å; K605-V630 HydrophobicContact CD-CG1 4.23Å; K605-V630 HydrophobicContact CG-CG1 3.9Å; I608-V630 HydrophobicContact CB-CG2 4.32Å; I608-V630 HydrophobicContact CG2-CG2 3.82Å; I612-V630 HydrophobicContact CD1-CG2 4.09Å; I626-V630 HydrophobicContact CG2-CG2 4.27Å; I626-V630 VanDerWaalsContact O-CG2 3.27Å; I626-V630 WeakPolarHBondContact O-CG2 3.42Å; I626-V630 PolarHBondContact O-N 2.83Å; V630-S632 VanDerWaalsContact C-N 3.31Å; V630-S632 PolarHBondContact O-N 2.75Å
631	D	89.7	Confident	87.4	Confident	26 Å²	26	56.4 Å²	56.4	14%	0.139	31%	0.305	C	S	.	.	H	α-helix	trans	-66.2	-31.8	175.1	-92	-3.3	0	0	0	112.7	K597 I598 K600 K605 S627 K628 I629	K597-D631 WeakPolarHBondContact CE-OD2 3.45Å; K597-D631 HydrophobicContact CG-CB 4.26Å; K597-D631 IonicContact NZ-OD1 3.22Å; K597-D631 IonicContact NZ-OD2 2.71Å; K597-D631 PolarHBondContact NZ-OD2 3.35Å; I598-D631 PolarHBondContact N-O 3.42Å; I598-D631 VanDerWaalsContact N-O 3.12Å; K600-D631 PolarHBondContact NZ-O 2.86Å; K605-D631 IonicContact NZ-OD1 3.25Å; K605-D631 PolarHBondContact NZ-OD1 3.42Å; S627-D631 WeakPolarHBondContact O-CB 3.33Å; S627-D631 PolarHBondContact O-N 3.35Å; K628-D631 PolarHBondContact O-N 2.91Å; I629-D631 VanDerWaalsContact C-N 3.34Å; I629-D631 PolarHBondContact O-N 2.74Å
632	S	89.3	Confident	88.2	Confident	6 Å²	6	57.6 Å²	57.6	4%	0.042	31%	0.314	C	S	.	.	H	α-helix	trans	-92.4	-10.8	-174.1	-47.8	0	0	0	0	115.3	K628 I629 V630	K628-S632 WeakPolarHBondContact O-CB 3.4Å; K628-S632 PolarHBondContact O-N 2.82Å; K628-S632 PolarHBondContact O-OG 2.95Å; I629-S632 CarbonylContact O-C 3.58Å; I629-S632 PolarHBondContact O-N 2.8Å; V630-S632 VanDerWaalsContact C-N 3.31Å; V630-S632 PolarHBondContact O-N 2.75Å
633	M	90.9	Very high	88.9	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-66.9	140.1	178.6	-51.3	-160.2	79	0	0	112.1	K600 I608 I629 V654 V656 W704 A705 I706	K600-M633 WeakPolarHBondContact CE-O 3.47Å; K600-M633 PolarHBondContact NZ-O 3.38Å; I608-M633 HydrophobicContact CG2-SD 3.48Å; I608-M633 WeakPolarHBondContact CG2-SD 3.36Å; I629-M633 HydrophobicContact CG2-CG 4.15Å; I629-M633 HydrophobicContact CG2-SD 4.33Å; I629-M633 WeakPolarHBondContact O-CG 3.42Å; I629-M633 PolarHBondContact O-N 3.24Å; M633-V654 HydrophobicContact CE-CG1 4.42Å; M633-V656 HydrophobicContact CE-CG2 4.01Å; M633-V656 HydrophobicContact SD-CG2 4.13Å; M633-W704 HydrophobicContact CB-CB 4.02Å; M633-W704 HydrophobicContact CB-CE3 4.21Å; M633-W704 HydrophobicContact CE-CB 4.07Å; M633-W704 WeakPolarHBondContact CE-O 3.3Å; M633-W704 HydrophobicContact SD-CB 3.94Å; M633-A705 CarbonylContact C-O 3.52Å; M633-A705 VanDerWaalsContact CA-O 3.27Å; M633-A705 WeakPolarHBondContact CA-O 3.1Å; M633-I706 HydrophobicContact CE-CB 4.07Å; M633-I706 HydrophobicContact CE-CG2 3.87Å; M633-I706 HydrophobicContact CG-CB 4.32Å
634	C	89.5	Confident	89.3	Confident	56 Å²	56	52.2 Å²	52.2	38%	0.378	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	144.7	175.9	-58.1	0	0	0	0	111.4	I598 W704 A705	I598-C634 HydrophobicContact CD1-CB 3.94Å; I598-C634 WeakPolarHBondContact CD1-SG 3.28Å; C634-W704 VanDerWaalsContact C-CE3 3.45Å; C634-W704 CarbonylContact O-C 3.54Å; C634-W704 VanDerWaalsContact O-CA 3.32Å; C634-W704 WeakPolarHBondContact O-CA 3.23Å; C634-A705 PolarHBondContact N-O 2.93Å; C634-A705 PolarHBondContact O-N 3.32Å
635	P	91.9	Very high	89.8	Confident	77 Å²	77	45.4 Å²	45.4	50%	0.5	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	143.5	172.5	30.9	-31.6	0	0	0	110.4	W704	P635-W704 HydrophobicContact CB-CE3 4.18Å; P635-W704 HydrophobicContact CB-CH2 3.72Å; P635-W704 HydrophobicContact CB-CZ2 4.2Å; P635-W704 HydrophobicContact CB-CZ3 3.7Å; P635-W704 HydrophobicContact CG-CH2 4.24Å; P635-W704 HydrophobicContact CG-CZ3 4.05Å
636	L	89.8	Confident	89.9	Confident	67 Å²	67	48.9 Å²	48.9	35%	0.351	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	126.6	174.4	177.3	66	0	0	0	109.3	Y655 L703	L636-Y655 HydrophobicContact CD2-CD1 4.27Å; L636-Y655 HydrophobicContact CD2-CE1 3.76Å; L636-L703 HydrophobicContact CB-CB 4.14Å; L636-L703 HydrophobicContact CD2-CD1 4.13Å; L636-L703 HydrophobicContact CG-CD1 4.45Å; L636-L703 PolarHBondContact N-O 2.99Å; L636-L703 WeakPolarHBondContact O-CA 3.35Å; L636-L703 WeakPolarHBondContact O-CB 3.22Å; L636-L703 PolarHBondContact O-N 3.45Å
637	G	88.4	Confident	89.7	Confident	67 Å²	67	52 Å²	52	69%	0.691	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.9	170.6	0	0	0	0	0	110.3
638	C	89.6	Confident	89	Confident	18 Å²	18	49.6 Å²	49.6	12%	0.122	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	122.4	174.5	-76.8	0	0	0	0	109.8	I644 C701 L703	C638-I644 HydrophobicContact CB-CG1 4.16Å; C638-C701 HydrophobicContact CB-CB 4.37Å; C638-C701 PolarHBondContact N-O 2.88Å; C638-C701 PolarHBondContact O-N 3.46Å; C638-L703 HydrophobicContact CB-CD1 4.03Å; C638-L703 VanDerWaalsContact SG-CD1 3.53Å
639	A	91.5	Very high	88.5	Confident	60 Å²	60	51 Å²	51	50%	0.496	29%	0.285	S	S	.	.			trans	-70.2	155.2	178.8	0	0	0	0	0	111.8	S642 A697 D700	A639-S642 WeakPolarHBondContact O-CB 3.31Å; A639-S642 PolarHBondContact O-N 2.96Å; A639-S642 PolarHBondContact O-OG 3.07Å; A639-A697 WeakPolarHBondContact O-CB 3.28Å; A639-D700 VanDerWaalsContact CA-OD1 3.3Å; A639-D700 WeakPolarHBondContact CA-OD1 3.29Å
640	R	92.4	Very high	87.5	Confident	160 Å²	160	55.7 Å²	55.7	60%	0.604	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	138.5	173.6	178.9	159	-169.9	-129.6	-4.2	112.3	S642 I698 T699 D700	R640-S642 PolarHBondContact O-N 2.81Å; R640-I698 WeakPolarHBondContact CD-O 3.36Å; R640-I698 WeakPolarHBondContact CG-O 3.43Å; R640-I698 PolarHBondContact NE-O 3.17Å; R640-T699 WeakPolarHBondContact CA-O 3.14Å; R640-D700 PolarHBondContact N-OD1 2.9Å
641	L	89.8	Confident	86.4	Confident	98 Å²	98	55.6 Å²	55.6	51%	0.513	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	-1.5	-174.7	-55.5	170.3	0	0	0	116.2	A697	L641-A697 WeakPolarHBondContact CA-O 3.37Å; L641-A697 PolarHBondContact N-O 3.37Å
642	S	92.5	Very high	85.8	Confident	37 Å²	37	57.1 Å²	57.1	26%	0.259	33%	0.325	S	S	.	.			trans	-67.8	147.1	174.2	66.9	0	0	0	0	112.5	A639 R640 R696 A697	A639-S642 WeakPolarHBondContact O-CB 3.31Å; A639-S642 PolarHBondContact O-N 2.96Å; A639-S642 PolarHBondContact O-OG 3.07Å; R640-S642 PolarHBondContact O-N 2.81Å; S642-R696 WeakPolarHBondContact O-CA 3.27Å; S642-R696 WeakPolarHBondContact O-CG 3.34Å; S642-A697 PolarHBondContact O-N 3.36Å
643	W	90.1	Very high	85.5	Confident	109 Å²	109	58.1 Å²	58.1	41%	0.413	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	125.9	168.8	-63.2	101.4	0	0	0	109.2	Q646 R696	W643-Q646 HydrophobicContact CB-CG 3.89Å; W643-Q646 VanDerWaalsContact CD1-NE2 3.34Å; W643-Q646 HydrophobicContact CD2-CG 4.24Å; W643-Q646 HydrophobicContact CE3-CG 4.45Å; W643-Q646 HydrophobicContact CG-CG 4.01Å; W643-R696 HydrophobicContact CD2-CB 4.33Å; W643-R696 HydrophobicContact CD2-CG 4.14Å; W643-R696 HydrophobicContact CE3-CB 3.69Å; W643-R696 HydrophobicContact CE3-CG 4.01Å; W643-R696 HydrophobicContact CH2-CB 4.41Å; W643-R696 HydrophobicContact CZ3-CB 3.73Å; W643-R696 HydrophobicContact CZ3-CG 4.22Å
644	I	91	Very high	85.3	Confident	16 Å²	16	58.2 Å²	58.2	8%	0.082	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-29.6	174.4	-53.9	162.1	0	0	0	109.4	C638 Y655 V662 F680 V695 A697 L703	C638-I644 HydrophobicContact CB-CG1 4.16Å; I644-Y655 HydrophobicContact CG2-CD1 4.38Å; I644-Y655 HydrophobicContact CG2-CD2 4.12Å; I644-Y655 HydrophobicContact CG2-CE1 4.25Å; I644-Y655 HydrophobicContact CG2-CE2 3.97Å; I644-Y655 HydrophobicContact CG2-CG 4.32Å; I644-V662 HydrophobicContact CD1-CB 4.39Å; I644-V662 HydrophobicContact CD1-CG1 3.47Å; I644-V662 VanDerWaalsContact CD1-CG1 3.47Å; I644-F680 HydrophobicContact CD1-CZ 4.28Å; I644-F680 HydrophobicContact CG2-CE2 3.88Å; I644-F680 HydrophobicContact CG2-CZ 4.08Å; I644-V695 HydrophobicContact CD1-CG1 4.44Å; I644-V695 PolarHBondContact N-O 3.37Å; I644-A697 HydrophobicContact CD1-CB 4.3Å; I644-L703 HydrophobicContact CD1-CD1 4.04Å; I644-L703 HydrophobicContact CG1-CD1 4.24Å; I644-L703 HydrophobicContact CG2-CD1 3.85Å
645	I	89.3	Confident	85.4	Confident	5 Å²	5	56.7 Å²	56.7	3%	0.026	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	140.4	177.1	-65.5	-178.8	0	0	0	107.5	Y655 F680 R691 A693 S694 V695	I645-Y655 HydrophobicContact CD1-CD2 4.14Å; I645-Y655 HydrophobicContact CD1-CE2 3.97Å; I645-Y655 HydrophobicContact CG1-CD2 4.43Å; I645-Y655 HydrophobicContact CG1-CE2 3.87Å; I645-F680 HydrophobicContact CD1-CD2 3.82Å; I645-F680 HydrophobicContact CD1-CE2 4.08Å; I645-R691 HydrophobicContact CG2-CB 3.6Å; I645-R691 HydrophobicContact CG2-CG 3.57Å; I645-A693 VanDerWaalsContact CG2-O 3.25Å; I645-A693 WeakPolarHBondContact CG2-O 3.45Å; I645-S694 CarbonylContact O-C 3.53Å; I645-S694 WeakPolarHBondContact O-CA 3.47Å; I645-V695 HydrophobicContact CB-CB 3.97Å; I645-V695 HydrophobicContact CB-CG2 4.06Å; I645-V695 HydrophobicContact CD1-CB 4.47Å; I645-V695 HydrophobicContact CD1-CG2 4.01Å; I645-V695 HydrophobicContact CG1-CB 4.39Å; I645-V695 HydrophobicContact CG1-CG2 4.4Å; I645-V695 PolarHBondContact N-O 3.45Å; I645-V695 PolarHBondContact O-N 3.33Å
646	Q	86.9	Confident	85.5	Confident	84 Å²	84	53.1 Å²	53.1	39%	0.393	30%	0.295	S	S	.	.			trans	-116.4	140.9	163.2	-53.9	-173.8	-0.8	0	0	111	W643 G648 E649 R691	W643-Q646 HydrophobicContact CB-CG 3.89Å; W643-Q646 VanDerWaalsContact CD1-NE2 3.34Å; W643-Q646 HydrophobicContact CD2-CG 4.24Å; W643-Q646 HydrophobicContact CE3-CG 4.45Å; W643-Q646 HydrophobicContact CG-CG 4.01Å; Q646-G648 PolarHBondContact O-N 3.08Å; Q646-E649 HydrophobicContact CB-CG 3.92Å; Q646-E649 PolarHBondContact N-OE2 2.95Å; Q646-E649 WeakPolarHBondContact O-CB 3.47Å; Q646-E649 WeakPolarHBondContact O-CG 3.49Å; Q646-E649 PolarHBondContact O-N 2.9Å; Q646-R691 VanDerWaalsContact O-CB 3.26Å; Q646-R691 WeakPolarHBondContact O-CB 3.28Å
647	E	84.6	Confident	85.7	Confident	74 Å²	74	49.9 Å²	49.9	35%	0.346	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	133.5	174.6	-172.4	171.1	-170.5	0	0	110.6	K666 A667 R691 S694	E647-K666 WeakPolarHBondContact OE1-CE 3.32Å; E647-K666 WeakPolarHBondContact OE1-CG 3.37Å; E647-K666 WeakPolarHBondContact OE2-CA 3.22Å; E647-K666 WeakPolarHBondContact OE2-CG 3.25Å; E647-A667 PolarHBondContact OE2-N 2.85Å; E647-R691 WeakPolarHBondContact CA-O 3.27Å; E647-S694 PolarHBondContact N-OG 3.19Å
648	G	73.7	Confident	86	Confident	18 Å²	18	47.5 Å²	47.5	19%	0.186	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	-15.1	-176.4	0	0	0	0	0	115.8	Q646 T690 R691	Q646-G648 PolarHBondContact O-N 3.08Å; G648-T690 WeakPolarHBondContact O-CB 3.49Å; G648-T690 WeakPolarHBondContact O-CG2 3.4Å; G648-R691 PolarHBondContact N-O 3.14Å
649	E	77.8	Confident	86.2	Confident	87 Å²	87	51.5 Å²	51.5	41%	0.407	27%	0.269	S	S	.	.	S	Bend	trans	-64.7	148.9	172.9	-70.6	177.9	147.8	0	0	111.9	Q646 G651 T690 R691	Q646-E649 HydrophobicContact CB-CG 3.92Å; Q646-E649 PolarHBondContact N-OE2 2.95Å; Q646-E649 WeakPolarHBondContact O-CB 3.47Å; Q646-E649 WeakPolarHBondContact O-CG 3.49Å; Q646-E649 PolarHBondContact O-N 2.9Å; E649-G651 PolarHBondContact O-N 3.2Å; E649-G651 VanDerWaalsContact O-N 3.13Å; E649-T690 CarbonylContact O-C 3.47Å; E649-T690 WeakPolarHBondContact O-CA 3.5Å; E649-T690 WeakPolarHBondContact O-CB 3.16Å; E649-R691 HydrophobicContact CB-CG 4.06Å; E649-R691 WeakPolarHBondContact O-CG 3.49Å; E649-R691 PolarHBondContact O-N 2.99Å
650	V	68	Low	86.4	Confident	100 Å²	100	48.8 Å²	48.8	61%	0.606	25%	0.247	S	C	*	.	B	Isolated β-bridge	trans	-71.9	106.6	167.1	-179.2	0	0	0	0	108.7
651	G	68.9	Low	86.5	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.01	24%	0.241	C	C	.	.			trans	-83.7	138.5	180	0	0	0	0	0	112.2	E649 A684 R708	E649-G651 PolarHBondContact O-N 3.2Å; E649-G651 VanDerWaalsContact O-N 3.13Å; G651-A684 VanDerWaalsContact O-O 3.07Å; G651-R708 PolarHBondContact O-NH2 3.18Å
652	S	75.1	Confident	86.8	Confident	58 Å²	58	42.1 Å²	42.1	41%	0.406	22%	0.216	S	C	.	.			trans	-135.2	5.2	177.8	58	0	0	0	0	113.9	D707 R708	S652-D707 CarbonylContact O-C 3.45Å; S652-D707 WeakPolarHBondContact O-CA 3.22Å; S652-R708 PolarHBondContact O-N 2.66Å
653	V	82.9	Confident	86.9	Confident	27 Å²	27	40.9 Å²	40.9	16%	0.164	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	134.6	-169	-178.4	0	0	0	0	111.8	Y655 R691 A705 I706	V653-Y655 HydrophobicContact CB-CE1 4.34Å; V653-Y655 HydrophobicContact CB-CE2 4.34Å; V653-Y655 HydrophobicContact CG1-CD1 4.04Å; V653-Y655 HydrophobicContact CG1-CE1 3.49Å; V653-Y655 VanDerWaalsContact CG1-CE1 3.49Å; V653-Y655 HydrophobicContact CG1-CE2 4.18Å; V653-R691 PolarHBondContact O-NH1 3.21Å; V653-R691 PolarHBondContact O-NH2 3.09Å; V653-A705 HydrophobicContact CG1-CB 3.81Å; V653-I706 CarbonylContact C-O 3.46Å; V653-I706 WeakPolarHBondContact CA-O 3.38Å; V653-I706 WeakPolarHBondContact CG1-O 3.31Å
654	V	88.3	Confident	87	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	140.3	165.6	153.6	0	0	0	0	109.8	M633 V679 E682 I685 A705 I706	M633-V654 HydrophobicContact CE-CG1 4.42Å; V654-V679 HydrophobicContact CG1-CG1 4.02Å; V654-E682 HydrophobicContact CG2-CB 4.09Å; V654-I685 HydrophobicContact CB-CD1 3.72Å; V654-I685 HydrophobicContact CB-CG1 4.44Å; V654-I685 HydrophobicContact CG2-CB 4.16Å; V654-I685 HydrophobicContact CG2-CD1 3.56Å; V654-I685 HydrophobicContact CG2-CG1 3.85Å; V654-A705 WeakPolarHBondContact O-CA 3.4Å; V654-I706 HydrophobicContact CB-CG2 3.89Å; V654-I706 HydrophobicContact CG1-CG2 4.06Å; V654-I706 PolarHBondContact N-O 2.8Å; V654-I706 PolarHBondContact O-N 3.49Å
655	Y	91.5	Very high	86.9	Confident	25 Å²	25	37.1 Å²	37.1	10%	0.098	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	148.5	174.8	-52.8	-79.3	0	0	0	112.1	L636 I644 I645 V653 V679 F680 L703 W704 A705	L636-Y655 HydrophobicContact CD2-CD1 4.27Å; L636-Y655 HydrophobicContact CD2-CE1 3.76Å; I644-Y655 HydrophobicContact CG2-CD1 4.38Å; I644-Y655 HydrophobicContact CG2-CD2 4.12Å; I644-Y655 HydrophobicContact CG2-CE1 4.25Å; I644-Y655 HydrophobicContact CG2-CE2 3.97Å; I644-Y655 HydrophobicContact CG2-CG 4.32Å; I645-Y655 HydrophobicContact CD1-CD2 4.14Å; I645-Y655 HydrophobicContact CD1-CE2 3.97Å; I645-Y655 HydrophobicContact CG1-CD2 4.43Å; I645-Y655 HydrophobicContact CG1-CE2 3.87Å; V653-Y655 HydrophobicContact CB-CE1 4.34Å; V653-Y655 HydrophobicContact CB-CE2 4.34Å; V653-Y655 HydrophobicContact CG1-CD1 4.04Å; V653-Y655 HydrophobicContact CG1-CE1 3.49Å; V653-Y655 VanDerWaalsContact CG1-CE1 3.49Å; V653-Y655 HydrophobicContact CG1-CE2 4.18Å; Y655-V679 WeakPolarHBondContact O-CA 3.48Å; Y655-F680 AromaticContact CD2-CD2 3.91Å; Y655-F680 HydrophobicContact CD2-CD2 3.91Å; Y655-F680 AromaticContact CD2-CE2 3.51Å; Y655-F680 HydrophobicContact CD2-CE2 3.51Å; Y655-F680 HydrophobicContact CD2-CZ 4.16Å; Y655-F680 HydrophobicContact CE2-CE2 4.4Å; Y655-F680 HydrophobicContact CG-CD2 4.47Å; Y655-F680 AromaticContact CG-CE2 3.9Å; Y655-F680 HydrophobicContact CG-CE2 3.9Å; Y655-F680 HydrophobicContact CG-CZ 4.07Å; Y655-F680 PolarHBondContact N-O 2.72Å; Y655-F680 PolarHBondContact O-N 3.4Å; Y655-L703 HydrophobicContact CD1-CD1 4.47Å; Y655-W704 CarbonylContact C-O 3.59Å; Y655-W704 VanDerWaalsContact CA-O 3.25Å; Y655-W704 WeakPolarHBondContact CA-O 3.38Å; Y655-A705 HydrophobicContact CD1-CB 4.04Å; Y655-A705 HydrophobicContact CE1-CB 4.12Å
656	V	93.6	Very high	86.6	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.1	164.6	178.1	0	0	0	0	108.9	L607 I608 A611 M633 T678 V679 L703 W704	L607-V656 HydrophobicContact CD2-CG1 4.36Å; I608-V656 HydrophobicContact CG1-CG1 4.35Å; I608-V656 HydrophobicContact CG2-CG2 4.34Å; A611-V656 HydrophobicContact CB-CG1 3.59Å; M633-V656 HydrophobicContact CE-CG2 4.01Å; M633-V656 HydrophobicContact SD-CG2 4.13Å; V656-T678 WeakPolarHBondContact CA-O 3.07Å; V656-V679 HydrophobicContact CG2-CG1 4.3Å; V656-V679 HydrophobicContact CG2-CG2 4.09Å; V656-L703 CarbonylContact O-C 3.49Å; V656-L703 WeakPolarHBondContact O-CA 3.3Å; V656-W704 HydrophobicContact CB-CB 4.44Å; V656-W704 PolarHBondContact N-O 2.95Å; V656-W704 PolarHBondContact O-N 3.42Å
657	L	94.1	Very high	86.4	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	113.5	-179	-168.9	52.6	0	0	0	110	D659 G660 V662 P676 G677 T678 F680 C701 L703	L657-D659 WeakPolarHBondContact CD1-O 3.24Å; L657-G660 WeakPolarHBondContact CD2-O 3.45Å; L657-V662 HydrophobicContact CD1-CG1 4.44Å; L657-V662 HydrophobicContact CD2-CG1 4.05Å; L657-V662 HydrophobicContact CD2-CG2 4.05Å; L657-P676 CarbonylContact O-C 3.53Å; L657-P676 WeakPolarHBondContact O-CA 3.48Å; L657-G677 PolarHBondContact O-N 2.65Å; L657-T678 PolarHBondContact N-O 2.86Å; L657-F680 HydrophobicContact CB-CE1 4.38Å; L657-C701 HydrophobicContact CD1-CB 4.06Å; L657-L703 HydrophobicContact CB-CD2 4.36Å; L657-L703 HydrophobicContact CD1-CD2 3.62Å; L657-L703 HydrophobicContact CD1-CG 4.46Å
658	E	94.5	Very high	86.1	Confident	17 Å²	17	41.5 Å²	41.5	8%	0.079	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-38.5	176.1	-170.7	-174.3	-175.6	0	0	111.6	T604 L607 K702 W704	T604-E658 WeakPolarHBondContact CB-OE1 3.43Å; T604-E658 HydrophobicContact CG2-CG 4.44Å; T604-E658 VanDerWaalsContact CG2-OE1 3.24Å; T604-E658 WeakPolarHBondContact CG2-OE1 3.46Å; T604-E658 PolarHBondContact OG1-OE1 2.99Å; L607-E658 HydrophobicContact CD1-CG 4.13Å; L607-E658 HydrophobicContact CD2-CB 4.37Å; L607-E658 HydrophobicContact CD2-CG 4.36Å; E658-K702 HydrophobicContact CB-CB 4.5Å; E658-K702 HydrophobicContact CB-CG 4.49Å; E658-K702 HydrophobicContact CG-CD 4.49Å; E658-K702 PolarHBondContact N-O 2.86Å; E658-K702 IonicContact OE1-NZ 2.77Å; E658-K702 PolarHBondContact OE1-NZ 3.31Å; E658-K702 WeakPolarHBondContact OE2-CD 3.2Å; E658-K702 WeakPolarHBondContact OE2-CE 3.33Å; E658-K702 IonicContact OE2-NZ 2.8Å; E658-K702 PolarHBondContact OE2-NZ 2.69Å; E658-W704 PolarHBondContact OE2-NE1 2.86Å
659	D	94.4	Very high	86.6	Confident	101 Å²	101	47.3 Å²	47.3	54%	0.54	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	153.5	177.8	-170.3	20.5	0	0	0	111	L657 C701 K702	L657-D659 WeakPolarHBondContact CD1-O 3.24Å; D659-C701 CarbonylContact O-C 3.59Å; D659-C701 WeakPolarHBondContact O-CA 3.41Å; D659-K702 HydrophobicContact CB-CB 3.96Å; D659-K702 PolarHBondContact N-O 3.44Å; D659-K702 PolarHBondContact O-N 3.07Å
660	G	94.6	Very high	87	Confident	4 Å²	4	49 Å²	49	4%	0.041	27%	0.271	C	S	.	.	S	Bend	trans	88.6	180	-175.1	0	0	0	0	0	114.9	L657 P676 T699	L657-G660 WeakPolarHBondContact CD2-O 3.45Å; G660-P676 WeakPolarHBondContact O-CD 3.39Å; G660-T699 WeakPolarHBondContact CA-OG1 2.95Å
661	Y	95.6	Very high	87.7	Confident	118 Å²	118	48.8 Å²	48.8	46%	0.463	27%	0.266	S	S	.	.			trans	-129.2	142.1	-177.9	-69.7	-94.3	0	0	0	111.7	I698 T699 C701	Y661-I698 WeakPolarHBondContact O-CB 3.37Å; Y661-I698 PolarHBondContact O-N 3.4Å; Y661-T699 HydrophobicContact CD2-CG2 4.4Å; Y661-T699 PolarHBondContact N-OG1 3.06Å; Y661-T699 PolarHBondContact O-N 2.77Å; Y661-C701 PolarHBondContact O-SG 3.22Å; Y661-C701 VanDerWaalsContact O-SG 3.4Å
662	V	95.5	Very high	88.7	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.2	178.3	-54.2	0	0	0	0	111.1	I644 L657 E673 M674 F680 V695 R696	I644-V662 HydrophobicContact CD1-CB 4.39Å; I644-V662 HydrophobicContact CD1-CG1 3.47Å; I644-V662 VanDerWaalsContact CD1-CG1 3.47Å; L657-V662 HydrophobicContact CD1-CG1 4.44Å; L657-V662 HydrophobicContact CD2-CG1 4.05Å; L657-V662 HydrophobicContact CD2-CG2 4.05Å; V662-E673 CarbonylContact O-C 3.6Å; V662-E673 WeakPolarHBondContact O-CA 3.34Å; V662-M674 HydrophobicContact CG2-CB 3.83Å; V662-M674 HydrophobicContact CG2-CE 3.55Å; V662-M674 PolarHBondContact N-O 2.82Å; V662-M674 PolarHBondContact O-N 3.02Å; V662-F680 HydrophobicContact CG2-CE1 4.41Å; V662-V695 HydrophobicContact CB-CG1 3.79Å; V662-V695 HydrophobicContact CG1-CG1 4.46Å; V662-V695 HydrophobicContact CG2-CG1 3.72Å; V662-R696 CarbonylContact C-O 3.6Å; V662-R696 VanDerWaalsContact CA-O 3.24Å; V662-R696 WeakPolarHBondContact CA-O 3.3Å; V662-R696 WeakPolarHBondContact CB-O 3.42Å
663	E	94.3	Very high	89.4	Confident	11 Å²	11	57.7 Å²	57.7	5%	0.051	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	143.4	170.4	55.6	177.9	-154.5	0	0	111	Q665 R670 V695 R696 I698	E663-Q665 PolarHBondContact OE1-NE2 2.62Å; E663-R670 IonicContact OE2-CZ 2.79Å; E663-R670 IonicContact OE2-NE 3.3Å; E663-R670 PolarHBondContact OE2-NE 3.32Å; E663-R670 IonicContact OE2-NH2 3.34Å; E663-R670 PolarHBondContact OE2-NH2 3.13Å; E663-V695 VanDerWaalsContact O-CA 3.3Å; E663-V695 WeakPolarHBondContact O-CA 3.5Å; E663-R696 HydrophobicContact CG-CB 3.98Å; E663-R696 PolarHBondContact N-O 3.2Å; E663-R696 PolarHBondContact O-N 3.22Å; E663-R696 IonicContact OE1-CZ 3.57Å; E663-R696 IonicContact OE1-NE 2.72Å; E663-R696 PolarHBondContact OE1-NE 2.79Å; E663-R696 IonicContact OE1-NH2 3.43Å; E663-R696 PolarHBondContact OE1-NH2 3.14Å; E663-I698 HydrophobicContact CB-CD1 3.99Å; E663-I698 HydrophobicContact CB-CG1 4.12Å; E663-I698 HydrophobicContact CG-CD1 4.47Å; E663-I698 HydrophobicContact CG-CG1 4.06Å
664	V	92.1	Very high	89.8	Confident	11 Å²	11	57 Å²	57	7%	0.067	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.9	172.6	-173.3	0	0	0	0	108.5	L671 R672 M674 A693 S694 V695	V664-L671 HydrophobicContact CG1-CB 4.49Å; V664-L671 HydrophobicContact CG1-CD1 4.39Å; V664-L671 PolarHBondContact O-N 3.38Å; V664-R672 HydrophobicContact CB-CG 3.95Å; V664-R672 HydrophobicContact CG2-CG 3.79Å; V664-R672 PolarHBondContact N-O 2.74Å; V664-M674 HydrophobicContact CG2-CE 3.5Å; V664-M674 VanDerWaalsContact CG2-CE 3.5Å; V664-M674 HydrophobicContact CG2-CG 4.06Å; V664-M674 HydrophobicContact CG2-SD 3.69Å; V664-A693 HydrophobicContact CG1-CB 3.78Å; V664-S694 WeakPolarHBondContact CA-O 3.46Å; V664-V695 HydrophobicContact CG2-CG2 4.33Å
665	Q	89.2	Confident	90	Very high	35 Å²	35	57.5 Å²	57.5	16%	0.164	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	147.4	176.1	-58.5	-176.8	1.5	0	0	110.7	E663 E669 A693 S694	E663-Q665 PolarHBondContact OE1-NE2 2.62Å; Q665-E669 CarbonylContact C-O 3.54Å; Q665-E669 WeakPolarHBondContact CA-O 3.36Å; Q665-A693 CarbonylContact O-C 3.53Å; Q665-A693 WeakPolarHBondContact O-CA 3.14Å; Q665-A693 WeakPolarHBondContact O-CB 3.43Å; Q665-S694 PolarHBondContact N-O 3.5Å; Q665-S694 PolarHBondContact O-N 2.68Å
666	K	83.9	Confident	90	Very high	96 Å²	96	59.2 Å²	59.2	42%	0.417	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	132.4	171.1	-167.1	-177.2	-178.8	174.9	0	110.4	E647 G668 E669 L671 T692 A693	E647-K666 WeakPolarHBondContact OE1-CE 3.32Å; E647-K666 WeakPolarHBondContact OE1-CG 3.37Å; E647-K666 WeakPolarHBondContact OE2-CA 3.22Å; E647-K666 WeakPolarHBondContact OE2-CG 3.25Å; K666-G668 PolarHBondContact O-N 2.84Å; K666-E669 PolarHBondContact N-O 2.91Å; K666-E669 PolarHBondContact O-N 3.44Å; K666-L671 HydrophobicContact CB-CD1 3.61Å; K666-L671 HydrophobicContact CB-CD2 4.5Å; K666-L671 HydrophobicContact CB-CG 4.06Å; K666-T692 WeakPolarHBondContact CD-O 3.34Å; K666-T692 WeakPolarHBondContact CE-O 3.35Å; K666-A693 HydrophobicContact CB-CB 4.29Å
667	A	82.5	Confident	89.9	Confident	94 Å²	94	60.1 Å²	60.1	78%	0.777	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	27.6	-172.4	0	0	0	0	0	113.9	E647 E669	E647-A667 PolarHBondContact OE2-N 2.85Å; A667-E669 VanDerWaalsContact C-N 3.33Å
668	G	78.1	Confident	89.7	Confident	64 Å²	64	62.1 Å²	62.1	66%	0.66	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-6	-174.4	0	0	0	0	0	115.8	K666	K666-G668 PolarHBondContact O-N 2.84Å
669	E	83.5	Confident	89.5	Confident	141 Å²	141	61.8 Å²	61.8	66%	0.659	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	140.5	173.7	-172	174.7	-128.1	0	0	111.4	Q665 K666 A667 L671	Q665-E669 CarbonylContact C-O 3.54Å; Q665-E669 WeakPolarHBondContact CA-O 3.36Å; K666-E669 PolarHBondContact N-O 2.91Å; K666-E669 PolarHBondContact O-N 3.44Å; A667-E669 VanDerWaalsContact C-N 3.33Å; E669-L671 PolarHBondContact O-N 3.26Å
670	R	86.3	Confident	89.3	Confident	123 Å²	123	57.2 Å²	57.2	46%	0.464	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	104.5	-175.6	-166	-177.5	-157.5	-116.6	-0.5	110.7	E663 E673	E663-R670 IonicContact OE2-CZ 2.79Å; E663-R670 IonicContact OE2-NE 3.3Å; E663-R670 PolarHBondContact OE2-NE 3.32Å; E663-R670 IonicContact OE2-NH2 3.34Å; E663-R670 PolarHBondContact OE2-NH2 3.13Å; R670-E673 IonicContact CZ-OE1 3.19Å; R670-E673 IonicContact NH1-OE1 2.85Å; R670-E673 PolarHBondContact NH1-OE1 3.28Å; R670-E673 IonicContact NH2-OE1 2.7Å; R670-E673 PolarHBondContact NH2-OE1 3.02Å
671	L	83.5	Confident	88.7	Confident	94 Å²	94	57.6 Å²	57.6	49%	0.492	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-45.6	-172.8	-64.7	-175.8	0	0	0	114.1	V664 K666 E669	V664-L671 HydrophobicContact CG1-CB 4.49Å; V664-L671 HydrophobicContact CG1-CD1 4.39Å; V664-L671 PolarHBondContact O-N 3.38Å; K666-L671 HydrophobicContact CB-CD1 3.61Å; K666-L671 HydrophobicContact CB-CD2 4.5Å; K666-L671 HydrophobicContact CB-CG 4.06Å; E669-L671 PolarHBondContact O-N 3.26Å
672	R	88.4	Confident	87.8	Confident	142 Å²	142	53.5 Å²	53.5	54%	0.536	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	161.6	-179.4	65.9	-178.6	-170.7	-140	5.6	112.1	V664 M674	V664-R672 HydrophobicContact CB-CG 3.95Å; V664-R672 HydrophobicContact CG2-CG 3.79Å; V664-R672 PolarHBondContact N-O 2.74Å; R672-M674 HydrophobicContact CG-CG 4.24Å; R672-M674 PolarHBondContact NE-SD 2.97Å; R672-M674 PolarHBondContact NH2-SD 2.77Å
673	E	91.1	Very high	86.4	Confident	104 Å²	104	55.1 Å²	55.1	49%	0.486	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	158.6	159.7	-63	-175	169.4	0	0	110.4	V662 R670 I698	V662-E673 CarbonylContact O-C 3.6Å; V662-E673 WeakPolarHBondContact O-CA 3.34Å; R670-E673 IonicContact CZ-OE1 3.19Å; R670-E673 IonicContact NH1-OE1 2.85Å; R670-E673 PolarHBondContact NH1-OE1 3.28Å; R670-E673 IonicContact NH2-OE1 2.7Å; R670-E673 PolarHBondContact NH2-OE1 3.02Å; E673-I698 HydrophobicContact CG-CD1 3.97Å
674	M	91.1	Very high	84.9	Confident	12 Å²	12	54.7 Å²	54.7	6%	0.059	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	135	173.3	-52.5	-175.6	-56.6	0	0	109	V662 V664 R672 T678 F680 V695	V662-M674 HydrophobicContact CG2-CB 3.83Å; V662-M674 HydrophobicContact CG2-CE 3.55Å; V662-M674 PolarHBondContact N-O 2.82Å; V662-M674 PolarHBondContact O-N 3.02Å; V664-M674 HydrophobicContact CG2-CE 3.5Å; V664-M674 VanDerWaalsContact CG2-CE 3.5Å; V664-M674 HydrophobicContact CG2-CG 4.06Å; V664-M674 HydrophobicContact CG2-SD 3.69Å; R672-M674 HydrophobicContact CG-CG 4.24Å; R672-M674 PolarHBondContact NE-SD 2.97Å; R672-M674 PolarHBondContact NH2-SD 2.77Å; M674-T678 HydrophobicContact CB-CG2 4.33Å; M674-F680 HydrophobicContact CE-CB 3.67Å; M674-F680 HydrophobicContact CE-CD1 3.72Å; M674-F680 HydrophobicContact CE-CD2 4.28Å; M674-F680 HydrophobicContact CE-CE1 4.4Å; M674-F680 HydrophobicContact CE-CG 3.64Å; M674-F680 HydrophobicContact SD-CB 4.32Å; M674-V695 HydrophobicContact CE-CG1 4.24Å
675	G	91.8	Very high	83.7	Confident	15 Å²	15	54.4 Å²	54.4	16%	0.155	30%	0.3	C	S	.	.			trans	-114.3	-169.2	179.5	0	0	0	0	0	113.2	T678	G675-T678 WeakPolarHBondContact O-CB 3.39Å; G675-T678 VanDerWaalsContact O-CG2 3.29Å; G675-T678 WeakPolarHBondContact O-CG2 3.13Å; G675-T678 PolarHBondContact O-N 2.82Å; G675-T678 PolarHBondContact O-OG1 3.19Å
676	P	92.2	Very high	82.2	Confident	60 Å²	60	53 Å²	53	39%	0.39	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	147.7	-177.9	-28.4	38.3	0	0	0	114	L657 G660 T678	L657-P676 CarbonylContact O-C 3.53Å; L657-P676 WeakPolarHBondContact O-CA 3.48Å; G660-P676 WeakPolarHBondContact O-CD 3.39Å; P676-T678 VanDerWaalsContact C-N 3.35Å
677	G	90.4	Very high	81	Confident	20 Å²	20	48.9 Å²	48.9	21%	0.206	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	13.7	-176.8	0	0	0	0	0	114.7	A611 L657	A611-G677 WeakPolarHBondContact CA-O 3.41Å; A611-G677 VanDerWaalsContact CB-O 3.22Å; A611-G677 WeakPolarHBondContact CB-O 3.36Å; L657-G677 PolarHBondContact O-N 2.65Å
678	T	91	Very high	79.8	Confident	42 Å²	42	47.8 Å²	47.8	26%	0.258	26%	0.256	S	S	.	.			trans	-100.2	148.1	174.8	57.5	0	0	0	0	112.4	V656 L657 M674 G675 P676	V656-T678 WeakPolarHBondContact CA-O 3.07Å; L657-T678 PolarHBondContact N-O 2.86Å; M674-T678 HydrophobicContact CB-CG2 4.33Å; G675-T678 WeakPolarHBondContact O-CB 3.39Å; G675-T678 VanDerWaalsContact O-CG2 3.29Å; G675-T678 WeakPolarHBondContact O-CG2 3.13Å; G675-T678 PolarHBondContact O-N 2.82Å; G675-T678 PolarHBondContact O-OG1 3.19Å; P676-T678 VanDerWaalsContact C-N 3.35Å
679	V	90.7	Very high	78.8	Confident	11 Å²	11	46.1 Å²	46.1	7%	0.067	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	141.2	170.6	-170.5	0	0	0	0	108.4	A611 N615 M618 V654 Y655 V656	A611-V679 HydrophobicContact CB-CG2 3.82Å; A611-V679 WeakPolarHBondContact O-CG2 3.23Å; N615-V679 HydrophobicContact CB-CB 4.17Å; N615-V679 HydrophobicContact CB-CG2 3.91Å; M618-V679 HydrophobicContact SD-CG1 3.9Å; V654-V679 HydrophobicContact CG1-CG1 4.02Å; Y655-V679 WeakPolarHBondContact O-CA 3.48Å; V656-V679 HydrophobicContact CG2-CG1 4.3Å; V656-V679 HydrophobicContact CG2-CG2 4.09Å
680	F	88.9	Confident	77.9	Confident	5 Å²	5	42.1 Å²	42.1	2%	0.022	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	151.2	170.6	63.3	-87.3	0	0	0	113.2	I644 I645 Y655 L657 V662 M674 V695 L703	I644-F680 HydrophobicContact CD1-CZ 4.28Å; I644-F680 HydrophobicContact CG2-CE2 3.88Å; I644-F680 HydrophobicContact CG2-CZ 4.08Å; I645-F680 HydrophobicContact CD1-CD2 3.82Å; I645-F680 HydrophobicContact CD1-CE2 4.08Å; Y655-F680 AromaticContact CD2-CD2 3.91Å; Y655-F680 HydrophobicContact CD2-CD2 3.91Å; Y655-F680 AromaticContact CD2-CE2 3.51Å; Y655-F680 HydrophobicContact CD2-CE2 3.51Å; Y655-F680 HydrophobicContact CD2-CZ 4.16Å; Y655-F680 HydrophobicContact CE2-CE2 4.4Å; Y655-F680 HydrophobicContact CG-CD2 4.47Å; Y655-F680 AromaticContact CG-CE2 3.9Å; Y655-F680 HydrophobicContact CG-CE2 3.9Å; Y655-F680 HydrophobicContact CG-CZ 4.07Å; Y655-F680 PolarHBondContact N-O 2.72Å; Y655-F680 PolarHBondContact O-N 3.4Å; L657-F680 HydrophobicContact CB-CE1 4.38Å; V662-F680 HydrophobicContact CG2-CE1 4.41Å; M674-F680 HydrophobicContact CE-CB 3.67Å; M674-F680 HydrophobicContact CE-CD1 3.72Å; M674-F680 HydrophobicContact CE-CD2 4.28Å; M674-F680 HydrophobicContact CE-CE1 4.4Å; M674-F680 HydrophobicContact CE-CG 3.64Å; M674-F680 HydrophobicContact SD-CB 4.32Å; F680-V695 HydrophobicContact CD2-CG1 4.24Å; F680-V695 HydrophobicContact CD2-CG2 4.18Å; F680-V695 HydrophobicContact CE2-CB 4.3Å; F680-V695 HydrophobicContact CE2-CG1 3.87Å; F680-V695 HydrophobicContact CE2-CG2 4.45Å; F680-V695 HydrophobicContact CZ-CG1 4.29Å; F680-L703 HydrophobicContact CE1-CD2 3.92Å; F680-L703 HydrophobicContact CZ-CD2 3.76Å
681	G	81.7	Confident	77.5	Confident	11 Å²	11	37 Å²	37	11%	0.113	20%	0.2	C	C	.	.			trans	95.8	7.1	178.9	0	0	0	0	0	114.4	L683 A684 R691	G681-L683 VanDerWaalsContact C-N 3.26Å; G681-L683 PolarHBondContact O-N 3.4Å; G681-A684 WeakPolarHBondContact O-CB 3.41Å; G681-A684 PolarHBondContact O-N 3.17Å; G681-A684 VanDerWaalsContact O-N 3.07Å; G681-R691 PolarHBondContact O-NH1 2.89Å
682	E	77.3	Confident	77.1	Confident	33 Å²	33	35.8 Å²	35.8	15%	0.154	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-34.6	179.4	65.4	-85.2	-121.9	0	0	113.7	N615 V654 A684 I685 L686	N615-E682 PolarHBondContact ND2-OE1 2.82Å; V654-E682 HydrophobicContact CG2-CB 4.09Å; E682-A684 PolarHBondContact O-N 3.37Å; E682-I685 PolarHBondContact O-N 3.34Å; E682-L686 PolarHBondContact O-N 3.39Å; E682-L686 VanDerWaalsContact O-N 3.16Å
683	L	66.1	Low	76.9	Confident	33 Å²	33	29.8 Å²	29.8	17%	0.173	18%	0.178	C	C	.	.	H	α-helix	trans	-53.8	-40.2	175	-54.6	-179.3	0	0	0	111.5	G681 I685 L686 Y687 T692 M1077	G681-L683 VanDerWaalsContact C-N 3.26Å; G681-L683 PolarHBondContact O-N 3.4Å; L683-I685 PolarHBondContact O-N 3.32Å; L683-L686 PolarHBondContact O-N 3.1Å; L683-Y687 HydrophobicContact CB-CD2 4.29Å; L683-Y687 HydrophobicContact CB-CE2 4.44Å; L683-Y687 HydrophobicContact CD2-CE2 4.13Å; L683-Y687 WeakPolarHBondContact O-CD2 3.3Å; L683-Y687 PolarHBondContact O-N 2.87Å; L683-T692 HydrophobicContact CD1-CG2 4.28Å; L683-T692 WeakPolarHBondContact CD1-OG1 3.09Å; L683-M1077 HydrophobicContact CD2-CB 3.86Å; L683-M1077 HydrophobicContact CD2-CG 3.69Å; L683-M1077 HydrophobicContact CD2-SD 3.38Å; L683-M1077 WeakPolarHBondContact CD2-SD 3.38Å
684	A	63.1	Low	76.9	Confident	2 Å²	2	25.7 Å²	25.7	2%	0.017	16%	0.16	C	C	.	.	H	α-helix	trans	-80.5	-3.5	-175.6	0	0	0	0	0	114.4	G651 G681 E682 R691 R708	G651-A684 VanDerWaalsContact O-O 3.07Å; G681-A684 WeakPolarHBondContact O-CB 3.41Å; G681-A684 PolarHBondContact O-N 3.17Å; G681-A684 VanDerWaalsContact O-N 3.07Å; E682-A684 PolarHBondContact O-N 3.37Å; A684-R691 VanDerWaalsContact CB-NH1 3.33Å; A684-R708 PolarHBondContact O-NE 2.99Å; A684-R708 PolarHBondContact O-NH2 2.76Å; A684-R708 VanDerWaalsContact O-NH2 3.1Å
685	I	65.7	Low	76.9	Confident	5 Å²	5	25.5 Å²	25.5	3%	0.026	16%	0.16	C	C	.	.	H	α-helix	trans	-99	-29.6	168.1	-74.9	-162.9	0	0	0	111.4	V654 E682 L683 I706 R708 F711	V654-I685 HydrophobicContact CB-CD1 3.72Å; V654-I685 HydrophobicContact CB-CG1 4.44Å; V654-I685 HydrophobicContact CG2-CB 4.16Å; V654-I685 HydrophobicContact CG2-CD1 3.56Å; V654-I685 HydrophobicContact CG2-CG1 3.85Å; E682-I685 PolarHBondContact O-N 3.34Å; L683-I685 PolarHBondContact O-N 3.32Å; I685-I706 HydrophobicContact CD1-CG2 4.27Å; I685-I706 WeakPolarHBondContact CD1-O 3.39Å; I685-R708 HydrophobicContact CB-CG 4.33Å; I685-R708 HydrophobicContact CG1-CB 4.06Å; I685-R708 HydrophobicContact CG1-CG 4.35Å; I685-R708 HydrophobicContact CG2-CG 4.2Å; I685-R708 WeakPolarHBondContact O-CD 3.44Å; I685-R708 WeakPolarHBondContact O-CG 3.46Å; I685-F711 HydrophobicContact CD1-CB 3.99Å; I685-F711 HydrophobicContact CD1-CG 4.43Å; I685-F711 HydrophobicContact CG2-CB 3.75Å; I685-F711 HydrophobicContact CG2-CD1 3.22Å; I685-F711 HydrophobicContact CG2-CD2 4.27Å; I685-F711 HydrophobicContact CG2-CE1 3.82Å; I685-F711 HydrophobicContact CG2-CG 3.48Å; I685-F711 VanDerWaalsContact CG2-CG 3.48Å
686	L	59	Low	77	Confident	7 Å²	7	28 Å²	28	4%	0.037	17%	0.165	C	C	.	.	H	α-helix	trans	-77.4	-40.6	176.5	-67.1	168.3	0	0	0	112.8	F617 E682 L683 F1031	F617-L686 HydrophobicContact CD1-CD1 3.9Å; F617-L686 HydrophobicContact CD1-CD2 4.37Å; F617-L686 HydrophobicContact CD2-CD1 3.99Å; F617-L686 HydrophobicContact CE1-CD1 4.05Å; F617-L686 HydrophobicContact CE1-CD2 3.66Å; F617-L686 HydrophobicContact CE1-CG 4.24Å; F617-L686 HydrophobicContact CE2-CD1 4.11Å; F617-L686 HydrophobicContact CE2-CD2 3.9Å; F617-L686 HydrophobicContact CG-CD1 3.91Å; F617-L686 HydrophobicContact CZ-CD1 4.17Å; F617-L686 HydrophobicContact CZ-CD2 3.4Å; F617-L686 VanDerWaalsContact CZ-CD2 3.4Å; F617-L686 HydrophobicContact CZ-CG 4.33Å; E682-L686 PolarHBondContact O-N 3.39Å; E682-L686 VanDerWaalsContact O-N 3.16Å; L683-L686 PolarHBondContact O-N 3.1Å; L686-F1031 VanDerWaalsContact O-CB 3.29Å; L686-F1031 WeakPolarHBondContact O-CB 3.41Å; L686-F1031 VanDerWaalsContact O-CG 3.27Å; L686-F1031 WeakPolarHBondContact O-CG 3.24Å
687	Y	58.1	Low	77.2	Confident	8 Å²	8	25.2 Å²	25.2	3%	0.031	15%	0.147	C	C	.	.	S	Bend	trans	-119.1	150.7	-175.4	-41.9	-63.5	0	0	0	109.7	L683 C689 R708 F1031 Y1080	L683-Y687 HydrophobicContact CB-CD2 4.29Å; L683-Y687 HydrophobicContact CB-CE2 4.44Å; L683-Y687 HydrophobicContact CD2-CE2 4.13Å; L683-Y687 WeakPolarHBondContact O-CD2 3.3Å; L683-Y687 PolarHBondContact O-N 2.87Å; Y687-C689 PolarHBondContact O-N 2.92Å; Y687-R708 PolarHBondContact O-NH2 2.96Å; Y687-F1031 AromaticContact CD1-CD1 3.74Å; Y687-F1031 HydrophobicContact CD1-CD1 3.74Å; Y687-F1031 AromaticContact CD1-CE1 3.47Å; Y687-F1031 HydrophobicContact CD1-CE1 3.47Å; Y687-F1031 VanDerWaalsContact CD1-CE1 3.47Å; Y687-F1031 HydrophobicContact CD1-CE2 4.34Å; Y687-F1031 HydrophobicContact CD1-CG 4.34Å; Y687-F1031 AromaticContact CD1-CZ 3.81Å; Y687-F1031 HydrophobicContact CD1-CZ 3.81Å; Y687-F1031 HydrophobicContact CE1-CD1 4.1Å; Y687-F1031 HydrophobicContact CE1-CD2 4.24Å; Y687-F1031 AromaticContact CE1-CE1 3.58Å; Y687-F1031 HydrophobicContact CE1-CE1 3.58Å; Y687-F1031 AromaticContact CE1-CE2 3.71Å; Y687-F1031 HydrophobicContact CE1-CE2 3.71Å; Y687-F1031 HydrophobicContact CE1-CG 4.44Å; Y687-F1031 AromaticContact CE1-CZ 3.38Å; Y687-F1031 HydrophobicContact CE1-CZ 3.38Å; Y687-Y1080 HydrophobicContact CD1-CE2 4.33Å; Y687-Y1080 HydrophobicContact CE1-CD2 4.14Å; Y687-Y1080 HydrophobicContact CE1-CE1 4.48Å; Y687-Y1080 AromaticContact CE1-CE2 3.41Å; Y687-Y1080 HydrophobicContact CE1-CE2 3.41Å; Y687-Y1080 VanDerWaalsContact CE1-CE2 3.41Å; Y687-Y1080 AromaticContact CE1-CZ 3.6Å; Y687-Y1080 HydrophobicContact CE2-CD2 4.21Å; Y687-Y1080 AromaticContact CE2-CE2 3.81Å; Y687-Y1080 HydrophobicContact CE2-CE2 3.81Å; Y687-Y1080 AromaticContact CZ-CD2 3.53Å; Y687-Y1080 AromaticContact CZ-CE2 3.16Å; Y687-Y1080 AromaticContact CZ-CZ 3.86Å; Y687-Y1080 WeakPolarHBondContact OH-CD2 3.48Å; Y687-Y1080 WeakPolarHBondContact OH-CE2 3.41Å
688	N	56.7	Low	77.3	Confident	71 Å²	71	26.3 Å²	26.3	38%	0.38	15%	0.147	S	C	.	.	S	Bend	trans	-80.1	43.7	162.5	-158	38.6	0	0	0	110.7	S578 R708	S578-N688 WeakPolarHBondContact O-CB 3.31Å; S578-N688 PolarHBondContact O-N 2.91Å; S578-N688 VanDerWaalsContact O-N 3.14Å; N688-R708 PolarHBondContact OD1-NH1 3.34Å; N688-R708 PolarHBondContact OD1-NH2 2.81Å
689	C	58.1	Low	77.5	Confident	29 Å²	29	26.7 Å²	26.7	20%	0.196	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-86.4	157.2	179.6	73.9	0	0	0	0	110.8	Y687	Y687-C689 PolarHBondContact O-N 2.92Å
690	T	64.3	Low	77.7	Confident	57 Å²	57	31.2 Å²	31.2	35%	0.35	17%	0.173	S	C	.	.	B	Isolated β-bridge	trans	-67.1	156.8	162.4	52	0	0	0	0	110.5	G648 E649 T692	G648-T690 WeakPolarHBondContact O-CB 3.49Å; G648-T690 WeakPolarHBondContact O-CG2 3.4Å; E649-T690 CarbonylContact O-C 3.47Å; E649-T690 WeakPolarHBondContact O-CA 3.5Å; E649-T690 WeakPolarHBondContact O-CB 3.16Å; T690-T692 PolarHBondContact O-N 3.11Å
691	R	79	Confident	78	Confident	16 Å²	16	31.3 Å²	31.3	6%	0.06	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-62.2	124.1	175.8	-64.4	-74.7	-155.6	-169.6	2.4	108.8	I645 Q646 E647 G648 E649 V653 G681 A684 A693	I645-R691 HydrophobicContact CG2-CB 3.6Å; I645-R691 HydrophobicContact CG2-CG 3.57Å; Q646-R691 VanDerWaalsContact O-CB 3.26Å; Q646-R691 WeakPolarHBondContact O-CB 3.28Å; E647-R691 WeakPolarHBondContact CA-O 3.27Å; G648-R691 PolarHBondContact N-O 3.14Å; E649-R691 HydrophobicContact CB-CG 4.06Å; E649-R691 WeakPolarHBondContact O-CG 3.49Å; E649-R691 PolarHBondContact O-N 2.99Å; V653-R691 PolarHBondContact O-NH1 3.21Å; V653-R691 PolarHBondContact O-NH2 3.09Å; G681-R691 PolarHBondContact O-NH1 2.89Å; A684-R691 VanDerWaalsContact CB-NH1 3.33Å; R691-A693 VanDerWaalsContact C-N 3.3Å; R691-A693 PolarHBondContact O-N 2.87Å
692	T	74.8	Confident	78.6	Confident	69 Å²	69	35.1 Å²	35.1	42%	0.423	19%	0.188	S	C	.	.	S	Bend	trans	-85.4	0.9	-170.4	58.9	0	0	0	0	114.8	K666 L683 T690	K666-T692 WeakPolarHBondContact CD-O 3.34Å; K666-T692 WeakPolarHBondContact CE-O 3.35Å; L683-T692 HydrophobicContact CD1-CG2 4.28Å; L683-T692 WeakPolarHBondContact CD1-OG1 3.09Å; T690-T692 PolarHBondContact O-N 3.11Å
693	A	84.2	Confident	79.4	Confident	16 Å²	16	33.5 Å²	33.5	13%	0.132	18%	0.181	C	C	.	.	S	Bend	trans	-168.2	150.5	-179.3	0	0	0	0	0	108.2	I645 V664 Q665 K666 R691	I645-A693 VanDerWaalsContact CG2-O 3.25Å; I645-A693 WeakPolarHBondContact CG2-O 3.45Å; V664-A693 HydrophobicContact CG1-CB 3.78Å; Q665-A693 CarbonylContact O-C 3.53Å; Q665-A693 WeakPolarHBondContact O-CA 3.14Å; Q665-A693 WeakPolarHBondContact O-CB 3.43Å; K666-A693 HydrophobicContact CB-CB 4.29Å; R691-A693 VanDerWaalsContact C-N 3.3Å; R691-A693 PolarHBondContact O-N 2.87Å
694	S	89.8	Confident	80.7	Confident	17 Å²	17	32.6 Å²	32.6	12%	0.119	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	151.6	170.5	-56.3	0	0	0	0	111	I645 E647 V664 Q665	I645-S694 CarbonylContact O-C 3.53Å; I645-S694 WeakPolarHBondContact O-CA 3.47Å; E647-S694 PolarHBondContact N-OG 3.19Å; V664-S694 WeakPolarHBondContact CA-O 3.46Å; Q665-S694 PolarHBondContact N-O 3.5Å; Q665-S694 PolarHBondContact O-N 2.68Å
695	V	92.6	Very high	82	Confident	8 Å²	8	33.2 Å²	33.2	5%	0.048	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	124.8	172.6	-173.6	0	0	0	0	109.8	I644 I645 V662 E663 V664 M674 F680	I644-V695 HydrophobicContact CD1-CG1 4.44Å; I644-V695 PolarHBondContact N-O 3.37Å; I645-V695 HydrophobicContact CB-CB 3.97Å; I645-V695 HydrophobicContact CB-CG2 4.06Å; I645-V695 HydrophobicContact CD1-CB 4.47Å; I645-V695 HydrophobicContact CD1-CG2 4.01Å; I645-V695 HydrophobicContact CG1-CB 4.39Å; I645-V695 HydrophobicContact CG1-CG2 4.4Å; I645-V695 PolarHBondContact N-O 3.45Å; I645-V695 PolarHBondContact O-N 3.33Å; V662-V695 HydrophobicContact CB-CG1 3.79Å; V662-V695 HydrophobicContact CG1-CG1 4.46Å; V662-V695 HydrophobicContact CG2-CG1 3.72Å; E663-V695 VanDerWaalsContact O-CA 3.3Å; E663-V695 WeakPolarHBondContact O-CA 3.5Å; V664-V695 HydrophobicContact CG2-CG2 4.33Å; M674-V695 HydrophobicContact CE-CG1 4.24Å; F680-V695 HydrophobicContact CD2-CG1 4.24Å; F680-V695 HydrophobicContact CD2-CG2 4.18Å; F680-V695 HydrophobicContact CE2-CB 4.3Å; F680-V695 HydrophobicContact CE2-CG1 3.87Å; F680-V695 HydrophobicContact CE2-CG2 4.45Å; F680-V695 HydrophobicContact CZ-CG1 4.29Å
696	R	93.7	Very high	83.1	Confident	68 Å²	68	33.2 Å²	33.2	26%	0.257	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.8	-175.6	-164.2	172.9	65.1	135.4	-1.6	111.8	S642 W643 V662 E663	S642-R696 WeakPolarHBondContact O-CA 3.27Å; S642-R696 WeakPolarHBondContact O-CG 3.34Å; W643-R696 HydrophobicContact CD2-CB 4.33Å; W643-R696 HydrophobicContact CD2-CG 4.14Å; W643-R696 HydrophobicContact CE3-CB 3.69Å; W643-R696 HydrophobicContact CE3-CG 4.01Å; W643-R696 HydrophobicContact CH2-CB 4.41Å; W643-R696 HydrophobicContact CZ3-CB 3.73Å; W643-R696 HydrophobicContact CZ3-CG 4.22Å; V662-R696 CarbonylContact C-O 3.6Å; V662-R696 VanDerWaalsContact CA-O 3.24Å; V662-R696 WeakPolarHBondContact CA-O 3.3Å; V662-R696 WeakPolarHBondContact CB-O 3.42Å; E663-R696 HydrophobicContact CG-CB 3.98Å; E663-R696 PolarHBondContact N-O 3.2Å; E663-R696 PolarHBondContact O-N 3.22Å; E663-R696 IonicContact OE1-CZ 3.57Å; E663-R696 IonicContact OE1-NE 2.72Å; E663-R696 PolarHBondContact OE1-NE 2.79Å; E663-R696 IonicContact OE1-NH2 3.43Å; E663-R696 PolarHBondContact OE1-NH2 3.14Å
697	A	95.1	Very high	84.4	Confident	1 Å²	1	36 Å²	36	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	122.6	177.3	0	0	0	0	0	111.5	A639 L641 S642 I644 T699	A639-A697 WeakPolarHBondContact O-CB 3.28Å; L641-A697 WeakPolarHBondContact CA-O 3.37Å; L641-A697 PolarHBondContact N-O 3.37Å; S642-A697 PolarHBondContact O-N 3.36Å; I644-A697 HydrophobicContact CD1-CB 4.3Å; A697-T699 WeakPolarHBondContact CB-O 3.18Å
698	I	94.5	Very high	85.3	Confident	44 Å²	44	35.9 Å²	35.9	23%	0.226	20%	0.195	C	C	.	.	S	Bend	trans	-84.7	-40.2	176.4	-54.3	173.2	0	0	0	110.1	R640 Y661 E663 E673	R640-I698 WeakPolarHBondContact CD-O 3.36Å; R640-I698 WeakPolarHBondContact CG-O 3.43Å; R640-I698 PolarHBondContact NE-O 3.17Å; Y661-I698 WeakPolarHBondContact O-CB 3.37Å; Y661-I698 PolarHBondContact O-N 3.4Å; E663-I698 HydrophobicContact CB-CD1 3.99Å; E663-I698 HydrophobicContact CB-CG1 4.12Å; E663-I698 HydrophobicContact CG-CD1 4.47Å; E663-I698 HydrophobicContact CG-CG1 4.06Å; E673-I698 HydrophobicContact CG-CD1 3.97Å
699	T	95.2	Very high	86.2	Confident	49 Å²	49	34.7 Å²	34.7	30%	0.301	19%	0.191	S	C	.	.	S	Bend	trans	-111	177.7	171.1	62.4	0	0	0	0	109.5	R640 G660 Y661 A697 C701	R640-T699 WeakPolarHBondContact CA-O 3.14Å; G660-T699 WeakPolarHBondContact CA-OG1 2.95Å; Y661-T699 HydrophobicContact CD2-CG2 4.4Å; Y661-T699 PolarHBondContact N-OG1 3.06Å; Y661-T699 PolarHBondContact O-N 2.77Å; A697-T699 WeakPolarHBondContact CB-O 3.18Å; T699-C701 PolarHBondContact O-SG 3.45Å
700	D	94.3	Very high	87.4	Confident	106 Å²	106	34.3 Å²	34.3	57%	0.567	19%	0.188	S	C	*	.			trans	-60.4	142.1	155.7	-57.5	-61.1	0	0	0	108.7	A639 R640	A639-D700 VanDerWaalsContact CA-OD1 3.3Å; A639-D700 WeakPolarHBondContact CA-OD1 3.29Å; R640-D700 PolarHBondContact N-OD1 2.9Å
701	C	94.4	Very high	88.3	Confident	8 Å²	8	31.8 Å²	31.8	5%	0.054	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.8	-169.8	-67	0	0	0	0	111.3	C638 L657 D659 Y661 T699	C638-C701 HydrophobicContact CB-CB 4.37Å; C638-C701 PolarHBondContact N-O 2.88Å; C638-C701 PolarHBondContact O-N 3.46Å; L657-C701 HydrophobicContact CD1-CB 4.06Å; D659-C701 CarbonylContact O-C 3.59Å; D659-C701 WeakPolarHBondContact O-CA 3.41Å; Y661-C701 PolarHBondContact O-SG 3.22Å; Y661-C701 VanDerWaalsContact O-SG 3.4Å; T699-C701 PolarHBondContact O-SG 3.45Å
702	K	94.6	Very high	88.2	Confident	90 Å²	90	32.1 Å²	32.1	39%	0.391	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	115.8	173.8	-166.5	-176.2	178.8	-147.7	0	108.8	E658 D659	E658-K702 HydrophobicContact CB-CB 4.5Å; E658-K702 HydrophobicContact CB-CG 4.49Å; E658-K702 HydrophobicContact CG-CD 4.49Å; E658-K702 PolarHBondContact N-O 2.86Å; E658-K702 IonicContact OE1-NZ 2.77Å; E658-K702 PolarHBondContact OE1-NZ 3.31Å; E658-K702 WeakPolarHBondContact OE2-CD 3.2Å; E658-K702 WeakPolarHBondContact OE2-CE 3.33Å; E658-K702 IonicContact OE2-NZ 2.8Å; E658-K702 PolarHBondContact OE2-NZ 2.69Å; D659-K702 HydrophobicContact CB-CB 3.96Å; D659-K702 PolarHBondContact N-O 3.44Å; D659-K702 PolarHBondContact O-N 3.07Å
703	L	93.8	Very high	88.3	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	155.1	-172.5	-62.4	163.9	0	0	0	111	L636 C638 I644 Y655 V656 L657 F680	L636-L703 HydrophobicContact CB-CB 4.14Å; L636-L703 HydrophobicContact CD2-CD1 4.13Å; L636-L703 HydrophobicContact CG-CD1 4.45Å; L636-L703 PolarHBondContact N-O 2.99Å; L636-L703 WeakPolarHBondContact O-CA 3.35Å; L636-L703 WeakPolarHBondContact O-CB 3.22Å; L636-L703 PolarHBondContact O-N 3.45Å; C638-L703 HydrophobicContact CB-CD1 4.03Å; C638-L703 VanDerWaalsContact SG-CD1 3.53Å; I644-L703 HydrophobicContact CD1-CD1 4.04Å; I644-L703 HydrophobicContact CG1-CD1 4.24Å; I644-L703 HydrophobicContact CG2-CD1 3.85Å; Y655-L703 HydrophobicContact CD1-CD1 4.47Å; V656-L703 CarbonylContact O-C 3.49Å; V656-L703 WeakPolarHBondContact O-CA 3.3Å; L657-L703 HydrophobicContact CB-CD2 4.36Å; L657-L703 HydrophobicContact CD1-CD2 3.62Å; L657-L703 HydrophobicContact CD1-CG 4.46Å; F680-L703 HydrophobicContact CE1-CD2 3.92Å; F680-L703 HydrophobicContact CZ-CD2 3.76Å
704	W	94	Very high	88.2	Confident	13 Å²	13	28.5 Å²	28.5	5%	0.049	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129.2	163	-67.5	87.3	0	0	0	109.5	I598 K600 T604 I608 M633 C634 P635 Y655 V656 E658	I598-W704 HydrophobicContact CG2-CZ3 4.3Å; K600-W704 HydrophobicContact CD-CE3 4.04Å; K600-W704 HydrophobicContact CD-CH2 4.12Å; K600-W704 HydrophobicContact CD-CZ3 3.82Å; K600-W704 HydrophobicContact CG-CH2 3.73Å; K600-W704 HydrophobicContact CG-CZ2 4.4Å; K600-W704 HydrophobicContact CG-CZ3 3.8Å; T604-W704 HydrophobicContact CG2-CD2 4.49Å; T604-W704 HydrophobicContact CG2-CZ2 3.6Å; I608-W704 HydrophobicContact CD1-CB 4.07Å; I608-W704 HydrophobicContact CD1-CD2 3.82Å; I608-W704 HydrophobicContact CD1-CE3 4.48Å; I608-W704 HydrophobicContact CD1-CG 3.55Å; I608-W704 HydrophobicContact CG1-CB 4.46Å; I608-W704 HydrophobicContact CG1-CG 4.14Å; M633-W704 HydrophobicContact CB-CB 4.02Å; M633-W704 HydrophobicContact CB-CE3 4.21Å; M633-W704 HydrophobicContact CE-CB 4.07Å; M633-W704 WeakPolarHBondContact CE-O 3.3Å; M633-W704 HydrophobicContact SD-CB 3.94Å; C634-W704 VanDerWaalsContact C-CE3 3.45Å; C634-W704 CarbonylContact O-C 3.54Å; C634-W704 VanDerWaalsContact O-CA 3.32Å; C634-W704 WeakPolarHBondContact O-CA 3.23Å; P635-W704 HydrophobicContact CB-CE3 4.18Å; P635-W704 HydrophobicContact CB-CH2 3.72Å; P635-W704 HydrophobicContact CB-CZ2 4.2Å; P635-W704 HydrophobicContact CB-CZ3 3.7Å; P635-W704 HydrophobicContact CG-CH2 4.24Å; P635-W704 HydrophobicContact CG-CZ3 4.05Å; Y655-W704 CarbonylContact C-O 3.59Å; Y655-W704 VanDerWaalsContact CA-O 3.25Å; Y655-W704 WeakPolarHBondContact CA-O 3.38Å; V656-W704 HydrophobicContact CB-CB 4.44Å; V656-W704 PolarHBondContact N-O 2.95Å; V656-W704 PolarHBondContact O-N 3.42Å; E658-W704 PolarHBondContact OE2-NE1 2.86Å
705	A	91.2	Very high	87.6	Confident	15 Å²	15	27.8 Å²	27.8	12%	0.124	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	140.9	-174.5	0	0	0	0	0	111.6	M633 C634 V653 V654 Y655	M633-A705 CarbonylContact C-O 3.52Å; M633-A705 VanDerWaalsContact CA-O 3.27Å; M633-A705 WeakPolarHBondContact CA-O 3.1Å; C634-A705 PolarHBondContact N-O 2.93Å; C634-A705 PolarHBondContact O-N 3.32Å; V653-A705 HydrophobicContact CG1-CB 3.81Å; V654-A705 WeakPolarHBondContact O-CA 3.4Å; Y655-A705 HydrophobicContact CD1-CB 4.04Å; Y655-A705 HydrophobicContact CE1-CB 4.12Å
706	I	88.3	Confident	86.6	Confident	5 Å²	5	27.8 Å²	27.8	3%	0.026	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	140.5	164.3	-168.4	171	0	0	0	109.3	I629 M633 V653 V654 I685 I714	I629-I706 HydrophobicContact CB-CD1 4.46Å; I629-I706 HydrophobicContact CG1-CD1 4.46Å; I629-I706 HydrophobicContact CG2-CD1 4.05Å; I629-I706 HydrophobicContact CG2-CG2 4.49Å; M633-I706 HydrophobicContact CE-CB 4.07Å; M633-I706 HydrophobicContact CE-CG2 3.87Å; M633-I706 HydrophobicContact CG-CB 4.32Å; V653-I706 CarbonylContact C-O 3.46Å; V653-I706 WeakPolarHBondContact CA-O 3.38Å; V653-I706 WeakPolarHBondContact CG1-O 3.31Å; V654-I706 HydrophobicContact CB-CG2 3.89Å; V654-I706 HydrophobicContact CG1-CG2 4.06Å; V654-I706 PolarHBondContact N-O 2.8Å; V654-I706 PolarHBondContact O-N 3.49Å; I685-I706 HydrophobicContact CD1-CG2 4.27Å; I685-I706 WeakPolarHBondContact CD1-O 3.39Å; I706-I714 HydrophobicContact CD1-CD1 3.94Å
707	D	85	Confident	85.8	Confident	65 Å²	65	26 Å²	26	35%	0.348	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	161	-178.8	69.7	-33.4	0	0	0	112.6	S652 P709 C710 F711	S652-D707 CarbonylContact O-C 3.45Å; S652-D707 WeakPolarHBondContact O-CA 3.22Å; D707-P709 WeakPolarHBondContact OD2-CD 3.4Å; D707-C710 WeakPolarHBondContact O-CA 3.47Å; D707-C710 PolarHBondContact O-N 2.82Å; D707-C710 WeakPolarHBondContact OD1-CA 3.32Å; D707-C710 PolarHBondContact OD1-N 2.97Å; D707-C710 VanDerWaalsContact OD1-N 3.07Å; D707-F711 PolarHBondContact O-N 3.44Å
708	R	77.9	Confident	84.7	Confident	7 Å²	7	26.3 Å²	26.3	3%	0.026	14%	0.142	C	C	.	.	H	α-helix	trans	-59.5	-46.4	179.7	-164.2	-170.9	-49.7	152.1	7.7	112.3	G579 G651 S652 A684 I685 Y687 N688 C710 F711 Q712	G579-R708 PolarHBondContact O-NH1 3.2Å; G651-R708 PolarHBondContact O-NH2 3.18Å; S652-R708 PolarHBondContact O-N 2.66Å; A684-R708 PolarHBondContact O-NE 2.99Å; A684-R708 PolarHBondContact O-NH2 2.76Å; A684-R708 VanDerWaalsContact O-NH2 3.1Å; I685-R708 HydrophobicContact CB-CG 4.33Å; I685-R708 HydrophobicContact CG1-CB 4.06Å; I685-R708 HydrophobicContact CG1-CG 4.35Å; I685-R708 HydrophobicContact CG2-CG 4.2Å; I685-R708 WeakPolarHBondContact O-CD 3.44Å; I685-R708 WeakPolarHBondContact O-CG 3.46Å; Y687-R708 PolarHBondContact O-NH2 2.96Å; N688-R708 PolarHBondContact OD1-NH1 3.34Å; N688-R708 PolarHBondContact OD1-NH2 2.81Å; R708-C710 PolarHBondContact O-N 2.96Å; R708-F711 PolarHBondContact O-N 2.84Å; R708-Q712 HydrophobicContact CG-CG 4.11Å; R708-Q712 WeakPolarHBondContact O-CB 3.49Å; R708-Q712 WeakPolarHBondContact O-CG 3.26Å; R708-Q712 PolarHBondContact O-N 2.88Å
709	P	75.8	Confident	83.5	Confident	46 Å²	46	25.3 Å²	25.3	30%	0.299	14%	0.142	S	C	.	.	H	α-helix	trans	-58.3	-46.1	174	-24.9	34.8	0	0	0	112.9	Y584 D707 S713	Y584-P709 HydrophobicContact CE2-CB 4.16Å; D707-P709 WeakPolarHBondContact OD2-CD 3.4Å; P709-S713 VanDerWaalsContact O-CB 3.3Å; P709-S713 WeakPolarHBondContact O-CB 3.25Å; P709-S713 PolarHBondContact O-N 3.43Å
710	C	83.2	Confident	82.6	Confident	21 Å²	21	26.1 Å²	26.1	14%	0.142	14%	0.143	C	C	.	.	H	α-helix	trans	-44.2	-63.5	167.8	157.4	0	0	0	0	112.8	D707 R708 S713 I714	D707-C710 WeakPolarHBondContact O-CA 3.47Å; D707-C710 PolarHBondContact O-N 2.82Å; D707-C710 WeakPolarHBondContact OD1-CA 3.32Å; D707-C710 PolarHBondContact OD1-N 2.97Å; D707-C710 VanDerWaalsContact OD1-N 3.07Å; R708-C710 PolarHBondContact O-N 2.96Å; C710-S713 VanDerWaalsContact O-CB 3.31Å; C710-S713 WeakPolarHBondContact O-CB 3.33Å; C710-S713 PolarHBondContact O-N 2.9Å; C710-I714 WeakPolarHBondContact O-CG1 3.42Å; C710-I714 PolarHBondContact O-N 2.89Å
711	F	83.2	Confident	81.8	Confident	4 Å²	4	25.1 Å²	25.1	2%	0.018	14%	0.136	C	C	.	.	H	α-helix	trans	-61.4	-48.8	-176.7	-175.6	-89.9	0	0	0	113	F617 M618 L621 I629 I685 D707 R708 S713 I714 M715	F617-F711 HydrophobicContact CE1-CZ 4.31Å; M618-F711 HydrophobicContact CE-CE2 3.99Å; L621-F711 HydrophobicContact CD1-CE2 4.11Å; L621-F711 HydrophobicContact CD1-CZ 4.09Å; I629-F711 HydrophobicContact CD1-CD2 4.02Å; I629-F711 HydrophobicContact CD1-CE2 3.65Å; I629-F711 HydrophobicContact CG1-CD2 4.22Å; I629-F711 HydrophobicContact CG1-CE2 4.35Å; I685-F711 HydrophobicContact CD1-CB 3.99Å; I685-F711 HydrophobicContact CD1-CG 4.43Å; I685-F711 HydrophobicContact CG2-CB 3.75Å; I685-F711 HydrophobicContact CG2-CD1 3.22Å; I685-F711 HydrophobicContact CG2-CD2 4.27Å; I685-F711 HydrophobicContact CG2-CE1 3.82Å; I685-F711 HydrophobicContact CG2-CG 3.48Å; I685-F711 VanDerWaalsContact CG2-CG 3.48Å; D707-F711 PolarHBondContact O-N 3.44Å; R708-F711 PolarHBondContact O-N 2.84Å; F711-S713 VanDerWaalsContact C-N 3.29Å; F711-S713 PolarHBondContact O-N 3.2Å; F711-I714 PolarHBondContact O-N 2.87Å; F711-I714 VanDerWaalsContact O-N 3.15Å; F711-M715 HydrophobicContact CD1-CG 3.88Å; F711-M715 HydrophobicContact CD2-CE 4.26Å; F711-M715 HydrophobicContact CE1-CE 4.3Å; F711-M715 HydrophobicContact CE1-CG 3.52Å; F711-M715 HydrophobicContact CE1-SD 4.07Å; F711-M715 HydrophobicContact CE2-CE 3.88Å; F711-M715 HydrophobicContact CE2-SD 4.49Å; F711-M715 HydrophobicContact CZ-CE 3.9Å; F711-M715 HydrophobicContact CZ-CG 3.99Å; F711-M715 HydrophobicContact CZ-SD 3.91Å; F711-M715 WeakPolarHBondContact O-CG 3.43Å; F711-M715 PolarHBondContact O-N 3.02Å
712	Q	76.1	Confident	81	Confident	22 Å²	22	28.4 Å²	28.4	10%	0.103	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-37.8	179.1	-72.8	177.3	-19.1	0	0	111.6	R708 I714 M715 M716	R708-Q712 HydrophobicContact CG-CG 4.11Å; R708-Q712 WeakPolarHBondContact O-CB 3.49Å; R708-Q712 WeakPolarHBondContact O-CG 3.26Å; R708-Q712 PolarHBondContact O-N 2.88Å; Q712-I714 VanDerWaalsContact C-N 3.34Å; Q712-I714 PolarHBondContact O-N 2.97Å; Q712-M715 PolarHBondContact O-N 3.02Å; Q712-M716 WeakPolarHBondContact O-CB 3.49Å; Q712-M716 PolarHBondContact O-N 3.37Å
713	S	77	Confident	80.1	Confident	9 Å²	9	25.9 Å²	25.9	6%	0.063	14%	0.138	C	C	.	.	H	α-helix	trans	-56.3	-47.8	173.1	-156.2	0	0	0	0	112.1	Y584 P709 C710 F711 F717	Y584-S713 WeakPolarHBondContact OH-CA 3.34Å; Y584-S713 WeakPolarHBondContact OH-CB 3.31Å; Y584-S713 PolarHBondContact OH-OG 3.3Å; P709-S713 VanDerWaalsContact O-CB 3.3Å; P709-S713 WeakPolarHBondContact O-CB 3.25Å; P709-S713 PolarHBondContact O-N 3.43Å; C710-S713 VanDerWaalsContact O-CB 3.31Å; C710-S713 WeakPolarHBondContact O-CB 3.33Å; C710-S713 PolarHBondContact O-N 2.9Å; F711-S713 VanDerWaalsContact C-N 3.29Å; F711-S713 PolarHBondContact O-N 3.2Å; S713-F717 WeakPolarHBondContact O-CB 3.38Å; S713-F717 PolarHBondContact O-N 2.68Å
714	I	81.7	Confident	79.6	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-66.9	-43.3	-177.8	-64.2	164.5	0	0	0	110.7	K628 I629 I706 C710 F711 Q712 T718	K628-I714 HydrophobicContact CB-CB 4.45Å; K628-I714 HydrophobicContact CB-CD1 4.25Å; K628-I714 HydrophobicContact CB-CG1 4.25Å; K628-I714 HydrophobicContact CB-CG2 3.38Å; K628-I714 HydrophobicContact CG-CG2 4.16Å; I629-I714 HydrophobicContact CG1-CD1 4.24Å; I629-I714 HydrophobicContact CG1-CG2 4.41Å; I706-I714 HydrophobicContact CD1-CD1 3.94Å; C710-I714 WeakPolarHBondContact O-CG1 3.42Å; C710-I714 PolarHBondContact O-N 2.89Å; F711-I714 PolarHBondContact O-N 2.87Å; F711-I714 VanDerWaalsContact O-N 3.15Å; Q712-I714 VanDerWaalsContact C-N 3.34Å; Q712-I714 PolarHBondContact O-N 2.97Å; I714-T718 HydrophobicContact CG2-CG2 4.45Å; I714-T718 WeakPolarHBondContact O-CB 3.2Å; I714-T718 VanDerWaalsContact O-CG2 3.32Å; I714-T718 WeakPolarHBondContact O-CG2 3.48Å; I714-T718 PolarHBondContact O-N 2.94Å; I714-T718 VanDerWaalsContact O-N 3.13Å; I714-T718 PolarHBondContact O-OG1 3.02Å
715	M	77.1	Confident	79.2	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-50.6	177.9	-64.3	-50.3	106.9	0	0	111.4	L621 Q625 I629 F711 Q712 T718 G719 N1045	L621-M715 HydrophobicContact CD1-CE 4.14Å; L621-M715 HydrophobicContact CD1-SD 4.24Å; L621-M715 HydrophobicContact CD2-CE 4.47Å; L621-M715 HydrophobicContact CD2-SD 3.56Å; L621-M715 VanDerWaalsContact CD2-SD 3.56Å; Q625-M715 HydrophobicContact CB-CE 4.18Å; Q625-M715 HydrophobicContact CG-CE 4.34Å; I629-M715 HydrophobicContact CD1-CE 3.76Å; I629-M715 HydrophobicContact CG1-CE 4.22Å; F711-M715 HydrophobicContact CD1-CG 3.88Å; F711-M715 HydrophobicContact CD2-CE 4.26Å; F711-M715 HydrophobicContact CE1-CE 4.3Å; F711-M715 HydrophobicContact CE1-CG 3.52Å; F711-M715 HydrophobicContact CE1-SD 4.07Å; F711-M715 HydrophobicContact CE2-CE 3.88Å; F711-M715 HydrophobicContact CE2-SD 4.49Å; F711-M715 HydrophobicContact CZ-CE 3.9Å; F711-M715 HydrophobicContact CZ-CG 3.99Å; F711-M715 HydrophobicContact CZ-SD 3.91Å; F711-M715 WeakPolarHBondContact O-CG 3.43Å; F711-M715 PolarHBondContact O-N 3.02Å; Q712-M715 PolarHBondContact O-N 3.02Å; M715-T718 PolarHBondContact O-OG1 3.33Å; M715-T718 VanDerWaalsContact O-OG1 3.08Å; M715-G719 PolarHBondContact O-N 3.19Å; M715-N1045 HydrophobicContact CB-CB 4.32Å; M715-N1045 HydrophobicContact CG-CB 4.24Å
716	M	72.9	Confident	79	Confident	9 Å²	9	33 Å²	33	4%	0.044	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-50.8	-179.8	-178.7	-178.3	75	0	0	111.6	Y584 P586 Q712 T718 G719 I720 W1029	Y584-M716 HydrophobicContact CE1-CE 3.95Å; Y584-M716 HydrophobicContact CE1-SD 4.47Å; P586-M716 HydrophobicContact CB-CE 3.75Å; P586-M716 HydrophobicContact CB-SD 4.39Å; P586-M716 HydrophobicContact CG-CE 4.08Å; P586-M716 HydrophobicContact CG-SD 4.09Å; Q712-M716 WeakPolarHBondContact O-CB 3.49Å; Q712-M716 PolarHBondContact O-N 3.37Å; M716-T718 PolarHBondContact O-N 2.94Å; M716-G719 PolarHBondContact O-N 3.04Å; M716-I720 HydrophobicContact CG-CD1 3.63Å; M716-I720 HydrophobicContact CG-CG1 4.4Å; M716-I720 WeakPolarHBondContact O-CG1 3.25Å; M716-I720 PolarHBondContact O-N 2.93Å; M716-I720 HydrophobicContact SD-CD1 4.36Å; M716-W1029 HydrophobicContact CB-CD2 4.22Å; M716-W1029 HydrophobicContact CB-CG 4.1Å; M716-W1029 HydrophobicContact CG-CD2 3.66Å; M716-W1029 HydrophobicContact CG-CE3 3.92Å; M716-W1029 HydrophobicContact CG-CG 4.06Å; M716-W1029 HydrophobicContact CG-CH2 4.43Å; M716-W1029 HydrophobicContact CG-CZ2 4.19Å; M716-W1029 HydrophobicContact CG-CZ3 4.29Å; M716-W1029 HydrophobicContact SD-CD2 4.29Å; M716-W1029 HydrophobicContact SD-CE3 4.04Å; M716-W1029 HydrophobicContact SD-CZ3 4.46Å
717	F	75.5	Confident	78.8	Confident	29 Å²	29	34 Å²	34	13%	0.127	18%	0.179	C	C	.	.	H	α-helix	trans	-64.2	-43.3	-174.8	-174.7	-103.8	0	0	0	112.8	L592 W595 S713 I720 Q721	L592-F717 HydrophobicContact CB-CD2 3.93Å; L592-F717 HydrophobicContact CB-CE2 3.66Å; L592-F717 HydrophobicContact CB-CZ 4.31Å; L592-F717 HydrophobicContact CD1-CD2 3.78Å; L592-F717 HydrophobicContact CD1-CE2 4.04Å; L592-F717 HydrophobicContact CD2-CB 4.3Å; L592-F717 HydrophobicContact CD2-CD2 3.86Å; L592-F717 HydrophobicContact CD2-CE2 4.46Å; L592-F717 HydrophobicContact CD2-CG 4.23Å; L592-F717 HydrophobicContact CG-CD2 4.06Å; L592-F717 HydrophobicContact CG-CE2 4.26Å; W595-F717 AromaticContact CH2-CD1 3.85Å; W595-F717 HydrophobicContact CH2-CD1 3.85Å; W595-F717 AromaticContact CH2-CE1 3.5Å; W595-F717 HydrophobicContact CH2-CE1 3.5Å; W595-F717 VanDerWaalsContact CH2-CE1 3.5Å; W595-F717 HydrophobicContact CH2-CZ 4.13Å; W595-F717 AromaticContact CZ2-CD1 3.55Å; W595-F717 HydrophobicContact CZ2-CD1 3.55Å; W595-F717 AromaticContact CZ2-CE1 3.7Å; W595-F717 HydrophobicContact CZ2-CE1 3.7Å; W595-F717 HydrophobicContact CZ2-CG 4.13Å; W595-F717 HydrophobicContact CZ2-CZ 4.4Å; S713-F717 WeakPolarHBondContact O-CB 3.38Å; S713-F717 PolarHBondContact O-N 2.68Å; F717-I720 PolarHBondContact O-N 3.41Å; F717-Q721 HydrophobicContact CD1-CG 4.13Å; F717-Q721 HydrophobicContact CE1-CG 3.78Å; F717-Q721 HydrophobicContact CE2-CG 4.23Å; F717-Q721 VanDerWaalsContact CZ-CD 3.46Å; F717-Q721 HydrophobicContact CZ-CG 3.85Å; F717-Q721 VanDerWaalsContact CZ-NE2 3.33Å; F717-Q721 WeakPolarHBondContact O-CB 3.45Å; F717-Q721 WeakPolarHBondContact O-CG 3.39Å; F717-Q721 PolarHBondContact O-N 3.23Å
718	T	72	Confident	78.9	Confident	9 Å²	9	38.1 Å²	38.1	6%	0.055	19%	0.194	C	C	.	.	H	α-helix	trans	-64.9	-41	178	50.8	0	0	0	0	112.1	Q625 I714 M715 M716 K722	Q625-T718 HydrophobicContact CG-CG2 3.85Å; Q625-T718 WeakPolarHBondContact CG-OG1 3.33Å; Q625-T718 PolarHBondContact NE2-OG1 3.13Å; I714-T718 HydrophobicContact CG2-CG2 4.45Å; I714-T718 WeakPolarHBondContact O-CB 3.2Å; I714-T718 VanDerWaalsContact O-CG2 3.32Å; I714-T718 WeakPolarHBondContact O-CG2 3.48Å; I714-T718 PolarHBondContact O-N 2.94Å; I714-T718 VanDerWaalsContact O-N 3.13Å; I714-T718 PolarHBondContact O-OG1 3.02Å; M715-T718 PolarHBondContact O-OG1 3.33Å; M715-T718 VanDerWaalsContact O-OG1 3.08Å; M716-T718 PolarHBondContact O-N 2.94Å; T718-K722 WeakPolarHBondContact O-CB 3.29Å; T718-K722 PolarHBondContact O-N 3.03Å
719	G	70.6	Confident	79.3	Confident	22 Å²	22	38.4 Å²	38.4	23%	0.227	20%	0.195	C	C	.	.	H	α-helix	trans	-61.1	-50.9	174.2	0	0	0	0	0	112.7	M715 M716 Q721 K722 Q723	M715-G719 PolarHBondContact O-N 3.19Å; M716-G719 PolarHBondContact O-N 3.04Å; G719-Q721 PolarHBondContact O-N 2.83Å; G719-K722 PolarHBondContact O-N 3.26Å; G719-Q723 WeakPolarHBondContact O-CB 3.48Å; G719-Q723 PolarHBondContact O-N 3.34Å
720	I	75.9	Confident	79.8	Confident	66 Å²	66	36.3 Å²	36.3	34%	0.338	18%	0.181	S	C	.	.	H	α-helix	trans	-61.2	-45	178.2	-66.5	172.2	0	0	0	111	M716 F717 T724 W1029	M716-I720 HydrophobicContact CG-CD1 3.63Å; M716-I720 HydrophobicContact CG-CG1 4.4Å; M716-I720 WeakPolarHBondContact O-CG1 3.25Å; M716-I720 PolarHBondContact O-N 2.93Å; M716-I720 HydrophobicContact SD-CD1 4.36Å; F717-I720 PolarHBondContact O-N 3.41Å; I720-T724 VanDerWaalsContact O-CB 3.24Å; I720-T724 WeakPolarHBondContact O-CB 3.47Å; I720-T724 PolarHBondContact O-N 3.05Å; I720-T724 PolarHBondContact O-OG1 2.87Å; I720-W1029 HydrophobicContact CD1-CH2 3.66Å; I720-W1029 HydrophobicContact CD1-CZ2 3.94Å; I720-W1029 HydrophobicContact CD1-CZ3 4.27Å; I720-W1029 HydrophobicContact CG1-CH2 3.66Å; I720-W1029 HydrophobicContact CG1-CZ2 3.57Å
721	Q	78.5	Confident	79.8	Confident	86 Å²	86	39.9 Å²	39.9	40%	0.402	20%	0.195	S	C	.	.	H	α-helix	trans	-59.1	-51.5	176.7	-80.3	-161	-44.9	0	0	111.3	F717 G719 Q723 T724 E725	F717-Q721 HydrophobicContact CD1-CG 4.13Å; F717-Q721 HydrophobicContact CE1-CG 3.78Å; F717-Q721 HydrophobicContact CE2-CG 4.23Å; F717-Q721 VanDerWaalsContact CZ-CD 3.46Å; F717-Q721 HydrophobicContact CZ-CG 3.85Å; F717-Q721 VanDerWaalsContact CZ-NE2 3.33Å; F717-Q721 WeakPolarHBondContact O-CB 3.45Å; F717-Q721 WeakPolarHBondContact O-CG 3.39Å; F717-Q721 PolarHBondContact O-N 3.23Å; G719-Q721 PolarHBondContact O-N 2.83Å; Q721-Q723 PolarHBondContact O-N 2.84Å; Q721-T724 CarbonylContact O-C 3.54Å; Q721-T724 WeakPolarHBondContact O-CB 3.28Å; Q721-T724 PolarHBondContact O-N 3.35Å; Q721-T724 VanDerWaalsContact O-N 3.14Å; Q721-E725 WeakPolarHBondContact O-CG 3.2Å; Q721-E725 PolarHBondContact O-N 3.21Å
722	K	76.4	Confident	79.9	Confident	77 Å²	77	43.1 Å²	43.1	34%	0.335	22%	0.217	S	C	.	.	H	α-helix	trans	-60.7	-46.2	-177.5	-172.7	178.3	-178.2	-179.7	0	112.2	T718 G719 T724 E725 Y726	T718-K722 WeakPolarHBondContact O-CB 3.29Å; T718-K722 PolarHBondContact O-N 3.03Å; G719-K722 PolarHBondContact O-N 3.26Å; K722-T724 VanDerWaalsContact C-N 3.3Å; K722-T724 PolarHBondContact O-N 2.89Å; K722-E725 PolarHBondContact O-N 3.3Å; K722-Y726 WeakPolarHBondContact CE-OH 3.34Å; K722-Y726 HydrophobicContact CG-CE1 4.19Å; K722-Y726 HydrophobicContact CG-CE2 4.14Å; K722-Y726 PolarHBondContact O-N 3.26Å
723	Q	76.2	Confident	80.1	Confident	37 Å²	37	42 Å²	42	17%	0.173	21%	0.212	C	C	.	.	H	α-helix	trans	-64.3	-36.7	176.8	-163.7	177.4	-2.5	0	0	111.3	G719 Q721 Y726 V727 G745 A748	G719-Q723 WeakPolarHBondContact O-CB 3.48Å; G719-Q723 PolarHBondContact O-N 3.34Å; Q721-Q723 PolarHBondContact O-N 2.84Å; Q723-Y726 PolarHBondContact O-N 3.44Å; Q723-V727 WeakPolarHBondContact O-CG2 3.46Å; Q723-V727 PolarHBondContact O-N 3.23Å; Q723-G745 PolarHBondContact NE2-O 2.81Å; Q723-A748 HydrophobicContact CG-CB 4.02Å
724	T	82.7	Confident	79.8	Confident	57 Å²	57	46.2 Å²	46.2	35%	0.35	24%	0.239	S	C	.	.	H	α-helix	trans	-68.2	-41	175	-58.3	0	0	0	0	112.6	I720 Q721 K722 Y726 K728	I720-T724 VanDerWaalsContact O-CB 3.24Å; I720-T724 WeakPolarHBondContact O-CB 3.47Å; I720-T724 PolarHBondContact O-N 3.05Å; I720-T724 PolarHBondContact O-OG1 2.87Å; Q721-T724 CarbonylContact O-C 3.54Å; Q721-T724 WeakPolarHBondContact O-CB 3.28Å; Q721-T724 PolarHBondContact O-N 3.35Å; Q721-T724 VanDerWaalsContact O-N 3.14Å; K722-T724 VanDerWaalsContact C-N 3.3Å; K722-T724 PolarHBondContact O-N 2.89Å; T724-Y726 VanDerWaalsContact C-N 3.34Å; T724-K728 HydrophobicContact CG2-CD 4.05Å; T724-K728 HydrophobicContact CG2-CG 4.49Å; T724-K728 WeakPolarHBondContact O-CB 3.42Å; T724-K728 VanDerWaalsContact O-CG 3.27Å; T724-K728 WeakPolarHBondContact O-CG 3.31Å; T724-K728 PolarHBondContact O-N 3.2Å
725	E	85.4	Confident	79.3	Confident	96 Å²	96	49.9 Å²	49.9	45%	0.449	26%	0.262	S	S	.	.	H	α-helix	trans	-59.2	-46.5	173.5	-72.9	-170.9	126.3	0	0	110.1	R624 Q721 K722 F729	R624-E725 IonicContact CZ-OE2 3.14Å; R624-E725 IonicContact NH1-OE2 2.95Å; R624-E725 PolarHBondContact NH1-OE2 2.87Å; R624-E725 IonicContact NH2-OE2 2.67Å; Q721-E725 WeakPolarHBondContact O-CG 3.2Å; Q721-E725 PolarHBondContact O-N 3.21Å; K722-E725 PolarHBondContact O-N 3.3Å; E725-F729 WeakPolarHBondContact O-CB 3.49Å; E725-F729 PolarHBondContact O-N 2.81Å
726	Y	86.6	Confident	79.2	Confident	25 Å²	25	50.1 Å²	50.1	10%	0.098	26%	0.263	C	S	.	.	H	α-helix	trans	-68.5	-44.9	-179.2	-69.9	2.7	0	0	0	113	K722 Q723 T724 K728 F729 L730 A748 L751 S753 L830	K722-Y726 WeakPolarHBondContact CE-OH 3.34Å; K722-Y726 HydrophobicContact CG-CE1 4.19Å; K722-Y726 HydrophobicContact CG-CE2 4.14Å; K722-Y726 PolarHBondContact O-N 3.26Å; Q723-Y726 PolarHBondContact O-N 3.44Å; T724-Y726 VanDerWaalsContact C-N 3.34Å; Y726-K728 VanDerWaalsContact C-N 3.35Å; Y726-K728 PolarHBondContact O-N 3.49Å; Y726-F729 PolarHBondContact O-N 2.93Å; Y726-L730 WeakPolarHBondContact O-CB 3.32Å; Y726-L730 VanDerWaalsContact O-CG 3.31Å; Y726-L730 WeakPolarHBondContact O-CG 3.3Å; Y726-L730 PolarHBondContact O-N 3.43Å; Y726-A748 WeakPolarHBondContact CD2-O 3.49Å; Y726-L751 HydrophobicContact CD2-CB 4.03Å; Y726-L751 HydrophobicContact CE2-CB 3.99Å; Y726-L751 WeakPolarHBondContact CE2-O 3.18Å; Y726-S753 WeakPolarHBondContact OH-CB 3.31Å; Y726-L830 HydrophobicContact CD1-CD1 4.21Å; Y726-L830 HydrophobicContact CD1-CD2 4.23Å; Y726-L830 HydrophobicContact CE1-CD1 4.38Å; Y726-L830 HydrophobicContact CE1-CD2 3.6Å; Y726-L830 HydrophobicContact CE2-CD2 4.08Å; Y726-L830 VanDerWaalsContact CZ-CD2 3.49Å
727	V	85.4	Confident	79.5	Confident	24 Å²	24	55.1 Å²	55.1	15%	0.145	28%	0.284	C	S	.	.	H	α-helix	trans	-63.7	-39.8	176.7	171.9	0	0	0	0	111.3	Q723 K731 L741 L744 A748	Q723-V727 WeakPolarHBondContact O-CG2 3.46Å; Q723-V727 PolarHBondContact O-N 3.23Å; V727-K731 PolarHBondContact O-N 3.39Å; V727-L741 HydrophobicContact CG1-CD2 3.78Å; V727-L744 HydrophobicContact CG1-CB 4.29Å; V727-L744 HydrophobicContact CG2-CB 4.48Å; V727-A748 HydrophobicContact CG2-CB 3.7Å
728	K	86.6	Confident	79.3	Confident	152 Å²	152	60 Å²	60	66%	0.661	31%	0.311	S	S	*	.	H	α-helix	trans	-64.1	-42.3	173.5	-75.8	175.9	179.2	177.2	0	112.1	T724 Y726 K731 S732	T724-K728 HydrophobicContact CG2-CD 4.05Å; T724-K728 HydrophobicContact CG2-CG 4.49Å; T724-K728 WeakPolarHBondContact O-CB 3.42Å; T724-K728 VanDerWaalsContact O-CG 3.27Å; T724-K728 WeakPolarHBondContact O-CG 3.31Å; T724-K728 PolarHBondContact O-N 3.2Å; Y726-K728 VanDerWaalsContact C-N 3.35Å; Y726-K728 PolarHBondContact O-N 3.49Å; K728-K731 PolarHBondContact O-N 2.98Å; K728-S732 PolarHBondContact O-N 3.21Å
729	F	87.3	Confident	79.4	Confident	14 Å²	14	61 Å²	61	6%	0.061	32%	0.316	C	S	.	.	H	α-helix	trans	-65.9	-46.8	178	173.7	-103.2	0	0	0	111.9	E725 Y726 K731 S732 V733 I774 I775 T776 R800 L830	E725-F729 WeakPolarHBondContact O-CB 3.49Å; E725-F729 PolarHBondContact O-N 2.81Å; Y726-F729 PolarHBondContact O-N 2.93Å; F729-K731 VanDerWaalsContact C-N 3.28Å; F729-K731 PolarHBondContact O-N 3.04Å; F729-S732 WeakPolarHBondContact O-CA 3.12Å; F729-S732 WeakPolarHBondContact O-CB 3.25Å; F729-S732 PolarHBondContact O-N 3.01Å; F729-S732 PolarHBondContact O-OG 3.03Å; F729-V733 HydrophobicContact CE1-CG2 4.01Å; F729-V733 HydrophobicContact CZ-CG2 3.95Å; F729-V733 PolarHBondContact O-N 3.22Å; F729-I774 HydrophobicContact CE1-CB 4.41Å; F729-I774 HydrophobicContact CE1-CG2 3.63Å; F729-I774 HydrophobicContact CZ-CG2 3.94Å; F729-I775 VanDerWaalsContact CZ-O 3.26Å; F729-I775 WeakPolarHBondContact CZ-O 3.14Å; F729-T776 HydrophobicContact CD1-CG2 3.72Å; F729-T776 HydrophobicContact CD2-CG2 4.2Å; F729-T776 HydrophobicContact CE1-CG2 3.47Å; F729-T776 VanDerWaalsContact CE1-CG2 3.47Å; F729-T776 HydrophobicContact CE2-CG2 4Å; F729-T776 HydrophobicContact CG-CG2 4.08Å; F729-T776 HydrophobicContact CZ-CG2 3.65Å; F729-R800 HydrophobicContact CE2-CG 4.12Å; F729-L830 HydrophobicContact CD1-CD1 3.68Å; F729-L830 HydrophobicContact CE1-CD1 3.97Å
730	L	85.2	Confident	79.6	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-58.4	-40.4	175.6	-69.8	169.4	0	0	0	111.5	Y726 S732 V733 F736 L744 V747 L751 I774	Y726-L730 WeakPolarHBondContact O-CB 3.32Å; Y726-L730 VanDerWaalsContact O-CG 3.31Å; Y726-L730 WeakPolarHBondContact O-CG 3.3Å; Y726-L730 PolarHBondContact O-N 3.43Å; L730-S732 PolarHBondContact O-N 3.02Å; L730-V733 WeakPolarHBondContact O-CB 3.46Å; L730-V733 PolarHBondContact O-N 2.98Å; L730-F736 HydrophobicContact CB-CB 4.48Å; L730-F736 HydrophobicContact CD2-CD2 3.79Å; L730-F736 HydrophobicContact CD2-CE2 4.3Å; L730-F736 HydrophobicContact CD2-CG 4.45Å; L730-F736 WeakPolarHBondContact O-CB 3.2Å; L730-L744 HydrophobicContact CB-CD2 3.8Å; L730-L744 HydrophobicContact CD1-CD2 4.12Å; L730-V747 HydrophobicContact CD1-CB 4.28Å; L730-V747 HydrophobicContact CD1-CG1 3.88Å; L730-L751 HydrophobicContact CD1-CD1 3.98Å; L730-L751 HydrophobicContact CD2-CD1 4.15Å; L730-L751 HydrophobicContact CG-CD1 4.31Å; L730-I774 HydrophobicContact CD2-CD1 3.68Å
731	K	84.3	Confident	79.6	Confident	97 Å²	97	64.6 Å²	64.6	42%	0.422	33%	0.331	S	S	.	.	H	α-helix	trans	-63.3	-18.6	172.8	-79.3	-151.1	165.5	-162.1	0	114.9	V727 K728 F729 K737 L741 L744	V727-K731 PolarHBondContact O-N 3.39Å; K728-K731 PolarHBondContact O-N 2.98Å; F729-K731 VanDerWaalsContact C-N 3.28Å; F729-K731 PolarHBondContact O-N 3.04Å; K731-K737 WeakPolarHBondContact O-CB 3.39Å; K731-L741 HydrophobicContact CD-CD2 4.45Å; K731-L744 HydrophobicContact CD-CD1 4.26Å; K731-L744 HydrophobicContact CG-CD1 3.53Å
732	S	84.1	Confident	79.1	Confident	71 Å²	71	62.8 Å²	62.8	50%	0.497	32%	0.322	S	S	.	.	H	α-helix	trans	-87.3	-12.2	172.8	72.2	0	0	0	0	113.9	K728 F729 L730	K728-S732 PolarHBondContact O-N 3.21Å; F729-S732 WeakPolarHBondContact O-CA 3.12Å; F729-S732 WeakPolarHBondContact O-CB 3.25Å; F729-S732 PolarHBondContact O-N 3.01Å; F729-S732 PolarHBondContact O-OG 3.03Å; L730-S732 PolarHBondContact O-N 3.02Å
733	V	79.8	Confident	78.9	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.317	C	S	.	.	S	Bend	trans	-81.3	122.9	173.6	176.7	0	0	0	0	108.9	F729 L730 T735 F736 K737 I774 G801	F729-V733 HydrophobicContact CE1-CG2 4.01Å; F729-V733 HydrophobicContact CZ-CG2 3.95Å; F729-V733 PolarHBondContact O-N 3.22Å; L730-V733 WeakPolarHBondContact O-CB 3.46Å; L730-V733 PolarHBondContact O-N 2.98Å; V733-T735 VanDerWaalsContact C-N 3.25Å; V733-T735 PolarHBondContact O-N 2.63Å; V733-T735 VanDerWaalsContact O-N 3.13Å; V733-F736 HydrophobicContact CB-CB 4.35Å; V733-F736 HydrophobicContact CB-CD2 3.78Å; V733-F736 HydrophobicContact CB-CG 4.46Å; V733-F736 HydrophobicContact CG1-CD2 3.51Å; V733-F736 HydrophobicContact CG1-CE2 3.97Å; V733-F736 HydrophobicContact CG1-CG 4.26Å; V733-F736 HydrophobicContact CG2-CD2 4.28Å; V733-F736 PolarHBondContact O-N 3.25Å; V733-K737 PolarHBondContact O-N 3.46Å; V733-I774 HydrophobicContact CG2-CG2 4.05Å; V733-G801 WeakPolarHBondContact CG1-O 3.3Å
734	P	71.9	Confident	79.1	Confident	96 Å²	96	59.1 Å²	59.1	62%	0.623	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-37.9	-175.6	-29.4	36	0	0	0	114.4	F736	P734-F736 VanDerWaalsContact C-N 3.29Å; P734-F736 PolarHBondContact O-N 2.9Å
735	T	69.9	Low	78.8	Confident	78 Å²	78	56.7 Å²	56.7	48%	0.479	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-21.3	178.8	-46.8	0	0	0	0	113.9	V733 W803	V733-T735 VanDerWaalsContact C-N 3.25Å; V733-T735 PolarHBondContact O-N 2.63Å; V733-T735 VanDerWaalsContact O-N 3.13Å; T735-W803 HydrophobicContact CG2-CZ2 4.02Å; T735-W803 PolarHBondContact OG1-NE1 2.95Å
736	F	76.7	Confident	78.2	Confident	7 Å²	7	54.3 Å²	54.3	3%	0.031	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-4.2	-175.6	-54.6	-47	0	0	0	113.7	L730 V733 P734 D738 L739 L744 F772 I774 I841	L730-F736 HydrophobicContact CB-CB 4.48Å; L730-F736 HydrophobicContact CD2-CD2 3.79Å; L730-F736 HydrophobicContact CD2-CE2 4.3Å; L730-F736 HydrophobicContact CD2-CG 4.45Å; L730-F736 WeakPolarHBondContact O-CB 3.2Å; V733-F736 HydrophobicContact CB-CB 4.35Å; V733-F736 HydrophobicContact CB-CD2 3.78Å; V733-F736 HydrophobicContact CB-CG 4.46Å; V733-F736 HydrophobicContact CG1-CD2 3.51Å; V733-F736 HydrophobicContact CG1-CE2 3.97Å; V733-F736 HydrophobicContact CG1-CG 4.26Å; V733-F736 HydrophobicContact CG2-CD2 4.28Å; V733-F736 PolarHBondContact O-N 3.25Å; P734-F736 VanDerWaalsContact C-N 3.29Å; P734-F736 PolarHBondContact O-N 2.9Å; F736-D738 VanDerWaalsContact C-N 3.29Å; F736-D738 PolarHBondContact O-N 2.86Å; F736-L739 HydrophobicContact CB-CD1 4.19Å; F736-L739 HydrophobicContact CD1-CD1 3.76Å; F736-L739 HydrophobicContact CG-CD1 4.39Å; F736-L739 WeakPolarHBondContact O-CB 3.48Å; F736-L739 PolarHBondContact O-N 2.95Å; F736-L744 HydrophobicContact CB-CD2 4.29Å; F736-F772 HydrophobicContact CE2-CE1 4.43Å; F736-F772 AromaticContact CZ-CE1 3.99Å; F736-F772 HydrophobicContact CZ-CE1 3.99Å; F736-F772 AromaticContact CZ-CZ 3.94Å; F736-F772 HydrophobicContact CZ-CZ 3.94Å; F736-I774 HydrophobicContact CD2-CD1 4.4Å; F736-I774 HydrophobicContact CE2-CD1 3.7Å; F736-I774 HydrophobicContact CE2-CG1 4.26Å; F736-I774 HydrophobicContact CZ-CD1 4.49Å; F736-I841 HydrophobicContact CE1-CD1 4.04Å; F736-I841 HydrophobicContact CE1-CG2 4.18Å; F736-I841 HydrophobicContact CZ-CD1 4.03Å
737	K	77.9	Confident	77.7	Confident	114 Å²	114	53.4 Å²	53.4	50%	0.496	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-39.2	-176.2	83.3	179.9	-173.3	171.3	0	113.3	K731 V733	K731-K737 WeakPolarHBondContact O-CB 3.39Å; V733-K737 PolarHBondContact O-N 3.46Å
738	D	72.2	Confident	77.6	Confident	130 Å²	130	52.5 Å²	52.5	70%	0.695	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-3.6	-173.3	-60.5	-49.4	0	0	0	112.7	F736	F736-D738 VanDerWaalsContact C-N 3.29Å; F736-D738 PolarHBondContact O-N 2.86Å
739	L	73.9	Confident	76.7	Confident	30 Å²	30	47.3 Å²	47.3	16%	0.157	26%	0.256	C	S	.	.	S	Bend	trans	-69.1	140.6	175.5	-60.5	-173.9	0	0	0	110.8	F736 V743 L744 L844	F736-L739 HydrophobicContact CB-CD1 4.19Å; F736-L739 HydrophobicContact CD1-CD1 3.76Å; F736-L739 HydrophobicContact CG-CD1 4.39Å; F736-L739 WeakPolarHBondContact O-CB 3.48Å; F736-L739 PolarHBondContact O-N 2.95Å; L739-V743 HydrophobicContact CD1-CG1 4.44Å; L739-L744 HydrophobicContact CB-CD1 4.38Å; L739-L744 HydrophobicContact CB-CD2 3.85Å; L739-L744 HydrophobicContact CB-CG 3.86Å; L739-L744 HydrophobicContact CD1-CD2 4.15Å; L739-L744 WeakPolarHBondContact O-CD1 3.43Å; L739-L844 HydrophobicContact CD1-CD1 3.78Å; L739-L844 HydrophobicContact CD2-CD1 3.84Å; L739-L844 HydrophobicContact CD2-CD2 3.88Å; L739-L844 HydrophobicContact CD2-CG 4.39Å; L739-L844 HydrophobicContact CG-CD1 4.49Å
740	N	74.5	Confident	76.1	Confident	57 Å²	57	47.8 Å²	47.8	31%	0.305	26%	0.26	S	S	.	.			trans	-64.4	149.5	179	78.5	58.1	0	0	0	110.8	E742 V743 L744	N740-E742 PolarHBondContact O-N 3.14Å; N740-E742 VanDerWaalsContact OD1-CB 3.29Å; N740-E742 WeakPolarHBondContact OD1-CB 3.34Å; N740-E742 PolarHBondContact OD1-N 2.7Å; N740-E742 VanDerWaalsContact OD1-N 3.07Å; N740-V743 PolarHBondContact O-N 3.16Å; N740-V743 PolarHBondContact OD1-N 3.49Å; N740-L744 WeakPolarHBondContact O-CG 3.25Å; N740-L744 PolarHBondContact O-N 3.49Å
741	L	75.9	Confident	75.7	Confident	108 Å²	108	48.2 Å²	48.2	57%	0.565	26%	0.262	S	S	*	.	H	α-helix	trans	-59.1	-23.1	-174.3	-80.9	166.4	0	0	0	114.2	V727 K731 G745	V727-L741 HydrophobicContact CG1-CD2 3.78Å; K731-L741 HydrophobicContact CD-CD2 4.45Å; L741-G745 PolarHBondContact O-N 3.38Å
742	E	68	Low	75.3	Confident	47 Å²	47	45 Å²	45	22%	0.22	26%	0.258	C	S	.	.	H	α-helix	trans	-79	-43.7	-179.4	-168.8	-170.7	153.4	0	0	111.3	N740 G745 K746 R849 Y1024	N740-E742 PolarHBondContact O-N 3.14Å; N740-E742 VanDerWaalsContact OD1-CB 3.29Å; N740-E742 WeakPolarHBondContact OD1-CB 3.34Å; N740-E742 PolarHBondContact OD1-N 2.7Å; N740-E742 VanDerWaalsContact OD1-N 3.07Å; E742-G745 PolarHBondContact O-N 3.14Å; E742-K746 WeakPolarHBondContact O-CG 3.38Å; E742-K746 PolarHBondContact O-N 3.43Å; E742-R849 IonicContact OE2-NH2 2.79Å; E742-R849 PolarHBondContact OE2-NH2 3.05Å; E742-Y1024 WeakPolarHBondContact OE1-CD1 3.28Å
743	V	72.1	Confident	75.2	Confident	36 Å²	36	45 Å²	45	22%	0.218	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-43.9	171.6	173.2	0	0	0	0	110.4	L739 N740 G745 K746 V747	L739-V743 HydrophobicContact CD1-CG1 4.44Å; N740-V743 PolarHBondContact O-N 3.16Å; N740-V743 PolarHBondContact OD1-N 3.49Å; V743-G745 VanDerWaalsContact C-N 3.28Å; V743-G745 PolarHBondContact O-N 3.34Å; V743-K746 PolarHBondContact O-N 2.8Å; V743-V747 WeakPolarHBondContact O-CG2 3.49Å; V743-V747 PolarHBondContact O-N 2.89Å
744	L	80.4	Confident	75.4	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-60.4	-38.7	172.7	-68.4	178.3	0	0	0	112	V727 L730 K731 F736 L739 N740 A748	V727-L744 HydrophobicContact CG1-CB 4.29Å; V727-L744 HydrophobicContact CG2-CB 4.48Å; L730-L744 HydrophobicContact CB-CD2 3.8Å; L730-L744 HydrophobicContact CD1-CD2 4.12Å; K731-L744 HydrophobicContact CD-CD1 4.26Å; K731-L744 HydrophobicContact CG-CD1 3.53Å; F736-L744 HydrophobicContact CB-CD2 4.29Å; L739-L744 HydrophobicContact CB-CD1 4.38Å; L739-L744 HydrophobicContact CB-CD2 3.85Å; L739-L744 HydrophobicContact CB-CG 3.86Å; L739-L744 HydrophobicContact CD1-CD2 4.15Å; L739-L744 WeakPolarHBondContact O-CD1 3.43Å; N740-L744 WeakPolarHBondContact O-CG 3.25Å; N740-L744 PolarHBondContact O-N 3.49Å; L744-A748 VanDerWaalsContact O-CB 3.22Å; L744-A748 WeakPolarHBondContact O-CB 3.39Å; L744-A748 PolarHBondContact O-N 3.21Å
745	G	76.6	Confident	76.2	Confident	6 Å²	6	48.5 Å²	48.5	6%	0.062	27%	0.265	C	S	.	.	H	α-helix	trans	-62	-45.8	173.5	0	0	0	0	0	112.7	Q723 L741 E742 V743 A748 V749	Q723-G745 PolarHBondContact NE2-O 2.81Å; L741-G745 PolarHBondContact O-N 3.38Å; E742-G745 PolarHBondContact O-N 3.14Å; V743-G745 VanDerWaalsContact C-N 3.28Å; V743-G745 PolarHBondContact O-N 3.34Å; G745-A748 PolarHBondContact O-N 2.81Å; G745-V749 WeakPolarHBondContact O-CG2 3.34Å; G745-V749 PolarHBondContact O-N 2.89Å
746	K	72.9	Confident	77.2	Confident	46 Å²	46	45.8 Å²	45.8	20%	0.2	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-46.9	175.2	-71.6	-175	-179.2	-167.1	0	111.8	E742 V743 V749 L840 A1118	E742-K746 WeakPolarHBondContact O-CG 3.38Å; E742-K746 PolarHBondContact O-N 3.43Å; V743-K746 PolarHBondContact O-N 2.8Å; K746-V749 PolarHBondContact O-N 2.7Å; K746-L840 HydrophobicContact CB-CD2 4.14Å; K746-A1118 PolarHBondContact NZ-O 3.05Å
747	V	77	Confident	78	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.03	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-46.6	176	174.1	0	0	0	0	110.8	L730 V743 V749 V750 L751 L840	L730-V747 HydrophobicContact CD1-CB 4.28Å; L730-V747 HydrophobicContact CD1-CG1 3.88Å; V743-V747 WeakPolarHBondContact O-CG2 3.49Å; V743-V747 PolarHBondContact O-N 2.89Å; V747-V749 PolarHBondContact O-N 3.38Å; V747-V749 VanDerWaalsContact O-N 3.11Å; V747-V750 WeakPolarHBondContact O-CG2 3.27Å; V747-V750 PolarHBondContact O-N 2.84Å; V747-L751 HydrophobicContact CG1-CD1 3.97Å; V747-L751 HydrophobicContact CG1-CD2 4.33Å; V747-L751 HydrophobicContact CG1-CG 3.99Å; V747-L751 WeakPolarHBondContact O-CG 3.41Å; V747-L751 PolarHBondContact O-N 3.43Å; V747-L751 VanDerWaalsContact O-N 3.13Å; V747-L840 HydrophobicContact CB-CD1 4.49Å; V747-L840 HydrophobicContact CG2-CB 3.81Å; V747-L840 HydrophobicContact CG2-CD1 3.89Å; V747-L840 HydrophobicContact CG2-CG 4.41Å
748	A	81.8	Confident	78.7	Confident	6 Å²	6	48 Å²	48	5%	0.05	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-19.9	179.4	0	0	0	0	0	114.6	Q723 Y726 V727 L744 G745	Q723-A748 HydrophobicContact CG-CB 4.02Å; Y726-A748 WeakPolarHBondContact CD2-O 3.49Å; V727-A748 HydrophobicContact CG2-CB 3.7Å; L744-A748 VanDerWaalsContact O-CB 3.22Å; L744-A748 WeakPolarHBondContact O-CB 3.39Å; L744-A748 PolarHBondContact O-N 3.21Å; G745-A748 PolarHBondContact O-N 2.81Å
749	V	69.3	Low	79.6	Confident	43 Å²	43	46.8 Å²	46.8	26%	0.261	26%	0.256	S	S	.	.	H	α-helix	trans	-77.9	-28.6	174.6	169	0	0	0	0	112.8	G745 K746 V747	G745-V749 WeakPolarHBondContact O-CG2 3.34Å; G745-V749 PolarHBondContact O-N 2.89Å; K746-V749 PolarHBondContact O-N 2.7Å; V747-V749 PolarHBondContact O-N 3.38Å; V747-V749 VanDerWaalsContact O-N 3.11Å
750	V	73.3	Confident	80.5	Confident	24 Å²	24	49.5 Å²	49.5	15%	0.145	27%	0.268	C	S	.	.	H	α-helix	trans	-103.1	-7.1	-178.4	-74.2	0	0	0	0	114.8	V747 G752 L832 L840 A1113	V747-V750 WeakPolarHBondContact O-CG2 3.27Å; V747-V750 PolarHBondContact O-N 2.84Å; V750-G752 PolarHBondContact O-N 3.01Å; V750-L832 HydrophobicContact CB-CD1 4.24Å; V750-L832 HydrophobicContact CG2-CD1 3.51Å; V750-L840 HydrophobicContact CG2-CD1 3.52Å; V750-A1113 HydrophobicContact CG1-CB 3.76Å
751	L	77.6	Confident	81.3	Confident	9 Å²	9	50.2 Å²	50.2	5%	0.047	27%	0.267	C	S	.	.			trans	-65.1	111.3	176.4	-74.9	175.1	0	0	0	111.9	Y726 L730 V747 I774 L830 M831 L832	Y726-L751 HydrophobicContact CD2-CB 4.03Å; Y726-L751 HydrophobicContact CE2-CB 3.99Å; Y726-L751 WeakPolarHBondContact CE2-O 3.18Å; L730-L751 HydrophobicContact CD1-CD1 3.98Å; L730-L751 HydrophobicContact CD2-CD1 4.15Å; L730-L751 HydrophobicContact CG-CD1 4.31Å; V747-L751 HydrophobicContact CG1-CD1 3.97Å; V747-L751 HydrophobicContact CG1-CD2 4.33Å; V747-L751 HydrophobicContact CG1-CG 3.99Å; V747-L751 WeakPolarHBondContact O-CG 3.41Å; V747-L751 PolarHBondContact O-N 3.43Å; V747-L751 VanDerWaalsContact O-N 3.13Å; L751-I774 HydrophobicContact CD2-CD1 4.44Å; L751-L830 HydrophobicContact CD1-CB 4.39Å; L751-L830 HydrophobicContact CD1-CD1 4.08Å; L751-L830 HydrophobicContact CD2-CB 4.25Å; L751-M831 WeakPolarHBondContact CA-O 3.47Å; L751-L832 HydrophobicContact CD2-CB 3.99Å; L751-L832 HydrophobicContact CD2-CD1 4.13Å
752	G	74.8	Confident	82	Confident	31 Å²	31	45.5 Å²	45.5	32%	0.32	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	166.9	160.5	0	0	0	0	0	110.8	V750 L830 M831	V750-G752 PolarHBondContact O-N 3.01Å; G752-L830 CarbonylContact O-C 3.43Å; G752-L830 VanDerWaalsContact O-CA 3.29Å; G752-L830 WeakPolarHBondContact O-CA 3.3Å; G752-L830 WeakPolarHBondContact O-CD2 3.29Å; G752-M831 PolarHBondContact N-O 2.78Å; G752-M831 PolarHBondContact O-N 3.47Å
753	S	82.3	Confident	83	Confident	71 Å²	71	43.6 Å²	43.6	50%	0.497	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	130.9	174.9	-169.3	0	0	0	0	108.7	Y726 C829	Y726-S753 WeakPolarHBondContact OH-CB 3.31Å; S753-C829 WeakPolarHBondContact CA-O 3.44Å
754	E	83.8	Confident	83.8	Confident	87 Å²	87	47.2 Å²	47.2	41%	0.407	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	151.4	-177.5	-169.5	157.2	-112.4	0	0	110	Y756 C829 M831	E754-Y756 HydrophobicContact CB-CE2 3.97Å; E754-Y756 HydrophobicContact CG-CD2 4.39Å; E754-Y756 HydrophobicContact CG-CE2 3.78Å; E754-Y756 PolarHBondContact OE2-OH 2.9Å; E754-C829 PolarHBondContact N-O 2.91Å; E754-C829 PolarHBondContact O-N 3.32Å; E754-M831 HydrophobicContact CB-CE 3.68Å; E754-M831 HydrophobicContact CB-SD 4.07Å; E754-M831 HydrophobicContact CG-CE 4.41Å; E754-M831 WeakPolarHBondContact OE2-CE 3.09Å
755	H	88.8	Confident	84.1	Confident	81 Å²	81	49.5 Å²	49.5	38%	0.375	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	135.9	177.8	-175	86.2	0	0	0	107.9	R825 V827 D828	H755-R825 PolarHBondContact CE1-O 2.82Å; H755-R825 PolarHBondContact NE2-O 3.1Å; H755-V827 WeakPolarHBondContact CA-O 3.34Å; H755-D828 IonicContact CE1-OD1 3.52Å; H755-D828 IonicContact CG-OD1 2.71Å; H755-D828 IonicContact ND1-OD1 2.72Å; H755-D828 PolarHBondContact ND1-OD1 3.02Å
756	Y	91.4	Very high	84.3	Confident	22 Å²	22	51.8 Å²	51.8	9%	0.086	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.9	177.4	-62.7	-99.9	0	0	0	108.6	E754 E760 V762 Y773 G826 V827 C829	E754-Y756 HydrophobicContact CB-CE2 3.97Å; E754-Y756 HydrophobicContact CG-CD2 4.39Å; E754-Y756 HydrophobicContact CG-CE2 3.78Å; E754-Y756 PolarHBondContact OE2-OH 2.9Å; Y756-E760 VanDerWaalsContact CA-OE2 3.27Å; Y756-E760 WeakPolarHBondContact CA-OE2 3.34Å; Y756-E760 HydrophobicContact CD1-CG 4.21Å; Y756-V762 HydrophobicContact CD1-CB 4.34Å; Y756-V762 HydrophobicContact CD1-CG1 4.42Å; Y756-V762 HydrophobicContact CD1-CG2 4.08Å; Y756-V762 HydrophobicContact CD2-CG1 4.11Å; Y756-V762 HydrophobicContact CD2-CG2 4.02Å; Y756-V762 HydrophobicContact CE1-CB 4.32Å; Y756-V762 HydrophobicContact CE1-CG1 4.05Å; Y756-V762 HydrophobicContact CE2-CG1 3.75Å; Y756-V762 HydrophobicContact CE2-CG2 4.49Å; Y756-V762 HydrophobicContact CG-CB 4.46Å; Y756-V762 HydrophobicContact CG-CG1 4.44Å; Y756-V762 HydrophobicContact CG-CG2 3.8Å; Y756-Y773 HydrophobicContact CE2-CE1 4.46Å; Y756-G826 CarbonylContact O-C 3.6Å; Y756-G826 WeakPolarHBondContact O-CA 3.44Å; Y756-V827 HydrophobicContact CD2-CG1 4.3Å; Y756-V827 HydrophobicContact CG-CG1 4.49Å; Y756-V827 PolarHBondContact N-O 3.21Å; Y756-V827 PolarHBondContact O-N 3.12Å; Y756-C829 HydrophobicContact CE2-CB 4.31Å
757	E	93.1	Very high	84.8	Confident	119 Å²	119	54.1 Å²	54.1	56%	0.556	29%	0.289	S	S	*	.			trans	-70.1	163.1	-174	-72.1	-70	169.6	0	0	111.7	D759 E760 A821	E757-D759 PolarHBondContact O-N 2.84Å; E757-E760 PolarHBondContact N-OE2 2.96Å; E757-E760 WeakPolarHBondContact O-CB 3.43Å; E757-E760 PolarHBondContact O-N 2.94Å; E757-E760 VanDerWaalsContact O-N 3.09Å; E757-A821 VanDerWaalsContact O-CB 3.24Å; E757-A821 WeakPolarHBondContact O-CB 3.38Å
758	P	93.3	Very high	84.7	Confident	48 Å²	48	63 Å²	63	31%	0.312	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	135.2	176	-27.4	34.9	0	0	0	113.6	E760 P823	P758-E760 PolarHBondContact O-N 2.96Å; P758-P823 HydrophobicContact CB-CB 4.37Å; P758-P823 HydrophobicContact CB-CG 4.04Å
759	D	91.5	Very high	84.1	Confident	104 Å²	104	62.8 Å²	62.8	56%	0.556	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	6.9	-177.7	-56.1	-59.4	0	0	0	115.7	E757 A821	E757-D759 PolarHBondContact O-N 2.84Å; D759-A821 WeakPolarHBondContact CA-O 3.38Å; D759-A821 PolarHBondContact N-O 3.27Å
760	E	92.3	Very high	84.4	Confident	88 Å²	88	65.6 Å²	65.6	41%	0.411	34%	0.335	S	S	.	.			trans	-73	147	171.1	-170.4	166.6	-151.4	0	0	112.3	Y756 E757 P758 I820 A821	Y756-E760 VanDerWaalsContact CA-OE2 3.27Å; Y756-E760 WeakPolarHBondContact CA-OE2 3.34Å; Y756-E760 HydrophobicContact CD1-CG 4.21Å; E757-E760 PolarHBondContact N-OE2 2.96Å; E757-E760 WeakPolarHBondContact O-CB 3.43Å; E757-E760 PolarHBondContact O-N 2.94Å; E757-E760 VanDerWaalsContact O-N 3.09Å; P758-E760 PolarHBondContact O-N 2.96Å; E760-I820 CarbonylContact O-C 3.54Å; E760-I820 WeakPolarHBondContact O-CA 3.42Å; E760-A821 PolarHBondContact O-N 3.27Å
761	Y	91.6	Very high	84.8	Confident	72 Å²	72	65.5 Å²	65.5	28%	0.282	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	109.5	178.5	-73.9	-118.6	0	0	0	109.7	I763 R764 N818 I819 I820	Y761-I763 PolarHBondContact O-N 3.29Å; Y761-R764 HydrophobicContact CD1-CG 3.93Å; Y761-R764 VanDerWaalsContact CD2-NH1 3.3Å; Y761-R764 HydrophobicContact CG-CG 4.27Å; Y761-N818 HydrophobicContact CD1-CB 4.22Å; Y761-N818 HydrophobicContact CE1-CB 4.08Å; Y761-I819 CarbonylContact C-O 3.37Å; Y761-I819 WeakPolarHBondContact CA-O 3.25Å; Y761-I820 HydrophobicContact CD1-CD1 4.15Å; Y761-I820 HydrophobicContact CD1-CG1 3.66Å; Y761-I820 HydrophobicContact CD2-CG1 4.07Å; Y761-I820 HydrophobicContact CE1-CD1 3.57Å; Y761-I820 HydrophobicContact CE1-CG1 3.63Å; Y761-I820 HydrophobicContact CE2-CD1 4.08Å; Y761-I820 HydrophobicContact CE2-CG1 4.03Å; Y761-I820 HydrophobicContact CG-CG1 3.9Å
762	V	90.5	Very high	85.1	Confident	9 Å²	9	65.2 Å²	65.2	6%	0.055	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	-32.2	171	-168.6	0	0	0	0	111	Y756 Y773 F804 I819 V827	Y756-V762 HydrophobicContact CD1-CB 4.34Å; Y756-V762 HydrophobicContact CD1-CG1 4.42Å; Y756-V762 HydrophobicContact CD1-CG2 4.08Å; Y756-V762 HydrophobicContact CD2-CG1 4.11Å; Y756-V762 HydrophobicContact CD2-CG2 4.02Å; Y756-V762 HydrophobicContact CE1-CB 4.32Å; Y756-V762 HydrophobicContact CE1-CG1 4.05Å; Y756-V762 HydrophobicContact CE2-CG1 3.75Å; Y756-V762 HydrophobicContact CE2-CG2 4.49Å; Y756-V762 HydrophobicContact CG-CB 4.46Å; Y756-V762 HydrophobicContact CG-CG1 4.44Å; Y756-V762 HydrophobicContact CG-CG2 3.8Å; V762-Y773 HydrophobicContact CG1-CD1 3.88Å; V762-Y773 HydrophobicContact CG1-CE1 3.68Å; V762-Y773 HydrophobicContact CG1-CG 4.42Å; V762-F804 HydrophobicContact CB-CE2 4.44Å; V762-F804 HydrophobicContact CB-CZ 4.38Å; V762-F804 HydrophobicContact CG1-CE2 3.88Å; V762-F804 HydrophobicContact CG1-CZ 3.83Å; V762-I819 HydrophobicContact CB-CB 4.3Å; V762-I819 HydrophobicContact CB-CG2 4.14Å; V762-I819 HydrophobicContact CG2-CG2 4.28Å; V762-I819 PolarHBondContact N-O 2.99Å; V762-V827 HydrophobicContact CG2-CG1 3.82Å
763	I	89.2	Confident	85.7	Confident	7 Å²	7	64.5 Å²	64.5	4%	0.036	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	136.5	177.3	-68.4	-177.8	0	0	0	108.1	Y761 Y773 F804 R815 A817 N818 I819	Y761-I763 PolarHBondContact O-N 3.29Å; I763-Y773 HydrophobicContact CD1-CD2 4Å; I763-Y773 HydrophobicContact CD1-CE2 3.78Å; I763-Y773 HydrophobicContact CG1-CD2 4.5Å; I763-Y773 HydrophobicContact CG1-CE2 3.92Å; I763-F804 HydrophobicContact CD1-CD2 3.59Å; I763-F804 HydrophobicContact CD1-CE2 3.73Å; I763-F804 HydrophobicContact CG1-CE2 4.2Å; I763-R815 HydrophobicContact CG2-CB 3.62Å; I763-R815 HydrophobicContact CG2-CG 3.6Å; I763-A817 WeakPolarHBondContact CG2-O 3.47Å; I763-N818 WeakPolarHBondContact O-CA 3.46Å; I763-I819 HydrophobicContact CB-CB 4.03Å; I763-I819 HydrophobicContact CB-CG1 3.93Å; I763-I819 HydrophobicContact CD1-CG1 4.09Å; I763-I819 HydrophobicContact CG1-CG1 4.32Å; I763-I819 PolarHBondContact N-O 3.09Å; I763-I819 PolarHBondContact O-N 2.79Å
764	R	88.2	Confident	86	Confident	111 Å²	111	61.2 Å²	61.2	42%	0.419	30%	0.297	S	S	.	.			trans	-102.7	146.2	161.8	-45.1	-174.8	173.5	-78.6	-7.4	111.5	Y761 E767 R815 N818	Y761-R764 HydrophobicContact CD1-CG 3.93Å; Y761-R764 VanDerWaalsContact CD2-NH1 3.3Å; Y761-R764 HydrophobicContact CG-CG 4.27Å; R764-E767 VanDerWaalsContact CB-CD 3.48Å; R764-E767 HydrophobicContact CB-CG 3.98Å; R764-E767 WeakPolarHBondContact CB-OE2 3.37Å; R764-E767 WeakPolarHBondContact CD-OE1 3.47Å; R764-E767 PolarHBondContact N-OE2 3.39Å; R764-E767 VanDerWaalsContact N-OE2 3.16Å; R764-R815 WeakPolarHBondContact O-CB 3.27Å; R764-N818 VanDerWaalsContact CA-OD1 3.25Å; R764-N818 WeakPolarHBondContact CA-OD1 3.3Å
765	E	87.3	Confident	86.2	Confident	50 Å²	50	57 Å²	57	23%	0.234	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	138.1	172.6	-176.2	169.9	-161.5	0	0	110.5	E767 K784 N785 R815 N818	E765-E767 VanDerWaalsContact C-N 3.28Å; E765-E767 PolarHBondContact O-N 3.06Å; E765-K784 WeakPolarHBondContact OE1-CG 3.48Å; E765-K784 IonicContact OE1-NZ 2.7Å; E765-K784 PolarHBondContact OE1-NZ 2.98Å; E765-K784 WeakPolarHBondContact OE2-CA 3.48Å; E765-K784 WeakPolarHBondContact OE2-CG 3.44Å; E765-N785 PolarHBondContact OE2-N 3.13Å; E765-R815 WeakPolarHBondContact CA-O 3.48Å; E765-N818 PolarHBondContact N-OD1 3.26Å
766	G	81.1	Confident	86.2	Confident	54 Å²	54	54.4 Å²	54.4	56%	0.557	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	-14.8	-178.8	0	0	0	0	0	115.5	R815	G766-R815 PolarHBondContact N-O 3.5Å
767	E	83.2	Confident	86	Confident	95 Å²	95	53.9 Å²	53.9	44%	0.444	27%	0.269	S	S	.	.	S	Bend	trans	-66.2	157.9	170.5	-71.7	178.1	158.1	0	0	111.4	R764 E765 V814 R815	R764-E767 VanDerWaalsContact CB-CD 3.48Å; R764-E767 HydrophobicContact CB-CG 3.98Å; R764-E767 WeakPolarHBondContact CB-OE2 3.37Å; R764-E767 WeakPolarHBondContact CD-OE1 3.47Å; R764-E767 PolarHBondContact N-OE2 3.39Å; R764-E767 VanDerWaalsContact N-OE2 3.16Å; E765-E767 VanDerWaalsContact C-N 3.28Å; E765-E767 PolarHBondContact O-N 3.06Å; E767-V814 CarbonylContact O-C 3.53Å; E767-V814 VanDerWaalsContact O-CA 3.24Å; E767-V814 WeakPolarHBondContact O-CA 3.49Å; E767-R815 HydrophobicContact CB-CG 4.27Å; E767-R815 WeakPolarHBondContact O-CB 3.48Å; E767-R815 VanDerWaalsContact O-CG 3.3Å; E767-R815 WeakPolarHBondContact O-CG 3.38Å; E767-R815 PolarHBondContact O-N 3.27Å
768	R	75.3	Confident	85.9	Confident	191 Å²	191	50.2 Å²	50.2	72%	0.721	26%	0.263	S	S	*	.	B	Isolated β-bridge	trans	-78.1	134.7	171.9	-82.8	-177.8	136	164.5	-3.4	111	D813 V814	R768-D813 WeakPolarHBondContact CA-O 3.25Å; R768-D813 IonicContact CZ-OD2 3.11Å; R768-D813 IonicContact NE-OD2 2.87Å; R768-D813 PolarHBondContact NE-OD2 2.83Å; R768-D813 IonicContact NH2-OD2 3.99Å; R768-D813 PolarHBondContact NH2-OD2 3.17Å; R768-V814 HydrophobicContact CG-CG1 4.26Å
769	G	67.8	Low	85.8	Confident	2 Å²	2	52 Å²	52	2%	0.021	27%	0.266	C	S	.	.			trans	-109.4	116.1	-173.9	0	0	0	0	0	114	L809 D813 R815 R834	G769-L809 WeakPolarHBondContact O-CD2 3.24Å; G769-D813 PolarHBondContact N-O 2.78Å; G769-R815 VanDerWaalsContact CA-CZ 3.42Å; G769-R815 VanDerWaalsContact CA-NE 3.31Å; G769-R834 PolarHBondContact O-NH2 2.79Å
770	N	75.9	Confident	85.9	Confident	103 Å²	103	47 Å²	47	55%	0.551	24%	0.239	S	C	*	.			trans	-120.8	9.7	177.1	67.4	-29.9	0	0	0	114.1	D833 R834	N770-D833 CarbonylContact O-C 3.42Å; N770-D833 WeakPolarHBondContact O-CA 3.32Å; N770-R834 HydrophobicContact CB-CB 4.45Å; N770-R834 PolarHBondContact O-N 3.12Å
771	T	81.5	Confident	86	Confident	22 Å²	22	45.2 Å²	45.2	14%	0.135	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.2	-177.7	-52	0	0	0	0	111.6	Y773 R815 M831 L832	T771-Y773 HydrophobicContact CG2-CD1 4.44Å; T771-Y773 HydrophobicContact CG2-CD2 4.33Å; T771-Y773 HydrophobicContact CG2-CE1 3.99Å; T771-Y773 HydrophobicContact CG2-CE2 3.86Å; T771-Y773 WeakPolarHBondContact O-CE2 3.31Å; T771-R815 VanDerWaalsContact O-CZ 3.3Å; T771-R815 PolarHBondContact O-NH1 3.28Å; T771-R815 PolarHBondContact O-NH2 3.47Å; T771-M831 HydrophobicContact CG2-CB 3.86Å; T771-M831 HydrophobicContact CG2-CG 4.13Å; T771-M831 HydrophobicContact CG2-SD 4.07Å; T771-L832 WeakPolarHBondContact CA-O 3.39Å
772	F	84.1	Confident	85.9	Confident	2 Å²	2	42 Å²	42	1%	0.009	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	141.8	168.6	175.1	-99.7	0	0	0	109.7	F736 I774 W803 E806 L809 M831 L832 Y837 I841	F736-F772 HydrophobicContact CE2-CE1 4.43Å; F736-F772 AromaticContact CZ-CE1 3.99Å; F736-F772 HydrophobicContact CZ-CE1 3.99Å; F736-F772 AromaticContact CZ-CZ 3.94Å; F736-F772 HydrophobicContact CZ-CZ 3.94Å; F772-I774 HydrophobicContact CD1-CG1 4.2Å; F772-I774 HydrophobicContact CE1-CD1 4.02Å; F772-I774 HydrophobicContact CE1-CG1 3.59Å; F772-I774 HydrophobicContact CZ-CG1 4.38Å; F772-W803 HydrophobicContact CE1-CB 4.37Å; F772-W803 HydrophobicContact CE2-CB 4.27Å; F772-W803 HydrophobicContact CE2-CD2 4Å; F772-W803 AromaticContact CE2-CE3 3.46Å; F772-W803 HydrophobicContact CE2-CE3 3.46Å; F772-W803 VanDerWaalsContact CE2-CE3 3.46Å; F772-W803 HydrophobicContact CE2-CG 4.37Å; F772-W803 HydrophobicContact CE2-CZ3 4.1Å; F772-W803 HydrophobicContact CZ-CB 3.73Å; F772-W803 AromaticContact CZ-CD2 3.86Å; F772-W803 HydrophobicContact CZ-CD2 3.86Å; F772-W803 AromaticContact CZ-CE3 3.83Å; F772-W803 HydrophobicContact CZ-CE3 3.83Å; F772-W803 AromaticContact CZ-CG 3.86Å; F772-W803 HydrophobicContact CZ-CG 3.86Å; F772-E806 HydrophobicContact CD2-CB 4.17Å; F772-E806 HydrophobicContact CE2-CB 4.19Å; F772-L809 HydrophobicContact CB-CD1 3.71Å; F772-M831 WeakPolarHBondContact O-CA 3.44Å; F772-L832 HydrophobicContact CB-CB 4.34Å; F772-L832 HydrophobicContact CD1-CB 4.24Å; F772-L832 PolarHBondContact N-O 3.19Å; F772-L832 PolarHBondContact O-N 2.7Å; F772-Y837 HydrophobicContact CB-CD2 3.72Å; F772-Y837 HydrophobicContact CB-CE2 4.35Å; F772-Y837 HydrophobicContact CB-CG 4.28Å; F772-Y837 AromaticContact CD1-CD2 3.94Å; F772-Y837 HydrophobicContact CD1-CD2 3.94Å; F772-Y837 HydrophobicContact CD1-CE2 4.27Å; F772-Y837 AromaticContact CD2-CD2 3.74Å; F772-Y837 HydrophobicContact CD2-CD2 3.74Å; F772-Y837 AromaticContact CD2-CE2 3.49Å; F772-Y837 HydrophobicContact CD2-CE2 3.49Å; F772-Y837 VanDerWaalsContact CD2-CE2 3.49Å; F772-Y837 HydrophobicContact CE1-CD2 4.46Å; F772-Y837 HydrophobicContact CE1-CE2 4.43Å; F772-Y837 HydrophobicContact CE2-CD2 4.29Å; F772-Y837 AromaticContact CE2-CE2 3.68Å; F772-Y837 HydrophobicContact CE2-CE2 3.68Å; F772-Y837 AromaticContact CG-CD2 3.54Å; F772-Y837 HydrophobicContact CG-CD2 3.54Å; F772-Y837 AromaticContact CG-CE2 3.8Å; F772-Y837 HydrophobicContact CG-CE2 3.8Å; F772-Y837 HydrophobicContact CZ-CE2 4.17Å; F772-I841 HydrophobicContact CE1-CD1 4.23Å
773	Y	88.3	Confident	85.9	Confident	17 Å²	17	41.7 Å²	41.7	7%	0.067	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.9	-173.3	-59.3	-98	0	0	0	111.9	Y756 V762 I763 T771 W803 F804 C829 L830 M831	Y756-Y773 HydrophobicContact CE2-CE1 4.46Å; V762-Y773 HydrophobicContact CG1-CD1 3.88Å; V762-Y773 HydrophobicContact CG1-CE1 3.68Å; V762-Y773 HydrophobicContact CG1-CG 4.42Å; I763-Y773 HydrophobicContact CD1-CD2 4Å; I763-Y773 HydrophobicContact CD1-CE2 3.78Å; I763-Y773 HydrophobicContact CG1-CD2 4.5Å; I763-Y773 HydrophobicContact CG1-CE2 3.92Å; T771-Y773 HydrophobicContact CG2-CD1 4.44Å; T771-Y773 HydrophobicContact CG2-CD2 4.33Å; T771-Y773 HydrophobicContact CG2-CE1 3.99Å; T771-Y773 HydrophobicContact CG2-CE2 3.86Å; T771-Y773 WeakPolarHBondContact O-CE2 3.31Å; Y773-W803 CarbonylContact O-C 2.97Å; Y773-W803 WeakPolarHBondContact O-CA 3.39Å; Y773-W803 WeakPolarHBondContact O-CB 3.1Å; Y773-F804 VanDerWaalsContact CB-CE2 3.43Å; Y773-F804 VanDerWaalsContact CB-CZ 3.48Å; Y773-F804 HydrophobicContact CD1-CE2 4.24Å; Y773-F804 HydrophobicContact CD1-CZ 4.37Å; Y773-F804 AromaticContact CD2-CD2 3.82Å; Y773-F804 HydrophobicContact CD2-CD2 3.82Å; Y773-F804 AromaticContact CD2-CE2 3.46Å; Y773-F804 HydrophobicContact CD2-CE2 3.46Å; Y773-F804 VanDerWaalsContact CD2-CE2 3.46Å; Y773-F804 HydrophobicContact CD2-CZ 4.29Å; Y773-F804 HydrophobicContact CE2-CE2 4.23Å; Y773-F804 HydrophobicContact CG-CD2 4.11Å; Y773-F804 AromaticContact CG-CE2 3.47Å; Y773-F804 HydrophobicContact CG-CE2 3.47Å; Y773-F804 VanDerWaalsContact CG-CE2 3.47Å; Y773-F804 AromaticContact CG-CZ 3.83Å; Y773-F804 HydrophobicContact CG-CZ 3.83Å; Y773-F804 PolarHBondContact N-O 2.97Å; Y773-F804 PolarHBondContact O-N 3.09Å; Y773-C829 HydrophobicContact CD1-CB 4.04Å; Y773-L830 CarbonylContact C-O 3.55Å; Y773-L830 WeakPolarHBondContact CA-O 3.5Å; Y773-M831 HydrophobicContact CD1-CG 3.75Å; Y773-M831 HydrophobicContact CD1-SD 4.13Å; Y773-M831 HydrophobicContact CE1-CG 3.8Å; Y773-M831 HydrophobicContact CE1-SD 3.54Å; Y773-M831 VanDerWaalsContact CE1-SD 3.54Å
774	I	88.8	Confident	85.6	Confident	1 Å²	1	45 Å²	45	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.2	172.6	-44	167	0	0	0	108.5	F729 L730 V733 F736 L751 F772 T776 W803 C829 L830	F729-I774 HydrophobicContact CE1-CB 4.41Å; F729-I774 HydrophobicContact CE1-CG2 3.63Å; F729-I774 HydrophobicContact CZ-CG2 3.94Å; L730-I774 HydrophobicContact CD2-CD1 3.68Å; V733-I774 HydrophobicContact CG2-CG2 4.05Å; F736-I774 HydrophobicContact CD2-CD1 4.4Å; F736-I774 HydrophobicContact CE2-CD1 3.7Å; F736-I774 HydrophobicContact CE2-CG1 4.26Å; F736-I774 HydrophobicContact CZ-CD1 4.49Å; L751-I774 HydrophobicContact CD2-CD1 4.44Å; F772-I774 HydrophobicContact CD1-CG1 4.2Å; F772-I774 HydrophobicContact CE1-CD1 4.02Å; F772-I774 HydrophobicContact CE1-CG1 3.59Å; F772-I774 HydrophobicContact CZ-CG1 4.38Å; I774-T776 PolarHBondContact O-N 2.94Å; I774-W803 HydrophobicContact CB-CB 4.4Å; I774-W803 HydrophobicContact CG1-CB 4.17Å; I774-W803 HydrophobicContact CG2-CB 4.29Å; I774-C829 WeakPolarHBondContact O-CA 3.21Å; I774-L830 HydrophobicContact CB-CB 4.48Å; I774-L830 PolarHBondContact N-O 3.48Å; I774-L830 PolarHBondContact O-N 2.91Å
775	I	87.9	Confident	85.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	119	-176	-57.6	173.8	0	0	0	109.9	F729 G777 V780 M798 T799 R800 G801 D802 F804 V827	F729-I775 VanDerWaalsContact CZ-O 3.26Å; F729-I775 WeakPolarHBondContact CZ-O 3.14Å; I775-G777 WeakPolarHBondContact CG2-O 3.36Å; I775-V780 HydrophobicContact CD1-CG1 4.3Å; I775-V780 HydrophobicContact CD1-CG2 3.71Å; I775-M798 HydrophobicContact CD1-CB 3.87Å; I775-T799 WeakPolarHBondContact CB-O 3.35Å; I775-R800 CarbonylContact O-C 3.09Å; I775-R800 WeakPolarHBondContact O-CA 3.44Å; I775-G801 PolarHBondContact O-N 3.32Å; I775-D802 HydrophobicContact CD1-CB 4.39Å; I775-D802 PolarHBondContact N-O 3.25Å; I775-F804 HydrophobicContact CD1-CD1 4.27Å; I775-F804 HydrophobicContact CD1-CE1 3.9Å; I775-F804 HydrophobicContact CG1-CD1 4.27Å; I775-F804 HydrophobicContact CG1-CE1 3.69Å; I775-V827 HydrophobicContact CG1-CG2 4.29Å; I775-V827 HydrophobicContact CG2-CG2 3.69Å
776	T	88.5	Confident	84.2	Confident	25 Å²	25	49.4 Å²	49.4	15%	0.153	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-27	173	48	0	0	0	0	113.3	F729 I774 R800 D828 L830	F729-T776 HydrophobicContact CD1-CG2 3.72Å; F729-T776 HydrophobicContact CD2-CG2 4.2Å; F729-T776 HydrophobicContact CE1-CG2 3.47Å; F729-T776 VanDerWaalsContact CE1-CG2 3.47Å; F729-T776 HydrophobicContact CE2-CG2 4Å; F729-T776 HydrophobicContact CG-CG2 4.08Å; F729-T776 HydrophobicContact CZ-CG2 3.65Å; I774-T776 PolarHBondContact O-N 2.94Å; T776-R800 VanDerWaalsContact O-CD 3.23Å; T776-R800 WeakPolarHBondContact O-CD 3.29Å; T776-R800 VanDerWaalsContact O-CG 3.3Å; T776-R800 WeakPolarHBondContact O-CG 3.18Å; T776-R800 PolarHBondContact O-NH1 2.62Å; T776-D828 PolarHBondContact N-O 3.05Å; T776-D828 VanDerWaalsContact OG1-CB 3.3Å; T776-D828 WeakPolarHBondContact OG1-CB 3.48Å; T776-D828 PolarHBondContact OG1-O 2.86Å; T776-L830 HydrophobicContact CG2-CD1 3.47Å; T776-L830 VanDerWaalsContact CG2-CD1 3.47Å; T776-L830 HydrophobicContact CG2-CD2 4.47Å; T776-L830 HydrophobicContact CG2-CG 3.55Å
777	G	87.5	Confident	82.8	Confident	12 Å²	12	50.5 Å²	50.5	12%	0.124	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	157.3	-176.1	0	0	0	0	0	111.8	I775 V827 D828	I775-G777 WeakPolarHBondContact CG2-O 3.36Å; G777-V827 WeakPolarHBondContact O-CA 3.22Å; G777-V827 WeakPolarHBondContact O-CG2 3.44Å; G777-D828 PolarHBondContact N-O 2.88Å; G777-D828 PolarHBondContact O-N 3.31Å
778	G	90.6	Very high	81.1	Confident	42 Å²	42	54.1 Å²	54.1	43%	0.433	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	73.4	-154.8	-177.3	0	0	0	0	0	114.3	G826	G778-G826 WeakPolarHBondContact CA-O 3.32Å
779	K	91.7	Very high	80	Confident	84 Å²	84	51.5 Å²	51.5	37%	0.365	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	147.1	-172.9	-178	174.6	-179.4	-175.6	0	109.6	Y797 M798 T799 M822	K779-Y797 HydrophobicContact CD-CD1 4.45Å; K779-Y797 VanDerWaalsContact CE-CD1 3.48Å; K779-Y797 HydrophobicContact CG-CD1 4.44Å; K779-M798 WeakPolarHBondContact CA-O 3.26Å; K779-M798 WeakPolarHBondContact CG-O 3.46Å; K779-T799 HydrophobicContact CD-CG2 4.35Å; K779-T799 HydrophobicContact CG-CG2 4.05Å; K779-M822 HydrophobicContact CB-CB 4.29Å; K779-M822 HydrophobicContact CG-CG 4.35Å; K779-M822 VanDerWaalsContact O-CB 3.31Å; K779-M822 WeakPolarHBondContact O-CB 3.25Å; K779-M822 PolarHBondContact O-N 3.43Å
780	V	93	Very high	79.4	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.4	174.9	-56.5	0	0	0	0	112.2	I775 Y797 M798 F804 I819 I820 V827	I775-V780 HydrophobicContact CD1-CG1 4.3Å; I775-V780 HydrophobicContact CD1-CG2 3.71Å; V780-Y797 CarbonylContact O-C 3.47Å; V780-Y797 VanDerWaalsContact O-CA 3.23Å; V780-Y797 WeakPolarHBondContact O-CA 3.43Å; V780-Y797 WeakPolarHBondContact O-CD1 3.39Å; V780-M798 HydrophobicContact CG2-CB 3.7Å; V780-M798 PolarHBondContact N-O 2.79Å; V780-M798 PolarHBondContact O-N 2.96Å; V780-F804 HydrophobicContact CG2-CE1 4.48Å; V780-I819 HydrophobicContact CB-CG2 3.73Å; V780-I819 HydrophobicContact CG1-CG2 3.96Å; V780-I819 HydrophobicContact CG2-CG2 3.73Å; V780-I820 CarbonylContact C-O 3.56Å; V780-I820 WeakPolarHBondContact CA-O 3.29Å; V780-I820 WeakPolarHBondContact CB-O 3.34Å; V780-V827 HydrophobicContact CG1-CB 3.84Å; V780-V827 HydrophobicContact CG1-CG1 3.77Å; V780-V827 HydrophobicContact CG1-CG2 3.67Å
781	K	93.3	Very high	78.8	Confident	51 Å²	51	58 Å²	58	22%	0.222	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	128.8	168.4	-174.5	-167.2	66.3	159.7	0	108.6	T783 E792 F794 Y797 I820 M822	K781-T783 HydrophobicContact CD-CG2 3.93Å; K781-T783 HydrophobicContact CG-CG2 4.19Å; K781-E792 IonicContact NZ-OE2 2.67Å; K781-E792 PolarHBondContact NZ-OE2 2.95Å; K781-E792 VanDerWaalsContact NZ-OE2 3.11Å; K781-F794 HydrophobicContact CD-CD2 4.37Å; K781-F794 HydrophobicContact CG-CD2 3.75Å; K781-F794 HydrophobicContact CG-CE2 4.01Å; K781-Y797 HydrophobicContact CB-CD1 4.18Å; K781-Y797 HydrophobicContact CB-CE1 4.02Å; K781-Y797 HydrophobicContact CG-CE1 4.13Å; K781-I820 HydrophobicContact CB-CB 4.5Å; K781-I820 VanDerWaalsContact CE-CD1 3.45Å; K781-I820 PolarHBondContact N-O 2.9Å; K781-I820 PolarHBondContact O-N 2.73Å; K781-M822 HydrophobicContact CB-CG 4.32Å; K781-M822 HydrophobicContact CB-SD 3.73Å
782	V	90.7	Very high	78.4	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.024	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.5	171.8	-171.7	0	0	0	0	108.6	I795 R796 M798 A817 N818 I819	V782-I795 HydrophobicContact CB-CB 4.32Å; V782-I795 HydrophobicContact CG1-CB 4.16Å; V782-I795 HydrophobicContact CG1-CD1 4.3Å; V782-I795 PolarHBondContact O-N 3Å; V782-R796 HydrophobicContact CB-CG 4.02Å; V782-R796 WeakPolarHBondContact CB-O 3.42Å; V782-R796 HydrophobicContact CG2-CG 3.77Å; V782-R796 PolarHBondContact N-O 2.91Å; V782-M798 HydrophobicContact CG2-CG 3.99Å; V782-M798 HydrophobicContact CG2-SD 3.63Å; V782-A817 HydrophobicContact CG1-CB 4.09Å; V782-N818 WeakPolarHBondContact CA-O 3.43Å; V782-I819 HydrophobicContact CB-CD1 4.3Å; V782-I819 HydrophobicContact CG1-CD1 3.99Å; V782-I819 HydrophobicContact CG2-CD1 3.78Å
783	T	89.6	Confident	78.1	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.012	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	157	174.8	40.8	0	0	0	0	111	K781 E792 Q793 A817 N818	K781-T783 HydrophobicContact CD-CG2 3.93Å; K781-T783 HydrophobicContact CG-CG2 4.19Å; T783-E792 WeakPolarHBondContact CB-OE2 3.46Å; T783-E792 HydrophobicContact CG2-CB 4.19Å; T783-E792 WeakPolarHBondContact CG2-OE2 3.48Å; T783-E792 PolarHBondContact OG1-OE1 3.37Å; T783-E792 PolarHBondContact OG1-OE2 2.92Å; T783-E792 VanDerWaalsContact OG1-OE2 3.06Å; T783-Q793 CarbonylContact C-O 3.52Å; T783-Q793 VanDerWaalsContact CA-O 3.27Å; T783-Q793 WeakPolarHBondContact CA-O 3.42Å; T783-A817 WeakPolarHBondContact O-CB 3.31Å; T783-N818 PolarHBondContact N-O 2.93Å; T783-N818 VanDerWaalsContact N-O 3.14Å; T783-N818 PolarHBondContact O-N 2.72Å; T783-N818 WeakPolarHBondContact OG1-CB 3.33Å
784	K	83.3	Confident	78.1	Confident	77 Å²	77	69 Å²	69	34%	0.335	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	141.7	175.3	-170	-176.6	171.2	65.7	0	110.3	E765 Q793 I795 T816 A817	E765-K784 WeakPolarHBondContact OE1-CG 3.48Å; E765-K784 IonicContact OE1-NZ 2.7Å; E765-K784 PolarHBondContact OE1-NZ 2.98Å; E765-K784 WeakPolarHBondContact OE2-CA 3.48Å; E765-K784 WeakPolarHBondContact OE2-CG 3.44Å; K784-Q793 PolarHBondContact N-O 3.18Å; K784-Q793 PolarHBondContact O-N 3.35Å; K784-I795 HydrophobicContact CB-CD1 3.65Å; K784-I795 HydrophobicContact CB-CG1 4.38Å; K784-I795 HydrophobicContact CD-CD1 4.41Å; K784-T816 PolarHBondContact NZ-O 3.17Å; K784-A817 HydrophobicContact CB-CB 4.5Å
785	N	78.8	Confident	77.7	Confident	60 Å²	60	72.8 Å²	72.8	32%	0.321	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	125.4	173	-67.5	-58.2	0	0	0	110.3	E765	E765-N785 PolarHBondContact OE2-N 3.13Å
786	R	66.9	Low	77.4	Confident	194 Å²	194	78.6 Å²	78.6	73%	0.732	41%	0.412	S	S	*	.			trans	-84.4	117.5	163.6	-81.6	-172.8	168	-148.7	-3.9	108	N788	R786-N788 PolarHBondContact O-N 3.28Å
787	G	51.9	Low	77.4	Confident	77 Å²	77	82.5 Å²	82.5	79%	0.794	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	81.8	-168.8	0	0	0	0	0	115
788	N	47.6	Very low	77.2	Confident	170 Å²	170	82.4 Å²	82.4	91%	0.909	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-165.1	-15.2	152.4	-97.7	-21.9	0	0	0	112.8	R786	R786-N788 PolarHBondContact O-N 3.28Å
789	E	52.9	Low	77.2	Confident	137 Å²	137	83.5 Å²	83.5	64%	0.64	42%	0.419	S	S	*	.	S	Bend	trans	-136.2	151.4	172.6	-64.9	-174.8	163.8	0	0	111.2	N791	E789-N791 PolarHBondContact O-N 2.94Å; E789-N791 PolarHBondContact OE2-ND2 3.47Å
790	C	54.3	Low	77	Confident	131 Å²	131	87.2 Å²	87.2	89%	0.885	43%	0.431	S	S	*	.			trans	-76.4	33.7	179.2	-61	0	0	0	0	113.9
791	N	63	Low	76.4	Confident	110 Å²	110	87.9 Å²	87.9	59%	0.588	44%	0.438	S	S	*	.			trans	-95.9	98.1	-178.2	-76.8	-42.3	0	0	0	109.7	E789 Q793	E789-N791 PolarHBondContact O-N 2.94Å; E789-N791 PolarHBondContact OE2-ND2 3.47Å; N791-Q793 PolarHBondContact O-N 3.49Å
792	E	74.1	Confident	75.8	Confident	62 Å²	62	88.4 Å²	88.4	29%	0.29	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	108.8	174.4	-83.4	-147.5	136.3	0	0	110.8	K781 T783 N818	K781-E792 IonicContact NZ-OE2 2.67Å; K781-E792 PolarHBondContact NZ-OE2 2.95Å; K781-E792 VanDerWaalsContact NZ-OE2 3.11Å; T783-E792 WeakPolarHBondContact CB-OE2 3.46Å; T783-E792 HydrophobicContact CG2-CB 4.19Å; T783-E792 WeakPolarHBondContact CG2-OE2 3.48Å; T783-E792 PolarHBondContact OG1-OE1 3.37Å; T783-E792 PolarHBondContact OG1-OE2 2.92Å; T783-E792 VanDerWaalsContact OG1-OE2 3.06Å; E792-N818 PolarHBondContact OE1-ND2 3.01Å
793	Q	78	Confident	75.6	Confident	105 Å²	105	91.8 Å²	91.8	49%	0.491	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	122.1	176.6	-164.3	167.4	35.8	0	0	110.1	T783 K784 N791	T783-Q793 CarbonylContact C-O 3.52Å; T783-Q793 VanDerWaalsContact CA-O 3.27Å; T783-Q793 WeakPolarHBondContact CA-O 3.42Å; K784-Q793 PolarHBondContact N-O 3.18Å; K784-Q793 PolarHBondContact O-N 3.35Å; N791-Q793 PolarHBondContact O-N 3.49Å
794	F	87.5	Confident	75.4	Confident	104 Å²	104	92 Å²	92	46%	0.456	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	131.6	171.8	172.1	-101.6	0	0	0	111	K781 R796 Y797	K781-F794 HydrophobicContact CD-CD2 4.37Å; K781-F794 HydrophobicContact CG-CD2 3.75Å; K781-F794 HydrophobicContact CG-CE2 4.01Å; F794-R796 VanDerWaalsContact CE2-O 3.27Å; F794-R796 WeakPolarHBondContact CE2-O 3.24Å; F794-R796 VanDerWaalsContact CZ-CA 3.46Å; F794-Y797 HydrophobicContact CE2-CD1 4.09Å; F794-Y797 AromaticContact CE2-CD2 3.93Å; F794-Y797 HydrophobicContact CE2-CD2 3.93Å; F794-Y797 AromaticContact CE2-CE1 3.95Å; F794-Y797 HydrophobicContact CE2-CE1 3.95Å; F794-Y797 AromaticContact CE2-CE2 3.78Å; F794-Y797 HydrophobicContact CE2-CE2 3.78Å; F794-Y797 HydrophobicContact CE2-CG 4.08Å; F794-Y797 AromaticContact CE2-CZ 3.78Å; F794-Y797 AromaticContact CZ-CD2 3.62Å; F794-Y797 HydrophobicContact CZ-CD2 3.62Å; F794-Y797 AromaticContact CZ-CE2 3.58Å; F794-Y797 HydrophobicContact CZ-CE2 3.58Å; F794-Y797 HydrophobicContact CZ-CG 4.15Å
795	I	81.7	Confident	75.2	Confident	81 Å²	81	88.9 Å²	88.9	42%	0.415	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-57.3	175.6	-62.4	-178	0	0	0	110.5	V782 K784	V782-I795 HydrophobicContact CB-CB 4.32Å; V782-I795 HydrophobicContact CG1-CB 4.16Å; V782-I795 HydrophobicContact CG1-CD1 4.3Å; V782-I795 PolarHBondContact O-N 3Å; K784-I795 HydrophobicContact CB-CD1 3.65Å; K784-I795 HydrophobicContact CB-CG1 4.38Å; K784-I795 HydrophobicContact CD-CD1 4.41Å
796	R	81	Confident	75.1	Confident	122 Å²	122	88.1 Å²	88.1	46%	0.46	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	171	-176.4	64.3	178	178.6	-95.5	0.3	111.4	V782 F794 M798	V782-R796 HydrophobicContact CB-CG 4.02Å; V782-R796 WeakPolarHBondContact CB-O 3.42Å; V782-R796 HydrophobicContact CG2-CG 3.77Å; V782-R796 PolarHBondContact N-O 2.91Å; F794-R796 VanDerWaalsContact CE2-O 3.27Å; F794-R796 WeakPolarHBondContact CE2-O 3.24Å; F794-R796 VanDerWaalsContact CZ-CA 3.46Å; R796-M798 HydrophobicContact CG-CG 4.24Å; R796-M798 PolarHBondContact NE-SD 2.97Å; R796-M798 PolarHBondContact NH2-SD 3.19Å; R796-M798 VanDerWaalsContact NH2-SD 3.43Å
797	Y	88.1	Confident	75.2	Confident	107 Å²	107	83.7 Å²	83.7	42%	0.42	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	158.2	157.6	-64	-72.1	0	0	0	110.7	K779 V780 K781 F794 M822	K779-Y797 HydrophobicContact CD-CD1 4.45Å; K779-Y797 VanDerWaalsContact CE-CD1 3.48Å; K779-Y797 HydrophobicContact CG-CD1 4.44Å; V780-Y797 CarbonylContact O-C 3.47Å; V780-Y797 VanDerWaalsContact O-CA 3.23Å; V780-Y797 WeakPolarHBondContact O-CA 3.43Å; V780-Y797 WeakPolarHBondContact O-CD1 3.39Å; K781-Y797 HydrophobicContact CB-CD1 4.18Å; K781-Y797 HydrophobicContact CB-CE1 4.02Å; K781-Y797 HydrophobicContact CG-CE1 4.13Å; F794-Y797 HydrophobicContact CE2-CD1 4.09Å; F794-Y797 AromaticContact CE2-CD2 3.93Å; F794-Y797 HydrophobicContact CE2-CD2 3.93Å; F794-Y797 AromaticContact CE2-CE1 3.95Å; F794-Y797 HydrophobicContact CE2-CE1 3.95Å; F794-Y797 AromaticContact CE2-CE2 3.78Å; F794-Y797 HydrophobicContact CE2-CE2 3.78Å; F794-Y797 HydrophobicContact CE2-CG 4.08Å; F794-Y797 AromaticContact CE2-CZ 3.78Å; F794-Y797 AromaticContact CZ-CD2 3.62Å; F794-Y797 HydrophobicContact CZ-CD2 3.62Å; F794-Y797 AromaticContact CZ-CE2 3.58Å; F794-Y797 HydrophobicContact CZ-CE2 3.58Å; F794-Y797 HydrophobicContact CZ-CG 4.15Å; Y797-M822 HydrophobicContact CD1-CG 4.42Å; Y797-M822 HydrophobicContact CE1-CE 4.07Å; Y797-M822 HydrophobicContact CE1-CG 4.3Å; Y797-M822 HydrophobicContact CE1-SD 3.96Å
798	M	83.9	Confident	75.9	Confident	11 Å²	11	80.1 Å²	80.1	5%	0.054	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	153.3	168.4	-62	171.6	68.9	0	0	109.3	I775 K779 V780 V782 R796 D802 W803 F804	I775-M798 HydrophobicContact CD1-CB 3.87Å; K779-M798 WeakPolarHBondContact CA-O 3.26Å; K779-M798 WeakPolarHBondContact CG-O 3.46Å; V780-M798 HydrophobicContact CG2-CB 3.7Å; V780-M798 PolarHBondContact N-O 2.79Å; V780-M798 PolarHBondContact O-N 2.96Å; V782-M798 HydrophobicContact CG2-CG 3.99Å; V782-M798 HydrophobicContact CG2-SD 3.63Å; R796-M798 HydrophobicContact CG-CG 4.24Å; R796-M798 PolarHBondContact NE-SD 2.97Å; R796-M798 PolarHBondContact NH2-SD 3.19Å; R796-M798 VanDerWaalsContact NH2-SD 3.43Å; M798-D802 HydrophobicContact CB-CB 3.92Å; M798-D802 HydrophobicContact CE-CB 3.82Å; M798-D802 HydrophobicContact CG-CB 4.49Å; M798-W803 WeakPolarHBondContact CE-O 3.43Å; M798-F804 HydrophobicContact CE-CB 4.08Å; M798-F804 HydrophobicContact CE-CD1 4.37Å
799	T	90.1	Very high	76.8	Confident	64 Å²	64	72.3 Å²	72.3	39%	0.393	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	177.4	-161.1	53.8	0	0	0	0	111.8	I775 K779 G801 D802	I775-T799 WeakPolarHBondContact CB-O 3.35Å; K779-T799 HydrophobicContact CD-CG2 4.35Å; K779-T799 HydrophobicContact CG-CG2 4.05Å; T799-G801 PolarHBondContact O-N 3.39Å; T799-G801 VanDerWaalsContact O-N 3.17Å; T799-D802 PolarHBondContact N-OD2 3.36Å; T799-D802 VanDerWaalsContact O-CB 3.26Å; T799-D802 WeakPolarHBondContact O-CB 3.23Å; T799-D802 PolarHBondContact O-N 3.09Å; T799-D802 PolarHBondContact OG1-OD2 3.18Å
800	R	88.4	Confident	77.3	Confident	162 Å²	162	68 Å²	68	61%	0.611	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	121.2	178.5	175.9	179.3	173.9	115.1	-8.3	112.2	F729 I775 T776	F729-R800 HydrophobicContact CE2-CG 4.12Å; I775-R800 CarbonylContact O-C 3.09Å; I775-R800 WeakPolarHBondContact O-CA 3.44Å; T776-R800 VanDerWaalsContact O-CD 3.23Å; T776-R800 WeakPolarHBondContact O-CD 3.29Å; T776-R800 VanDerWaalsContact O-CG 3.3Å; T776-R800 WeakPolarHBondContact O-CG 3.18Å; T776-R800 PolarHBondContact O-NH1 2.62Å
801	G	78.7	Confident	77.4	Confident	14 Å²	14	68.5 Å²	68.5	14%	0.144	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.8	-20.9	-177.7	0	0	0	0	0	113.9	V733 I775 T799	V733-G801 WeakPolarHBondContact CG1-O 3.3Å; I775-G801 PolarHBondContact O-N 3.32Å; T799-G801 PolarHBondContact O-N 3.39Å; T799-G801 VanDerWaalsContact O-N 3.17Å
802	D	81.9	Confident	77.3	Confident	62 Å²	62	68.6 Å²	68.6	33%	0.332	32%	0.321	S	S	.	.			trans	-73.9	154.6	170.5	-61.5	-53.4	0	0	0	111	I775 M798 T799	I775-D802 HydrophobicContact CD1-CB 4.39Å; I775-D802 PolarHBondContact N-O 3.25Å; M798-D802 HydrophobicContact CB-CB 3.92Å; M798-D802 HydrophobicContact CE-CB 3.82Å; M798-D802 HydrophobicContact CG-CB 4.49Å; T799-D802 PolarHBondContact N-OD2 3.36Å; T799-D802 VanDerWaalsContact O-CB 3.26Å; T799-D802 WeakPolarHBondContact O-CB 3.23Å; T799-D802 PolarHBondContact O-N 3.09Å; T799-D802 PolarHBondContact OG1-OD2 3.18Å
803	W	86.3	Confident	77.1	Confident	76 Å²	76	68.1 Å²	68.1	29%	0.288	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.1	-178.8	53.2	-99.7	0	0	0	111.5	T735 F772 Y773 I774 M798 E806	T735-W803 HydrophobicContact CG2-CZ2 4.02Å; T735-W803 PolarHBondContact OG1-NE1 2.95Å; F772-W803 HydrophobicContact CE1-CB 4.37Å; F772-W803 HydrophobicContact CE2-CB 4.27Å; F772-W803 HydrophobicContact CE2-CD2 4Å; F772-W803 AromaticContact CE2-CE3 3.46Å; F772-W803 HydrophobicContact CE2-CE3 3.46Å; F772-W803 VanDerWaalsContact CE2-CE3 3.46Å; F772-W803 HydrophobicContact CE2-CG 4.37Å; F772-W803 HydrophobicContact CE2-CZ3 4.1Å; F772-W803 HydrophobicContact CZ-CB 3.73Å; F772-W803 AromaticContact CZ-CD2 3.86Å; F772-W803 HydrophobicContact CZ-CD2 3.86Å; F772-W803 AromaticContact CZ-CE3 3.83Å; F772-W803 HydrophobicContact CZ-CE3 3.83Å; F772-W803 AromaticContact CZ-CG 3.86Å; F772-W803 HydrophobicContact CZ-CG 3.86Å; Y773-W803 CarbonylContact O-C 2.97Å; Y773-W803 WeakPolarHBondContact O-CA 3.39Å; Y773-W803 WeakPolarHBondContact O-CB 3.1Å; I774-W803 HydrophobicContact CB-CB 4.4Å; I774-W803 HydrophobicContact CG1-CB 4.17Å; I774-W803 HydrophobicContact CG2-CB 4.29Å; M798-W803 WeakPolarHBondContact CE-O 3.43Å; W803-E806 HydrophobicContact CZ3-CB 4.02Å; W803-E806 HydrophobicContact CZ3-CG 3.76Å
804	F	86.2	Confident	77.1	Confident	6 Å²	6	65.7 Å²	65.7	3%	0.026	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	164.3	-175	59	-96	0	0	0	113.6	V762 I763 Y773 I775 V780 M798 I819	V762-F804 HydrophobicContact CB-CE2 4.44Å; V762-F804 HydrophobicContact CB-CZ 4.38Å; V762-F804 HydrophobicContact CG1-CE2 3.88Å; V762-F804 HydrophobicContact CG1-CZ 3.83Å; I763-F804 HydrophobicContact CD1-CD2 3.59Å; I763-F804 HydrophobicContact CD1-CE2 3.73Å; I763-F804 HydrophobicContact CG1-CE2 4.2Å; Y773-F804 VanDerWaalsContact CB-CE2 3.43Å; Y773-F804 VanDerWaalsContact CB-CZ 3.48Å; Y773-F804 HydrophobicContact CD1-CE2 4.24Å; Y773-F804 HydrophobicContact CD1-CZ 4.37Å; Y773-F804 AromaticContact CD2-CD2 3.82Å; Y773-F804 HydrophobicContact CD2-CD2 3.82Å; Y773-F804 AromaticContact CD2-CE2 3.46Å; Y773-F804 HydrophobicContact CD2-CE2 3.46Å; Y773-F804 VanDerWaalsContact CD2-CE2 3.46Å; Y773-F804 HydrophobicContact CD2-CZ 4.29Å; Y773-F804 HydrophobicContact CE2-CE2 4.23Å; Y773-F804 HydrophobicContact CG-CD2 4.11Å; Y773-F804 AromaticContact CG-CE2 3.47Å; Y773-F804 HydrophobicContact CG-CE2 3.47Å; Y773-F804 VanDerWaalsContact CG-CE2 3.47Å; Y773-F804 AromaticContact CG-CZ 3.83Å; Y773-F804 HydrophobicContact CG-CZ 3.83Å; Y773-F804 PolarHBondContact N-O 2.97Å; Y773-F804 PolarHBondContact O-N 3.09Å; I775-F804 HydrophobicContact CD1-CD1 4.27Å; I775-F804 HydrophobicContact CD1-CE1 3.9Å; I775-F804 HydrophobicContact CG1-CD1 4.27Å; I775-F804 HydrophobicContact CG1-CE1 3.69Å; V780-F804 HydrophobicContact CG2-CE1 4.48Å; M798-F804 HydrophobicContact CE-CB 4.08Å; M798-F804 HydrophobicContact CE-CD1 4.37Å; F804-I819 HydrophobicContact CD2-CD1 4.35Å; F804-I819 HydrophobicContact CD2-CG1 3.86Å; F804-I819 HydrophobicContact CD2-CG2 4.33Å; F804-I819 HydrophobicContact CE1-CG2 4.09Å; F804-I819 HydrophobicContact CE2-CB 4.21Å; F804-I819 HydrophobicContact CE2-CG1 4.04Å; F804-I819 HydrophobicContact CE2-CG2 3.85Å; F804-I819 HydrophobicContact CG-CD1 4.39Å; F804-I819 HydrophobicContact CG-CG1 4.38Å; F804-I819 HydrophobicContact CZ-CG2 3.72Å
805	G	79.2	Confident	76.9	Confident	11 Å²	11	61.5 Å²	61.5	11%	0.113	29%	0.294	C	S	.	.			trans	100.7	2.3	173.5	0	0	0	0	0	114.1	K807 R815	G805-K807 PolarHBondContact O-N 3.34Å; G805-R815 PolarHBondContact O-NH1 3.35Å; G805-R815 VanDerWaalsContact O-NH1 3.1Å
806	E	75.6	Confident	76.9	Confident	45 Å²	45	59.6 Å²	59.6	21%	0.21	29%	0.287	C	S	.	.			trans	-59	-39.9	-179.6	78.3	-66.5	172.4	0	0	113.9	F772 W803 A808 L809 T810	F772-E806 HydrophobicContact CD2-CB 4.17Å; F772-E806 HydrophobicContact CE2-CB 4.19Å; W803-E806 HydrophobicContact CZ3-CB 4.02Å; W803-E806 HydrophobicContact CZ3-CG 3.76Å; E806-A808 VanDerWaalsContact C-N 3.28Å; E806-A808 PolarHBondContact O-N 3.24Å; E806-L809 CarbonylContact O-C 3.55Å; E806-L809 WeakPolarHBondContact O-CA 3.46Å; E806-L809 WeakPolarHBondContact O-CB 3.44Å; E806-L809 PolarHBondContact O-N 3.19Å; E806-T810 PolarHBondContact O-N 2.7Å
807	K	68.5	Low	77.1	Confident	101 Å²	101	54.5 Å²	54.5	44%	0.439	27%	0.271	S	S	.	.	H	α-helix	trans	-63.9	-34.6	-172	-54.7	-155.2	171.1	-156.8	0	113.5	G805 L809 T810 D811 E812 T816	G805-K807 PolarHBondContact O-N 3.34Å; K807-L809 PolarHBondContact O-N 3.1Å; K807-T810 PolarHBondContact O-N 3.41Å; K807-T810 PolarHBondContact O-OG1 3.48Å; K807-D811 PolarHBondContact O-N 2.66Å; K807-E812 PolarHBondContact O-N 2.75Å; K807-T816 HydrophobicContact CB-CG2 4.27Å
808	A	66.9	Low	77.3	Confident	2 Å²	2	49.8 Å²	49.8	2%	0.017	25%	0.253	C	S	.	.	H	α-helix	trans	-70.3	-11.8	174.4	0	0	0	0	0	112.5	E806 V814 R834	E806-A808 VanDerWaalsContact C-N 3.28Å; E806-A808 PolarHBondContact O-N 3.24Å; A808-V814 VanDerWaalsContact CB-O 3.29Å; A808-V814 WeakPolarHBondContact CB-O 3.38Å; A808-R834 PolarHBondContact O-NH2 2.91Å
809	L	65.8	Low	77.7	Confident	6 Å²	6	49.7 Å²	49.7	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-105.4	-20.5	179	-49.4	-177.1	0	0	0	112.9	G769 F772 E806 K807 R834 Y837 K842	G769-L809 WeakPolarHBondContact O-CD2 3.24Å; F772-L809 HydrophobicContact CB-CD1 3.71Å; E806-L809 CarbonylContact O-C 3.55Å; E806-L809 WeakPolarHBondContact O-CA 3.46Å; E806-L809 WeakPolarHBondContact O-CB 3.44Å; E806-L809 PolarHBondContact O-N 3.19Å; K807-L809 PolarHBondContact O-N 3.1Å; L809-R834 HydrophobicContact CD2-CB 3.79Å; L809-R834 HydrophobicContact CD2-CG 3.98Å; L809-Y837 HydrophobicContact CB-CD1 3.88Å; L809-Y837 HydrophobicContact CB-CE1 4.09Å; L809-Y837 HydrophobicContact CD1-CD1 3.61Å; L809-Y837 HydrophobicContact CD1-CD2 4.15Å; L809-Y837 HydrophobicContact CD1-CE1 4.24Å; L809-Y837 HydrophobicContact CD1-CG 3.57Å; L809-Y837 HydrophobicContact CG-CD1 4.41Å; L809-K842 PolarHBondContact O-NZ 2.92Å
810	T	63.3	Low	77.9	Confident	45 Å²	45	46.9 Å²	46.9	28%	0.276	24%	0.235	S	C	.	.	H	α-helix	trans	-83.6	-58.3	177.1	59.2	0	0	0	0	111.9	E806 K807 K842	E806-T810 PolarHBondContact O-N 2.7Å; K807-T810 PolarHBondContact O-N 3.41Å; K807-T810 PolarHBondContact O-OG1 3.48Å; T810-K842 PolarHBondContact O-NZ 3.2Å
811	D	58.2	Low	78.2	Confident	143 Å²	143	39.1 Å²	39.1	77%	0.765	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-140.3	-37.2	-161.8	-50.7	-74.2	0	0	0	115.7	K807	K807-D811 PolarHBondContact O-N 2.66Å
812	E	60.4	Low	78.9	Confident	111 Å²	111	40.6 Å²	40.6	52%	0.519	21%	0.209	S	C	.	.			trans	-95.7	-13.5	-164.1	-72.7	-176	-136	0	0	115.7	K807 V814 T816	K807-E812 PolarHBondContact O-N 2.75Å; E812-V814 HydrophobicContact CB-CG2 4.48Å; E812-V814 PolarHBondContact O-N 2.69Å; E812-T816 WeakPolarHBondContact OE2-CG2 3.37Å
813	D	69.5	Low	79.2	Confident	52 Å²	52	40.6 Å²	40.6	28%	0.278	21%	0.213	S	C	.	.	S	Bend	trans	63.2	-24.3	-174.9	-135.4	42	0	0	0	115.3	R768 G769 R834	R768-D813 WeakPolarHBondContact CA-O 3.25Å; R768-D813 IonicContact CZ-OD2 3.11Å; R768-D813 IonicContact NE-OD2 2.87Å; R768-D813 PolarHBondContact NE-OD2 2.83Å; R768-D813 IonicContact NH2-OD2 3.99Å; R768-D813 PolarHBondContact NH2-OD2 3.17Å; G769-D813 PolarHBondContact N-O 2.78Å; D813-R834 IonicContact OD1-CZ 3.52Å; D813-R834 VanDerWaalsContact OD1-CZ 3.24Å; D813-R834 IonicContact OD1-NH1 2.72Å; D813-R834 PolarHBondContact OD1-NH1 2.93Å; D813-R834 IonicContact OD1-NH2 3.59Å; D813-R834 PolarHBondContact OD1-NH2 3.26Å
814	V	78.9	Confident	79.3	Confident	55 Å²	55	43 Å²	43	33%	0.333	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-110.1	161	180	-63.3	0	0	0	0	113.7	E767 R768 A808 E812	E767-V814 CarbonylContact O-C 3.53Å; E767-V814 VanDerWaalsContact O-CA 3.24Å; E767-V814 WeakPolarHBondContact O-CA 3.49Å; R768-V814 HydrophobicContact CG-CG1 4.26Å; A808-V814 VanDerWaalsContact CB-O 3.29Å; A808-V814 WeakPolarHBondContact CB-O 3.38Å; E812-V814 HydrophobicContact CB-CG2 4.48Å; E812-V814 PolarHBondContact O-N 2.69Å
815	R	82.3	Confident	79.2	Confident	15 Å²	15	52.4 Å²	52.4	6%	0.057	27%	0.273	C	S	.	.			trans	-84.3	124.1	-179.2	-63.2	-65.1	-160.1	-165.3	3.1	110.7	I763 R764 E765 G766 E767 G769 T771 G805	I763-R815 HydrophobicContact CG2-CB 3.62Å; I763-R815 HydrophobicContact CG2-CG 3.6Å; R764-R815 WeakPolarHBondContact O-CB 3.27Å; E765-R815 WeakPolarHBondContact CA-O 3.48Å; G766-R815 PolarHBondContact N-O 3.5Å; E767-R815 HydrophobicContact CB-CG 4.27Å; E767-R815 WeakPolarHBondContact O-CB 3.48Å; E767-R815 VanDerWaalsContact O-CG 3.3Å; E767-R815 WeakPolarHBondContact O-CG 3.38Å; E767-R815 PolarHBondContact O-N 3.27Å; G769-R815 VanDerWaalsContact CA-CZ 3.42Å; G769-R815 VanDerWaalsContact CA-NE 3.31Å; T771-R815 VanDerWaalsContact O-CZ 3.3Å; T771-R815 PolarHBondContact O-NH1 3.28Å; T771-R815 PolarHBondContact O-NH2 3.47Å; G805-R815 PolarHBondContact O-NH1 3.35Å; G805-R815 VanDerWaalsContact O-NH1 3.1Å
816	T	81.7	Confident	79.7	Confident	41 Å²	41	51.9 Å²	51.9	25%	0.252	27%	0.268	S	S	.	.			trans	-93.5	3.1	-168.7	67.1	0	0	0	0	115.2	K784 K807 E812	K784-T816 PolarHBondContact NZ-O 3.17Å; K807-T816 HydrophobicContact CB-CG2 4.27Å; E812-T816 WeakPolarHBondContact OE2-CG2 3.37Å
817	A	85.8	Confident	80.6	Confident	15 Å²	15	49.8 Å²	49.8	12%	0.124	26%	0.258	C	S	.	.	S	Bend	trans	-166.9	157.6	-179.2	0	0	0	0	0	109.6	I763 V782 T783 K784	I763-A817 WeakPolarHBondContact CG2-O 3.47Å; V782-A817 HydrophobicContact CG1-CB 4.09Å; T783-A817 WeakPolarHBondContact O-CB 3.31Å; K784-A817 HydrophobicContact CB-CB 4.5Å
818	N	91	Very high	81.7	Confident	9 Å²	9	48 Å²	48	5%	0.048	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	143.4	167.6	-66.2	-43.7	0	0	0	110.2	Y761 I763 R764 E765 V782 T783 E792 I820	Y761-N818 HydrophobicContact CD1-CB 4.22Å; Y761-N818 HydrophobicContact CE1-CB 4.08Å; I763-N818 WeakPolarHBondContact O-CA 3.46Å; R764-N818 VanDerWaalsContact CA-OD1 3.25Å; R764-N818 WeakPolarHBondContact CA-OD1 3.3Å; E765-N818 PolarHBondContact N-OD1 3.26Å; V782-N818 WeakPolarHBondContact CA-O 3.43Å; T783-N818 PolarHBondContact N-O 2.93Å; T783-N818 VanDerWaalsContact N-O 3.14Å; T783-N818 PolarHBondContact O-N 2.72Å; T783-N818 WeakPolarHBondContact OG1-CB 3.33Å; E792-N818 PolarHBondContact OE1-ND2 3.01Å; N818-I820 HydrophobicContact CB-CD1 4.44Å; N818-I820 HydrophobicContact CB-CG1 4.5Å
819	I	93	Very high	82.8	Confident	9 Å²	9	48 Å²	48	5%	0.046	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	116.2	170	-53.3	-67.4	0	0	0	108	Y761 V762 I763 V780 V782 F804	Y761-I819 CarbonylContact C-O 3.37Å; Y761-I819 WeakPolarHBondContact CA-O 3.25Å; V762-I819 HydrophobicContact CB-CB 4.3Å; V762-I819 HydrophobicContact CB-CG2 4.14Å; V762-I819 HydrophobicContact CG2-CG2 4.28Å; V762-I819 PolarHBondContact N-O 2.99Å; I763-I819 HydrophobicContact CB-CB 4.03Å; I763-I819 HydrophobicContact CB-CG1 3.93Å; I763-I819 HydrophobicContact CD1-CG1 4.09Å; I763-I819 HydrophobicContact CG1-CG1 4.32Å; I763-I819 PolarHBondContact N-O 3.09Å; I763-I819 PolarHBondContact O-N 2.79Å; V780-I819 HydrophobicContact CB-CG2 3.73Å; V780-I819 HydrophobicContact CG1-CG2 3.96Å; V780-I819 HydrophobicContact CG2-CG2 3.73Å; V782-I819 HydrophobicContact CB-CD1 4.3Å; V782-I819 HydrophobicContact CG1-CD1 3.99Å; V782-I819 HydrophobicContact CG2-CD1 3.78Å; F804-I819 HydrophobicContact CD2-CD1 4.35Å; F804-I819 HydrophobicContact CD2-CG1 3.86Å; F804-I819 HydrophobicContact CD2-CG2 4.33Å; F804-I819 HydrophobicContact CE1-CG2 4.09Å; F804-I819 HydrophobicContact CE2-CB 4.21Å; F804-I819 HydrophobicContact CE2-CG1 4.04Å; F804-I819 HydrophobicContact CE2-CG2 3.85Å; F804-I819 HydrophobicContact CG-CD1 4.39Å; F804-I819 HydrophobicContact CG-CG1 4.38Å; F804-I819 HydrophobicContact CZ-CG2 3.72Å
820	I	93.9	Very high	83.8	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	129.1	-171.9	-58.8	162.7	0	0	0	109.7	E760 Y761 V780 K781 N818	E760-I820 CarbonylContact O-C 3.54Å; E760-I820 WeakPolarHBondContact O-CA 3.42Å; Y761-I820 HydrophobicContact CD1-CD1 4.15Å; Y761-I820 HydrophobicContact CD1-CG1 3.66Å; Y761-I820 HydrophobicContact CD2-CG1 4.07Å; Y761-I820 HydrophobicContact CE1-CD1 3.57Å; Y761-I820 HydrophobicContact CE1-CG1 3.63Å; Y761-I820 HydrophobicContact CE2-CD1 4.08Å; Y761-I820 HydrophobicContact CE2-CG1 4.03Å; Y761-I820 HydrophobicContact CG-CG1 3.9Å; V780-I820 CarbonylContact C-O 3.56Å; V780-I820 WeakPolarHBondContact CA-O 3.29Å; V780-I820 WeakPolarHBondContact CB-O 3.34Å; K781-I820 HydrophobicContact CB-CB 4.5Å; K781-I820 VanDerWaalsContact CE-CD1 3.45Å; K781-I820 PolarHBondContact N-O 2.9Å; K781-I820 PolarHBondContact O-N 2.73Å; N818-I820 HydrophobicContact CB-CD1 4.44Å; N818-I820 HydrophobicContact CB-CG1 4.5Å
821	A	94.9	Very high	84.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	138.1	178.4	0	0	0	0	0	111.6	E757 D759 E760 V827	E757-A821 VanDerWaalsContact O-CB 3.24Å; E757-A821 WeakPolarHBondContact O-CB 3.38Å; D759-A821 WeakPolarHBondContact CA-O 3.38Å; D759-A821 PolarHBondContact N-O 3.27Å; E760-A821 PolarHBondContact O-N 3.27Å; A821-V827 HydrophobicContact CB-CB 4.35Å; A821-V827 HydrophobicContact CB-CG1 3.73Å
822	M	93.9	Very high	86	Confident	45 Å²	45	40.7 Å²	40.7	22%	0.222	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-98.7	142.8	-174.6	-71.2	-66.2	-59.3	0	0	113.6	K779 K781 Y797 G826	K779-M822 HydrophobicContact CB-CB 4.29Å; K779-M822 HydrophobicContact CG-CG 4.35Å; K779-M822 VanDerWaalsContact O-CB 3.31Å; K779-M822 WeakPolarHBondContact O-CB 3.25Å; K779-M822 PolarHBondContact O-N 3.43Å; K781-M822 HydrophobicContact CB-CG 4.32Å; K781-M822 HydrophobicContact CB-SD 3.73Å; Y797-M822 HydrophobicContact CD1-CG 4.42Å; Y797-M822 HydrophobicContact CE1-CE 4.07Å; Y797-M822 HydrophobicContact CE1-CG 4.3Å; Y797-M822 HydrophobicContact CE1-SD 3.96Å; M822-G826 WeakPolarHBondContact O-CA 3.32Å; M822-G826 PolarHBondContact O-N 3.47Å
823	P	89.1	Confident	86.8	Confident	62 Å²	62	37.7 Å²	37.7	40%	0.403	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	154.4	161	-23.3	31.5	0	0	0	112.6	P758	P758-P823 HydrophobicContact CB-CB 4.37Å; P758-P823 HydrophobicContact CB-CG 4.04Å
824	P	86.7	Confident	87.1	Confident	125 Å²	125	38.6 Å²	38.6	81%	0.812	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	cis	-99.3	10.6	5.9	37.8	-34.2	0	0	0	114.5
825	R	85.3	Confident	86.5	Confident	204 Å²	204	39.2 Å²	39.2	77%	0.77	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-137.9	10.7	-175.1	-59.7	-171.1	-171.3	178.2	3	115.1	H755	H755-R825 PolarHBondContact CE1-O 2.82Å; H755-R825 PolarHBondContact NE2-O 3.1Å
826	G	90	Very high	86	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.01	20%	0.198	C	C	.	.			trans	67.5	-144.3	-177.3	0	0	0	0	0	112.8	Y756 G778 M822	Y756-G826 CarbonylContact O-C 3.6Å; Y756-G826 WeakPolarHBondContact O-CA 3.44Å; G778-G826 WeakPolarHBondContact CA-O 3.32Å; M822-G826 WeakPolarHBondContact O-CA 3.32Å; M822-G826 PolarHBondContact O-N 3.47Å
827	V	93.1	Very high	85.6	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	138.5	178.1	67.8	0	0	0	0	112	H755 Y756 V762 I775 G777 V780 A821	H755-V827 WeakPolarHBondContact CA-O 3.34Å; Y756-V827 HydrophobicContact CD2-CG1 4.3Å; Y756-V827 HydrophobicContact CG-CG1 4.49Å; Y756-V827 PolarHBondContact N-O 3.21Å; Y756-V827 PolarHBondContact O-N 3.12Å; V762-V827 HydrophobicContact CG2-CG1 3.82Å; I775-V827 HydrophobicContact CG1-CG2 4.29Å; I775-V827 HydrophobicContact CG2-CG2 3.69Å; G777-V827 WeakPolarHBondContact O-CA 3.22Å; G777-V827 WeakPolarHBondContact O-CG2 3.44Å; V780-V827 HydrophobicContact CG1-CB 3.84Å; V780-V827 HydrophobicContact CG1-CG1 3.77Å; V780-V827 HydrophobicContact CG1-CG2 3.67Å; A821-V827 HydrophobicContact CB-CB 4.35Å; A821-V827 HydrophobicContact CB-CG1 3.73Å
828	D	91.4	Very high	84.9	Confident	65 Å²	65	39 Å²	39	35%	0.348	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	123.6	168	-56.7	-68.2	0	0	0	109.3	H755 T776 G777	H755-D828 IonicContact CE1-OD1 3.52Å; H755-D828 IonicContact CG-OD1 2.71Å; H755-D828 IonicContact ND1-OD1 2.72Å; H755-D828 PolarHBondContact ND1-OD1 3.02Å; T776-D828 PolarHBondContact N-O 3.05Å; T776-D828 VanDerWaalsContact OG1-CB 3.3Å; T776-D828 WeakPolarHBondContact OG1-CB 3.48Å; T776-D828 PolarHBondContact OG1-O 2.86Å; G777-D828 PolarHBondContact N-O 2.88Å; G777-D828 PolarHBondContact O-N 3.31Å
829	C	90	Very high	83.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.9	-178.9	-72.8	0	0	0	0	111.4	S753 E754 Y756 Y773 I774	S753-C829 WeakPolarHBondContact CA-O 3.44Å; E754-C829 PolarHBondContact N-O 2.91Å; E754-C829 PolarHBondContact O-N 3.32Å; Y756-C829 HydrophobicContact CE2-CB 4.31Å; Y773-C829 HydrophobicContact CD1-CB 4.04Å; I774-C829 WeakPolarHBondContact O-CA 3.21Å
830	L	88.2	Confident	82.6	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	137.9	159.8	-64.9	174.3	0	0	0	109.3	Y726 F729 L751 G752 Y773 I774 T776	Y726-L830 HydrophobicContact CD1-CD1 4.21Å; Y726-L830 HydrophobicContact CD1-CD2 4.23Å; Y726-L830 HydrophobicContact CE1-CD1 4.38Å; Y726-L830 HydrophobicContact CE1-CD2 3.6Å; Y726-L830 HydrophobicContact CE2-CD2 4.08Å; Y726-L830 VanDerWaalsContact CZ-CD2 3.49Å; F729-L830 HydrophobicContact CD1-CD1 3.68Å; F729-L830 HydrophobicContact CE1-CD1 3.97Å; L751-L830 HydrophobicContact CD1-CB 4.39Å; L751-L830 HydrophobicContact CD1-CD1 4.08Å; L751-L830 HydrophobicContact CD2-CB 4.25Å; G752-L830 CarbonylContact O-C 3.43Å; G752-L830 VanDerWaalsContact O-CA 3.29Å; G752-L830 WeakPolarHBondContact O-CA 3.3Å; G752-L830 WeakPolarHBondContact O-CD2 3.29Å; Y773-L830 CarbonylContact C-O 3.55Å; Y773-L830 WeakPolarHBondContact CA-O 3.5Å; I774-L830 HydrophobicContact CB-CB 4.48Å; I774-L830 PolarHBondContact N-O 3.48Å; I774-L830 PolarHBondContact O-N 2.91Å; T776-L830 HydrophobicContact CG2-CD1 3.47Å; T776-L830 VanDerWaalsContact CG2-CD1 3.47Å; T776-L830 HydrophobicContact CG2-CD2 4.47Å; T776-L830 HydrophobicContact CG2-CG 3.55Å
831	M	86.5	Confident	81.6	Confident	38 Å²	38	40 Å²	40	19%	0.187	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138.6	-171.8	-63.7	-163.6	-62.1	0	0	112.1	L751 G752 E754 T771 F772 Y773	L751-M831 WeakPolarHBondContact CA-O 3.47Å; G752-M831 PolarHBondContact N-O 2.78Å; G752-M831 PolarHBondContact O-N 3.47Å; E754-M831 HydrophobicContact CB-CE 3.68Å; E754-M831 HydrophobicContact CB-SD 4.07Å; E754-M831 HydrophobicContact CG-CE 4.41Å; E754-M831 WeakPolarHBondContact OE2-CE 3.09Å; T771-M831 HydrophobicContact CG2-CB 3.86Å; T771-M831 HydrophobicContact CG2-CG 4.13Å; T771-M831 HydrophobicContact CG2-SD 4.07Å; F772-M831 WeakPolarHBondContact O-CA 3.44Å; Y773-M831 HydrophobicContact CD1-CG 3.75Å; Y773-M831 HydrophobicContact CD1-SD 4.13Å; Y773-M831 HydrophobicContact CE1-CG 3.8Å; Y773-M831 HydrophobicContact CE1-SD 3.54Å; Y773-M831 VanDerWaalsContact CE1-SD 3.54Å
832	L	80.2	Confident	80.2	Confident	2 Å²	2	44 Å²	44	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	123.5	173.6	-165.3	68.5	0	0	0	108.9	V750 L751 T771 F772 S836 Y837 I841	V750-L832 HydrophobicContact CB-CD1 4.24Å; V750-L832 HydrophobicContact CG2-CD1 3.51Å; L751-L832 HydrophobicContact CD2-CB 3.99Å; L751-L832 HydrophobicContact CD2-CD1 4.13Å; T771-L832 WeakPolarHBondContact CA-O 3.39Å; F772-L832 HydrophobicContact CB-CB 4.34Å; F772-L832 HydrophobicContact CD1-CB 4.24Å; F772-L832 PolarHBondContact N-O 3.19Å; F772-L832 PolarHBondContact O-N 2.7Å; L832-S836 VanDerWaalsContact CD1-CB 3.48Å; L832-Y837 HydrophobicContact CD2-CD2 4.39Å; L832-I841 HydrophobicContact CD2-CD1 3.44Å; L832-I841 VanDerWaalsContact CD2-CD1 3.44Å; L832-I841 HydrophobicContact CD2-CG1 3.95Å
833	D	77.8	Confident	78.5	Confident	48 Å²	48	46.6 Å²	46.6	26%	0.257	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	163.3	178.8	70.4	85.3	0	0	0	112.2	N770 D835 S836 Y837 Q1114	N770-D833 CarbonylContact O-C 3.42Å; N770-D833 WeakPolarHBondContact O-CA 3.32Å; D833-D835 VanDerWaalsContact C-N 3.32Å; D833-D835 PolarHBondContact O-N 3.48Å; D833-D835 WeakPolarHBondContact OD1-CA 3.27Å; D833-D835 WeakPolarHBondContact OD1-CB 3.32Å; D833-D835 PolarHBondContact OD1-N 2.86Å; D833-S836 PolarHBondContact O-N 3.25Å; D833-S836 PolarHBondContact OD1-N 2.92Å; D833-S836 PolarHBondContact OD1-OG 3.31Å; D833-S836 WeakPolarHBondContact OD2-CB 3.36Å; D833-S836 PolarHBondContact OD2-OG 2.87Å; D833-Y837 WeakPolarHBondContact O-CB 3.27Å; D833-Y837 PolarHBondContact O-N 3.29Å; D833-Q1114 PolarHBondContact OD1-NE2 2.82Å; D833-Q1114 PolarHBondContact OD2-NE2 3.38Å
834	R	75.7	Confident	76.9	Confident	70 Å²	70	46.8 Å²	46.8	26%	0.264	23%	0.231	S	C	.	.	H	α-helix	trans	-52.9	-45	-179.5	176.8	177.3	-85	-163.5	-0.8	113.1	G769 N770 A808 L809 D813 Y837 N838	G769-R834 PolarHBondContact O-NH2 2.79Å; N770-R834 HydrophobicContact CB-CB 4.45Å; N770-R834 PolarHBondContact O-N 3.12Å; A808-R834 PolarHBondContact O-NH2 2.91Å; L809-R834 HydrophobicContact CD2-CB 3.79Å; L809-R834 HydrophobicContact CD2-CG 3.98Å; D813-R834 IonicContact OD1-CZ 3.52Å; D813-R834 VanDerWaalsContact OD1-CZ 3.24Å; D813-R834 IonicContact OD1-NH1 2.72Å; D813-R834 PolarHBondContact OD1-NH1 2.93Å; D813-R834 IonicContact OD1-NH2 3.59Å; D813-R834 PolarHBondContact OD1-NH2 3.26Å; R834-Y837 PolarHBondContact O-N 2.96Å; R834-N838 WeakPolarHBondContact O-CB 3.12Å; R834-N838 VanDerWaalsContact O-CG 3.23Å; R834-N838 PolarHBondContact O-N 3.21Å; R834-N838 PolarHBondContact O-ND2 3.36Å
835	D	67	Low	74.6	Confident	68 Å²	68	47.9 Å²	47.9	36%	0.364	24%	0.235	S	C	.	.	H	α-helix	trans	-68.2	-46.7	-176.9	-73.2	-11.3	0	0	0	109.1	D833 Y837 N838 V839	D833-D835 VanDerWaalsContact C-N 3.32Å; D833-D835 PolarHBondContact O-N 3.48Å; D833-D835 WeakPolarHBondContact OD1-CA 3.27Å; D833-D835 WeakPolarHBondContact OD1-CB 3.32Å; D833-D835 PolarHBondContact OD1-N 2.86Å; D835-Y837 PolarHBondContact O-N 3.32Å; D835-N838 PolarHBondContact O-N 3.21Å; D835-V839 WeakPolarHBondContact O-CB 3.4Å; D835-V839 WeakPolarHBondContact O-CG2 3.45Å; D835-V839 PolarHBondContact O-N 3.2Å
836	S	70.4	Confident	72	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-37.1	175.5	-59.9	0	0	0	0	113.3	L832 D833 L840	L832-S836 VanDerWaalsContact CD1-CB 3.48Å; D833-S836 PolarHBondContact O-N 3.25Å; D833-S836 PolarHBondContact OD1-N 2.92Å; D833-S836 PolarHBondContact OD1-OG 3.31Å; D833-S836 WeakPolarHBondContact OD2-CB 3.36Å; D833-S836 PolarHBondContact OD2-OG 2.87Å; S836-L840 VanDerWaalsContact O-CB 3.23Å; S836-L840 WeakPolarHBondContact O-CB 3.48Å; S836-L840 WeakPolarHBondContact O-CG 3.37Å; S836-L840 PolarHBondContact O-N 3.36Å
837	Y	73.7	Confident	69.1	Low	21 Å²	21	52.7 Å²	52.7	8%	0.082	27%	0.273	C	S	.	.	H	α-helix	trans	-66.4	-46.7	176.1	175.7	-90.4	0	0	0	111.6	F772 L809 L832 D833 R834 D835 I841 K842	F772-Y837 HydrophobicContact CB-CD2 3.72Å; F772-Y837 HydrophobicContact CB-CE2 4.35Å; F772-Y837 HydrophobicContact CB-CG 4.28Å; F772-Y837 AromaticContact CD1-CD2 3.94Å; F772-Y837 HydrophobicContact CD1-CD2 3.94Å; F772-Y837 HydrophobicContact CD1-CE2 4.27Å; F772-Y837 AromaticContact CD2-CD2 3.74Å; F772-Y837 HydrophobicContact CD2-CD2 3.74Å; F772-Y837 AromaticContact CD2-CE2 3.49Å; F772-Y837 HydrophobicContact CD2-CE2 3.49Å; F772-Y837 VanDerWaalsContact CD2-CE2 3.49Å; F772-Y837 HydrophobicContact CE1-CD2 4.46Å; F772-Y837 HydrophobicContact CE1-CE2 4.43Å; F772-Y837 HydrophobicContact CE2-CD2 4.29Å; F772-Y837 AromaticContact CE2-CE2 3.68Å; F772-Y837 HydrophobicContact CE2-CE2 3.68Å; F772-Y837 AromaticContact CG-CD2 3.54Å; F772-Y837 HydrophobicContact CG-CD2 3.54Å; F772-Y837 AromaticContact CG-CE2 3.8Å; F772-Y837 HydrophobicContact CG-CE2 3.8Å; F772-Y837 HydrophobicContact CZ-CE2 4.17Å; L809-Y837 HydrophobicContact CB-CD1 3.88Å; L809-Y837 HydrophobicContact CB-CE1 4.09Å; L809-Y837 HydrophobicContact CD1-CD1 3.61Å; L809-Y837 HydrophobicContact CD1-CD2 4.15Å; L809-Y837 HydrophobicContact CD1-CE1 4.24Å; L809-Y837 HydrophobicContact CD1-CG 3.57Å; L809-Y837 HydrophobicContact CG-CD1 4.41Å; L832-Y837 HydrophobicContact CD2-CD2 4.39Å; D833-Y837 WeakPolarHBondContact O-CB 3.27Å; D833-Y837 PolarHBondContact O-N 3.29Å; R834-Y837 PolarHBondContact O-N 2.96Å; D835-Y837 PolarHBondContact O-N 3.32Å; Y837-I841 HydrophobicContact CD2-CB 3.93Å; Y837-I841 HydrophobicContact CD2-CD1 4.16Å; Y837-I841 HydrophobicContact CD2-CG1 4.47Å; Y837-I841 HydrophobicContact CD2-CG2 4.16Å; Y837-I841 HydrophobicContact CE2-CB 3.96Å; Y837-I841 HydrophobicContact CE2-CD1 4.47Å; Y837-I841 HydrophobicContact CE2-CG2 3.67Å; Y837-I841 WeakPolarHBondContact O-CA 3.3Å; Y837-I841 WeakPolarHBondContact O-CB 3.28Å; Y837-I841 PolarHBondContact O-N 2.83Å; Y837-K842 HydrophobicContact CD1-CB 4.47Å; Y837-K842 HydrophobicContact CE1-CB 4.1Å; Y837-K842 PolarHBondContact O-N 3.37Å
838	N	71.5	Confident	66	Low	46 Å²	46	61.6 Å²	61.6	25%	0.246	32%	0.315	C	S	.	.	I	π-helix	trans	-62.5	-47.8	176	-71.8	-25.6	0	0	0	110.7	R834 D835 K842	R834-N838 WeakPolarHBondContact O-CB 3.12Å; R834-N838 VanDerWaalsContact O-CG 3.23Å; R834-N838 PolarHBondContact O-N 3.21Å; R834-N838 PolarHBondContact O-ND2 3.36Å; D835-N838 PolarHBondContact O-N 3.21Å; N838-K842 VanDerWaalsContact OD1-CD 3.28Å; N838-K842 WeakPolarHBondContact OD1-CD 3.12Å
839	V	66.9	Low	62.9	Low	19 Å²	19	66.7 Å²	66.7	12%	0.115	33%	0.329	C	S	.	.	I	π-helix	trans	-63.1	-42.4	-179.5	163.8	0	0	0	0	113	D835 R1119 K1120	D835-V839 WeakPolarHBondContact O-CB 3.4Å; D835-V839 WeakPolarHBondContact O-CG2 3.45Å; D835-V839 PolarHBondContact O-N 3.2Å; V839-R1119 HydrophobicContact CG1-CB 3.72Å; V839-R1119 HydrophobicContact CG1-CG 3.58Å; V839-R1119 HydrophobicContact CG2-CG 4.22Å; V839-K1120 WeakPolarHBondContact O-CD 3.35Å; V839-K1120 WeakPolarHBondContact O-CE 3.43Å; V839-K1120 WeakPolarHBondContact O-CG 3.33Å
840	L	69	Low	59.9	Low	7 Å²	7	72 Å²	72	4%	0.037	37%	0.366	C	S	.	.	I	π-helix	trans	-104.6	-30.7	-169.4	-59.1	175	0	0	0	113.9	K746 V747 V750 S836 K1120	K746-L840 HydrophobicContact CB-CD2 4.14Å; V747-L840 HydrophobicContact CB-CD1 4.49Å; V747-L840 HydrophobicContact CG2-CB 3.81Å; V747-L840 HydrophobicContact CG2-CD1 3.89Å; V747-L840 HydrophobicContact CG2-CG 4.41Å; V750-L840 HydrophobicContact CG2-CD1 3.52Å; S836-L840 VanDerWaalsContact O-CB 3.23Å; S836-L840 WeakPolarHBondContact O-CB 3.48Å; S836-L840 WeakPolarHBondContact O-CG 3.37Å; S836-L840 PolarHBondContact O-N 3.36Å; L840-K1120 WeakPolarHBondContact O-CE 3.35Å
841	I	72	Confident	56.9	Low	15 Å²	15	81.8 Å²	81.8	8%	0.077	40%	0.404	C	S	.	.	I	π-helix	trans	-112.5	-56.6	-169.5	-58.4	-171.7	0	0	0	112.9	F736 F772 L832 Y837 D843 L844	F736-I841 HydrophobicContact CE1-CD1 4.04Å; F736-I841 HydrophobicContact CE1-CG2 4.18Å; F736-I841 HydrophobicContact CZ-CD1 4.03Å; F772-I841 HydrophobicContact CE1-CD1 4.23Å; L832-I841 HydrophobicContact CD2-CD1 3.44Å; L832-I841 VanDerWaalsContact CD2-CD1 3.44Å; L832-I841 HydrophobicContact CD2-CG1 3.95Å; Y837-I841 HydrophobicContact CD2-CB 3.93Å; Y837-I841 HydrophobicContact CD2-CD1 4.16Å; Y837-I841 HydrophobicContact CD2-CG1 4.47Å; Y837-I841 HydrophobicContact CD2-CG2 4.16Å; Y837-I841 HydrophobicContact CE2-CB 3.96Å; Y837-I841 HydrophobicContact CE2-CD1 4.47Å; Y837-I841 HydrophobicContact CE2-CG2 3.67Å; Y837-I841 WeakPolarHBondContact O-CA 3.3Å; Y837-I841 WeakPolarHBondContact O-CB 3.28Å; Y837-I841 PolarHBondContact O-N 2.83Å; I841-D843 PolarHBondContact O-N 2.72Å; I841-D843 VanDerWaalsContact O-N 3.12Å; I841-L844 HydrophobicContact CB-CD1 4.45Å; I841-L844 HydrophobicContact CG2-CD1 4.26Å; I841-L844 WeakPolarHBondContact O-CB 3.44Å; I841-L844 VanDerWaalsContact O-CD1 3.31Å; I841-L844 WeakPolarHBondContact O-CD1 3.31Å; I841-L844 WeakPolarHBondContact O-CG 3.19Å; I841-L844 PolarHBondContact O-N 2.89Å
842	K	66	Low	54.2	Low	85 Å²	85	82.9 Å²	82.9	37%	0.37	41%	0.414	S	S	.	.	I	π-helix	trans	-38.5	-62.8	-163.2	-173	165.7	-178.7	170.5	0	115.1	L809 T810 Y837 N838 L844	L809-K842 PolarHBondContact O-NZ 2.92Å; T810-K842 PolarHBondContact O-NZ 3.2Å; Y837-K842 HydrophobicContact CD1-CB 4.47Å; Y837-K842 HydrophobicContact CE1-CB 4.1Å; Y837-K842 PolarHBondContact O-N 3.37Å; N838-K842 VanDerWaalsContact OD1-CD 3.28Å; N838-K842 WeakPolarHBondContact OD1-CD 3.12Å; K842-L844 PolarHBondContact O-N 2.87Å
843	D	58.8	Low	51.6	Low	99 Å²	99	87.9 Å²	87.9	53%	0.529	44%	0.441	S	S	.	.			trans	-94.3	74.8	-177.6	-17	-87.9	0	0	0	111.2	I841 K1120	I841-D843 PolarHBondContact O-N 2.72Å; I841-D843 VanDerWaalsContact O-N 3.12Å; D843-K1120 PolarHBondContact O-NZ 3.24Å; D843-K1120 IonicContact OD2-NZ 2.59Å; D843-K1120 PolarHBondContact OD2-NZ 2.88Å
844	L	55	Low	49.2	Very low	67 Å²	67	92.9 Å²	92.9	35%	0.351	46%	0.463	S	S	.	.			trans	-101.6	23.4	-177.5	-95.8	172.2	0	0	0	114.6	L739 I841 K842	L739-L844 HydrophobicContact CD1-CD1 3.78Å; L739-L844 HydrophobicContact CD2-CD1 3.84Å; L739-L844 HydrophobicContact CD2-CD2 3.88Å; L739-L844 HydrophobicContact CD2-CG 4.39Å; L739-L844 HydrophobicContact CG-CD1 4.49Å; I841-L844 HydrophobicContact CB-CD1 4.45Å; I841-L844 HydrophobicContact CG2-CD1 4.26Å; I841-L844 WeakPolarHBondContact O-CB 3.44Å; I841-L844 VanDerWaalsContact O-CD1 3.31Å; I841-L844 WeakPolarHBondContact O-CD1 3.31Å; I841-L844 WeakPolarHBondContact O-CG 3.19Å; I841-L844 PolarHBondContact O-N 2.89Å; K842-L844 PolarHBondContact O-N 2.87Å
845	V	37.1	Very low	47.3	Very low	147 Å²	147	97.1 Å²	97.1	89%	0.891	48%	0.483	S	S	*	.	S	Bend	trans	-129.4	48.3	175.6	-162.7	0	0	0	0	112
846	S	31.9	Very low	46	Very low	93 Å²	93	97 Å²	97	65%	0.65	49%	0.486	S	S	*	.			trans	-176.3	106.7	155.2	55.5	0	0	0	0	111.2
847	F	29.8	Very low	44.7	Very low	213 Å²	213	101 Å²	101	93%	0.934	51%	0.51	S	S	*	.			trans	-177.5	122.9	136.2	-110	-68.5	0	0	0	110.1
848	E	27.2	Very low	43.3	Very low	188 Å²	188	102.7 Å²	102.7	88%	0.879	52%	0.52	S	S	*	.			trans	-73.4	152.6	173.8	-66.2	175.4	115.2	0	0	111.1	S850	E848-S850 PolarHBondContact O-N 2.93Å
849	R	25.3	Very low	42.4	Very low	172 Å²	172	104 Å²	104	65%	0.649	53%	0.533	S	S	*	.			trans	-81.2	110	172.8	-80.4	175.6	154.9	-178.7	-11.2	109.4	E742 Y851	E742-R849 IonicContact OE2-NH2 2.79Å; E742-R849 PolarHBondContact OE2-NH2 3.05Å; R849-Y851 PolarHBondContact O-N 3.14Å
850	S	28.2	Very low	41.7	Very low	111 Å²	111	110.1 Å²	110.1	78%	0.776	56%	0.56	S	S	*	*			trans	-66.6	128.6	167.6	-167.8	0	0	0	0	110.6	E848	E848-S850 PolarHBondContact O-N 2.93Å
851	Y	25.4	Very low	41.4	Very low	208 Å²	208	112 Å²	112	82%	0.816	57%	0.567	S	S	*	*			trans	-13.9	144.1	179.8	-57.2	-85.6	0	0	0	121.2	R849	R849-Y851 PolarHBondContact O-N 3.14Å
852	P	28.5	Very low	40.8	Very low	60 Å²	60	115.3 Å²	115.3	39%	0.39	58%	0.582	S	S	.	*			trans	-74.5	-172.3	152.6	36.6	-34.1	0	0	0	111.2	N332	N332-P852 HydrophobicContact CB-CG 4.05Å
853	D	26.4	Very low	40.7	Very low	108 Å²	108	118.7 Å²	118.7	58%	0.578	60%	0.597	S	S	*	*			trans	78.9	41.7	164.1	-51.7	-31.4	0	0	0	118.7	N332 K855	N332-D853 PolarHBondContact ND2-OD2 3.33Å; D853-K855 PolarHBondContact O-N 3.32Å
854	E	28.2	Very low	41.3	Very low	153 Å²	153	120.2 Å²	120.2	72%	0.715	60%	0.601	S	S	*	*			trans	-77.9	94.5	141.6	-85.7	-166.6	169.5	0	0	109.7
855	K	34.4	Very low	42.6	Very low	158 Å²	158	117.4 Å²	117.4	69%	0.687	59%	0.586	S	S	*	*			trans	-59.1	134.7	168.1	-71.3	-172.3	177.2	-175.2	0	109.4	D853 T857	D853-K855 PolarHBondContact O-N 3.32Å; K855-T857 PolarHBondContact O-N 3.08Å
856	P	40.3	Very low	44.5	Very low	66 Å²	66	112.8 Å²	112.8	43%	0.429	56%	0.56	S	S	.	*			trans	-65.7	119.1	179.9	27.2	-34.1	0	0	0	110.8	I858	P856-I858 HydrophobicContact CB-CD1 4.01Å; P856-I858 HydrophobicContact CB-CG1 4.2Å; P856-I858 HydrophobicContact CG-CD1 4.22Å; P856-I858 PolarHBondContact O-N 3Å
857	T	42.3	Very low	47.1	Very low	84 Å²	84	114.7 Å²	114.7	52%	0.515	56%	0.563	S	S	.	*			trans	-76.7	60.9	179.2	-41.4	0	0	0	0	112.1	K855	K855-T857 PolarHBondContact O-N 3.08Å
858	I	45.7	Very low	49.9	Very low	57 Å²	57	105.7 Å²	105.7	29%	0.292	52%	0.524	S	S	.	.			trans	-72.5	-35.2	175.7	-71.9	165.8	0	0	0	110.4	P856 Q860 E862 M927	P856-I858 HydrophobicContact CB-CD1 4.01Å; P856-I858 HydrophobicContact CB-CG1 4.2Å; P856-I858 HydrophobicContact CG-CD1 4.22Å; P856-I858 PolarHBondContact O-N 3Å; I858-Q860 PolarHBondContact O-N 3.31Å; I858-E862 HydrophobicContact CG2-CG 4.27Å; I858-E862 WeakPolarHBondContact CG2-OE2 3.46Å; I858-M927 HydrophobicContact CG2-CE 4.46Å
859	S	51.6	Low	53.1	Low	73 Å²	73	103.2 Å²	103.2	51%	0.51	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	9.2	-166	62.4	0	0	0	0	118.1	K863	S859-K863 VanDerWaalsContact O-CD 3.24Å; S859-K863 WeakPolarHBondContact O-CD 3.18Å; S859-K863 VanDerWaalsContact O-CE 3.27Å; S859-K863 WeakPolarHBondContact O-CE 3.33Å; S859-K863 WeakPolarHBondContact O-CG 3.41Å
860	Q	52.2	Low	56.3	Low	148 Å²	148	97.6 Å²	97.6	69%	0.692	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.6	-48.5	175.3	-76.5	-171.6	-15	0	0	113.7	I858 K863 Q864	I858-Q860 PolarHBondContact O-N 3.31Å; Q860-K863 PolarHBondContact O-N 2.95Å; Q860-Q864 PolarHBondContact O-N 3.48Å
861	R	63.1	Low	59.4	Low	47 Å²	47	97.6 Å²	97.6	18%	0.177	49%	0.488	C	S	.	.	H	α-helix	trans	-66	-42.1	-179.2	-87	-175.6	-76.7	143.5	-3.5	112	K863 Q864 F865 T929 N930 L937	R861-K863 VanDerWaalsContact C-N 3.27Å; R861-K863 PolarHBondContact O-N 3.22Å; R861-Q864 PolarHBondContact O-N 2.82Å; R861-Q864 VanDerWaalsContact O-N 3.13Å; R861-F865 WeakPolarHBondContact O-CD2 3.38Å; R861-F865 PolarHBondContact O-N 2.89Å; R861-T929 PolarHBondContact NH2-O 3.48Å; R861-N930 PolarHBondContact NH2-OD1 3.38Å; R861-L937 PolarHBondContact NH1-O 3.32Å; R861-L937 VanDerWaalsContact NH1-O 3.08Å
862	E	59.8	Low	62.8	Low	85 Å²	85	89.4 Å²	89.4	40%	0.397	46%	0.459	S	S	.	.	H	α-helix	trans	-59	-38.9	175.1	-69	-171.3	130.3	0	0	112.4	I858 Q864 F865 S866 M927	I858-E862 HydrophobicContact CG2-CG 4.27Å; I858-E862 WeakPolarHBondContact CG2-OE2 3.46Å; E862-Q864 PolarHBondContact O-N 3.2Å; E862-F865 CarbonylContact O-C 3.2Å; E862-F865 PolarHBondContact O-N 3.42Å; E862-S866 WeakPolarHBondContact O-CA 3.33Å; E862-S866 WeakPolarHBondContact O-CB 3.47Å; E862-S866 PolarHBondContact O-N 2.83Å; E862-M927 HydrophobicContact CG-CE 3.62Å; E862-M927 WeakPolarHBondContact OE1-CE 3.4Å
863	K	62.8	Low	66	Low	156 Å²	156	87.4 Å²	87.4	68%	0.678	44%	0.444	S	S	*	.	H	α-helix	trans	-69	-17.7	179.7	-63.3	-168.6	-177.4	-174.7	0	114.2	S859 Q860 R861 S866	S859-K863 VanDerWaalsContact O-CD 3.24Å; S859-K863 WeakPolarHBondContact O-CD 3.18Å; S859-K863 VanDerWaalsContact O-CE 3.27Å; S859-K863 WeakPolarHBondContact O-CE 3.33Å; S859-K863 WeakPolarHBondContact O-CG 3.41Å; Q860-K863 PolarHBondContact O-N 2.95Å; R861-K863 VanDerWaalsContact C-N 3.27Å; R861-K863 PolarHBondContact O-N 3.22Å; K863-S866 PolarHBondContact O-OG 2.97Å
864	Q	72.3	Confident	69.3	Low	131 Å²	131	84.8 Å²	84.8	61%	0.612	43%	0.432	S	S	*	.	H	α-helix	trans	-81.2	-26.8	171.5	-175.4	178.2	4.3	0	0	111.9	Q860 R861 E862	Q860-Q864 PolarHBondContact O-N 3.48Å; R861-Q864 PolarHBondContact O-N 2.82Å; R861-Q864 VanDerWaalsContact O-N 3.13Å; E862-Q864 PolarHBondContact O-N 3.2Å
865	F	81.4	Confident	72.5	Confident	7 Å²	7	80.7 Å²	80.7	3%	0.031	42%	0.417	C	S	.	.	H	α-helix	trans	-111.3	-1.3	-175	-70.8	-95.5	0	0	0	113.9	R861 E862 D867 I868 F900 Y938 R939 L950	R861-F865 WeakPolarHBondContact O-CD2 3.38Å; R861-F865 PolarHBondContact O-N 2.89Å; E862-F865 CarbonylContact O-C 3.2Å; E862-F865 PolarHBondContact O-N 3.42Å; F865-D867 PolarHBondContact O-N 2.73Å; F865-D867 VanDerWaalsContact O-N 3.16Å; F865-I868 HydrophobicContact CD1-CD1 3.74Å; F865-I868 HydrophobicContact CE1-CD1 4.16Å; F865-I868 HydrophobicContact CG-CD1 4.36Å; F865-I868 PolarHBondContact O-N 2.88Å; F865-F900 AromaticContact CE1-CE1 3.64Å; F865-F900 HydrophobicContact CE1-CE1 3.64Å; F865-F900 HydrophobicContact CE1-CE2 4.41Å; F865-F900 AromaticContact CE1-CZ 3.55Å; F865-F900 HydrophobicContact CE1-CZ 3.55Å; F865-F900 AromaticContact CZ-CE1 3.65Å; F865-F900 HydrophobicContact CZ-CE1 3.65Å; F865-F900 AromaticContact CZ-CZ 3.71Å; F865-F900 HydrophobicContact CZ-CZ 3.71Å; F865-Y938 HydrophobicContact CD2-CD1 4.14Å; F865-Y938 HydrophobicContact CD2-CG 4.5Å; F865-Y938 AromaticContact CE2-CD1 3.6Å; F865-Y938 HydrophobicContact CE2-CD1 3.6Å; F865-Y938 HydrophobicContact CE2-CE1 4.23Å; F865-Y938 HydrophobicContact CE2-CG 4.14Å; F865-Y938 AromaticContact CZ-CD1 3.92Å; F865-Y938 HydrophobicContact CZ-CD1 3.92Å; F865-Y938 HydrophobicContact CZ-CE1 4.4Å; F865-Y938 HydrophobicContact CZ-CG 4.16Å; F865-R939 HydrophobicContact CB-CB 4.47Å; F865-R939 PolarHBondContact O-NH1 3.2Å; F865-L950 HydrophobicContact CD1-CD2 3.99Å; F865-L950 HydrophobicContact CE1-CD2 4.29Å
866	S	78.9	Confident	75.3	Confident	50 Å²	50	75.5 Å²	75.5	35%	0.35	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-31.2	-175.9	54.8	0	0	0	0	114	E862 K863 R939	E862-S866 WeakPolarHBondContact O-CA 3.33Å; E862-S866 WeakPolarHBondContact O-CB 3.47Å; E862-S866 PolarHBondContact O-N 2.83Å; K863-S866 PolarHBondContact O-OG 2.97Å; S866-R939 PolarHBondContact O-NH1 2.8Å; S866-R939 PolarHBondContact O-NH2 2.89Å
867	D	84.5	Confident	77.8	Confident	133 Å²	133	73.9 Å²	73.9	71%	0.711	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-12.1	-172.1	-58.7	10	0	0	0	111.6	F865	F865-D867 PolarHBondContact O-N 2.73Å; F865-D867 VanDerWaalsContact O-N 3.16Å
868	I	90.1	Very high	80.2	Confident	24 Å²	24	70.1 Å²	70.1	12%	0.123	37%	0.366	C	S	.	.			trans	-82	118.8	-177.7	-61.5	-179.5	0	0	0	109.3	F865 D872 F873 L892 R939 Y941	F865-I868 HydrophobicContact CD1-CD1 3.74Å; F865-I868 HydrophobicContact CE1-CD1 4.16Å; F865-I868 HydrophobicContact CG-CD1 4.36Å; F865-I868 PolarHBondContact O-N 2.88Å; I868-D872 HydrophobicContact CG2-CB 4.05Å; I868-F873 HydrophobicContact CG2-CE2 3.63Å; I868-F873 HydrophobicContact CG2-CZ 3.63Å; I868-L892 HydrophobicContact CD1-CD1 4.16Å; I868-L892 HydrophobicContact CD1-CD2 4.22Å; I868-L892 HydrophobicContact CG2-CD2 3.64Å; I868-R939 PolarHBondContact O-NH1 3.11Å; I868-Y941 VanDerWaalsContact O-CE1 3.23Å; I868-Y941 WeakPolarHBondContact O-CE1 3.3Å; I868-Y941 PolarHBondContact O-OH 3.08Å
869	K	93.1	Very high	82.5	Confident	136 Å²	136	68.2 Å²	68.2	59%	0.591	36%	0.356	S	S	*	.			trans	-92.5	161.3	-179.5	-62.2	177.3	-177.8	177.6	0	111.1	T871 D872 F873	K869-T871 PolarHBondContact O-N 3.24Å; K869-T871 VanDerWaalsContact O-N 3.14Å; K869-D872 PolarHBondContact N-OD2 3.13Å; K869-D872 WeakPolarHBondContact O-CB 3.49Å; K869-D872 PolarHBondContact O-N 3.27Å; K869-F873 WeakPolarHBondContact O-CD2 3.41Å
870	L	92.8	Very high	84.2	Confident	55 Å²	55	65.1 Å²	65.1	29%	0.288	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-56.7	-29.9	173.9	-169.9	65.5	0	0	0	112.7	D872 L902 Y941 Y948	L870-D872 VanDerWaalsContact C-N 3.29Å; L870-D872 PolarHBondContact O-N 2.89Å; L870-L902 HydrophobicContact CD1-CD2 4.02Å; L870-Y941 HydrophobicContact CB-CD1 4.46Å; L870-Y941 HydrophobicContact CB-CG 4.39Å; L870-Y941 HydrophobicContact CD1-CD2 4.11Å; L870-Y941 HydrophobicContact CD1-CG 4.42Å; L870-Y948 HydrophobicContact CD1-CD1 3.96Å; L870-Y948 HydrophobicContact CD1-CE1 4.31Å; L870-Y948 HydrophobicContact CD1-CG 4.1Å; L870-Y948 HydrophobicContact CD2-CD1 4.26Å; L870-Y948 HydrophobicContact CD2-CD2 3.98Å; L870-Y948 HydrophobicContact CD2-CE1 3.95Å; L870-Y948 HydrophobicContact CD2-CE2 3.68Å; L870-Y948 HydrophobicContact CD2-CG 4.27Å
871	T	94.6	Very high	85.8	Confident	110 Å²	110	62.4 Å²	62.4	68%	0.675	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-73.3	-12.3	175.4	53.6	0	0	0	0	114.8	K869 F873 N893	K869-T871 PolarHBondContact O-N 3.24Å; K869-T871 VanDerWaalsContact O-N 3.14Å; T871-F873 PolarHBondContact O-N 3.05Å; T871-N893 PolarHBondContact O-ND2 3.42Å; T871-N893 VanDerWaalsContact O-ND2 3.15Å
872	D	95.2	Very high	86.5	Confident	36 Å²	36	62.3 Å²	62.3	19%	0.193	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-81.9	-0.3	176.9	-66.4	-46.2	0	0	0	112.6	I868 K869 L870 L892 N893	I868-D872 HydrophobicContact CG2-CB 4.05Å; K869-D872 PolarHBondContact N-OD2 3.13Å; K869-D872 WeakPolarHBondContact O-CB 3.49Å; K869-D872 PolarHBondContact O-N 3.27Å; L870-D872 VanDerWaalsContact C-N 3.29Å; L870-D872 PolarHBondContact O-N 2.89Å; D872-L892 HydrophobicContact CB-CD2 4.34Å; D872-N893 VanDerWaalsContact C-ND2 3.32Å; D872-N893 WeakPolarHBondContact O-CB 3.35Å; D872-N893 PolarHBondContact O-N 3.45Å; D872-N893 PolarHBondContact O-ND2 3.4Å
873	F	95.9	Very high	87.1	Confident	19 Å²	19	61.2 Å²	61.2	8%	0.083	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	145.3	178	-62.5	-81.1	0	0	0	112.3	I868 K869 T871 V890 Y891 L892 F900 Y941 L950	I868-F873 HydrophobicContact CG2-CE2 3.63Å; I868-F873 HydrophobicContact CG2-CZ 3.63Å; K869-F873 WeakPolarHBondContact O-CD2 3.41Å; T871-F873 PolarHBondContact O-N 3.05Å; F873-V890 HydrophobicContact CB-CB 4.19Å; F873-V890 HydrophobicContact CB-CG2 4.34Å; F873-V890 HydrophobicContact CD1-CB 4.28Å; F873-V890 HydrophobicContact CD1-CG2 3.65Å; F873-V890 HydrophobicContact CE1-CG2 4.25Å; F873-V890 HydrophobicContact CG-CG2 4.16Å; F873-Y891 CarbonylContact C-O 3.48Å; F873-Y891 VanDerWaalsContact CA-O 3.31Å; F873-Y891 WeakPolarHBondContact CA-O 3.3Å; F873-L892 HydrophobicContact CD1-CD2 3.83Å; F873-L892 HydrophobicContact CD1-CG 4.16Å; F873-L892 HydrophobicContact CE1-CD2 3.43Å; F873-L892 VanDerWaalsContact CE1-CD2 3.43Å; F873-L892 HydrophobicContact CE1-CG 3.77Å; F873-L892 HydrophobicContact CE2-CD2 4.42Å; F873-L892 HydrophobicContact CG-CD2 4.47Å; F873-L892 HydrophobicContact CZ-CD2 3.77Å; F873-L892 HydrophobicContact CZ-CG 4.49Å; F873-F900 HydrophobicContact CD1-CD2 4.47Å; F873-F900 AromaticContact CE1-CD2 3.79Å; F873-F900 HydrophobicContact CE1-CD2 3.79Å; F873-F900 HydrophobicContact CE1-CE2 4.17Å; F873-F900 HydrophobicContact CE1-CG 4.46Å; F873-Y941 HydrophobicContact CE2-CE2 4.17Å; F873-L950 HydrophobicContact CE1-CD1 3.88Å; F873-L950 HydrophobicContact CE1-CD2 4.28Å; F873-L950 HydrophobicContact CE2-CD1 4.38Å; F873-L950 HydrophobicContact CE2-CD2 4.33Å; F873-L950 HydrophobicContact CZ-CD1 3.76Å; F873-L950 HydrophobicContact CZ-CD2 3.58Å; F873-L950 HydrophobicContact CZ-CG 4.35Å
874	T	96.5	Very high	87.8	Confident	52 Å²	52	56.8 Å²	56.8	32%	0.319	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.3	163.3	-68.1	0	0	0	0	109.3	V890 Y891 N893	T874-V890 CarbonylContact O-C 3.6Å; T874-V890 VanDerWaalsContact O-CA 3.24Å; T874-V890 WeakPolarHBondContact O-CA 3.48Å; T874-Y891 HydrophobicContact CG2-CE1 3.71Å; T874-Y891 HydrophobicContact CG2-CE2 4.35Å; T874-Y891 WeakPolarHBondContact CG2-OH 3.44Å; T874-Y891 PolarHBondContact N-O 3.46Å; T874-Y891 PolarHBondContact O-N 3.24Å; T874-N893 WeakPolarHBondContact CB-OD1 3.27Å; T874-N893 PolarHBondContact N-OD1 2.59Å; T874-N893 VanDerWaalsContact N-OD1 3.12Å; T874-N893 PolarHBondContact OG1-OD1 2.94Å
875	V	95	Very high	88.5	Confident	67 Å²	67	51.1 Å²	51.1	41%	0.406	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	137.9	172.9	178	0	0	0	0	110.2	Q888 V890	V875-Q888 HydrophobicContact CG1-CB 4.29Å; V875-V890 HydrophobicContact CG2-CG1 4.08Å
876	V	93.7	Very high	89	Confident	50 Å²	50	52 Å²	52	30%	0.303	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-54	173.2	-175.6	0	0	0	0	110.5	L889 Y891 T1157 L1159	V876-L889 HydrophobicContact CB-CB 4.18Å; V876-L889 HydrophobicContact CB-CD2 4.25Å; V876-L889 HydrophobicContact CB-CG 4.08Å; V876-L889 HydrophobicContact CG1-CD2 4.31Å; V876-L889 HydrophobicContact CG2-CD2 4.4Å; V876-L889 HydrophobicContact CG2-CG 4.07Å; V876-L889 PolarHBondContact N-O 2.9Å; V876-Y891 HydrophobicContact CG2-CD1 3.55Å; V876-Y891 HydrophobicContact CG2-CE1 3.96Å; V876-T1157 HydrophobicContact CG2-CG2 4Å; V876-L1159 HydrophobicContact CG1-CD1 4.38Å
877	S	93.3	Very high	89.8	Confident	32 Å²	32	51.2 Å²	51.2	22%	0.224	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	175.3	175.9	-160.2	0	0	0	0	111.1	Q888 L889	S877-Q888 CarbonylContact O-C 3.47Å; S877-Q888 VanDerWaalsContact O-CA 3.28Å; S877-Q888 WeakPolarHBondContact O-CA 3.21Å; S877-L889 PolarHBondContact O-N 2.84Å
878	T	92.6	Very high	90.3	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.025	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.9	165.3	-60.4	0	0	0	0	109.2	G880 I881 R886 V887 Y1165	T878-G880 WeakPolarHBondContact CG2-O 3.47Å; T878-I881 HydrophobicContact CG2-CG1 4.29Å; T878-R886 HydrophobicContact CG2-CB 3.96Å; T878-R886 PolarHBondContact OG1-NH1 3.35Å; T878-V887 CarbonylContact C-O 3.55Å; T878-Y1165 HydrophobicContact CG2-CD2 4.09Å; T878-Y1165 HydrophobicContact CG2-CG 4.22Å
879	I	92.2	Very high	90.6	Very high	17 Å²	17	44.7 Å²	44.7	9%	0.087	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-1.7	-179.1	62.4	170.9	0	0	0	113.8	V887 L889 A901 L1159 F1162	I879-V887 HydrophobicContact CD1-CG1 4.05Å; I879-V887 HydrophobicContact CG1-CB 4.16Å; I879-V887 HydrophobicContact CG1-CG1 3.85Å; I879-V887 WeakPolarHBondContact CG1-O 3.11Å; I879-V887 PolarHBondContact N-O 3.36Å; I879-L889 HydrophobicContact CD1-CB 4.32Å; I879-L889 HydrophobicContact CG2-CB 3.66Å; I879-A901 HydrophobicContact CD1-CB 4.23Å; I879-L1159 HydrophobicContact CG2-CD2 3.47Å; I879-L1159 VanDerWaalsContact CG2-CD2 3.47Å; I879-F1162 HydrophobicContact CB-CD1 3.88Å; I879-F1162 HydrophobicContact CB-CE1 4.1Å; I879-F1162 HydrophobicContact CB-CG 4.27Å; I879-F1162 HydrophobicContact CD1-CE1 4.24Å; I879-F1162 HydrophobicContact CD1-CZ 4.43Å; I879-F1162 HydrophobicContact CG2-CG 4.5Å; I879-F1162 WeakPolarHBondContact O-CD1 3.39Å
880	G	88.8	Confident	90.8	Very high	8 Å²	8	38.2 Å²	38.2	8%	0.082	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	150.5	174.9	0	0	0	0	0	111.8	T878 R886 V887 Y1165	T878-G880 WeakPolarHBondContact CG2-O 3.47Å; G880-R886 CarbonylContact O-C 3.59Å; G880-R886 WeakPolarHBondContact O-CA 3.24Å; G880-V887 PolarHBondContact N-O 3.42Å; G880-V887 PolarHBondContact O-N 3.47Å; G880-Y1165 VanDerWaalsContact CA-CE2 3.5Å
881	I	85.2	Confident	90.9	Very high	92 Å²	92	37.2 Å²	37.2	47%	0.472	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.7	170.6	-59.8	178.7	0	0	0	107.9	T878 Y1165	T878-I881 HydrophobicContact CG2-CG1 4.29Å; I881-Y1165 HydrophobicContact CD1-CD1 3.59Å; I881-Y1165 HydrophobicContact CD1-CE1 4.31Å; I881-Y1165 HydrophobicContact CD1-CG 4.04Å; I881-Y1165 HydrophobicContact CG1-CD1 3.83Å; I881-Y1165 HydrophobicContact CG1-CE1 4.27Å; I881-Y1165 HydrophobicContact CG1-CG 4.05Å
882	G	77.3	Confident	90.9	Very high	44 Å²	44	32.4 Å²	32.4	45%	0.454	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	175.3	175.3	0	0	0	0	0	111.1	F884 G885	G882-F884 VanDerWaalsContact C-N 3.28Å; G882-F884 PolarHBondContact O-N 3.5Å; G882-F884 VanDerWaalsContact O-N 3.11Å; G882-G885 PolarHBondContact N-O 2.86Å; G882-G885 PolarHBondContact O-N 3.49Å
883	G	73.3	Confident	90.8	Very high	63 Å²	63	34.5 Å²	34.5	65%	0.649	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-39.9	-171.5	0	0	0	0	0	114.9	Y909	G883-Y909 VanDerWaalsContact O-CE1 3.25Å; G883-Y909 WeakPolarHBondContact O-CE1 3.27Å
884	F	77.3	Confident	90.6	Very high	63 Å²	63	41.7 Å²	41.7	28%	0.276	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	8.5	-173.6	-39.7	-76.2	0	0	0	114.7	G882 L905 K906 Y909 I910 T913 Q915	G882-F884 VanDerWaalsContact C-N 3.28Å; G882-F884 PolarHBondContact O-N 3.5Å; G882-F884 VanDerWaalsContact O-N 3.11Å; F884-L905 HydrophobicContact CB-CD2 4.32Å; F884-L905 WeakPolarHBondContact O-CA 3.4Å; F884-K906 PolarHBondContact O-N 2.95Å; F884-Y909 HydrophobicContact CB-CD1 4.3Å; F884-Y909 AromaticContact CD1-CD1 3.79Å; F884-Y909 HydrophobicContact CD1-CD1 3.79Å; F884-Y909 AromaticContact CD1-CE1 3.84Å; F884-Y909 HydrophobicContact CD1-CE1 3.84Å; F884-Y909 HydrophobicContact CE1-CE1 4.43Å; F884-I910 HydrophobicContact CB-CG1 4.08Å; F884-I910 HydrophobicContact CG-CG1 4.4Å; F884-T913 HydrophobicContact CE1-CG2 4.32Å; F884-T913 WeakPolarHBondContact CE1-OG1 3.46Å; F884-Q915 HydrophobicContact CE1-CB 4.2Å; F884-Q915 HydrophobicContact CE1-CG 3.71Å; F884-Q915 HydrophobicContact CZ-CB 4.14Å; F884-Q915 HydrophobicContact CZ-CG 3.69Å
885	G	86.7	Confident	90.4	Very high	12 Å²	12	40.7 Å²	40.7	12%	0.124	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.4	-153	-176.4	0	0	0	0	0	114.5	G882 K904	G882-G885 PolarHBondContact N-O 2.86Å; G882-G885 PolarHBondContact O-N 3.49Å; G885-K904 CarbonylContact C-O 3.19Å; G885-K904 WeakPolarHBondContact CA-O 3.21Å
886	R	92.6	Very high	90.1	Very high	24 Å²	24	44 Å²	44	9%	0.091	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	144.8	-169.1	54.9	175.9	65.8	-126.8	0.1	112.1	T878 G880 Q888 K904 S1166 E1168	T878-R886 HydrophobicContact CG2-CB 3.96Å; T878-R886 PolarHBondContact OG1-NH1 3.35Å; G880-R886 CarbonylContact O-C 3.59Å; G880-R886 WeakPolarHBondContact O-CA 3.24Å; R886-Q888 HydrophobicContact CG-CG 4.39Å; R886-K904 PolarHBondContact N-O 2.62Å; R886-K904 PolarHBondContact O-N 3.46Å; R886-S1166 PolarHBondContact NH1-O 2.87Å; R886-S1166 PolarHBondContact NH2-O 2.71Å; R886-E1168 IonicContact CZ-OE2 3.25Å; R886-E1168 VanDerWaalsContact CZ-OE2 3.25Å; R886-E1168 IonicContact NE-OE2 2.83Å; R886-E1168 PolarHBondContact NE-OE2 3.11Å; R886-E1168 VanDerWaalsContact NH2-CD 3.28Å; R886-E1168 VanDerWaalsContact NH2-CG 3.31Å; R886-E1168 IonicContact NH2-OE2 3.24Å; R886-E1168 PolarHBondContact NH2-OE2 3.14Å
887	V	94.3	Very high	89.9	Confident	35 Å²	35	50.2 Å²	50.2	21%	0.212	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125	172.5	-171.2	0	0	0	0	108	T878 I879 G880 A901 L902 K903	T878-V887 CarbonylContact C-O 3.55Å; I879-V887 HydrophobicContact CD1-CG1 4.05Å; I879-V887 HydrophobicContact CG1-CB 4.16Å; I879-V887 HydrophobicContact CG1-CG1 3.85Å; I879-V887 WeakPolarHBondContact CG1-O 3.11Å; I879-V887 PolarHBondContact N-O 3.36Å; G880-V887 PolarHBondContact N-O 3.42Å; G880-V887 PolarHBondContact O-N 3.47Å; V887-A901 HydrophobicContact CG1-CB 3.93Å; V887-L902 WeakPolarHBondContact CA-O 3.45Å; V887-K903 HydrophobicContact CG2-CB 4.27Å; V887-K903 HydrophobicContact CG2-CG 4.21Å
888	Q	95.4	Very high	89.8	Confident	20 Å²	20	52.6 Å²	52.6	9%	0.093	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	136.4	-178.7	-58.3	-174.7	-83.7	0	0	110.3	V875 S877 R886 V890 L902	V875-Q888 HydrophobicContact CG1-CB 4.29Å; S877-Q888 CarbonylContact O-C 3.47Å; S877-Q888 VanDerWaalsContact O-CA 3.28Å; S877-Q888 WeakPolarHBondContact O-CA 3.21Å; R886-Q888 HydrophobicContact CG-CG 4.39Å; Q888-V890 HydrophobicContact CB-CG1 4.45Å; Q888-L902 PolarHBondContact N-O 2.81Å; Q888-L902 PolarHBondContact O-N 2.65Å
889	L	96.3	Very high	90	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	127.1	167.1	179.4	57	0	0	0	108.3	V876 S877 I879 C899 V953 L955 L1159	V876-L889 HydrophobicContact CB-CB 4.18Å; V876-L889 HydrophobicContact CB-CD2 4.25Å; V876-L889 HydrophobicContact CB-CG 4.08Å; V876-L889 HydrophobicContact CG1-CD2 4.31Å; V876-L889 HydrophobicContact CG2-CD2 4.4Å; V876-L889 HydrophobicContact CG2-CG 4.07Å; V876-L889 PolarHBondContact N-O 2.9Å; S877-L889 PolarHBondContact O-N 2.84Å; I879-L889 HydrophobicContact CD1-CB 4.32Å; I879-L889 HydrophobicContact CG2-CB 3.66Å; L889-C899 HydrophobicContact CD1-CB 4.04Å; L889-V953 HydrophobicContact CD1-CB 4.36Å; L889-V953 HydrophobicContact CD1-CG2 3.72Å; L889-L955 HydrophobicContact CD2-CD2 4.35Å; L889-L1159 HydrophobicContact CB-CD2 4.46Å; L889-L1159 HydrophobicContact CD2-CD2 3.55Å; L889-L1159 HydrophobicContact CD2-CG 4.47Å
890	V	96.9	Very high	90.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154.1	177.3	-54.3	0	0	0	0	110.9	F873 T874 V875 Q888 C899 F900 L902 L950	F873-V890 HydrophobicContact CB-CB 4.19Å; F873-V890 HydrophobicContact CB-CG2 4.34Å; F873-V890 HydrophobicContact CD1-CB 4.28Å; F873-V890 HydrophobicContact CD1-CG2 3.65Å; F873-V890 HydrophobicContact CE1-CG2 4.25Å; F873-V890 HydrophobicContact CG-CG2 4.16Å; T874-V890 CarbonylContact O-C 3.6Å; T874-V890 VanDerWaalsContact O-CA 3.24Å; T874-V890 WeakPolarHBondContact O-CA 3.48Å; V875-V890 HydrophobicContact CG2-CG1 4.08Å; Q888-V890 HydrophobicContact CB-CG1 4.45Å; V890-C899 CarbonylContact O-C 3.46Å; V890-C899 VanDerWaalsContact O-CA 3.24Å; V890-C899 WeakPolarHBondContact O-CA 3.34Å; V890-F900 HydrophobicContact CG2-CB 3.91Å; V890-F900 PolarHBondContact N-O 2.84Å; V890-F900 PolarHBondContact O-N 2.71Å; V890-L902 HydrophobicContact CG1-CB 3.82Å; V890-L902 HydrophobicContact CG1-CD2 3.9Å; V890-L902 HydrophobicContact CG2-CB 4.15Å; V890-L950 HydrophobicContact CG2-CD1 4.24Å
891	Y	96.4	Very high	90.5	Very high	33 Å²	33	53 Å²	53	13%	0.129	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	152.5	168.8	64.8	-96.3	0	0	0	111.5	F873 T874 V876 K896 Q898 T1157	F873-Y891 CarbonylContact C-O 3.48Å; F873-Y891 VanDerWaalsContact CA-O 3.31Å; F873-Y891 WeakPolarHBondContact CA-O 3.3Å; T874-Y891 HydrophobicContact CG2-CE1 3.71Å; T874-Y891 HydrophobicContact CG2-CE2 4.35Å; T874-Y891 WeakPolarHBondContact CG2-OH 3.44Å; T874-Y891 PolarHBondContact N-O 3.46Å; T874-Y891 PolarHBondContact O-N 3.24Å; V876-Y891 HydrophobicContact CG2-CD1 3.55Å; V876-Y891 HydrophobicContact CG2-CE1 3.96Å; Y891-K896 HydrophobicContact CD2-CB 4.15Å; Y891-K896 HydrophobicContact CD2-CD 4.36Å; Y891-K896 HydrophobicContact CD2-CG 3.79Å; Y891-K896 HydrophobicContact CE2-CB 4.41Å; Y891-K896 HydrophobicContact CE2-CD 3.78Å; Y891-K896 HydrophobicContact CE2-CG 3.62Å; Y891-K896 WeakPolarHBondContact OH-CE 3.44Å; Y891-K896 PolarHBondContact OH-NZ 3.04Å; Y891-K896 VanDerWaalsContact OH-NZ 3.15Å; Y891-Q898 WeakPolarHBondContact CA-O 3.5Å; Y891-T1157 HydrophobicContact CD1-CG2 4.41Å
892	L	94.5	Very high	91.1	Very high	9 Å²	9	48.8 Å²	48.8	5%	0.047	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.6	172.9	-78.7	170	0	0	0	110.9	I868 D872 F873 K894 D895 Q898 F900	I868-L892 HydrophobicContact CD1-CD1 4.16Å; I868-L892 HydrophobicContact CD1-CD2 4.22Å; I868-L892 HydrophobicContact CG2-CD2 3.64Å; D872-L892 HydrophobicContact CB-CD2 4.34Å; F873-L892 HydrophobicContact CD1-CD2 3.83Å; F873-L892 HydrophobicContact CD1-CG 4.16Å; F873-L892 HydrophobicContact CE1-CD2 3.43Å; F873-L892 VanDerWaalsContact CE1-CD2 3.43Å; F873-L892 HydrophobicContact CE1-CG 3.77Å; F873-L892 HydrophobicContact CE2-CD2 4.42Å; F873-L892 HydrophobicContact CG-CD2 4.47Å; F873-L892 HydrophobicContact CZ-CD2 3.77Å; F873-L892 HydrophobicContact CZ-CG 4.49Å; L892-K894 PolarHBondContact O-N 2.92Å; L892-D895 CarbonylContact O-C 3.57Å; L892-D895 PolarHBondContact O-N 3.24Å; L892-Q898 HydrophobicContact CB-CB 4.4Å; L892-Q898 HydrophobicContact CD1-CB 4.06Å; L892-Q898 PolarHBondContact N-O 2.67Å; L892-Q898 VanDerWaalsContact N-O 3.09Å; L892-F900 HydrophobicContact CD1-CE2 3.82Å; L892-F900 HydrophobicContact CD1-CZ 4.25Å; L892-F900 HydrophobicContact CG-CE2 3.91Å
893	N	93.5	Very high	91.9	Very high	80 Å²	80	48.1 Å²	48.1	43%	0.428	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.9	179.6	-64.8	-17.3	0	0	0	113.1	T871 D872 T874	T871-N893 PolarHBondContact O-ND2 3.42Å; T871-N893 VanDerWaalsContact O-ND2 3.15Å; D872-N893 VanDerWaalsContact C-ND2 3.32Å; D872-N893 WeakPolarHBondContact O-CB 3.35Å; D872-N893 PolarHBondContact O-N 3.45Å; D872-N893 PolarHBondContact O-ND2 3.4Å; T874-N893 WeakPolarHBondContact CB-OD1 3.27Å; T874-N893 PolarHBondContact N-OD1 2.59Å; T874-N893 VanDerWaalsContact N-OD1 3.12Å; T874-N893 PolarHBondContact OG1-OD1 2.94Å
894	K	91.5	Very high	93	Very high	171 Å²	171	47.2 Å²	47.2	74%	0.743	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-23.4	177.5	-62.3	171.1	-174.8	165.2	0	113.8	L892	L892-K894 PolarHBondContact O-N 2.92Å
895	D	90.9	Very high	93.8	Very high	30 Å²	30	44.4 Å²	44.4	16%	0.16	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	107.3	177.9	-175	-6.7	0	0	0	110.9	L892 R897 Q898	L892-D895 CarbonylContact O-C 3.57Å; L892-D895 PolarHBondContact O-N 3.24Å; D895-R897 PolarHBondContact O-N 3.31Å; D895-R897 WeakPolarHBondContact OD1-CB 3.45Å; D895-R897 WeakPolarHBondContact OD1-CG 3.47Å; D895-R897 IonicContact OD1-CZ 3.5Å; D895-R897 PolarHBondContact OD1-N 2.96Å; D895-R897 IonicContact OD1-NE 3.4Å; D895-R897 PolarHBondContact OD1-NE 3.05Å; D895-R897 IonicContact OD1-NH2 3.52Å; D895-R897 IonicContact OD2-CZ 3.35Å; D895-R897 IonicContact OD2-NE 3.53Å; D895-R897 PolarHBondContact OD2-NE 2.85Å; D895-R897 IonicContact OD2-NH2 2.76Å; D895-R897 PolarHBondContact OD2-NH2 3.13Å; D895-Q898 HydrophobicContact CB-CG 4.14Å; D895-Q898 PolarHBondContact O-N 3.45Å; D895-Q898 PolarHBondContact OD2-NE2 3.31Å
896	K	89.7	Confident	94.1	Very high	136 Å²	136	46.1 Å²	46.1	59%	0.591	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	-9.2	-178.9	-58.9	-154.5	176.3	-166	0	114.7	Y891 C899	Y891-K896 HydrophobicContact CD2-CB 4.15Å; Y891-K896 HydrophobicContact CD2-CD 4.36Å; Y891-K896 HydrophobicContact CD2-CG 3.79Å; Y891-K896 HydrophobicContact CE2-CB 4.41Å; Y891-K896 HydrophobicContact CE2-CD 3.78Å; Y891-K896 HydrophobicContact CE2-CG 3.62Å; Y891-K896 WeakPolarHBondContact OH-CE 3.44Å; Y891-K896 PolarHBondContact OH-NZ 3.04Å; Y891-K896 VanDerWaalsContact OH-NZ 3.15Å; K896-C899 PolarHBondContact O-SG 2.93Å; K896-C899 VanDerWaalsContact O-SG 3.4Å
897	R	89.4	Confident	94.2	Very high	182 Å²	182	45.3 Å²	45.3	69%	0.687	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	-16.4	175.6	-55.7	166.6	-62	172.8	10.6	112.5	D895 C899 P1156	D895-R897 PolarHBondContact O-N 3.31Å; D895-R897 WeakPolarHBondContact OD1-CB 3.45Å; D895-R897 WeakPolarHBondContact OD1-CG 3.47Å; D895-R897 IonicContact OD1-CZ 3.5Å; D895-R897 PolarHBondContact OD1-N 2.96Å; D895-R897 IonicContact OD1-NE 3.4Å; D895-R897 PolarHBondContact OD1-NE 3.05Å; D895-R897 IonicContact OD1-NH2 3.52Å; D895-R897 IonicContact OD2-CZ 3.35Å; D895-R897 IonicContact OD2-NE 3.53Å; D895-R897 PolarHBondContact OD2-NE 2.85Å; D895-R897 IonicContact OD2-NH2 2.76Å; D895-R897 PolarHBondContact OD2-NH2 3.13Å; R897-C899 PolarHBondContact O-N 3.14Å; R897-P1156 HydrophobicContact CB-CG 4.33Å
898	Q	91.9	Very high	93.9	Very high	82 Å²	82	47.3 Å²	47.3	38%	0.383	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	86.6	178.6	-64.6	-179.9	49.3	0	0	108.7	Y891 L892 D895 F900	Y891-Q898 WeakPolarHBondContact CA-O 3.5Å; L892-Q898 HydrophobicContact CB-CB 4.4Å; L892-Q898 HydrophobicContact CD1-CB 4.06Å; L892-Q898 PolarHBondContact N-O 2.67Å; L892-Q898 VanDerWaalsContact N-O 3.09Å; D895-Q898 HydrophobicContact CB-CG 4.14Å; D895-Q898 PolarHBondContact O-N 3.45Å; D895-Q898 PolarHBondContact OD2-NE2 3.31Å; Q898-F900 HydrophobicContact CB-CE2 3.99Å; Q898-F900 HydrophobicContact CB-CZ 4.37Å; Q898-F900 WeakPolarHBondContact O-CD2 3.23Å; Q898-F900 VanDerWaalsContact O-CE2 3.25Å; Q898-F900 WeakPolarHBondContact O-CE2 3.46Å
899	C	94.9	Very high	93.4	Very high	15 Å²	15	49.9 Å²	49.9	10%	0.101	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	146.7	-177.2	-65	0	0	0	0	112.3	L889 V890 K896 R897 V953 P1156	L889-C899 HydrophobicContact CD1-CB 4.04Å; V890-C899 CarbonylContact O-C 3.46Å; V890-C899 VanDerWaalsContact O-CA 3.24Å; V890-C899 WeakPolarHBondContact O-CA 3.34Å; K896-C899 PolarHBondContact O-SG 2.93Å; K896-C899 VanDerWaalsContact O-SG 3.4Å; R897-C899 PolarHBondContact O-N 3.14Å; C899-V953 HydrophobicContact CB-CG1 4.14Å; C899-V953 WeakPolarHBondContact O-CG1 3.41Å; C899-P1156 HydrophobicContact CB-CB 4.39Å; C899-P1156 VanDerWaalsContact SG-CB 3.59Å; C899-P1156 PolarHBondContact SG-O 2.83Å; C899-P1156 VanDerWaalsContact SG-O 3.38Å
900	F	96.4	Very high	93	Very high	12 Å²	12	49.9 Å²	49.9	5%	0.053	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	156.9	-173.6	-56.5	-89.6	0	0	0	110.9	F865 F873 V890 L892 Q898 Y938 L950	F865-F900 AromaticContact CE1-CE1 3.64Å; F865-F900 HydrophobicContact CE1-CE1 3.64Å; F865-F900 HydrophobicContact CE1-CE2 4.41Å; F865-F900 AromaticContact CE1-CZ 3.55Å; F865-F900 HydrophobicContact CE1-CZ 3.55Å; F865-F900 AromaticContact CZ-CE1 3.65Å; F865-F900 HydrophobicContact CZ-CE1 3.65Å; F865-F900 AromaticContact CZ-CZ 3.71Å; F865-F900 HydrophobicContact CZ-CZ 3.71Å; F873-F900 HydrophobicContact CD1-CD2 4.47Å; F873-F900 AromaticContact CE1-CD2 3.79Å; F873-F900 HydrophobicContact CE1-CD2 3.79Å; F873-F900 HydrophobicContact CE1-CE2 4.17Å; F873-F900 HydrophobicContact CE1-CG 4.46Å; V890-F900 HydrophobicContact CG2-CB 3.91Å; V890-F900 PolarHBondContact N-O 2.84Å; V890-F900 PolarHBondContact O-N 2.71Å; L892-F900 HydrophobicContact CD1-CE2 3.82Å; L892-F900 HydrophobicContact CD1-CZ 4.25Å; L892-F900 HydrophobicContact CG-CE2 3.91Å; Q898-F900 HydrophobicContact CB-CE2 3.99Å; Q898-F900 HydrophobicContact CB-CZ 4.37Å; Q898-F900 WeakPolarHBondContact O-CD2 3.23Å; Q898-F900 VanDerWaalsContact O-CE2 3.25Å; Q898-F900 WeakPolarHBondContact O-CE2 3.46Å; F900-Y938 AromaticContact CD1-CD2 3.67Å; F900-Y938 HydrophobicContact CD1-CD2 3.67Å; F900-Y938 AromaticContact CD1-CE2 3.65Å; F900-Y938 HydrophobicContact CD1-CE2 3.65Å; F900-Y938 AromaticContact CE1-CD2 3.85Å; F900-Y938 HydrophobicContact CE1-CD2 3.85Å; F900-Y938 AromaticContact CE1-CE2 3.74Å; F900-Y938 HydrophobicContact CE1-CE2 3.74Å; F900-Y938 HydrophobicContact CE1-CG 4.39Å; F900-L950 HydrophobicContact CB-CD1 3.54Å; F900-L950 HydrophobicContact CB-CG 4.24Å; F900-L950 HydrophobicContact CD1-CD1 4.42Å; F900-L950 HydrophobicContact CD1-CG 4.33Å; F900-L950 HydrophobicContact CG-CD1 3.95Å; F900-L950 HydrophobicContact CG-CG 4.36Å
901	A	96.9	Very high	92.5	Very high	9 Å²	9	52.1 Å²	52.1	7%	0.074	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	111.5	172.8	0	0	0	0	0	109.8	I879 V887 L951 V953	I879-A901 HydrophobicContact CD1-CB 4.23Å; V887-A901 HydrophobicContact CG1-CB 3.93Å; A901-L951 HydrophobicContact CB-CB 4.22Å; A901-L951 PolarHBondContact N-O 3.27Å; A901-L951 WeakPolarHBondContact O-CB 3.47Å; A901-L951 PolarHBondContact O-N 3.02Å; A901-V953 HydrophobicContact CB-CB 4.38Å
902	L	96.7	Very high	91.7	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	99.2	-178.7	-168.5	67.9	0	0	0	109.9	L870 V887 Q888 V890 K904 Y948 L950	L870-L902 HydrophobicContact CD1-CD2 4.02Å; V887-L902 WeakPolarHBondContact CA-O 3.45Å; Q888-L902 PolarHBondContact N-O 2.81Å; Q888-L902 PolarHBondContact O-N 2.65Å; V890-L902 HydrophobicContact CG1-CB 3.82Å; V890-L902 HydrophobicContact CG1-CD2 3.9Å; V890-L902 HydrophobicContact CG2-CB 4.15Å; L902-K904 PolarHBondContact O-N 3.03Å; L902-Y948 HydrophobicContact CD2-CD1 3.99Å; L902-Y948 HydrophobicContact CG-CD1 4.2Å; L902-L950 HydrophobicContact CD1-CB 4.27Å; L902-L950 HydrophobicContact CD1-CD1 3.94Å
903	K	95.6	Very high	90.8	Very high	30 Å²	30	56.1 Å²	56.1	13%	0.13	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	101.1	175.3	-175.4	-177.1	-162.2	-173.2	0	108.1	V887 L905 E922 Y948 I949 L951 D1015	V887-K903 HydrophobicContact CG2-CB 4.27Å; V887-K903 HydrophobicContact CG2-CG 4.21Å; K903-L905 HydrophobicContact CD-CD2 4.41Å; K903-L905 HydrophobicContact CG-CD2 3.82Å; K903-L905 HydrophobicContact CG-CG 4.25Å; K903-E922 IonicContact NZ-OE1 3.55Å; K903-E922 PolarHBondContact NZ-OE1 3.08Å; K903-E922 IonicContact NZ-OE2 3.63Å; K903-E922 PolarHBondContact NZ-OE2 2.79Å; K903-Y948 WeakPolarHBondContact O-CA 3.42Å; K903-I949 HydrophobicContact CB-CB 4.22Å; K903-I949 PolarHBondContact N-O 2.76Å; K903-I949 PolarHBondContact O-N 2.85Å; K903-L951 HydrophobicContact CB-CD1 4.16Å; K903-D1015 IonicContact NZ-OD1 2.84Å; K903-D1015 PolarHBondContact NZ-OD1 3.19Å
904	K	95.3	Very high	90.1	Very high	43 Å²	43	57.5 Å²	57.5	19%	0.187	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	115.5	-178.7	-178.7	179.8	-174.2	-177.3	0	110	G885 R886 L902 Y946 L947 Y948	G885-K904 CarbonylContact C-O 3.19Å; G885-K904 WeakPolarHBondContact CA-O 3.21Å; R886-K904 PolarHBondContact N-O 2.62Å; R886-K904 PolarHBondContact O-N 3.46Å; L902-K904 PolarHBondContact O-N 3.03Å; K904-Y946 HydrophobicContact CD-CD1 4.23Å; K904-Y946 HydrophobicContact CD-CE1 4.36Å; K904-Y946 HydrophobicContact CD-CG 4.48Å; K904-Y946 VanDerWaalsContact CE-CD1 3.45Å; K904-Y946 VanDerWaalsContact CE-CE1 3.47Å; K904-Y946 VanDerWaalsContact CE-CG 3.46Å; K904-Y946 HydrophobicContact CG-CD1 3.85Å; K904-Y946 HydrophobicContact CG-CE1 4.38Å; K904-Y946 HydrophobicContact CG-CG 4.19Å; K904-L947 CarbonylContact C-O 3.58Å; K904-L947 WeakPolarHBondContact CA-O 3.49Å; K904-Y948 HydrophobicContact CB-CD1 4.12Å; K904-Y948 HydrophobicContact CB-CE1 4.28Å; K904-Y948 HydrophobicContact CD-CD1 4.34Å; K904-Y948 HydrophobicContact CD-CE1 3.66Å; K904-Y948 HydrophobicContact CG-CD1 3.91Å; K904-Y948 HydrophobicContact CG-CE1 3.62Å
905	L	94.2	Very high	89.6	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.9	-171.6	-52	177	0	0	0	111.6	F884 K903 K907 I910 V919 Y946 L947 I949	F884-L905 HydrophobicContact CB-CD2 4.32Å; F884-L905 WeakPolarHBondContact O-CA 3.4Å; K903-L905 HydrophobicContact CD-CD2 4.41Å; K903-L905 HydrophobicContact CG-CD2 3.82Å; K903-L905 HydrophobicContact CG-CG 4.25Å; L905-K907 PolarHBondContact O-N 3.49Å; L905-I910 HydrophobicContact CB-CD1 3.9Å; L905-I910 HydrophobicContact CD1-CD1 4.44Å; L905-V919 HydrophobicContact CD1-CG1 4.09Å; L905-V919 HydrophobicContact CD1-CG2 4.42Å; L905-Y946 CarbonylContact O-C 3.55Å; L905-Y946 WeakPolarHBondContact O-CA 3.12Å; L905-L947 PolarHBondContact N-O 3.21Å; L905-L947 PolarHBondContact O-N 2.69Å; L905-I949 HydrophobicContact CD1-CD1 4.04Å
906	K	93.4	Very high	89.4	Confident	48 Å²	48	51.5 Å²	51.5	21%	0.209	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	113	-179	-61	-176.1	178	-175.2	0	111.1	F884 H908 Y909 I910 Y946 E1168 P1172	F884-K906 PolarHBondContact O-N 2.95Å; K906-H908 PolarHBondContact O-N 2.88Å; K906-Y909 PolarHBondContact O-N 2.82Å; K906-Y909 VanDerWaalsContact O-N 3.17Å; K906-I910 WeakPolarHBondContact O-CG1 3.42Å; K906-I910 PolarHBondContact O-N 3.12Å; K906-I910 VanDerWaalsContact O-N 3.14Å; K906-Y946 HydrophobicContact CG-CD1 4.31Å; K906-Y946 HydrophobicContact CG-CE1 4.03Å; K906-E1168 WeakPolarHBondContact CE-OE1 3.21Å; K906-E1168 IonicContact NZ-OE1 2.69Å; K906-E1168 PolarHBondContact NZ-OE1 2.8Å; K906-P1172 HydrophobicContact CB-CB 4.43Å; K906-P1172 HydrophobicContact CB-CG 4.35Å; K906-P1172 HydrophobicContact CD-CB 4.19Å; K906-P1172 HydrophobicContact CD-CG 4.31Å; K906-P1172 HydrophobicContact CG-CB 4.4Å; K906-P1172 HydrophobicContact CG-CG 4.11Å
907	K	93.8	Very high	89.1	Confident	7 Å²	7	49.5 Å²	49.5	3%	0.03	23%	0.226	C	C	.	.	H	α-helix	trans	-57.1	-52.1	-176	-75.8	172.6	54.2	170.1	0	112.8	L905 Y909 I910 V911 D943 R945 L947 D1175 D1180	L905-K907 PolarHBondContact O-N 3.49Å; K907-Y909 VanDerWaalsContact C-N 3.25Å; K907-Y909 PolarHBondContact O-N 2.66Å; K907-I910 PolarHBondContact O-N 3.37Å; K907-I910 VanDerWaalsContact O-N 3.1Å; K907-V911 PolarHBondContact O-N 3.39Å; K907-D943 WeakPolarHBondContact CD-O 3.33Å; K907-D943 PolarHBondContact NZ-O 3.09Å; K907-R945 WeakPolarHBondContact CB-O 3.24Å; K907-R945 PolarHBondContact N-O 2.94Å; K907-L947 HydrophobicContact CD-CD2 3.82Å; K907-L947 HydrophobicContact CD-CG 4.23Å; K907-L947 HydrophobicContact CG-CD2 3.91Å; K907-L947 HydrophobicContact CG-CG 3.76Å; K907-D1175 HydrophobicContact CB-CB 3.84Å; K907-D1175 WeakPolarHBondContact CE-O 3.49Å; K907-D1175 PolarHBondContact NZ-O 3.29Å; K907-D1180 VanDerWaalsContact CE-OD2 3.25Å; K907-D1180 WeakPolarHBondContact CE-OD2 3.36Å; K907-D1180 IonicContact NZ-OD1 2.68Å; K907-D1180 PolarHBondContact NZ-OD1 2.83Å; K907-D1180 IonicContact NZ-OD2 2.64Å; K907-D1180 PolarHBondContact NZ-OD2 2.84Å
908	H	88.6	Confident	88.6	Confident	77 Å²	77	41.4 Å²	41.4	36%	0.356	20%	0.196	S	C	.	.	H	α-helix	trans	-48.7	-44.3	175.6	170	53.4	0	0	0	113.3	K906 V911 E912 P1173	K906-H908 PolarHBondContact O-N 2.88Å; H908-V911 PolarHBondContact O-N 3.29Å; H908-E912 PolarHBondContact O-N 2.71Å; H908-P1173 HydrophobicContact CB-CB 4.34Å
909	Y	85.2	Confident	88.6	Confident	73 Å²	73	37.7 Å²	37.7	29%	0.286	18%	0.179	S	C	.	.	H	α-helix	trans	-76.1	-31.4	-177	-169.9	-109.7	0	0	0	112.9	G883 F884 K906 K907 V911 E912 T913	G883-Y909 VanDerWaalsContact O-CE1 3.25Å; G883-Y909 WeakPolarHBondContact O-CE1 3.27Å; F884-Y909 HydrophobicContact CB-CD1 4.3Å; F884-Y909 AromaticContact CD1-CD1 3.79Å; F884-Y909 HydrophobicContact CD1-CD1 3.79Å; F884-Y909 AromaticContact CD1-CE1 3.84Å; F884-Y909 HydrophobicContact CD1-CE1 3.84Å; F884-Y909 HydrophobicContact CE1-CE1 4.43Å; K906-Y909 PolarHBondContact O-N 2.82Å; K906-Y909 VanDerWaalsContact O-N 3.17Å; K907-Y909 VanDerWaalsContact C-N 3.25Å; K907-Y909 PolarHBondContact O-N 2.66Å; Y909-V911 VanDerWaalsContact C-N 3.29Å; Y909-V911 PolarHBondContact O-N 2.93Å; Y909-E912 WeakPolarHBondContact CD2-OE2 3.48Å; Y909-E912 PolarHBondContact O-N 3.15Å; Y909-T913 HydrophobicContact CD1-CG2 4.25Å; Y909-T913 HydrophobicContact CD2-CG2 4.31Å; Y909-T913 HydrophobicContact CE1-CG2 3.83Å; Y909-T913 HydrophobicContact CE2-CG2 3.91Å; Y909-T913 HydrophobicContact CG-CG2 4.48Å; Y909-T913 WeakPolarHBondContact O-CB 3.46Å; Y909-T913 WeakPolarHBondContact O-CG2 3.42Å; Y909-T913 PolarHBondContact O-N 3.13Å; Y909-T913 PolarHBondContact O-OG1 2.8Å
910	I	87.3	Confident	88.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.1	-38.9	169.7	-60	161.9	0	0	0	110.3	F884 L905 K906 K907 T913 K914 Q915 Q916 V919 L947 W1179	F884-I910 HydrophobicContact CB-CG1 4.08Å; F884-I910 HydrophobicContact CG-CG1 4.4Å; L905-I910 HydrophobicContact CB-CD1 3.9Å; L905-I910 HydrophobicContact CD1-CD1 4.44Å; K906-I910 WeakPolarHBondContact O-CG1 3.42Å; K906-I910 PolarHBondContact O-N 3.12Å; K906-I910 VanDerWaalsContact O-N 3.14Å; K907-I910 PolarHBondContact O-N 3.37Å; K907-I910 VanDerWaalsContact O-N 3.1Å; I910-T913 PolarHBondContact O-OG1 2.79Å; I910-K914 PolarHBondContact O-N 3.07Å; I910-Q915 HydrophobicContact CG2-CB 4.24Å; I910-Q915 PolarHBondContact O-N 3.28Å; I910-Q916 HydrophobicContact CG2-CG 4.26Å; I910-V919 HydrophobicContact CD1-CG1 4.37Å; I910-V919 HydrophobicContact CD1-CG2 4.1Å; I910-V919 HydrophobicContact CG1-CG2 4.29Å; I910-V919 HydrophobicContact CG2-CG2 3.97Å; I910-L947 HydrophobicContact CD1-CD1 4.27Å; I910-W1179 HydrophobicContact CB-CH2 4.22Å; I910-W1179 HydrophobicContact CB-CZ2 4.08Å; I910-W1179 HydrophobicContact CD1-CH2 3.92Å; I910-W1179 HydrophobicContact CD1-CZ2 4.17Å; I910-W1179 HydrophobicContact CG2-CH2 3.66Å; I910-W1179 HydrophobicContact CG2-CZ2 3.89Å
911	V	85.8	Confident	87.8	Confident	47 Å²	47	40.6 Å²	40.6	29%	0.285	19%	0.193	S	C	.	.	H	α-helix	trans	-69.7	-45.3	176.9	176.4	0	0	0	0	111.8	K907 H908 Y909 T913 K914 Q916 D1175 W1179	K907-V911 PolarHBondContact O-N 3.39Å; H908-V911 PolarHBondContact O-N 3.29Å; Y909-V911 VanDerWaalsContact C-N 3.29Å; Y909-V911 PolarHBondContact O-N 2.93Å; V911-T913 PolarHBondContact O-N 2.99Å; V911-K914 PolarHBondContact O-N 3.5Å; V911-K914 VanDerWaalsContact O-N 3.13Å; V911-Q916 HydrophobicContact CG2-CG 4.41Å; V911-D1175 VanDerWaalsContact CG2-OD2 3.31Å; V911-D1175 WeakPolarHBondContact CG2-OD2 3.2Å; V911-W1179 HydrophobicContact CG2-CZ2 4.5Å; V911-W1179 VanDerWaalsContact CG2-NE1 3.35Å
912	E	81.2	Confident	87.5	Confident	88 Å²	88	40.4 Å²	40.4	41%	0.411	19%	0.191	S	C	.	.	H	α-helix	trans	-59.4	-44.8	176.6	-176.1	177.8	-147.8	0	0	111.8	H908 Y909 K914	H908-E912 PolarHBondContact O-N 2.71Å; Y909-E912 WeakPolarHBondContact CD2-OE2 3.48Å; Y909-E912 PolarHBondContact O-N 3.15Å; E912-K914 VanDerWaalsContact C-N 3.27Å; E912-K914 PolarHBondContact O-N 2.83Å
913	T	74.9	Confident	87.3	Confident	39 Å²	39	41.2 Å²	41.2	24%	0.239	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-4.2	177.7	57.9	0	0	0	0	114	F884 Y909 I910 V911 Q915	F884-T913 HydrophobicContact CE1-CG2 4.32Å; F884-T913 WeakPolarHBondContact CE1-OG1 3.46Å; Y909-T913 HydrophobicContact CD1-CG2 4.25Å; Y909-T913 HydrophobicContact CD2-CG2 4.31Å; Y909-T913 HydrophobicContact CE1-CG2 3.83Å; Y909-T913 HydrophobicContact CE2-CG2 3.91Å; Y909-T913 HydrophobicContact CG-CG2 4.48Å; Y909-T913 WeakPolarHBondContact O-CB 3.46Å; Y909-T913 WeakPolarHBondContact O-CG2 3.42Å; Y909-T913 PolarHBondContact O-N 3.13Å; Y909-T913 PolarHBondContact O-OG1 2.8Å; I910-T913 PolarHBondContact O-OG1 2.79Å; V911-T913 PolarHBondContact O-N 2.99Å; T913-Q915 WeakPolarHBondContact O-CG 3.29Å; T913-Q915 PolarHBondContact O-N 2.6Å; T913-Q915 PolarHBondContact O-NE2 2.83Å; T913-Q915 WeakPolarHBondContact OG1-CG 3.38Å
914	K	78	Confident	87	Confident	109 Å²	109	43.2 Å²	43.2	47%	0.474	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	37.1	-178.9	-49.5	-164.2	-177.1	-153.4	0	114.9	E582 I910 V911 E912 Q916	E582-K914 IonicContact OE1-NZ 2.88Å; E582-K914 PolarHBondContact OE1-NZ 2.93Å; E582-K914 IonicContact OE2-NZ 2.62Å; E582-K914 PolarHBondContact OE2-NZ 3.39Å; I910-K914 PolarHBondContact O-N 3.07Å; V911-K914 PolarHBondContact O-N 3.5Å; V911-K914 VanDerWaalsContact O-N 3.13Å; E912-K914 VanDerWaalsContact C-N 3.27Å; E912-K914 PolarHBondContact O-N 2.83Å; K914-Q916 VanDerWaalsContact CA-OE1 3.28Å
915	Q	81.1	Confident	86.8	Confident	24 Å²	24	41.3 Å²	41.3	11%	0.112	20%	0.198	C	C	.	.			trans	-101.7	17.2	-175.3	-56.1	-57.2	-68.4	0	0	114.1	F884 I910 T913 E917 H918 V919	F884-Q915 HydrophobicContact CE1-CB 4.2Å; F884-Q915 HydrophobicContact CE1-CG 3.71Å; F884-Q915 HydrophobicContact CZ-CB 4.14Å; F884-Q915 HydrophobicContact CZ-CG 3.69Å; I910-Q915 HydrophobicContact CG2-CB 4.24Å; I910-Q915 PolarHBondContact O-N 3.28Å; T913-Q915 WeakPolarHBondContact O-CG 3.29Å; T913-Q915 PolarHBondContact O-N 2.6Å; T913-Q915 PolarHBondContact O-NE2 2.83Å; T913-Q915 WeakPolarHBondContact OG1-CG 3.38Å; Q915-E917 VanDerWaalsContact C-N 3.3Å; Q915-E917 PolarHBondContact O-N 2.98Å; Q915-H918 PolarHBondContact O-N 2.78Å; Q915-H918 PolarHBondContact OE1-ND1 2.88Å; Q915-V919 PolarHBondContact O-N 2.96Å; Q915-V919 VanDerWaalsContact O-N 3.12Å
916	Q	87.4	Confident	86.7	Confident	50 Å²	50	41.3 Å²	41.3	23%	0.234	20%	0.198	C	C	.	.	H	α-helix	trans	-55.3	-43	-178.9	-60.4	91.6	-33.5	0	0	112.4	I910 V911 K914 H918 V919 I920 W1179	I910-Q916 HydrophobicContact CG2-CG 4.26Å; V911-Q916 HydrophobicContact CG2-CG 4.41Å; K914-Q916 VanDerWaalsContact CA-OE1 3.28Å; Q916-H918 VanDerWaalsContact C-N 3.3Å; Q916-H918 PolarHBondContact O-N 3.3Å; Q916-V919 PolarHBondContact O-N 2.79Å; Q916-I920 WeakPolarHBondContact O-CB 3.35Å; Q916-I920 VanDerWaalsContact O-CG1 3.31Å; Q916-I920 WeakPolarHBondContact O-CG1 3.5Å; Q916-I920 PolarHBondContact O-N 2.84Å; Q916-W1179 HydrophobicContact CB-CD2 3.99Å; Q916-W1179 HydrophobicContact CB-CE3 3.64Å; Q916-W1179 HydrophobicContact CB-CH2 4.44Å; Q916-W1179 HydrophobicContact CB-CZ3 3.89Å; Q916-W1179 HydrophobicContact CG-CD2 3.53Å; Q916-W1179 HydrophobicContact CG-CE3 3.72Å; Q916-W1179 HydrophobicContact CG-CG 3.93Å; Q916-W1179 HydrophobicContact CG-CH2 4.26Å; Q916-W1179 HydrophobicContact CG-CZ2 4.12Å; Q916-W1179 HydrophobicContact CG-CZ3 4.08Å
917	E	82.4	Confident	86.4	Confident	95 Å²	95	40.4 Å²	40.4	44%	0.444	20%	0.195	S	C	.	.	H	α-helix	trans	-63.2	-36	179.1	-159.8	-161.1	118.1	0	0	111.7	Q915 N921 K1020	Q915-E917 VanDerWaalsContact C-N 3.3Å; Q915-E917 PolarHBondContact O-N 2.98Å; E917-N921 WeakPolarHBondContact O-CB 3.45Å; E917-N921 PolarHBondContact O-N 2.88Å; E917-N921 PolarHBondContact O-ND2 2.94Å; E917-N921 VanDerWaalsContact O-ND2 3.13Å; E917-N921 PolarHBondContact OE1-ND2 2.81Å; E917-N921 VanDerWaalsContact OE1-ND2 3.15Å; E917-K1020 IonicContact OE1-NZ 3.45Å; E917-K1020 PolarHBondContact OE1-NZ 3.47Å
918	H	80.7	Confident	85.9	Confident	11 Å²	11	41.8 Å²	41.8	5%	0.051	20%	0.202	C	C	.	.	H	α-helix	trans	-72.3	-38.9	-179.2	-71.9	-154.9	0	0	0	111	E580 Q915 Q916 N921 E922 G1017 F1018	E580-H918 IonicContact OE1-NE2 2.83Å; E580-H918 IonicContact OE2-CD2 3.17Å; E580-H918 IonicContact OE2-CE1 2.66Å; E580-H918 IonicContact OE2-NE2 3.39Å; E580-H918 PolarHBondContact OE2-NE2 3.48Å; Q915-H918 PolarHBondContact O-N 2.78Å; Q915-H918 PolarHBondContact OE1-ND1 2.88Å; Q916-H918 VanDerWaalsContact C-N 3.3Å; Q916-H918 PolarHBondContact O-N 3.3Å; H918-N921 PolarHBondContact O-N 2.89Å; H918-E922 WeakPolarHBondContact O-CB 3.16Å; H918-E922 PolarHBondContact O-N 2.78Å; H918-G1017 WeakPolarHBondContact CB-O 3.23Å; H918-G1017 PolarHBondContact ND1-O 2.68Å; H918-F1018 AromaticContact ND1-CD1 3.58Å; H918-F1018 AromaticContact ND1-CE1 3.71Å
919	V	90	Very high	85.8	Confident	5 Å²	5	38.2 Å²	38.2	3%	0.03	19%	0.185	C	C	.	.	H	α-helix	trans	-70.3	-37.8	176.6	176	0	0	0	0	111.6	L905 I910 Q915 Q916 K923 L947 W1179 F1183	L905-V919 HydrophobicContact CD1-CG1 4.09Å; L905-V919 HydrophobicContact CD1-CG2 4.42Å; I910-V919 HydrophobicContact CD1-CG1 4.37Å; I910-V919 HydrophobicContact CD1-CG2 4.1Å; I910-V919 HydrophobicContact CG1-CG2 4.29Å; I910-V919 HydrophobicContact CG2-CG2 3.97Å; Q915-V919 PolarHBondContact O-N 2.96Å; Q915-V919 VanDerWaalsContact O-N 3.12Å; Q916-V919 PolarHBondContact O-N 2.79Å; V919-K923 PolarHBondContact O-N 2.84Å; V919-K923 VanDerWaalsContact O-N 3.14Å; V919-L947 HydrophobicContact CG1-CD1 3.91Å; V919-W1179 HydrophobicContact CB-CH2 4.48Å; V919-W1179 HydrophobicContact CB-CZ3 4.49Å; V919-W1179 HydrophobicContact CG1-CH2 4.31Å; V919-W1179 HydrophobicContact CG1-CZ3 4.44Å; V919-F1183 HydrophobicContact CG1-CE1 4.32Å; V919-F1183 HydrophobicContact CG1-CE2 4.43Å; V919-F1183 HydrophobicContact CG1-CZ 3.7Å
920	I	90	Very high	85.8	Confident	49 Å²	49	38.9 Å²	38.9	25%	0.251	19%	0.194	S	C	.	.	H	α-helix	trans	-66.1	-44.8	171.6	-68.6	165.8	0	0	0	111	Q916 K923 N924 W1179 F1183	Q916-I920 WeakPolarHBondContact O-CB 3.35Å; Q916-I920 VanDerWaalsContact O-CG1 3.31Å; Q916-I920 WeakPolarHBondContact O-CG1 3.5Å; Q916-I920 PolarHBondContact O-N 2.84Å; I920-K923 PolarHBondContact O-N 3.14Å; I920-N924 WeakPolarHBondContact CG2-ND2 3.3Å; I920-N924 WeakPolarHBondContact O-CB 3.23Å; I920-N924 PolarHBondContact O-N 2.76Å; I920-N924 PolarHBondContact O-ND2 2.93Å; I920-W1179 HydrophobicContact CD1-CE3 4.07Å; I920-W1179 HydrophobicContact CD1-CZ3 4.47Å; I920-W1179 HydrophobicContact CG1-CE3 4.31Å; I920-W1179 HydrophobicContact CG1-CZ3 4.26Å; I920-F1183 HydrophobicContact CG1-CE2 4.17Å
921	N	84.8	Confident	86	Confident	38 Å²	38	40.7 Å²	40.7	20%	0.203	20%	0.202	C	C	.	.	H	α-helix	trans	-65.3	-41.7	178.4	-77	-29.7	0	0	0	111.9	E917 H918 K923 N924 I925	E917-N921 WeakPolarHBondContact O-CB 3.45Å; E917-N921 PolarHBondContact O-N 2.88Å; E917-N921 PolarHBondContact O-ND2 2.94Å; E917-N921 VanDerWaalsContact O-ND2 3.13Å; E917-N921 PolarHBondContact OE1-ND2 2.81Å; E917-N921 VanDerWaalsContact OE1-ND2 3.15Å; H918-N921 PolarHBondContact O-N 2.89Å; N921-K923 PolarHBondContact O-N 2.88Å; N921-N924 PolarHBondContact O-N 3.01Å; N921-I925 VanDerWaalsContact O-CB 3.28Å; N921-I925 WeakPolarHBondContact O-CB 3.35Å; N921-I925 VanDerWaalsContact O-CG1 3.29Å; N921-I925 WeakPolarHBondContact O-CG1 3.26Å; N921-I925 PolarHBondContact O-N 2.95Å
922	E	91.7	Very high	86.2	Confident	6 Å²	6	41.3 Å²	41.3	3%	0.028	20%	0.202	C	C	.	.	H	α-helix	trans	-56.1	-51	173.3	173.4	168.2	-139.7	0	0	110.6	K903 H918 N924 L926 F1016	K903-E922 IonicContact NZ-OE1 3.55Å; K903-E922 PolarHBondContact NZ-OE1 3.08Å; K903-E922 IonicContact NZ-OE2 3.63Å; K903-E922 PolarHBondContact NZ-OE2 2.79Å; H918-E922 WeakPolarHBondContact O-CB 3.16Å; H918-E922 PolarHBondContact O-N 2.78Å; E922-N924 PolarHBondContact O-N 2.97Å; E922-L926 HydrophobicContact CG-CD1 3.67Å; E922-L926 HydrophobicContact CG-CG 4.4Å; E922-L926 VanDerWaalsContact O-CB 3.31Å; E922-L926 WeakPolarHBondContact O-CB 3.47Å; E922-L926 WeakPolarHBondContact O-CG 3.43Å; E922-L926 PolarHBondContact O-N 2.79Å; E922-F1016 HydrophobicContact CG-CB 4.1Å; E922-F1016 PolarHBondContact OE1-N 3.35Å; E922-F1016 VanDerWaalsContact OE1-N 3.14Å
923	K	92.3	Very high	87	Confident	21 Å²	21	37.2 Å²	37.2	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-56.3	-54.5	176.8	-169.5	-158.5	78.9	-179.7	0	110.9	V919 I920 N921 I925 L926 M927 L937 T940 D1182 F1183	V919-K923 PolarHBondContact O-N 2.84Å; V919-K923 VanDerWaalsContact O-N 3.14Å; I920-K923 PolarHBondContact O-N 3.14Å; N921-K923 PolarHBondContact O-N 2.88Å; K923-I925 PolarHBondContact O-N 2.88Å; K923-L926 PolarHBondContact O-N 2.92Å; K923-M927 HydrophobicContact CG-CG 4.29Å; K923-M927 WeakPolarHBondContact O-CB 3.43Å; K923-M927 VanDerWaalsContact O-CG 3.24Å; K923-M927 WeakPolarHBondContact O-CG 3.28Å; K923-M927 PolarHBondContact O-N 3.4Å; K923-L937 HydrophobicContact CG-CD2 4.24Å; K923-T940 HydrophobicContact CD-CG2 3.67Å; K923-T940 HydrophobicContact CG-CG2 3.62Å; K923-D1182 PolarHBondContact NZ-O 2.8Å; K923-F1183 HydrophobicContact CB-CE1 4.22Å; K923-F1183 HydrophobicContact CB-CE2 4.41Å; K923-F1183 HydrophobicContact CB-CZ 3.75Å; K923-F1183 HydrophobicContact CD-CD1 4.23Å; K923-F1183 HydrophobicContact CD-CD2 4.22Å; K923-F1183 HydrophobicContact CD-CE1 4Å; K923-F1183 HydrophobicContact CD-CE2 4Å; K923-F1183 HydrophobicContact CD-CG 4.32Å; K923-F1183 HydrophobicContact CD-CZ 3.87Å; K923-F1183 HydrophobicContact CG-CE1 4.23Å; K923-F1183 HydrophobicContact CG-CZ 4.14Å
924	N	89.8	Confident	88	Confident	72 Å²	72	35.4 Å²	35.4	39%	0.385	17%	0.172	S	C	.	.	H	α-helix	trans	-63.4	-41.3	-173.4	-69.3	-12.5	0	0	0	111.9	I920 N921 E922 E928	I920-N924 WeakPolarHBondContact CG2-ND2 3.3Å; I920-N924 WeakPolarHBondContact O-CB 3.23Å; I920-N924 PolarHBondContact O-N 2.76Å; I920-N924 PolarHBondContact O-ND2 2.93Å; N921-N924 PolarHBondContact O-N 3.01Å; E922-N924 PolarHBondContact O-N 2.97Å; N924-E928 WeakPolarHBondContact O-CG 3.22Å; N924-E928 PolarHBondContact O-N 2.57Å
925	I	90.2	Very high	88.8	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-68.6	-44.8	177.9	-70.1	170.1	0	0	0	110.9	N921 K923 E928 T929 I993 F1016 A1019	N921-I925 VanDerWaalsContact O-CB 3.28Å; N921-I925 WeakPolarHBondContact O-CB 3.35Å; N921-I925 VanDerWaalsContact O-CG1 3.29Å; N921-I925 WeakPolarHBondContact O-CG1 3.26Å; N921-I925 PolarHBondContact O-N 2.95Å; K923-I925 PolarHBondContact O-N 2.88Å; I925-E928 VanDerWaalsContact O-CG 3.3Å; I925-E928 WeakPolarHBondContact O-CG 2.85Å; I925-E928 PolarHBondContact O-N 3.42Å; I925-T929 HydrophobicContact CG2-CG2 4.43Å; I925-T929 WeakPolarHBondContact O-CG2 3.45Å; I925-T929 PolarHBondContact O-N 2.79Å; I925-I993 HydrophobicContact CD1-CG2 4.24Å; I925-I993 HydrophobicContact CG2-CD1 4.25Å; I925-I993 HydrophobicContact CG2-CG2 4.22Å; I925-F1016 HydrophobicContact CG2-CD1 3.61Å; I925-F1016 HydrophobicContact CG2-CE1 4.21Å; I925-F1016 HydrophobicContact CG2-CG 4.47Å; I925-A1019 HydrophobicContact CD1-CB 3.75Å; I925-A1019 WeakPolarHBondContact CD1-O 3.47Å; I925-A1019 HydrophobicContact CG2-CB 4.35Å
926	L	92	Very high	89.4	Confident	4 Å²	4	30.7 Å²	30.7	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-64.9	-41.3	177.7	-74.5	173.2	0	0	0	112	E922 K923 E928 T929 L937 L951 F1016	E922-L926 HydrophobicContact CG-CD1 3.67Å; E922-L926 HydrophobicContact CG-CG 4.4Å; E922-L926 VanDerWaalsContact O-CB 3.31Å; E922-L926 WeakPolarHBondContact O-CB 3.47Å; E922-L926 WeakPolarHBondContact O-CG 3.43Å; E922-L926 PolarHBondContact O-N 2.79Å; K923-L926 PolarHBondContact O-N 2.92Å; L926-E928 VanDerWaalsContact C-N 3.3Å; L926-E928 PolarHBondContact O-N 3.17Å; L926-T929 PolarHBondContact O-N 3.34Å; L926-T929 VanDerWaalsContact O-N 3.12Å; L926-T929 PolarHBondContact O-OG1 2.71Å; L926-L937 HydrophobicContact CB-CB 3.79Å; L926-L937 HydrophobicContact CB-CD2 3.7Å; L926-L937 HydrophobicContact CB-CG 4.42Å; L926-L951 HydrophobicContact CD1-CD2 4.05Å; L926-F1016 HydrophobicContact CD1-CB 4.44Å; L926-F1016 HydrophobicContact CD2-CB 4.26Å; L926-F1016 HydrophobicContact CD2-CD2 3.5Å; L926-F1016 VanDerWaalsContact CD2-CD2 3.5Å; L926-F1016 HydrophobicContact CD2-CE2 3.93Å; L926-F1016 HydrophobicContact CD2-CG 3.85Å; L926-F1016 HydrophobicContact CG-CB 4.05Å; L926-F1016 HydrophobicContact CG-CD2 4.22Å; L926-F1016 HydrophobicContact CG-CG 4.17Å
927	M	87.6	Confident	89.7	Confident	30 Å²	30	28.4 Å²	28.4	15%	0.148	14%	0.14	C	C	.	.	H	α-helix	trans	-58.3	-39.5	175.9	-76.7	-55.9	-59.3	0	0	112.6	I858 E862 K923 T929 L937	I858-M927 HydrophobicContact CG2-CE 4.46Å; E862-M927 HydrophobicContact CG-CE 3.62Å; E862-M927 WeakPolarHBondContact OE1-CE 3.4Å; K923-M927 HydrophobicContact CG-CG 4.29Å; K923-M927 WeakPolarHBondContact O-CB 3.43Å; K923-M927 VanDerWaalsContact O-CG 3.24Å; K923-M927 WeakPolarHBondContact O-CG 3.28Å; K923-M927 PolarHBondContact O-N 3.4Å; M927-T929 VanDerWaalsContact C-N 3.31Å; M927-T929 PolarHBondContact O-N 3.18Å; M927-L937 HydrophobicContact CG-CD2 3.69Å; M927-L937 HydrophobicContact CG-CG 4.35Å; M927-L937 HydrophobicContact SD-CB 4.44Å; M927-L937 HydrophobicContact SD-CD2 3.59Å; M927-L937 VanDerWaalsContact SD-CD2 3.59Å; M927-L937 HydrophobicContact SD-CG 3.59Å; M927-L937 VanDerWaalsContact SD-CG 3.59Å
928	E	82.8	Confident	90.2	Very high	36 Å²	36	25.9 Å²	25.9	17%	0.168	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	3	179	73.1	172.2	162.6	0	0	114.5	N924 I925 L926 R991 R1021	N924-E928 WeakPolarHBondContact O-CG 3.22Å; N924-E928 PolarHBondContact O-N 2.57Å; I925-E928 VanDerWaalsContact O-CG 3.3Å; I925-E928 WeakPolarHBondContact O-CG 2.85Å; I925-E928 PolarHBondContact O-N 3.42Å; L926-E928 VanDerWaalsContact C-N 3.3Å; L926-E928 PolarHBondContact O-N 3.17Å; E928-R991 PolarHBondContact O-NH2 2.55Å; E928-R1021 IonicContact OE1-CZ 3.22Å; E928-R1021 VanDerWaalsContact OE1-CZ 3.25Å; E928-R1021 IonicContact OE1-NE 3.51Å; E928-R1021 PolarHBondContact OE1-NE 2.93Å; E928-R1021 IonicContact OE1-NH2 2.7Å; E928-R1021 PolarHBondContact OE1-NH2 2.97Å; E928-R1021 IonicContact OE2-CZ 3.59Å; E928-R1021 IonicContact OE2-NE 3.82Å; E928-R1021 IonicContact OE2-NH2 3.02Å; E928-R1021 PolarHBondContact OE2-NH2 2.78Å
929	T	86.4	Confident	90.7	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.012	14%	0.138	C	C	.	.			trans	-95.7	138.7	176.6	62.8	0	0	0	0	112.6	R861 I925 L926 M927 I934 Y987 L988	R861-T929 PolarHBondContact NH2-O 3.48Å; I925-T929 HydrophobicContact CG2-CG2 4.43Å; I925-T929 WeakPolarHBondContact O-CG2 3.45Å; I925-T929 PolarHBondContact O-N 2.79Å; L926-T929 PolarHBondContact O-N 3.34Å; L926-T929 VanDerWaalsContact O-N 3.12Å; L926-T929 PolarHBondContact O-OG1 2.71Å; M927-T929 VanDerWaalsContact C-N 3.31Å; M927-T929 PolarHBondContact O-N 3.18Å; T929-I934 HydrophobicContact CG2-CD1 4.5Å; T929-Y987 HydrophobicContact CG2-CE1 4.05Å; T929-L988 HydrophobicContact CG2-CD2 4.09Å
930	N	85.7	Confident	91	Very high	87 Å²	87	29.6 Å²	29.6	47%	0.465	14%	0.142	S	C	.	.			trans	-146.3	88.4	170.3	-168.9	35.6	0	0	0	108.5	R861 Y987	R861-N930 PolarHBondContact NH2-OD1 3.38Å; N930-Y987 PolarHBondContact N-OH 3.06Å; N930-Y987 WeakPolarHBondContact O-CE2 3.48Å; N930-Y987 PolarHBondContact O-OH 3.47Å
931	H	90.4	Very high	91.2	Very high	38 Å²	38	28.4 Å²	28.4	18%	0.176	14%	0.135	C	C	.	.			trans	-149.3	144.4	-177.6	-169.1	-111.5	0	0	0	109.7	F933 I934 E983 Y987	H931-F933 VanDerWaalsContact C-N 3.32Å; H931-F933 AromaticContact CE1-CD2 3.74Å; H931-F933 PolarHBondContact O-N 3.41Å; H931-I934 HydrophobicContact CB-CB 4.32Å; H931-I934 HydrophobicContact CB-CD1 3.99Å; H931-I934 HydrophobicContact CB-CG1 4.15Å; H931-I934 PolarHBondContact O-N 2.88Å; H931-I934 VanDerWaalsContact O-O 3.13Å; H931-E983 VanDerWaalsContact CE1-C 3.41Å; H931-E983 PolarHBondContact CE1-O 3.18Å; H931-E983 VanDerWaalsContact CE1-O 3.27Å; H931-Y987 HydrophobicContact CB-CD1 3.82Å; H931-Y987 HydrophobicContact CB-CD2 3.91Å; H931-Y987 HydrophobicContact CB-CE1 4.06Å; H931-Y987 HydrophobicContact CB-CE2 4.14Å; H931-Y987 HydrophobicContact CB-CG 3.75Å; H931-Y987 AromaticContact CD2-CD2 3.63Å; H931-Y987 AromaticContact CD2-CG 3.81Å; H931-Y987 AromaticContact CG-CD2 3.91Å; H931-Y987 AromaticContact CG-CG 3.72Å
932	E	91.4	Very high	91.7	Very high	59 Å²	59	30.3 Å²	30.3	28%	0.276	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-27.3	-167.1	-167.2	46.6	-141.8	0	0	113.3	I934 K936 K1012 R1143	E932-I934 VanDerWaalsContact C-N 3.34Å; E932-K936 IonicContact OE1-NZ 2.85Å; E932-K936 WeakPolarHBondContact OE2-CE 3.38Å; E932-K936 IonicContact OE2-NZ 2.69Å; E932-K936 PolarHBondContact OE2-NZ 2.84Å; E932-K1012 WeakPolarHBondContact O-CD 3.27Å; E932-K1012 WeakPolarHBondContact O-CE 3.49Å; E932-K1012 PolarHBondContact O-NZ 2.85Å; E932-K1012 IonicContact OE1-NZ 3.59Å; E932-K1012 PolarHBondContact OE1-NZ 3.03Å; E932-K1012 IonicContact OE2-NZ 3.44Å; E932-R1143 HydrophobicContact CG-CG 4.44Å; E932-R1143 IonicContact OE1-CZ 2.89Å; E932-R1143 IonicContact OE1-NH1 2.91Å; E932-R1143 PolarHBondContact OE1-NH1 3.17Å
933	F	96.4	Very high	91.9	Very high	3 Å²	3	32.8 Å²	32.8	1%	0.013	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	22.7	175.7	-49.3	-57.3	0	0	0	113.4	H931 C980 E983 A984 F1010 C1011 K1012 M1013 L1140	H931-F933 VanDerWaalsContact C-N 3.32Å; H931-F933 AromaticContact CE1-CD2 3.74Å; H931-F933 PolarHBondContact O-N 3.41Å; F933-C980 HydrophobicContact CD1-CB 4.14Å; F933-C980 HydrophobicContact CG-CB 4.23Å; F933-E983 HydrophobicContact CD2-CB 3.66Å; F933-E983 HydrophobicContact CD2-CG 4.35Å; F933-E983 HydrophobicContact CE2-CB 4.02Å; F933-E983 HydrophobicContact CE2-CG 4.22Å; F933-A984 HydrophobicContact CB-CB 4.18Å; F933-F1010 HydrophobicContact CE1-CB 4.46Å; F933-F1010 AromaticContact CE1-CD1 3.95Å; F933-F1010 HydrophobicContact CE1-CD1 3.95Å; F933-C1011 WeakPolarHBondContact CD1-O 3.35Å; F933-K1012 WeakPolarHBondContact O-CA 3.36Å; F933-M1013 PolarHBondContact O-N 2.98Å; F933-L1140 HydrophobicContact CE1-CD1 4.09Å; F933-L1140 HydrophobicContact CE2-CD1 4.42Å; F933-L1140 HydrophobicContact CE2-CD2 4.49Å; F933-L1140 HydrophobicContact CE2-CG 4.07Å; F933-L1140 HydrophobicContact CZ-CD1 3.7Å; F933-L1140 HydrophobicContact CZ-CG 3.74Å
934	I	96.2	Very high	91.9	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-129.3	136.4	172.6	-61.5	179.8	0	0	0	107.8	T929 H931 E932 K936 A984 Y987 L988 F1016	T929-I934 HydrophobicContact CG2-CD1 4.5Å; H931-I934 HydrophobicContact CB-CB 4.32Å; H931-I934 HydrophobicContact CB-CD1 3.99Å; H931-I934 HydrophobicContact CB-CG1 4.15Å; H931-I934 PolarHBondContact O-N 2.88Å; H931-I934 VanDerWaalsContact O-O 3.13Å; E932-I934 VanDerWaalsContact C-N 3.34Å; I934-K936 PolarHBondContact O-N 2.91Å; I934-A984 HydrophobicContact CD1-CB 4.35Å; I934-A984 HydrophobicContact CG1-CB 3.89Å; I934-Y987 HydrophobicContact CD1-CD1 3.77Å; I934-Y987 HydrophobicContact CD1-CE1 4.38Å; I934-L988 HydrophobicContact CD1-CD1 4.2Å; I934-L988 HydrophobicContact CD1-CD2 3.94Å; I934-L988 HydrophobicContact CD1-CG 3.89Å; I934-F1016 HydrophobicContact CD1-CZ 4.39Å; I934-F1016 HydrophobicContact CG1-CZ 4.49Å; I934-F1016 HydrophobicContact CG2-CE2 3.89Å; I934-F1016 HydrophobicContact CG2-CZ 3.69Å
935	V	96	Very high	92.2	Very high	3 Å²	3	37 Å²	37	2%	0.018	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-63.6	121.2	177	171.9	0	0	0	0	110.1	L951 E952 L1004 K1012 M1013	V935-L951 HydrophobicContact CG1-CB 3.98Å; V935-L951 HydrophobicContact CG1-CD2 4.28Å; V935-E952 HydrophobicContact CG1-CB 4.2Å; V935-L1004 HydrophobicContact CG2-CD1 4.31Å; V935-K1012 HydrophobicContact CG2-CB 3.99Å; V935-M1013 WeakPolarHBondContact CG2-O 3.08Å; V935-M1013 PolarHBondContact N-O 3.04Å
936	K	93.8	Very high	92.4	Very high	30 Å²	30	37.7 Å²	37.7	13%	0.13	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-75.5	133.7	-179.1	-63.3	154.8	-162.2	149.4	0	111.2	E932 I934 L951 E952	E932-K936 IonicContact OE1-NZ 2.85Å; E932-K936 WeakPolarHBondContact OE2-CE 3.38Å; E932-K936 IonicContact OE2-NZ 2.69Å; E932-K936 PolarHBondContact OE2-NZ 2.84Å; I934-K936 PolarHBondContact O-N 2.91Å; K936-L951 CarbonylContact O-C 3.55Å; K936-L951 WeakPolarHBondContact O-CA 3.37Å; K936-E952 HydrophobicContact CB-CB 4.1Å; K936-E952 WeakPolarHBondContact CD-OE2 2.98Å; K936-E952 WeakPolarHBondContact CG-OE2 3.03Å; K936-E952 PolarHBondContact N-OE2 2.88Å; K936-E952 IonicContact NZ-OE1 3.77Å; K936-E952 PolarHBondContact NZ-OE1 3.07Å; K936-E952 IonicContact NZ-OE2 3.22Å; K936-E952 PolarHBondContact O-N 3Å
937	L	94	Very high	92.6	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	139.2	162.8	175.6	53.8	0	0	0	109.8	R861 K923 L926 M927 R939 I949 L950 L951	R861-L937 PolarHBondContact NH1-O 3.32Å; R861-L937 VanDerWaalsContact NH1-O 3.08Å; K923-L937 HydrophobicContact CG-CD2 4.24Å; L926-L937 HydrophobicContact CB-CB 3.79Å; L926-L937 HydrophobicContact CB-CD2 3.7Å; L926-L937 HydrophobicContact CB-CG 4.42Å; M927-L937 HydrophobicContact CG-CD2 3.69Å; M927-L937 HydrophobicContact CG-CG 4.35Å; M927-L937 HydrophobicContact SD-CB 4.44Å; M927-L937 HydrophobicContact SD-CD2 3.59Å; M927-L937 VanDerWaalsContact SD-CD2 3.59Å; M927-L937 HydrophobicContact SD-CG 3.59Å; M927-L937 VanDerWaalsContact SD-CG 3.59Å; L937-R939 VanDerWaalsContact CD1-O 3.3Å; L937-R939 WeakPolarHBondContact CD1-O 3.48Å; L937-I949 HydrophobicContact CD1-CG2 3.46Å; L937-I949 VanDerWaalsContact CD1-CG2 3.46Å; L937-I949 HydrophobicContact CD2-CG2 4.21Å; L937-I949 HydrophobicContact CG-CG2 4.47Å; L937-L950 VanDerWaalsContact CD1-O 3.31Å; L937-L950 WeakPolarHBondContact CD1-O 3.21Å; L937-L951 HydrophobicContact CB-CD2 4.01Å; L937-L951 HydrophobicContact CD1-CD2 4.01Å
938	Y	91.7	Very high	93	Very high	43 Å²	43	36.8 Å²	36.8	17%	0.169	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-43.9	177	-62.5	-72.6	0	0	0	112.9	F865 F900 L950 E952	F865-Y938 HydrophobicContact CD2-CD1 4.14Å; F865-Y938 HydrophobicContact CD2-CG 4.5Å; F865-Y938 AromaticContact CE2-CD1 3.6Å; F865-Y938 HydrophobicContact CE2-CD1 3.6Å; F865-Y938 HydrophobicContact CE2-CE1 4.23Å; F865-Y938 HydrophobicContact CE2-CG 4.14Å; F865-Y938 AromaticContact CZ-CD1 3.92Å; F865-Y938 HydrophobicContact CZ-CD1 3.92Å; F865-Y938 HydrophobicContact CZ-CE1 4.4Å; F865-Y938 HydrophobicContact CZ-CG 4.16Å; F900-Y938 AromaticContact CD1-CD2 3.67Å; F900-Y938 HydrophobicContact CD1-CD2 3.67Å; F900-Y938 AromaticContact CD1-CE2 3.65Å; F900-Y938 HydrophobicContact CD1-CE2 3.65Å; F900-Y938 AromaticContact CE1-CD2 3.85Å; F900-Y938 HydrophobicContact CE1-CD2 3.85Å; F900-Y938 AromaticContact CE1-CE2 3.74Å; F900-Y938 HydrophobicContact CE1-CE2 3.74Å; F900-Y938 HydrophobicContact CE1-CG 4.39Å; Y938-L950 PolarHBondContact N-O 3.21Å; Y938-E952 HydrophobicContact CE2-CB 4.08Å
939	R	92.1	Very high	93.6	Very high	74 Å²	74	35.1 Å²	35.1	28%	0.279	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	163.3	-179.8	-146.3	-169.7	178.5	164.1	6.4	112.4	F865 S866 I868 L937 L950	F865-R939 HydrophobicContact CB-CB 4.47Å; F865-R939 PolarHBondContact O-NH1 3.2Å; S866-R939 PolarHBondContact O-NH1 2.8Å; S866-R939 PolarHBondContact O-NH2 2.89Å; I868-R939 PolarHBondContact O-NH1 3.11Å; L937-R939 VanDerWaalsContact CD1-O 3.3Å; L937-R939 WeakPolarHBondContact CD1-O 3.48Å; R939-L950 HydrophobicContact CB-CD2 4.49Å; R939-L950 WeakPolarHBondContact O-CB 3.12Å; R939-L950 PolarHBondContact O-N 3.47Å
940	T	94.9	Very high	94.1	Very high	19 Å²	19	35 Å²	35	12%	0.117	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	162.8	160.9	51.8	0	0	0	0	112.7	K923 Y948 I949 F1183	K923-T940 HydrophobicContact CD-CG2 3.67Å; K923-T940 HydrophobicContact CG-CG2 3.62Å; T940-Y948 CarbonylContact C-O 3.58Å; T940-Y948 VanDerWaalsContact CA-O 3.25Å; T940-Y948 WeakPolarHBondContact CA-O 3.45Å; T940-I949 HydrophobicContact CG2-CG1 4.17Å; T940-F1183 CarbonylContact C-O 3.59Å; T940-F1183 WeakPolarHBondContact CB-O 3.3Å; T940-F1183 HydrophobicContact CG2-CD1 3.68Å; T940-F1183 HydrophobicContact CG2-CE1 3.84Å; T940-F1183 PolarHBondContact OG1-O 2.9Å
941	Y	95.5	Very high	94.5	Very high	25 Å²	25	31.3 Å²	31.3	10%	0.098	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	165.3	163.9	-48.4	-88.5	0	0	0	109.2	I868 L870 F873 Y948 L950	I868-Y941 VanDerWaalsContact O-CE1 3.23Å; I868-Y941 WeakPolarHBondContact O-CE1 3.3Å; I868-Y941 PolarHBondContact O-OH 3.08Å; L870-Y941 HydrophobicContact CB-CD1 4.46Å; L870-Y941 HydrophobicContact CB-CG 4.39Å; L870-Y941 HydrophobicContact CD1-CD2 4.11Å; L870-Y941 HydrophobicContact CD1-CG 4.42Å; F873-Y941 HydrophobicContact CE2-CE2 4.17Å; Y941-Y948 PolarHBondContact N-O 2.98Å; Y941-Y948 PolarHBondContact O-N 3.27Å; Y941-L950 HydrophobicContact CE2-CB 4.41Å; Y941-L950 HydrophobicContact CE2-CD2 4.42Å
942	K	95.4	Very high	94.7	Very high	78 Å²	78	30.8 Å²	30.8	34%	0.339	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	159.2	171.3	57.5	167.5	170	-93.3	0	111.9	Y946 L947 D1180 K1181 F1183	K942-Y946 WeakPolarHBondContact CA-O 3.32Å; K942-L947 HydrophobicContact CB-CD2 3.65Å; K942-D1180 HydrophobicContact CD-CB 4.47Å; K942-D1180 WeakPolarHBondContact CD-OD2 3.3Å; K942-D1180 PolarHBondContact NZ-O 3.13Å; K942-K1181 VanDerWaalsContact NZ-C 3.33Å; K942-K1181 PolarHBondContact NZ-O 2.77Å; K942-F1183 HydrophobicContact CB-CB 4.26Å; K942-F1183 HydrophobicContact CD-CB 4.43Å; K942-F1183 HydrophobicContact CG-CB 4.44Å; K942-F1183 PolarHBondContact NZ-OXT 2.73Å
943	D	94.5	Very high	94.9	Very high	57 Å²	57	29.2 Å²	29.2	31%	0.305	13%	0.13	S	C	.	.			trans	-133.3	-166.5	159.8	65.1	46.8	0	0	0	110.1	K907 R945 Y946 Y948	K907-D943 WeakPolarHBondContact CD-O 3.33Å; K907-D943 PolarHBondContact NZ-O 3.09Å; D943-R945 PolarHBondContact O-N 3.27Å; D943-R945 WeakPolarHBondContact OD1-CA 3.43Å; D943-R945 PolarHBondContact OD1-N 2.79Å; D943-Y946 PolarHBondContact N-O 3.35Å; D943-Y946 PolarHBondContact OD1-N 2.79Å; D943-Y948 WeakPolarHBondContact OD2-CE2 3.47Å; D943-Y948 PolarHBondContact OD2-OH 2.91Å
944	Q	94	Very high	94.9	Very high	110 Å²	110	29.3 Å²	29.3	51%	0.514	13%	0.131	S	C	.	.	S	Bend	trans	-68.4	-15.1	179.7	-68.6	166.9	-40.9	0	0	113.4	E1174 D1175	Q944-E1174 HydrophobicContact CB-CB 4.34Å; Q944-E1174 HydrophobicContact CB-CG 3.91Å; Q944-E1174 CarbonylContact O-C 3.53Å; Q944-E1174 WeakPolarHBondContact O-CA 3.47Å; Q944-D1175 PolarHBondContact O-N 2.87Å
945	R	94.3	Very high	94.9	Very high	71 Å²	71	29.9 Å²	29.9	27%	0.268	13%	0.134	S	C	.	.	S	Bend	trans	-126	-29	-168.7	-63.9	177	-176.2	-113.5	4.2	113.2	K907 D943 P1172 E1174	K907-R945 WeakPolarHBondContact CB-O 3.24Å; K907-R945 PolarHBondContact N-O 2.94Å; D943-R945 PolarHBondContact O-N 3.27Å; D943-R945 WeakPolarHBondContact OD1-CA 3.43Å; D943-R945 PolarHBondContact OD1-N 2.79Å; R945-P1172 HydrophobicContact CB-CG 4.28Å; R945-P1172 WeakPolarHBondContact CD-O 3.49Å; R945-P1172 PolarHBondContact NH1-O 2.77Å; R945-E1174 HydrophobicContact CG-CB 4.47Å; R945-E1174 HydrophobicContact CG-CG 3.64Å; R945-E1174 IonicContact CZ-OE1 2.87Å; R945-E1174 IonicContact NE-OE1 2.79Å; R945-E1174 PolarHBondContact NE-OE1 2.75Å; R945-E1174 IonicContact NH2-OE1 2.72Å; R945-E1174 PolarHBondContact NH2-OE1 2.72Å
946	Y	95.5	Very high	94.8	Very high	19 Å²	19	30 Å²	30	8%	0.075	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152.6	-174.1	-57.4	-81.9	0	0	0	114	K904 L905 K906 K942 D943 L1171 P1172	K904-Y946 HydrophobicContact CD-CD1 4.23Å; K904-Y946 HydrophobicContact CD-CE1 4.36Å; K904-Y946 HydrophobicContact CD-CG 4.48Å; K904-Y946 VanDerWaalsContact CE-CD1 3.45Å; K904-Y946 VanDerWaalsContact CE-CE1 3.47Å; K904-Y946 VanDerWaalsContact CE-CG 3.46Å; K904-Y946 HydrophobicContact CG-CD1 3.85Å; K904-Y946 HydrophobicContact CG-CE1 4.38Å; K904-Y946 HydrophobicContact CG-CG 4.19Å; L905-Y946 CarbonylContact O-C 3.55Å; L905-Y946 WeakPolarHBondContact O-CA 3.12Å; K906-Y946 HydrophobicContact CG-CD1 4.31Å; K906-Y946 HydrophobicContact CG-CE1 4.03Å; K942-Y946 WeakPolarHBondContact CA-O 3.32Å; D943-Y946 PolarHBondContact N-O 3.35Å; D943-Y946 PolarHBondContact OD1-N 2.79Å; Y946-L1171 HydrophobicContact CE2-CD2 4.33Å; Y946-P1172 HydrophobicContact CD1-CG 4.4Å; Y946-P1172 HydrophobicContact CE1-CG 3.77Å; Y946-P1172 HydrophobicContact CE2-CG 4.4Å; Y946-P1172 VanDerWaalsContact CZ-CD 3.48Å; Y946-P1172 WeakPolarHBondContact OH-CD 3.45Å
947	L	96.2	Very high	94.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	149.5	157.8	-56.1	-177.1	0	0	0	109.6	K904 L905 K907 I910 V919 K942 W1179 D1180 F1183	K904-L947 CarbonylContact C-O 3.58Å; K904-L947 WeakPolarHBondContact CA-O 3.49Å; L905-L947 PolarHBondContact N-O 3.21Å; L905-L947 PolarHBondContact O-N 2.69Å; K907-L947 HydrophobicContact CD-CD2 3.82Å; K907-L947 HydrophobicContact CD-CG 4.23Å; K907-L947 HydrophobicContact CG-CD2 3.91Å; K907-L947 HydrophobicContact CG-CG 3.76Å; I910-L947 HydrophobicContact CD1-CD1 4.27Å; V919-L947 HydrophobicContact CG1-CD1 3.91Å; K942-L947 HydrophobicContact CB-CD2 3.65Å; L947-W1179 HydrophobicContact CD1-CH2 3.43Å; L947-W1179 VanDerWaalsContact CD1-CH2 3.43Å; L947-W1179 HydrophobicContact CD1-CZ2 4.07Å; L947-W1179 HydrophobicContact CD1-CZ3 4Å; L947-D1180 HydrophobicContact CD1-CB 4.39Å; L947-D1180 HydrophobicContact CD2-CB 3.65Å; L947-F1183 HydrophobicContact CB-CD1 4.18Å; L947-F1183 HydrophobicContact CB-CE1 4.39Å; L947-F1183 HydrophobicContact CD1-CD1 3.98Å; L947-F1183 HydrophobicContact CD1-CD2 4.21Å; L947-F1183 HydrophobicContact CD1-CE1 3.93Å; L947-F1183 HydrophobicContact CD1-CE2 4.16Å; L947-F1183 HydrophobicContact CD1-CG 4.14Å; L947-F1183 HydrophobicContact CD1-CZ 4.03Å; L947-F1183 HydrophobicContact CD2-CB 4.09Å; L947-F1183 HydrophobicContact CD2-CD1 4.21Å; L947-F1183 HydrophobicContact CD2-CG 4.08Å; L947-F1183 HydrophobicContact CG-CD1 4.35Å
948	Y	96.2	Very high	94.8	Very high	16 Å²	16	30.1 Å²	30.1	6%	0.063	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	130.8	179.3	-54.3	-98.3	0	0	0	109.4	L870 L902 K903 K904 T940 Y941 D943	L870-Y948 HydrophobicContact CD1-CD1 3.96Å; L870-Y948 HydrophobicContact CD1-CE1 4.31Å; L870-Y948 HydrophobicContact CD1-CG 4.1Å; L870-Y948 HydrophobicContact CD2-CD1 4.26Å; L870-Y948 HydrophobicContact CD2-CD2 3.98Å; L870-Y948 HydrophobicContact CD2-CE1 3.95Å; L870-Y948 HydrophobicContact CD2-CE2 3.68Å; L870-Y948 HydrophobicContact CD2-CG 4.27Å; L902-Y948 HydrophobicContact CD2-CD1 3.99Å; L902-Y948 HydrophobicContact CG-CD1 4.2Å; K903-Y948 WeakPolarHBondContact O-CA 3.42Å; K904-Y948 HydrophobicContact CB-CD1 4.12Å; K904-Y948 HydrophobicContact CB-CE1 4.28Å; K904-Y948 HydrophobicContact CD-CD1 4.34Å; K904-Y948 HydrophobicContact CD-CE1 3.66Å; K904-Y948 HydrophobicContact CG-CD1 3.91Å; K904-Y948 HydrophobicContact CG-CE1 3.62Å; T940-Y948 CarbonylContact C-O 3.58Å; T940-Y948 VanDerWaalsContact CA-O 3.25Å; T940-Y948 WeakPolarHBondContact CA-O 3.45Å; Y941-Y948 PolarHBondContact N-O 2.98Å; Y941-Y948 PolarHBondContact O-N 3.27Å; D943-Y948 WeakPolarHBondContact OD2-CE2 3.47Å; D943-Y948 PolarHBondContact OD2-OH 2.91Å
949	I	95.4	Very high	95	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	115.1	-180	-55.9	177.6	0	0	0	107.2	K903 L905 L937 T940 L951 F1183	K903-I949 HydrophobicContact CB-CB 4.22Å; K903-I949 PolarHBondContact N-O 2.76Å; K903-I949 PolarHBondContact O-N 2.85Å; L905-I949 HydrophobicContact CD1-CD1 4.04Å; L937-I949 HydrophobicContact CD1-CG2 3.46Å; L937-I949 VanDerWaalsContact CD1-CG2 3.46Å; L937-I949 HydrophobicContact CD2-CG2 4.21Å; L937-I949 HydrophobicContact CG-CG2 4.47Å; T940-I949 HydrophobicContact CG2-CG1 4.17Å; I949-L951 HydrophobicContact CG2-CD1 4.49Å; I949-L951 HydrophobicContact CG2-CD2 3.88Å; I949-L951 HydrophobicContact CG2-CG 4.06Å; I949-F1183 HydrophobicContact CD1-CE1 4.12Å; I949-F1183 HydrophobicContact CG1-CE1 4.05Å
950	L	95.7	Very high	95	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	103.9	-172.7	-175.8	75.6	0	0	0	110.8	F865 F873 V890 F900 L902 L937 Y938 R939 Y941	F865-L950 HydrophobicContact CD1-CD2 3.99Å; F865-L950 HydrophobicContact CE1-CD2 4.29Å; F873-L950 HydrophobicContact CE1-CD1 3.88Å; F873-L950 HydrophobicContact CE1-CD2 4.28Å; F873-L950 HydrophobicContact CE2-CD1 4.38Å; F873-L950 HydrophobicContact CE2-CD2 4.33Å; F873-L950 HydrophobicContact CZ-CD1 3.76Å; F873-L950 HydrophobicContact CZ-CD2 3.58Å; F873-L950 HydrophobicContact CZ-CG 4.35Å; V890-L950 HydrophobicContact CG2-CD1 4.24Å; F900-L950 HydrophobicContact CB-CD1 3.54Å; F900-L950 HydrophobicContact CB-CG 4.24Å; F900-L950 HydrophobicContact CD1-CD1 4.42Å; F900-L950 HydrophobicContact CD1-CG 4.33Å; F900-L950 HydrophobicContact CG-CD1 3.95Å; F900-L950 HydrophobicContact CG-CG 4.36Å; L902-L950 HydrophobicContact CD1-CB 4.27Å; L902-L950 HydrophobicContact CD1-CD1 3.94Å; L937-L950 VanDerWaalsContact CD1-O 3.31Å; L937-L950 WeakPolarHBondContact CD1-O 3.21Å; Y938-L950 PolarHBondContact N-O 3.21Å; R939-L950 HydrophobicContact CB-CD2 4.49Å; R939-L950 WeakPolarHBondContact O-CB 3.12Å; R939-L950 PolarHBondContact O-N 3.47Å; Y941-L950 HydrophobicContact CE2-CB 4.41Å; Y941-L950 HydrophobicContact CE2-CD2 4.42Å
951	L	95.3	Very high	94.8	Very high	9 Å²	9	25.7 Å²	25.7	5%	0.047	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	161.1	-170.6	-58.9	168	0	0	0	113.1	A901 K903 L926 V935 K936 L937 I949 V953	A901-L951 HydrophobicContact CB-CB 4.22Å; A901-L951 PolarHBondContact N-O 3.27Å; A901-L951 WeakPolarHBondContact O-CB 3.47Å; A901-L951 PolarHBondContact O-N 3.02Å; K903-L951 HydrophobicContact CB-CD1 4.16Å; L926-L951 HydrophobicContact CD1-CD2 4.05Å; V935-L951 HydrophobicContact CG1-CB 3.98Å; V935-L951 HydrophobicContact CG1-CD2 4.28Å; K936-L951 CarbonylContact O-C 3.55Å; K936-L951 WeakPolarHBondContact O-CA 3.37Å; L937-L951 HydrophobicContact CB-CD2 4.01Å; L937-L951 HydrophobicContact CD1-CD2 4.01Å; I949-L951 HydrophobicContact CG2-CD1 4.49Å; I949-L951 HydrophobicContact CG2-CD2 3.88Å; I949-L951 HydrophobicContact CG2-CG 4.06Å; L951-V953 PolarHBondContact O-N 3.32Å
952	E	94.9	Very high	94.7	Very high	28 Å²	28	26.6 Å²	26.6	13%	0.131	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	122	164.8	-177.9	178	-153.4	0	0	110.8	V935 K936 Y938 K1012	V935-E952 HydrophobicContact CG1-CB 4.2Å; K936-E952 HydrophobicContact CB-CB 4.1Å; K936-E952 WeakPolarHBondContact CD-OE2 2.98Å; K936-E952 WeakPolarHBondContact CG-OE2 3.03Å; K936-E952 PolarHBondContact N-OE2 2.88Å; K936-E952 IonicContact NZ-OE1 3.77Å; K936-E952 PolarHBondContact NZ-OE1 3.07Å; K936-E952 IonicContact NZ-OE2 3.22Å; K936-E952 PolarHBondContact O-N 3Å; Y938-E952 HydrophobicContact CE2-CB 4.08Å; E952-K1012 IonicContact OE1-NZ 2.73Å; E952-K1012 PolarHBondContact OE1-NZ 3.48Å; E952-K1012 IonicContact OE2-NZ 2.63Å
953	V	95.8	Very high	94.6	Very high	26 Å²	26	23.1 Å²	23.1	16%	0.158	11%	0.113	C	C	.	.			trans	-76.4	128.5	176.8	64.8	0	0	0	0	110.7	L889 C899 A901 L951 L955	L889-V953 HydrophobicContact CD1-CB 4.36Å; L889-V953 HydrophobicContact CD1-CG2 3.72Å; C899-V953 HydrophobicContact CB-CG1 4.14Å; C899-V953 WeakPolarHBondContact O-CG1 3.41Å; A901-V953 HydrophobicContact CB-CB 4.38Å; L951-V953 PolarHBondContact O-N 3.32Å; V953-L955 HydrophobicContact CG1-CG 4.28Å; V953-L955 HydrophobicContact CG2-CD2 3.58Å; V953-L955 HydrophobicContact CG2-CG 3.86Å
954	C	96.1	Very high	94.4	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.034	12%	0.116	C	C	.	.			trans	-108.4	83.7	176.7	-66.1	0	0	0	0	109.3	G956 G957 L1004 L1005 F1162	C954-G956 PolarHBondContact O-N 2.76Å; C954-G956 VanDerWaalsContact O-N 3.1Å; C954-G957 PolarHBondContact O-N 3.42Å; C954-L1004 HydrophobicContact CB-CB 3.54Å; C954-L1004 HydrophobicContact CB-CD1 3.87Å; C954-L1004 HydrophobicContact CB-CG 4.34Å; C954-L1005 CarbonylContact C-O 3.54Å; C954-L1005 WeakPolarHBondContact CB-O 3.29Å; C954-F1162 WeakPolarHBondContact O-CZ 3.32Å
955	L	95.2	Very high	94	Very high	13 Å²	13	26 Å²	26	7%	0.068	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-3.9	-171.1	-69.2	174.4	0	0	0	115.3	L889 V953 G957 I1153 N1161 F1162	L889-L955 HydrophobicContact CD2-CD2 4.35Å; V953-L955 HydrophobicContact CG1-CG 4.28Å; V953-L955 HydrophobicContact CG2-CD2 3.58Å; V953-L955 HydrophobicContact CG2-CG 3.86Å; L955-G957 VanDerWaalsContact C-N 3.3Å; L955-I1153 HydrophobicContact CB-CD1 3.67Å; L955-I1153 HydrophobicContact CB-CG1 4.3Å; L955-I1153 HydrophobicContact CD1-CG2 4.31Å; L955-N1161 PolarHBondContact O-ND2 2.89Å; L955-F1162 HydrophobicContact CD2-CE2 4.22Å
956	G	95	Very high	93.5	Very high	5 Å²	5	24.2 Å²	24.2	5%	0.052	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-2.5	174.4	0	0	0	0	0	114.6	C954 L1005	C954-G956 PolarHBondContact O-N 2.76Å; C954-G956 VanDerWaalsContact O-N 3.1Å; G956-L1005 WeakPolarHBondContact CA-O 3.44Å; G956-L1005 PolarHBondContact N-O 2.89Å
957	G	93.4	Very high	93	Very high	1 Å²	1	29 Å²	29	1%	0.01	15%	0.154	C	C	.	.			trans	78.9	-165.3	177.3	0	0	0	0	0	114	C954 L955 L1004 L1005	C954-G957 PolarHBondContact O-N 3.42Å; L955-G957 VanDerWaalsContact C-N 3.3Å; G957-L1004 CarbonylContact O-C 3.55Å; G957-L1004 WeakPolarHBondContact O-CA 3.27Å; G957-L1005 PolarHBondContact O-N 3.09Å
958	E	93.9	Very high	92.8	Very high	33 Å²	33	30.6 Å²	30.6	15%	0.154	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-88.7	136.7	-177.6	-59.7	-175.1	163.5	0	0	112.1	K573 W960 T961 L962 L1004	K573-E958 WeakPolarHBondContact CE-OE2 3.37Å; K573-E958 IonicContact NZ-OE1 3.89Å; K573-E958 PolarHBondContact NZ-OE1 2.9Å; K573-E958 IonicContact NZ-OE2 3.98Å; K573-E958 PolarHBondContact NZ-OE2 2.89Å; E958-W960 HydrophobicContact CB-CB 4.46Å; E958-W960 PolarHBondContact O-N 3.19Å; E958-T961 PolarHBondContact O-N 3.48Å; E958-L962 PolarHBondContact O-N 3.34Å; E958-L1004 HydrophobicContact CB-CD2 4.47Å; E958-L1004 HydrophobicContact CG-CD2 3.77Å
959	L	95.5	Very high	92.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-29.4	174	-170.9	64.1	0	0	0	111.6	L962 L963 F969 Y977 L1003 L1005 L1064	L959-L962 HydrophobicContact CD1-CD1 4.45Å; L959-L962 PolarHBondContact O-N 3.46Å; L959-L963 WeakPolarHBondContact O-CB 3.5Å; L959-L963 PolarHBondContact O-N 3.36Å; L959-F969 HydrophobicContact CD1-CE2 3.76Å; L959-F969 HydrophobicContact CD1-CZ 3.92Å; L959-F969 HydrophobicContact CG-CE2 4.24Å; L959-Y977 HydrophobicContact CD1-CD1 4.19Å; L959-Y977 HydrophobicContact CD1-CD2 3.69Å; L959-Y977 HydrophobicContact CD1-CE1 4.15Å; L959-Y977 HydrophobicContact CD1-CE2 3.61Å; L959-Y977 HydrophobicContact CD1-CG 3.98Å; L959-Y977 HydrophobicContact CD2-CD2 4.34Å; L959-Y977 HydrophobicContact CD2-CG 4.06Å; L959-L1003 HydrophobicContact CB-CB 3.91Å; L959-L1003 WeakPolarHBondContact CB-O 3.17Å; L959-L1003 HydrophobicContact CD2-CB 4.02Å; L959-L1003 HydrophobicContact CD2-CD1 3.84Å; L959-L1003 PolarHBondContact N-O 2.61Å; L959-L1005 HydrophobicContact CD1-CD2 4.35Å; L959-L1064 HydrophobicContact CD2-CD2 4.06Å; L959-L1064 HydrophobicContact CG-CD2 4.49Å
960	W	92.9	Very high	92.9	Very high	14 Å²	14	34.6 Å²	34.6	5%	0.053	19%	0.189	C	C	.	.	H	α-helix	trans	-57.2	-44.1	169.8	-177.3	86	0	0	0	113.1	R571 K573 E958 L962 L963 R964 P1000 E1001	R571-W960 WeakPolarHBondContact O-CZ2 3.41Å; K573-W960 HydrophobicContact CB-CH2 3.94Å; K573-W960 HydrophobicContact CB-CZ2 3.86Å; K573-W960 HydrophobicContact CB-CZ3 4.37Å; K573-W960 HydrophobicContact CG-CD2 4.47Å; K573-W960 VanDerWaalsContact N-CZ2 3.33Å; E958-W960 HydrophobicContact CB-CB 4.46Å; E958-W960 PolarHBondContact O-N 3.19Å; W960-L962 VanDerWaalsContact C-N 3.34Å; W960-L962 PolarHBondContact O-N 2.94Å; W960-L963 CarbonylContact O-C 3.53Å; W960-L963 PolarHBondContact O-N 2.97Å; W960-R964 VanDerWaalsContact O-CB 3.32Å; W960-R964 WeakPolarHBondContact O-CB 3.49Å; W960-R964 PolarHBondContact O-N 2.89Å; W960-P1000 HydrophobicContact CB-CB 3.94Å; W960-P1000 PolarHBondContact N-O 3Å; W960-P1000 VanDerWaalsContact N-O 3.14Å; W960-E1001 HydrophobicContact CB-CG 4.1Å; W960-E1001 HydrophobicContact CD2-CG 4.43Å; W960-E1001 HydrophobicContact CG-CG 3.8Å; W960-E1001 PolarHBondContact NE1-OE1 2.8Å
961	T	90.4	Very high	92.9	Very high	29 Å²	29	36 Å²	36	18%	0.178	20%	0.196	C	C	.	.	H	α-helix	trans	-66	-39	179.4	-59.2	0	0	0	0	111	E958 R964 N965	E958-T961 PolarHBondContact O-N 3.48Å; T961-R964 PolarHBondContact O-N 3.48Å; T961-N965 WeakPolarHBondContact O-CB 3.43Å; T961-N965 PolarHBondContact O-N 2.85Å; T961-N965 PolarHBondContact O-ND2 3.14Å
962	L	92.3	Very high	92.9	Very high	45 Å²	45	39.4 Å²	39.4	24%	0.236	22%	0.22	C	C	.	.	H	α-helix	trans	-65.1	-39.1	172.4	-71.8	158.5	0	0	0	112.4	E958 L959 W960 R964 S966 F969 L1005 I1149	E958-L962 PolarHBondContact O-N 3.34Å; L959-L962 HydrophobicContact CD1-CD1 4.45Å; L959-L962 PolarHBondContact O-N 3.46Å; W960-L962 VanDerWaalsContact C-N 3.34Å; W960-L962 PolarHBondContact O-N 2.94Å; L962-R964 VanDerWaalsContact C-N 3.31Å; L962-S966 WeakPolarHBondContact O-CB 3.43Å; L962-S966 PolarHBondContact O-N 3Å; L962-S966 PolarHBondContact O-OG 2.83Å; L962-F969 HydrophobicContact CB-CE1 4.35Å; L962-F969 HydrophobicContact CB-CZ 3.95Å; L962-L1005 HydrophobicContact CD1-CD1 3.38Å; L962-L1005 HydrophobicContact CD1-CG 4.01Å; L962-I1149 HydrophobicContact CD2-CD1 4.44Å; L962-I1149 HydrophobicContact CD2-CG2 4.36Å
963	L	93.5	Very high	93.1	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-75.2	-17.3	175.1	-171.3	61.8	0	0	0	113.5	R571 L959 W960 S966 F969 P1000 E1063 L1064	R571-L963 PolarHBondContact NH1-O 3.49Å; L959-L963 WeakPolarHBondContact O-CB 3.5Å; L959-L963 PolarHBondContact O-N 3.36Å; W960-L963 CarbonylContact O-C 3.53Å; W960-L963 PolarHBondContact O-N 2.97Å; L963-S966 WeakPolarHBondContact CA-OG 3.25Å; L963-F969 HydrophobicContact CB-CE2 4.24Å; L963-F969 HydrophobicContact CB-CZ 4.05Å; L963-F969 HydrophobicContact CD1-CD1 4.45Å; L963-F969 HydrophobicContact CD1-CD2 4.04Å; L963-F969 HydrophobicContact CD1-CE1 4.48Å; L963-F969 HydrophobicContact CD1-CE2 4.07Å; L963-F969 HydrophobicContact CD1-CG 4.22Å; L963-F969 HydrophobicContact CD1-CZ 4.29Å; L963-P1000 HydrophobicContact CD2-CB 4.28Å; L963-P1000 HydrophobicContact CD2-CG 3.86Å; L963-E1063 HydrophobicContact CD2-CG 3.76Å; L963-L1064 HydrophobicContact CD2-CD2 4.14Å
964	R	90	Very high	93.2	Very high	99 Å²	99	37.4 Å²	37.4	37%	0.374	21%	0.21	S	C	.	.	H	α-helix	trans	-84.9	-37	172.6	178	171.1	179.2	-143.6	2.6	112.1	R571 W960 T961 L962 S966	R571-R964 HydrophobicContact CB-CG 4.2Å; R571-R964 PolarHBondContact O-NE 2.97Å; W960-R964 VanDerWaalsContact O-CB 3.32Å; W960-R964 WeakPolarHBondContact O-CB 3.49Å; W960-R964 PolarHBondContact O-N 2.89Å; T961-R964 PolarHBondContact O-N 3.48Å; L962-R964 VanDerWaalsContact C-N 3.31Å; R964-S966 CarbonylContact C-O 3.55Å
965	N	87	Confident	93.3	Very high	129 Å²	129	39.9 Å²	39.9	69%	0.69	22%	0.219	S	C	*	.	H	α-helix	trans	-81.3	-27.7	179.9	-66.2	-11.3	0	0	0	112.3	T961	T961-N965 WeakPolarHBondContact O-CB 3.43Å; T961-N965 PolarHBondContact O-N 2.85Å; T961-N965 PolarHBondContact O-ND2 3.14Å
966	S	82.6	Confident	93.4	Very high	32 Å²	32	39.6 Å²	39.6	22%	0.224	22%	0.217	C	C	.	.	S	Bend	trans	-85	156.5	160.1	61	0	0	0	0	110.8	R571 L962 L963 R964 F969	R571-S966 PolarHBondContact NH1-O 3.29Å; R571-S966 VanDerWaalsContact NH1-O 3.09Å; L962-S966 WeakPolarHBondContact O-CB 3.43Å; L962-S966 PolarHBondContact O-N 3Å; L962-S966 PolarHBondContact O-OG 2.83Å; L963-S966 WeakPolarHBondContact CA-OG 3.25Å; R964-S966 CarbonylContact C-O 3.55Å; S966-F969 WeakPolarHBondContact OG-CD1 3.38Å; S966-F969 VanDerWaalsContact OG-CE1 3.27Å; S966-F969 WeakPolarHBondContact OG-CE1 3.39Å
967	T	85.1	Confident	93.6	Very high	121 Å²	121	39.3 Å²	39.3	74%	0.742	22%	0.215	S	C	*	.	S	Bend	trans	-73.6	-43.9	172.2	46.7	0	0	0	0	111	R571	R571-T967 PolarHBondContact NH1-O 3.05Å; R571-T967 PolarHBondContact NH2-O 2.25Å
968	A	93.4	Very high	93.8	Very high	32 Å²	32	39.3 Å²	39.3	26%	0.264	21%	0.214	S	C	.	.	S	Bend	trans	-157.6	167.4	168.6	0	0	0	0	0	108.6
969	F	96.4	Very high	94	Very high	18 Å²	18	37.7 Å²	37.7	8%	0.079	21%	0.207	C	C	.	.			trans	-89.6	154.5	169.7	-63.2	-33.1	0	0	0	112.2	L959 L962 L963 S966 T973 A974 Y977 L1064 I1149	L959-F969 HydrophobicContact CD1-CE2 3.76Å; L959-F969 HydrophobicContact CD1-CZ 3.92Å; L959-F969 HydrophobicContact CG-CE2 4.24Å; L962-F969 HydrophobicContact CB-CE1 4.35Å; L962-F969 HydrophobicContact CB-CZ 3.95Å; L963-F969 HydrophobicContact CB-CE2 4.24Å; L963-F969 HydrophobicContact CB-CZ 4.05Å; L963-F969 HydrophobicContact CD1-CD1 4.45Å; L963-F969 HydrophobicContact CD1-CD2 4.04Å; L963-F969 HydrophobicContact CD1-CE1 4.48Å; L963-F969 HydrophobicContact CD1-CE2 4.07Å; L963-F969 HydrophobicContact CD1-CG 4.22Å; L963-F969 HydrophobicContact CD1-CZ 4.29Å; S966-F969 WeakPolarHBondContact OG-CD1 3.38Å; S966-F969 VanDerWaalsContact OG-CE1 3.27Å; S966-F969 WeakPolarHBondContact OG-CE1 3.39Å; F969-T973 HydrophobicContact CB-CG2 3.86Å; F969-T973 HydrophobicContact CD1-CG2 3.99Å; F969-T973 HydrophobicContact CD2-CG2 4.07Å; F969-T973 HydrophobicContact CG-CG2 3.72Å; F969-A974 HydrophobicContact CB-CB 4.46Å; F969-Y977 HydrophobicContact CD2-CD2 4.21Å; F969-Y977 HydrophobicContact CD2-CE2 4.46Å; F969-Y977 AromaticContact CE2-CD2 3.98Å; F969-Y977 HydrophobicContact CE2-CD2 3.98Å; F969-Y977 HydrophobicContact CE2-CE2 4.07Å; F969-Y977 HydrophobicContact CZ-CE2 4.38Å; F969-L1064 HydrophobicContact CD2-CB 4.22Å; F969-L1064 HydrophobicContact CD2-CD2 3.54Å; F969-L1064 HydrophobicContact CD2-CG 4.45Å; F969-L1064 HydrophobicContact CE2-CD2 3.53Å; F969-L1064 PolarHBondContact N-O 2.89Å; F969-I1149 HydrophobicContact CE1-CD1 4.2Å
970	D	95.6	Very high	94.1	Very high	83 Å²	83	37.8 Å²	37.8	44%	0.444	21%	0.207	S	C	.	.			trans	-71.9	167.5	168.4	66.2	73.6	0	0	0	112.4	S972 T973 A974	D970-S972 VanDerWaalsContact C-N 3.31Å; D970-S972 PolarHBondContact O-N 2.93Å; D970-S972 WeakPolarHBondContact OD1-CA 3.18Å; D970-S972 VanDerWaalsContact OD1-CB 3.31Å; D970-S972 WeakPolarHBondContact OD1-CB 3.45Å; D970-S972 PolarHBondContact OD1-N 2.86Å; D970-S972 PolarHBondContact OD1-OG 2.56Å; D970-T973 VanDerWaalsContact CG-OG1 3.31Å; D970-T973 PolarHBondContact O-N 3.44Å; D970-T973 PolarHBondContact OD1-N 3.03Å; D970-T973 PolarHBondContact OD1-OG1 3.15Å; D970-T973 PolarHBondContact OD2-OG1 3.33Å; D970-A974 WeakPolarHBondContact O-CB 3.41Å; D970-A974 PolarHBondContact O-N 3.11Å
971	D	95.9	Very high	94.4	Very high	29 Å²	29	37.1 Å²	37.1	16%	0.155	21%	0.205	C	C	.	.	H	α-helix	trans	-62	-35.2	-175.3	-167.9	98.7	0	0	0	113	R975 T1097 W1131	D971-R975 WeakPolarHBondContact O-CB 3.25Å; D971-R975 PolarHBondContact O-N 2.91Å; D971-R975 IonicContact OD2-CZ 3.42Å; D971-R975 IonicContact OD2-NE 2.69Å; D971-R975 IonicContact OD2-NH2 2.94Å; D971-R975 PolarHBondContact OD2-NH2 3.46Å; D971-T1097 HydrophobicContact CB-CG2 3.99Å; D971-T1097 WeakPolarHBondContact OD1-CB 3.3Å; D971-T1097 WeakPolarHBondContact OD1-CG2 3.22Å; D971-T1097 PolarHBondContact OD1-OG1 3.32Å; D971-W1131 PolarHBondContact OD1-NE1 2.98Å; D971-W1131 PolarHBondContact OD2-NE1 2.84Å
972	S	96.7	Very high	94.7	Very high	80 Å²	80	35.8 Å²	35.8	56%	0.559	20%	0.196	S	C	*	.	H	α-helix	trans	-68.5	-47.1	175.3	16.1	0	0	0	0	112.5	D970 R975 F976	D970-S972 VanDerWaalsContact C-N 3.31Å; D970-S972 PolarHBondContact O-N 2.93Å; D970-S972 WeakPolarHBondContact OD1-CA 3.18Å; D970-S972 VanDerWaalsContact OD1-CB 3.31Å; D970-S972 WeakPolarHBondContact OD1-CB 3.45Å; D970-S972 PolarHBondContact OD1-N 2.86Å; D970-S972 PolarHBondContact OD1-OG 2.56Å; S972-R975 WeakPolarHBondContact O-CB 3.41Å; S972-R975 PolarHBondContact O-N 3.04Å; S972-F976 PolarHBondContact O-N 2.89Å
973	T	97.4	Very high	94.8	Very high	12 Å²	12	33.8 Å²	33.8	7%	0.074	19%	0.186	C	C	.	.	H	α-helix	trans	-65.4	-46.1	179.8	-62.4	0	0	0	0	111	F969 D970 R975 F976 Y977 P1148 I1149	F969-T973 HydrophobicContact CB-CG2 3.86Å; F969-T973 HydrophobicContact CD1-CG2 3.99Å; F969-T973 HydrophobicContact CD2-CG2 4.07Å; F969-T973 HydrophobicContact CG-CG2 3.72Å; D970-T973 VanDerWaalsContact CG-OG1 3.31Å; D970-T973 PolarHBondContact O-N 3.44Å; D970-T973 PolarHBondContact OD1-N 3.03Å; D970-T973 PolarHBondContact OD1-OG1 3.15Å; D970-T973 PolarHBondContact OD2-OG1 3.33Å; T973-R975 VanDerWaalsContact C-N 3.32Å; T973-R975 PolarHBondContact O-N 2.73Å; T973-F976 PolarHBondContact O-N 2.86Å; T973-Y977 HydrophobicContact CG2-CD2 3.97Å; T973-Y977 HydrophobicContact CG2-CE2 3.56Å; T973-Y977 VanDerWaalsContact O-CD2 3.22Å; T973-Y977 WeakPolarHBondContact O-CD2 3.49Å; T973-Y977 PolarHBondContact O-N 3.27Å; T973-P1148 HydrophobicContact CG2-CB 4.01Å; T973-P1148 HydrophobicContact CG2-CG 4.08Å; T973-P1148 WeakPolarHBondContact OG1-CB 3.19Å; T973-I1149 HydrophobicContact CG2-CD1 4.34Å
974	A	97.9	Very high	94.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.3	-37.9	173.9	0	0	0	0	0	112.2	F969 D970 S978 L1064 L1065 W1131	F969-A974 HydrophobicContact CB-CB 4.46Å; D970-A974 WeakPolarHBondContact O-CB 3.41Å; D970-A974 PolarHBondContact O-N 3.11Å; A974-S978 WeakPolarHBondContact O-CB 3.43Å; A974-S978 PolarHBondContact O-N 3.43Å; A974-S978 PolarHBondContact O-OG 3.38Å; A974-L1064 HydrophobicContact CB-CB 3.89Å; A974-L1065 HydrophobicContact CB-CD2 3.5Å; A974-L1065 HydrophobicContact CB-CG 3.86Å; A974-W1131 HydrophobicContact CB-CH2 4.48Å; A974-W1131 HydrophobicContact CB-CZ2 4.4Å
975	R	98.1	Very high	95.1	Very high	58 Å²	58	28.9 Å²	28.9	22%	0.219	17%	0.167	C	C	.	.	H	α-helix	trans	-65.4	-44	176.8	-172.1	-167.6	-51.2	-165.7	0.9	112.4	D971 S972 T973 S978 A979 W1131 F1132 E1133 F1135	D971-R975 WeakPolarHBondContact O-CB 3.25Å; D971-R975 PolarHBondContact O-N 2.91Å; D971-R975 IonicContact OD2-CZ 3.42Å; D971-R975 IonicContact OD2-NE 2.69Å; D971-R975 IonicContact OD2-NH2 2.94Å; D971-R975 PolarHBondContact OD2-NH2 3.46Å; S972-R975 WeakPolarHBondContact O-CB 3.41Å; S972-R975 PolarHBondContact O-N 3.04Å; T973-R975 VanDerWaalsContact C-N 3.32Å; T973-R975 PolarHBondContact O-N 2.73Å; R975-S978 PolarHBondContact O-N 2.82Å; R975-A979 WeakPolarHBondContact O-CB 3.4Å; R975-A979 PolarHBondContact O-N 2.91Å; R975-W1131 HydrophobicContact CB-CE3 4.5Å; R975-W1131 HydrophobicContact CB-CH2 3.76Å; R975-W1131 HydrophobicContact CB-CZ2 3.75Å; R975-W1131 HydrophobicContact CB-CZ3 4.12Å; R975-W1131 WeakPolarHBondContact CD-O 3.24Å; R975-W1131 HydrophobicContact CG-CD2 4.35Å; R975-W1131 HydrophobicContact CG-CE3 4.15Å; R975-W1131 HydrophobicContact CG-CH2 4.28Å; R975-W1131 HydrophobicContact CG-CZ2 4.37Å; R975-W1131 HydrophobicContact CG-CZ3 4.13Å; R975-W1131 PolarHBondContact NE-O 2.86Å; R975-W1131 PolarHBondContact NH1-O 3.05Å; R975-W1131 VanDerWaalsContact NH1-O 3.14Å; R975-F1132 HydrophobicContact CG-CD1 3.54Å; R975-F1132 HydrophobicContact CG-CE1 3.66Å; R975-E1133 PolarHBondContact NH1-O 2.84Å; R975-F1135 HydrophobicContact CG-CD2 4.05Å
976	F	98.5	Very high	95.1	Very high	6 Å²	6	23.5 Å²	23.5	3%	0.026	14%	0.139	C	C	.	.	H	α-helix	trans	-59	-51.9	175.5	175.7	-95.8	0	0	0	112.1	S972 T973 S978 A979 C980 F1010 F1135 L1140 I1145 V1147 P1148	S972-F976 PolarHBondContact O-N 2.89Å; T973-F976 PolarHBondContact O-N 2.86Å; F976-S978 PolarHBondContact O-N 3.44Å; F976-A979 WeakPolarHBondContact O-CB 3.34Å; F976-A979 PolarHBondContact O-N 2.68Å; F976-A979 VanDerWaalsContact O-N 3.14Å; F976-C980 PolarHBondContact O-N 3.1Å; F976-C980 PolarHBondContact O-SG 2.82Å; F976-F1010 HydrophobicContact CE2-CD1 4.27Å; F976-F1010 HydrophobicContact CE2-CE1 4.09Å; F976-F1010 AromaticContact CZ-CD1 3.7Å; F976-F1010 HydrophobicContact CZ-CD1 3.7Å; F976-F1010 AromaticContact CZ-CE1 3.91Å; F976-F1010 HydrophobicContact CZ-CE1 3.91Å; F976-F1010 HydrophobicContact CZ-CG 4.3Å; F976-F1135 HydrophobicContact CD2-CZ 4.48Å; F976-L1140 HydrophobicContact CE2-CD1 3.91Å; F976-L1140 HydrophobicContact CZ-CD1 4.43Å; F976-I1145 HydrophobicContact CE2-CG2 3.85Å; F976-V1147 HydrophobicContact CE1-CG1 4.48Å; F976-V1147 HydrophobicContact CZ-CB 4.35Å; F976-V1147 HydrophobicContact CZ-CG1 3.87Å; F976-P1148 HydrophobicContact CB-CG 4.07Å; F976-P1148 HydrophobicContact CD1-CG 3.58Å; F976-P1148 HydrophobicContact CE1-CG 4.27Å; F976-P1148 HydrophobicContact CG-CG 3.94Å
977	Y	98.5	Very high	95.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-67.1	-35.9	179.7	-63.2	-50.3	0	0	0	112.7	L959 F969 T973 A979 C980 V981 L1005 C1011 P1148 I1149	L959-Y977 HydrophobicContact CD1-CD1 4.19Å; L959-Y977 HydrophobicContact CD1-CD2 3.69Å; L959-Y977 HydrophobicContact CD1-CE1 4.15Å; L959-Y977 HydrophobicContact CD1-CE2 3.61Å; L959-Y977 HydrophobicContact CD1-CG 3.98Å; L959-Y977 HydrophobicContact CD2-CD2 4.34Å; L959-Y977 HydrophobicContact CD2-CG 4.06Å; F969-Y977 HydrophobicContact CD2-CD2 4.21Å; F969-Y977 HydrophobicContact CD2-CE2 4.46Å; F969-Y977 AromaticContact CE2-CD2 3.98Å; F969-Y977 HydrophobicContact CE2-CD2 3.98Å; F969-Y977 HydrophobicContact CE2-CE2 4.07Å; F969-Y977 HydrophobicContact CZ-CE2 4.38Å; T973-Y977 HydrophobicContact CG2-CD2 3.97Å; T973-Y977 HydrophobicContact CG2-CE2 3.56Å; T973-Y977 VanDerWaalsContact O-CD2 3.22Å; T973-Y977 WeakPolarHBondContact O-CD2 3.49Å; T973-Y977 PolarHBondContact O-N 3.27Å; Y977-A979 VanDerWaalsContact C-N 3.29Å; Y977-A979 PolarHBondContact O-N 3.49Å; Y977-C980 PolarHBondContact O-N 3.14Å; Y977-V981 WeakPolarHBondContact O-CG2 3.35Å; Y977-V981 PolarHBondContact O-N 2.82Å; Y977-L1005 HydrophobicContact CD1-CD2 4.18Å; Y977-L1005 HydrophobicContact CE1-CD1 4.25Å; Y977-L1005 HydrophobicContact CE1-CD2 3.57Å; Y977-C1011 HydrophobicContact CD1-CB 3.72Å; Y977-C1011 HydrophobicContact CE1-CB 4.3Å; Y977-P1148 HydrophobicContact CE1-CG 4.44Å; Y977-P1148 HydrophobicContact CE2-CG 4.13Å; Y977-I1149 HydrophobicContact CE2-CD1 4.44Å; Y977-I1149 WeakPolarHBondContact OH-CB 3.5Å
978	S	98.5	Very high	95.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.4	-34	172.2	-58.8	0	0	0	0	112.5	A974 R975 F976 V981 V982	A974-S978 WeakPolarHBondContact O-CB 3.43Å; A974-S978 PolarHBondContact O-N 3.43Å; A974-S978 PolarHBondContact O-OG 3.38Å; R975-S978 PolarHBondContact O-N 2.82Å; F976-S978 PolarHBondContact O-N 3.44Å; S978-V981 PolarHBondContact O-N 3.46Å; S978-V982 WeakPolarHBondContact O-CB 3.19Å; S978-V982 VanDerWaalsContact O-CG2 3.29Å; S978-V982 WeakPolarHBondContact O-CG2 3.39Å; S978-V982 PolarHBondContact O-N 2.93Å
979	A	98.3	Very high	95.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-69.2	-42.1	177.6	0	0	0	0	0	112.5	R975 F976 Y977 V981 V982 E983 F1132 F1135 W1137 L1140	R975-A979 WeakPolarHBondContact O-CB 3.4Å; R975-A979 PolarHBondContact O-N 2.91Å; F976-A979 WeakPolarHBondContact O-CB 3.34Å; F976-A979 PolarHBondContact O-N 2.68Å; F976-A979 VanDerWaalsContact O-N 3.14Å; Y977-A979 VanDerWaalsContact C-N 3.29Å; Y977-A979 PolarHBondContact O-N 3.49Å; A979-V981 VanDerWaalsContact C-N 3.29Å; A979-V981 PolarHBondContact O-N 3.29Å; A979-V982 PolarHBondContact O-N 3.07Å; A979-E983 PolarHBondContact O-N 3.03Å; A979-F1132 HydrophobicContact CB-CE1 3.98Å; A979-F1135 HydrophobicContact CB-CD1 4.29Å; A979-F1135 HydrophobicContact CB-CE1 3.44Å; A979-F1135 VanDerWaalsContact CB-CE1 3.44Å; A979-F1135 HydrophobicContact CB-CE2 4.19Å; A979-F1135 HydrophobicContact CB-CZ 3.38Å; A979-W1137 HydrophobicContact CB-CE3 4.39Å; A979-W1137 HydrophobicContact CB-CH2 3.72Å; A979-W1137 HydrophobicContact CB-CZ3 3.67Å; A979-L1140 HydrophobicContact CB-CD2 3.57Å
980	C	98.2	Very high	94.1	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.007	11%	0.114	C	C	.	.	H	α-helix	trans	-54.2	-46.5	171.9	-62.3	0	0	0	0	111.3	F933 F976 Y977 E983 A984 C1011	F933-C980 HydrophobicContact CD1-CB 4.14Å; F933-C980 HydrophobicContact CG-CB 4.23Å; F976-C980 PolarHBondContact O-N 3.1Å; F976-C980 PolarHBondContact O-SG 2.82Å; Y977-C980 PolarHBondContact O-N 3.14Å; C980-E983 PolarHBondContact O-N 3.49Å; C980-A984 PolarHBondContact O-N 2.91Å; C980-A984 VanDerWaalsContact O-N 3.07Å; C980-C1011 HydrophobicContact CB-CB 3.85Å
981	V	98.3	Very high	93.3	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	10%	0.1	C	C	.	.	H	α-helix	trans	-66.3	-41.3	177	174.7	0	0	0	0	111.8	Y977 S978 A979 E983 A984 L985 L998 L1003 M1013 L1057 L1060	Y977-V981 WeakPolarHBondContact O-CG2 3.35Å; Y977-V981 PolarHBondContact O-N 2.82Å; S978-V981 PolarHBondContact O-N 3.46Å; A979-V981 VanDerWaalsContact C-N 3.29Å; A979-V981 PolarHBondContact O-N 3.29Å; V981-E983 VanDerWaalsContact C-N 3.3Å; V981-E983 PolarHBondContact O-N 3.17Å; V981-A984 PolarHBondContact O-N 2.79Å; V981-L985 HydrophobicContact CG1-CD1 4.02Å; V981-L985 HydrophobicContact CG1-CG 4.16Å; V981-L985 WeakPolarHBondContact O-CB 3.48Å; V981-L985 WeakPolarHBondContact O-CG 3.31Å; V981-L985 PolarHBondContact O-N 2.97Å; V981-L998 HydrophobicContact CG1-CD1 3.71Å; V981-L998 HydrophobicContact CG1-CD2 3.63Å; V981-L998 HydrophobicContact CG1-CG 4.33Å; V981-L998 HydrophobicContact CG2-CD1 4.26Å; V981-L1003 HydrophobicContact CG2-CD1 3.89Å; V981-L1003 HydrophobicContact CG2-CD2 3.67Å; V981-L1003 HydrophobicContact CG2-CG 4.48Å; V981-M1013 HydrophobicContact CG1-SD 4.36Å; V981-L1057 HydrophobicContact CB-CD1 4.42Å; V981-L1057 HydrophobicContact CG1-CD1 3.98Å; V981-L1060 HydrophobicContact CG1-CD2 4.37Å; V981-L1060 HydrophobicContact CG2-CD2 4.06Å
982	V	96.9	Very high	92.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59	-39.8	175.4	163	0	0	0	0	111.5	S978 A979 N986 L1057 I1123 V1126 K1127 F1132 W1137	S978-V982 WeakPolarHBondContact O-CB 3.19Å; S978-V982 VanDerWaalsContact O-CG2 3.29Å; S978-V982 WeakPolarHBondContact O-CG2 3.39Å; S978-V982 PolarHBondContact O-N 2.93Å; A979-V982 PolarHBondContact O-N 3.07Å; V982-N986 WeakPolarHBondContact O-CB 3.39Å; V982-N986 PolarHBondContact O-N 3.39Å; V982-L1057 HydrophobicContact CG2-CD1 4.42Å; V982-L1057 HydrophobicContact CG2-CD2 3.58Å; V982-I1123 HydrophobicContact CG1-CD1 4.01Å; V982-I1123 HydrophobicContact CG1-CG1 4.13Å; V982-I1123 VanDerWaalsContact O-CD1 3.22Å; V982-I1123 WeakPolarHBondContact O-CD1 3.3Å; V982-V1126 HydrophobicContact CG2-CG1 3.88Å; V982-K1127 HydrophobicContact CG1-CG 3.85Å; V982-F1132 HydrophobicContact CG2-CZ 4.48Å; V982-W1137 HydrophobicContact CB-CH2 3.92Å; V982-W1137 HydrophobicContact CB-CZ3 4.11Å; V982-W1137 HydrophobicContact CG1-CH2 3.6Å; V982-W1137 HydrophobicContact CG1-CZ3 3.78Å
983	E	94.4	Very high	91.8	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.019	7%	0.069	C	C	.	.	H	α-helix	trans	-70.5	-40.2	175.1	-67.5	-64	-177.6	0	0	112.9	H931 F933 A979 C980 V981 N986 Y987 K1127 W1137 L1140	H931-E983 VanDerWaalsContact CE1-C 3.41Å; H931-E983 PolarHBondContact CE1-O 3.18Å; H931-E983 VanDerWaalsContact CE1-O 3.27Å; F933-E983 HydrophobicContact CD2-CB 3.66Å; F933-E983 HydrophobicContact CD2-CG 4.35Å; F933-E983 HydrophobicContact CE2-CB 4.02Å; F933-E983 HydrophobicContact CE2-CG 4.22Å; A979-E983 PolarHBondContact O-N 3.03Å; C980-E983 PolarHBondContact O-N 3.49Å; V981-E983 VanDerWaalsContact C-N 3.3Å; V981-E983 PolarHBondContact O-N 3.17Å; E983-N986 WeakPolarHBondContact O-CB 3.42Å; E983-N986 PolarHBondContact O-N 3.45Å; E983-N986 PolarHBondContact OE2-ND2 2.86Å; E983-Y987 PolarHBondContact O-N 2.64Å; E983-K1127 WeakPolarHBondContact OE1-CE 3.43Å; E983-K1127 IonicContact OE1-NZ 3.01Å; E983-K1127 PolarHBondContact OE1-NZ 2.98Å; E983-K1127 WeakPolarHBondContact OE2-CE 3.17Å; E983-K1127 IonicContact OE2-NZ 3.88Å; E983-K1127 PolarHBondContact OE2-NZ 3.32Å; E983-W1137 HydrophobicContact CG-CE3 4.22Å; E983-W1137 HydrophobicContact CG-CZ3 4.15Å; E983-L1140 HydrophobicContact CG-CD2 4.24Å
984	A	96.2	Very high	91.4	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.5	-41.6	175.8	0	0	0	0	0	112.3	F933 I934 C980 V981 Y987 L988 M1013	F933-A984 HydrophobicContact CB-CB 4.18Å; I934-A984 HydrophobicContact CD1-CB 4.35Å; I934-A984 HydrophobicContact CG1-CB 3.89Å; C980-A984 PolarHBondContact O-N 2.91Å; C980-A984 VanDerWaalsContact O-N 3.07Å; V981-A984 PolarHBondContact O-N 2.79Å; A984-Y987 WeakPolarHBondContact O-CB 3.44Å; A984-Y987 PolarHBondContact O-N 2.91Å; A984-L988 WeakPolarHBondContact O-CG 3.48Å; A984-L988 PolarHBondContact O-N 3.11Å; A984-M1013 HydrophobicContact CB-CG 4.02Å; A984-M1013 HydrophobicContact CB-SD 3.36Å; A984-M1013 WeakPolarHBondContact CB-SD 3.17Å
985	L	94.1	Very high	91.3	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-66.2	-40.7	173	-67.1	-178.2	0	0	0	112	V981 Y987 L988 H989 L998 M1013 D1053 I1123	V981-L985 HydrophobicContact CG1-CD1 4.02Å; V981-L985 HydrophobicContact CG1-CG 4.16Å; V981-L985 WeakPolarHBondContact O-CB 3.48Å; V981-L985 WeakPolarHBondContact O-CG 3.31Å; V981-L985 PolarHBondContact O-N 2.97Å; L985-Y987 VanDerWaalsContact C-N 3.26Å; L985-Y987 PolarHBondContact O-N 3.03Å; L985-L988 PolarHBondContact O-N 2.86Å; L985-H989 VanDerWaalsContact O-CB 3.26Å; L985-H989 WeakPolarHBondContact O-CB 3.33Å; L985-H989 PolarHBondContact O-CD2 2.68Å; L985-H989 PolarHBondContact O-N 2.69Å; L985-L998 HydrophobicContact CD1-CD2 4.3Å; L985-M1013 HydrophobicContact CD2-CE 4.22Å; L985-M1013 HydrophobicContact CD2-SD 4.43Å; L985-D1053 HydrophobicContact CD1-CB 3.97Å; L985-D1053 HydrophobicContact CD2-CB 3.71Å; L985-D1053 HydrophobicContact CG-CB 4.47Å; L985-I1123 HydrophobicContact CB-CD1 4Å
986	N	86.8	Confident	91.2	Very high	17 Å²	17	14.2 Å²	14.2	9%	0.091	6%	0.059	C	C	.	.	H	α-helix	trans	-53.9	-43.8	172.6	175.5	41.6	0	0	0	111.2	V982 E983 R990 I1123	V982-N986 WeakPolarHBondContact O-CB 3.39Å; V982-N986 PolarHBondContact O-N 3.39Å; E983-N986 WeakPolarHBondContact O-CB 3.42Å; E983-N986 PolarHBondContact O-N 3.45Å; E983-N986 PolarHBondContact OE2-ND2 2.86Å; N986-R990 WeakPolarHBondContact O-CB 3.3Å; N986-R990 WeakPolarHBondContact O-CD 3.06Å; N986-R990 WeakPolarHBondContact O-CG 3.45Å; N986-R990 PolarHBondContact O-N 3.32Å; N986-R990 VanDerWaalsContact OD1-CZ 3.31Å; N986-R990 PolarHBondContact OD1-NE 2.84Å; N986-R990 PolarHBondContact OD1-NH2 2.93Å; N986-I1123 HydrophobicContact CB-CD1 4.05Å; N986-I1123 HydrophobicContact CB-CG2 3.77Å; N986-I1123 WeakPolarHBondContact OD1-CG2 3.1Å
987	Y	87.1	Confident	91	Very high	31 Å²	31	14.4 Å²	14.4	12%	0.122	6%	0.06	C	C	.	.	H	α-helix	trans	-66	-49.3	176.1	-178.1	-94.1	0	0	0	113	T929 N930 H931 I934 E983 A984 L985 R991	T929-Y987 HydrophobicContact CG2-CE1 4.05Å; N930-Y987 PolarHBondContact N-OH 3.06Å; N930-Y987 WeakPolarHBondContact O-CE2 3.48Å; N930-Y987 PolarHBondContact O-OH 3.47Å; H931-Y987 HydrophobicContact CB-CD1 3.82Å; H931-Y987 HydrophobicContact CB-CD2 3.91Å; H931-Y987 HydrophobicContact CB-CE1 4.06Å; H931-Y987 HydrophobicContact CB-CE2 4.14Å; H931-Y987 HydrophobicContact CB-CG 3.75Å; H931-Y987 AromaticContact CD2-CD2 3.63Å; H931-Y987 AromaticContact CD2-CG 3.81Å; H931-Y987 AromaticContact CG-CD2 3.91Å; H931-Y987 AromaticContact CG-CG 3.72Å; I934-Y987 HydrophobicContact CD1-CD1 3.77Å; I934-Y987 HydrophobicContact CD1-CE1 4.38Å; E983-Y987 PolarHBondContact O-N 2.64Å; A984-Y987 WeakPolarHBondContact O-CB 3.44Å; A984-Y987 PolarHBondContact O-N 2.91Å; L985-Y987 VanDerWaalsContact C-N 3.26Å; L985-Y987 PolarHBondContact O-N 3.03Å; Y987-R991 VanDerWaalsContact CE1-CD 3.44Å; Y987-R991 WeakPolarHBondContact O-CG 3.11Å; Y987-R991 PolarHBondContact O-N 3.39Å
988	L	88.9	Confident	91	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66.6	-43.2	-177.6	-68	170.8	0	0	0	112.7	T929 I934 A984 L985 R990 R991 G992 I993 Y995 M1013 F1016	T929-L988 HydrophobicContact CG2-CD2 4.09Å; I934-L988 HydrophobicContact CD1-CD1 4.2Å; I934-L988 HydrophobicContact CD1-CD2 3.94Å; I934-L988 HydrophobicContact CD1-CG 3.89Å; A984-L988 WeakPolarHBondContact O-CG 3.48Å; A984-L988 PolarHBondContact O-N 3.11Å; L985-L988 PolarHBondContact O-N 2.86Å; L988-R990 PolarHBondContact O-N 3.37Å; L988-R991 CarbonylContact O-C 3.58Å; L988-R991 WeakPolarHBondContact O-CA 3.46Å; L988-R991 PolarHBondContact O-N 3.5Å; L988-G992 PolarHBondContact O-N 3.22Å; L988-I993 CarbonylContact C-O 3.56Å; L988-I993 HydrophobicContact CB-CB 4.3Å; L988-I993 HydrophobicContact CD2-CB 4.33Å; L988-I993 HydrophobicContact CD2-CD1 4.03Å; L988-I993 HydrophobicContact CD2-CG2 4.22Å; L988-I993 PolarHBondContact O-N 3.07Å; L988-Y995 HydrophobicContact CD1-CD2 4.42Å; L988-M1013 HydrophobicContact CD1-CE 4.44Å; L988-F1016 HydrophobicContact CD1-CE1 3.75Å; L988-F1016 HydrophobicContact CD1-CZ 4.08Å; L988-F1016 HydrophobicContact CD2-CE1 3.85Å; L988-F1016 HydrophobicContact CG-CE1 4.46Å
989	H	83.7	Confident	90.8	Very high	21 Å²	21	14.9 Å²	14.9	10%	0.097	6%	0.062	C	C	.	.	H	α-helix	trans	-67	-36.9	-179	-64.8	-175.6	0	0	0	111.4	L985 R991 G992 I993 F1050 D1053 F1054	L985-H989 VanDerWaalsContact O-CB 3.26Å; L985-H989 WeakPolarHBondContact O-CB 3.33Å; L985-H989 PolarHBondContact O-CD2 2.68Å; L985-H989 PolarHBondContact O-N 2.69Å; H989-R991 PolarHBondContact O-N 2.74Å; H989-G992 PolarHBondContact O-N 3.16Å; H989-I993 PolarHBondContact CD2-O 2.93Å; H989-F1050 HydrophobicContact CB-CD2 4.41Å; H989-F1050 PolarHBondContact CE1-O 2.78Å; H989-F1050 VanDerWaalsContact CE1-O 3.26Å; H989-F1050 AromaticContact ND1-CD2 3.63Å; H989-F1050 PolarHBondContact NE2-O 2.91Å; H989-D1053 IonicContact CD2-OD2 3.93Å; H989-D1053 IonicContact CE1-OD2 2.77Å; H989-D1053 IonicContact NE2-OD2 2.73Å; H989-D1053 PolarHBondContact NE2-OD2 3.16Å; H989-F1054 AromaticContact CE1-CE1 3.64Å; H989-F1054 AromaticContact CE1-CZ 3.56Å; H989-F1054 AromaticContact ND1-CE1 3.65Å; H989-F1054 AromaticContact ND1-CZ 3.25Å; H989-F1054 VanDerWaalsContact ND1-CZ 3.25Å; H989-F1054 WeakPolarHBondContact ND1-CZ 3.35Å
990	R	76.6	Confident	90.7	Very high	154 Å²	154	14.9 Å²	14.9	58%	0.581	6%	0.062	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.6	169.6	-75.9	176.2	-167.3	-141.2	3.4	114.3	N986 L988 Y1024	N986-R990 WeakPolarHBondContact O-CB 3.3Å; N986-R990 WeakPolarHBondContact O-CD 3.06Å; N986-R990 WeakPolarHBondContact O-CG 3.45Å; N986-R990 PolarHBondContact O-N 3.32Å; N986-R990 VanDerWaalsContact OD1-CZ 3.31Å; N986-R990 PolarHBondContact OD1-NE 2.84Å; N986-R990 PolarHBondContact OD1-NH2 2.93Å; L988-R990 PolarHBondContact O-N 3.37Å; R990-Y1024 PolarHBondContact O-OH 3.44Å
991	R	78.9	Confident	90.5	Very high	36 Å²	36	15.1 Å²	15.1	14%	0.136	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	0	175	-63.9	174.1	77.9	72.4	-5.1	111.9	E928 Y987 L988 H989 I993 R1021	E928-R991 PolarHBondContact O-NH2 2.55Å; Y987-R991 VanDerWaalsContact CE1-CD 3.44Å; Y987-R991 WeakPolarHBondContact O-CG 3.11Å; Y987-R991 PolarHBondContact O-N 3.39Å; L988-R991 CarbonylContact O-C 3.58Å; L988-R991 WeakPolarHBondContact O-CA 3.46Å; L988-R991 PolarHBondContact O-N 3.5Å; H989-R991 PolarHBondContact O-N 2.74Å; R991-I993 VanDerWaalsContact C-N 3.34Å; R991-I993 HydrophobicContact CB-CD1 3.83Å; R991-I993 HydrophobicContact CB-CG1 4.12Å; R991-R1021 PolarHBondContact O-NH1 2.79Å; R991-R1021 PolarHBondContact O-NH2 2.9Å
992	G	73.9	Confident	90.4	Very high	6 Å²	6	15.6 Å²	15.6	6%	0.062	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	25.3	-177.1	0	0	0	0	0	113.5	L988 H989 I1022 G1023	L988-G992 PolarHBondContact O-N 3.22Å; H989-G992 PolarHBondContact O-N 3.16Å; G992-I1022 PolarHBondContact O-N 3.31Å; G992-G1023 PolarHBondContact O-N 3.38Å
993	I	85.6	Confident	90.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.6	178.3	-53.7	165.5	0	0	0	108.1	I925 L988 H989 R991 A1019	I925-I993 HydrophobicContact CD1-CG2 4.24Å; I925-I993 HydrophobicContact CG2-CD1 4.25Å; I925-I993 HydrophobicContact CG2-CG2 4.22Å; L988-I993 CarbonylContact C-O 3.56Å; L988-I993 HydrophobicContact CB-CB 4.3Å; L988-I993 HydrophobicContact CD2-CB 4.33Å; L988-I993 HydrophobicContact CD2-CD1 4.03Å; L988-I993 HydrophobicContact CD2-CG2 4.22Å; L988-I993 PolarHBondContact O-N 3.07Å; H989-I993 PolarHBondContact CD2-O 2.93Å; R991-I993 VanDerWaalsContact C-N 3.34Å; R991-I993 HydrophobicContact CB-CD1 3.83Å; R991-I993 HydrophobicContact CB-CG1 4.12Å; I993-A1019 HydrophobicContact CG2-CB 4.35Å
994	V	91	Very high	90.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.8	167.7	60.4	0	0	0	0	109	R996 A1019 K1020 I1022 V1052 D1053	V994-R996 HydrophobicContact CB-CG 4.32Å; V994-R996 HydrophobicContact CG1-CG 3.97Å; V994-R996 HydrophobicContact CG2-CG 3.58Å; V994-A1019 CarbonylContact O-C 3.53Å; V994-A1019 VanDerWaalsContact O-CA 3.25Å; V994-A1019 WeakPolarHBondContact O-CA 2.92Å; V994-K1020 WeakPolarHBondContact CG1-O 3.48Å; V994-K1020 PolarHBondContact N-O 3.36Å; V994-K1020 PolarHBondContact O-N 3.01Å; V994-I1022 HydrophobicContact CB-CD1 4.23Å; V994-I1022 HydrophobicContact CG1-CD1 3.93Å; V994-I1022 HydrophobicContact CG1-CG1 4.2Å; V994-I1022 HydrophobicContact CG1-CG2 4.18Å; V994-V1052 HydrophobicContact CG2-CG2 3.57Å; V994-D1053 WeakPolarHBondContact CG2-OD2 3.35Å
995	Y	95.7	Very high	90.6	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.008	7%	0.072	C	C	.	.			trans	-95.1	-42.7	-170.1	178.3	-103.5	0	0	0	114.4	L988 D997 L998 N1002 M1013 T1014 D1015 F1016 F1018 A1019 D1053	L988-Y995 HydrophobicContact CD1-CD2 4.42Å; Y995-D997 VanDerWaalsContact C-N 3.33Å; Y995-D997 WeakPolarHBondContact CE1-O 3.49Å; Y995-D997 PolarHBondContact O-N 3.14Å; Y995-D997 VanDerWaalsContact O-N 3.14Å; Y995-L998 HydrophobicContact CD1-CB 4.01Å; Y995-L998 HydrophobicContact CE1-CB 4.08Å; Y995-N1002 VanDerWaalsContact OH-CB 3.3Å; Y995-N1002 WeakPolarHBondContact OH-CB 3.41Å; Y995-N1002 PolarHBondContact OH-ND2 2.93Å; Y995-M1013 HydrophobicContact CD1-CE 3.29Å; Y995-M1013 HydrophobicContact CD2-CE 3.61Å; Y995-M1013 HydrophobicContact CE1-CE 3.38Å; Y995-M1013 HydrophobicContact CE2-CE 3.72Å; Y995-M1013 HydrophobicContact CG-CE 3.4Å; Y995-M1013 VanDerWaalsContact CG-CE 3.4Å; Y995-T1014 PolarHBondContact OH-O 2.84Å; Y995-D1015 PolarHBondContact OH-O 2.9Å; Y995-F1016 AromaticContact CD2-CD1 3.93Å; Y995-F1016 HydrophobicContact CD2-CD1 3.93Å; Y995-F1016 AromaticContact CD2-CE1 3.72Å; Y995-F1016 HydrophobicContact CD2-CE1 3.72Å; Y995-F1016 HydrophobicContact CD2-CE2 4.43Å; Y995-F1016 HydrophobicContact CD2-CG 4.39Å; Y995-F1016 AromaticContact CD2-CZ 3.99Å; Y995-F1016 HydrophobicContact CD2-CZ 3.99Å; Y995-F1016 HydrophobicContact CE2-CD1 4.07Å; Y995-F1016 AromaticContact CE2-CD2 3.97Å; Y995-F1016 HydrophobicContact CE2-CD2 3.97Å; Y995-F1016 AromaticContact CE2-CE1 3.99Å; Y995-F1016 HydrophobicContact CE2-CE1 3.99Å; Y995-F1016 AromaticContact CE2-CE2 3.88Å; Y995-F1016 HydrophobicContact CE2-CE2 3.88Å; Y995-F1016 HydrophobicContact CE2-CG 4.07Å; Y995-F1016 AromaticContact CE2-CZ 3.9Å; Y995-F1016 HydrophobicContact CE2-CZ 3.9Å; Y995-F1018 CarbonylContact O-C 3.49Å; Y995-A1019 HydrophobicContact CD2-CB 4.39Å; Y995-A1019 PolarHBondContact O-N 2.86Å; Y995-D1053 PolarHBondContact N-OD1 2.84Å; Y995-D1053 PolarHBondContact N-OD2 3.26Å
996	R	94.8	Very high	90.6	Very high	20 Å²	20	17.2 Å²	17.2	8%	0.075	7%	0.074	C	C	.	.			trans	67.7	-6.5	167.6	-50.6	-169.8	-68.3	161.8	6.9	119.8	V994 F1018 C1032 V1052 D1053	V994-R996 HydrophobicContact CB-CG 4.32Å; V994-R996 HydrophobicContact CG1-CG 3.97Å; V994-R996 HydrophobicContact CG2-CG 3.58Å; R996-F1018 HydrophobicContact CB-CB 4.43Å; R996-F1018 PolarHBondContact NE-O 3.47Å; R996-F1018 PolarHBondContact NH2-O 2.96Å; R996-C1032 PolarHBondContact NH1-SG 2.7Å; R996-V1052 HydrophobicContact CG-CG2 4.1Å; R996-D1053 PolarHBondContact N-OD1 3.05Å
997	D	94.8	Very high	90.9	Very high	9 Å²	9	19.8 Å²	19.8	5%	0.048	9%	0.093	C	C	.	.			trans	-133.3	46	172.1	-157.4	44.6	0	0	0	113.4	A576 Y995 K999 N1002 F1018 T1034	A576-D997 WeakPolarHBondContact CB-OD1 3.25Å; A576-D997 WeakPolarHBondContact CB-OD2 3.27Å; Y995-D997 VanDerWaalsContact C-N 3.33Å; Y995-D997 WeakPolarHBondContact CE1-O 3.49Å; Y995-D997 PolarHBondContact O-N 3.14Å; Y995-D997 VanDerWaalsContact O-N 3.14Å; D997-K999 PolarHBondContact O-N 2.86Å; D997-K999 IonicContact OD1-NZ 2.62Å; D997-K999 WeakPolarHBondContact OD2-CE 3.4Å; D997-K999 IonicContact OD2-NZ 3Å; D997-K999 PolarHBondContact OD2-NZ 3.24Å; D997-N1002 PolarHBondContact O-ND2 3.35Å; D997-N1002 PolarHBondContact OD2-ND2 3.12Å; D997-F1018 HydrophobicContact CB-CB 4.41Å; D997-F1018 HydrophobicContact CB-CD2 4.02Å; D997-T1034 WeakPolarHBondContact OD1-CB 3.43Å; D997-T1034 PolarHBondContact OD1-N 3.28Å; D997-T1034 PolarHBondContact OD1-OG1 2.76Å
998	L	97.5	Very high	91.3	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	11%	0.111	C	C	.	.			trans	-72.2	116.2	177.3	176.8	64.8	0	0	0	111	V981 L985 Y995 L1003 M1013 Y1037 A1056 L1057 L1060	V981-L998 HydrophobicContact CG1-CD1 3.71Å; V981-L998 HydrophobicContact CG1-CD2 3.63Å; V981-L998 HydrophobicContact CG1-CG 4.33Å; V981-L998 HydrophobicContact CG2-CD1 4.26Å; L985-L998 HydrophobicContact CD1-CD2 4.3Å; Y995-L998 HydrophobicContact CD1-CB 4.01Å; Y995-L998 HydrophobicContact CE1-CB 4.08Å; L998-L1003 HydrophobicContact CD1-CD1 4.31Å; L998-L1003 HydrophobicContact CD1-CD2 4.12Å; L998-L1003 HydrophobicContact CD1-CG 4.46Å; L998-M1013 HydrophobicContact CD1-CE 4.31Å; L998-Y1037 WeakPolarHBondContact O-CD1 3.4Å; L998-Y1037 VanDerWaalsContact O-CE1 3.22Å; L998-Y1037 WeakPolarHBondContact O-CE1 3.21Å; L998-A1056 HydrophobicContact CB-CB 3.95Å; L998-A1056 HydrophobicContact CD2-CB 4.3Å; L998-L1057 HydrophobicContact CD2-CB 4.13Å; L998-L1060 HydrophobicContact CD1-CD2 4.01Å; L998-L1060 HydrophobicContact CD2-CD2 4.17Å; L998-L1060 HydrophobicContact CG-CD2 4.12Å
999	K	95.7	Very high	91.6	Very high	9 Å²	9	23.4 Å²	23.4	4%	0.039	11%	0.111	C	C	.	.	S	Bend	trans	-159.2	161.6	178	60.8	-177.1	168.5	-167.5	0	110.3	R574 D997 E1001 N1002 T1034 Y1037	R574-K999 PolarHBondContact O-NZ 3.21Å; D997-K999 PolarHBondContact O-N 2.86Å; D997-K999 IonicContact OD1-NZ 2.62Å; D997-K999 WeakPolarHBondContact OD2-CE 3.4Å; D997-K999 IonicContact OD2-NZ 3Å; D997-K999 PolarHBondContact OD2-NZ 3.24Å; K999-E1001 WeakPolarHBondContact CB-OE2 3.36Å; K999-E1001 HydrophobicContact CD-CB 3.96Å; K999-E1001 HydrophobicContact CD-CG 4.35Å; K999-E1001 HydrophobicContact CG-CB 3.99Å; K999-E1001 WeakPolarHBondContact CG-OE2 3.33Å; K999-E1001 PolarHBondContact O-N 2.93Å; K999-E1001 VanDerWaalsContact O-N 3.13Å; K999-N1002 VanDerWaalsContact CE-CG 3.43Å; K999-N1002 WeakPolarHBondContact CE-ND2 3.26Å; K999-N1002 WeakPolarHBondContact CE-OD1 3.38Å; K999-N1002 HydrophobicContact CG-CB 4.32Å; K999-N1002 PolarHBondContact O-N 2.97Å; K999-T1034 HydrophobicContact CD-CG2 4.22Å; K999-T1034 WeakPolarHBondContact CD-OG1 3.38Å; K999-T1034 PolarHBondContact NZ-OG1 2.82Å; K999-Y1037 HydrophobicContact CB-CD2 4.21Å; K999-Y1037 HydrophobicContact CB-CE1 4.35Å; K999-Y1037 HydrophobicContact CB-CE2 3.95Å
1000	P	96.1	Very high	92.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-54.7	-29.4	178.3	-26.5	34.4	0	0	0	114.7	W960 L963 N1002 L1003 Y1037 L1060 E1063	W960-P1000 HydrophobicContact CB-CB 3.94Å; W960-P1000 PolarHBondContact N-O 3Å; W960-P1000 VanDerWaalsContact N-O 3.14Å; L963-P1000 HydrophobicContact CD2-CB 4.28Å; L963-P1000 HydrophobicContact CD2-CG 3.86Å; P1000-N1002 VanDerWaalsContact C-N 3.3Å; P1000-N1002 PolarHBondContact O-N 3.31Å; P1000-L1003 PolarHBondContact O-N 2.87Å; P1000-Y1037 VanDerWaalsContact CD-OH 3.25Å; P1000-Y1037 WeakPolarHBondContact CD-OH 3.39Å; P1000-L1060 HydrophobicContact CG-CD1 3.8Å; P1000-E1063 HydrophobicContact CG-CG 4.31Å
1001	E	93.6	Very high	93.3	Very high	6 Å²	6	15.4 Å²	15.4	3%	0.028	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-65.4	-30	178.2	-64.2	85.8	152.2	0	0	112.8	K573 R574 W960 K999	K573-E1001 HydrophobicContact CD-CG 4.45Å; K573-E1001 HydrophobicContact CG-CB 4.49Å; K573-E1001 HydrophobicContact CG-CG 3.58Å; R574-E1001 VanDerWaalsContact CB-OE1 3.3Å; R574-E1001 WeakPolarHBondContact CB-OE1 3.47Å; R574-E1001 VanDerWaalsContact CG-OE1 3.3Å; R574-E1001 WeakPolarHBondContact CG-OE1 3.37Å; R574-E1001 IonicContact CZ-OE1 2.79Å; R574-E1001 PolarHBondContact N-OE1 3.14Å; R574-E1001 IonicContact NH1-OE1 3.48Å; R574-E1001 PolarHBondContact NH1-OE1 2.99Å; R574-E1001 IonicContact NH1-OE2 2.7Å; W960-E1001 HydrophobicContact CB-CG 4.1Å; W960-E1001 HydrophobicContact CD2-CG 4.43Å; W960-E1001 HydrophobicContact CG-CG 3.8Å; W960-E1001 PolarHBondContact NE1-OE1 2.8Å; K999-E1001 WeakPolarHBondContact CB-OE2 3.36Å; K999-E1001 HydrophobicContact CD-CB 3.96Å; K999-E1001 HydrophobicContact CD-CG 4.35Å; K999-E1001 HydrophobicContact CG-CB 3.99Å; K999-E1001 WeakPolarHBondContact CG-OE2 3.33Å; K999-E1001 PolarHBondContact O-N 2.93Å; K999-E1001 VanDerWaalsContact O-N 3.13Å
1002	N	95.5	Very high	94.2	Very high	11 Å²	11	13.7 Å²	13.7	6%	0.059	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-99.7	19.6	-178.4	-60.5	5.5	0	0	0	112.2	Y995 D997 K999 P1000 T1014	Y995-N1002 VanDerWaalsContact OH-CB 3.3Å; Y995-N1002 WeakPolarHBondContact OH-CB 3.41Å; Y995-N1002 PolarHBondContact OH-ND2 2.93Å; D997-N1002 PolarHBondContact O-ND2 3.35Å; D997-N1002 PolarHBondContact OD2-ND2 3.12Å; K999-N1002 VanDerWaalsContact CE-CG 3.43Å; K999-N1002 WeakPolarHBondContact CE-ND2 3.26Å; K999-N1002 WeakPolarHBondContact CE-OD1 3.38Å; K999-N1002 HydrophobicContact CG-CB 4.32Å; K999-N1002 PolarHBondContact O-N 2.97Å; P1000-N1002 VanDerWaalsContact C-N 3.3Å; P1000-N1002 PolarHBondContact O-N 3.31Å; N1002-T1014 HydrophobicContact CB-CG2 4.5Å; N1002-T1014 WeakPolarHBondContact O-CG2 3.16Å; N1002-T1014 PolarHBondContact O-N 2.88Å
1003	L	97.7	Very high	95.4	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.9	178.8	-65.7	177.8	0	0	0	109.1	L959 V981 L998 P1000 M1013 L1060	L959-L1003 HydrophobicContact CB-CB 3.91Å; L959-L1003 WeakPolarHBondContact CB-O 3.17Å; L959-L1003 HydrophobicContact CD2-CB 4.02Å; L959-L1003 HydrophobicContact CD2-CD1 3.84Å; L959-L1003 PolarHBondContact N-O 2.61Å; V981-L1003 HydrophobicContact CG2-CD1 3.89Å; V981-L1003 HydrophobicContact CG2-CD2 3.67Å; V981-L1003 HydrophobicContact CG2-CG 4.48Å; L998-L1003 HydrophobicContact CD1-CD1 4.31Å; L998-L1003 HydrophobicContact CD1-CD2 4.12Å; L998-L1003 HydrophobicContact CD1-CG 4.46Å; P1000-L1003 PolarHBondContact O-N 2.87Å; L1003-M1013 HydrophobicContact CD2-CB 4.46Å; L1003-M1013 HydrophobicContact CD2-CG 3.63Å; L1003-L1060 HydrophobicContact CD1-CD1 4Å; L1003-L1060 HydrophobicContact CD1-CD2 3.79Å
1004	L	97	Very high	95.8	Very high	28 Å²	28	14.7 Å²	14.7	15%	0.147	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	152.3	179.5	-54.4	-177.5	0	0	0	110.7	V935 C954 G957 E958 C1011 K1012 T1014	V935-L1004 HydrophobicContact CG2-CD1 4.31Å; C954-L1004 HydrophobicContact CB-CB 3.54Å; C954-L1004 HydrophobicContact CB-CD1 3.87Å; C954-L1004 HydrophobicContact CB-CG 4.34Å; G957-L1004 CarbonylContact O-C 3.55Å; G957-L1004 WeakPolarHBondContact O-CA 3.27Å; E958-L1004 HydrophobicContact CB-CD2 4.47Å; E958-L1004 HydrophobicContact CG-CD2 3.77Å; L1004-C1011 CarbonylContact O-C 3.49Å; L1004-C1011 WeakPolarHBondContact O-CA 3.2Å; L1004-K1012 PolarHBondContact N-O 3.31Å; L1004-K1012 PolarHBondContact O-N 3.45Å; L1004-T1014 HydrophobicContact CD1-CG2 3.92Å; L1004-T1014 HydrophobicContact CD2-CG2 4.21Å; L1004-T1014 HydrophobicContact CG-CG2 3.73Å
1005	L	97.1	Very high	95.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	133.9	167.1	-61.8	-161.9	0	0	0	111.2	C954 G956 G957 L959 L962 Y977 F1010 C1011 P1151	C954-L1005 CarbonylContact C-O 3.54Å; C954-L1005 WeakPolarHBondContact CB-O 3.29Å; G956-L1005 WeakPolarHBondContact CA-O 3.44Å; G956-L1005 PolarHBondContact N-O 2.89Å; G957-L1005 PolarHBondContact O-N 3.09Å; L959-L1005 HydrophobicContact CD1-CD2 4.35Å; L962-L1005 HydrophobicContact CD1-CD1 3.38Å; L962-L1005 HydrophobicContact CD1-CG 4.01Å; Y977-L1005 HydrophobicContact CD1-CD2 4.18Å; Y977-L1005 HydrophobicContact CE1-CD1 4.25Å; Y977-L1005 HydrophobicContact CE1-CD2 3.57Å; L1005-F1010 WeakPolarHBondContact CA-O 3.39Å; L1005-C1011 HydrophobicContact CD2-CB 3.74Å; L1005-P1151 HydrophobicContact CB-CG 4.38Å; L1005-P1151 HydrophobicContact CD1-CG 4.38Å
1006	D	95.2	Very high	95.7	Very high	10 Å²	10	17.7 Å²	17.7	5%	0.053	10%	0.095	C	C	.	.			trans	-76.5	179.2	168.6	73.1	27.7	0	0	0	112.4	Q1008 G1009 F1010 K1012 R1143	D1006-Q1008 PolarHBondContact O-N 3.14Å; D1006-Q1008 VanDerWaalsContact O-N 3.09Å; D1006-Q1008 PolarHBondContact OD1-N 3.18Å; D1006-G1009 PolarHBondContact O-N 3.19Å; D1006-G1009 PolarHBondContact OD1-N 3.04Å; D1006-F1010 PolarHBondContact N-O 3.47Å; D1006-F1010 PolarHBondContact OD1-N 2.91Å; D1006-K1012 WeakPolarHBondContact OD2-CE 3.37Å; D1006-R1143 IonicContact OD1-NH2 3.76Å; D1006-R1143 PolarHBondContact OD1-NH2 2.72Å; D1006-R1143 IonicContact OD2-CZ 2.64Å; D1006-R1143 IonicContact OD2-NH1 2.96Å; D1006-R1143 PolarHBondContact OD2-NH1 3.13Å; D1006-R1143 IonicContact OD2-NH2 3.78Å; D1006-R1143 PolarHBondContact OD2-NH2 2.72Å
1007	S	93.5	Very high	95.4	Very high	71 Å²	71	17.4 Å²	17.4	50%	0.497	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-9.1	-174.9	54.8	0	0	0	0	115.4	I1153	S1007-I1153 VanDerWaalsContact CA-CD1 3.46Å
1008	Q	94.4	Very high	95.1	Very high	106 Å²	106	18.5 Å²	18.5	50%	0.495	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-8.9	171	-63.8	-172.3	-53.1	0	0	112.7	D1006 F1010 V1147	D1006-Q1008 PolarHBondContact O-N 3.14Å; D1006-Q1008 VanDerWaalsContact O-N 3.09Å; D1006-Q1008 PolarHBondContact OD1-N 3.18Å; Q1008-F1010 HydrophobicContact CB-CD2 3.98Å; Q1008-F1010 HydrophobicContact CB-CE2 4.33Å; Q1008-V1147 WeakPolarHBondContact O-CG2 3.4Å
1009	G	96.2	Very high	94.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	94.2	8.2	-177.1	0	0	0	0	0	115.2	D1006 P1151	D1006-G1009 PolarHBondContact O-N 3.19Å; D1006-G1009 PolarHBondContact OD1-N 3.04Å; G1009-P1151 VanDerWaalsContact CA-CD 3.5Å
1010	F	97.8	Very high	94.5	Very high	5 Å²	5	20.2 Å²	20.2	2%	0.022	11%	0.111	C	C	.	.			trans	-76.9	142	170.8	-72	-95.2	0	0	0	110.2	F933 F976 L1005 D1006 Q1008 L1140 R1143 I1145 V1147	F933-F1010 HydrophobicContact CE1-CB 4.46Å; F933-F1010 AromaticContact CE1-CD1 3.95Å; F933-F1010 HydrophobicContact CE1-CD1 3.95Å; F976-F1010 HydrophobicContact CE2-CD1 4.27Å; F976-F1010 HydrophobicContact CE2-CE1 4.09Å; F976-F1010 AromaticContact CZ-CD1 3.7Å; F976-F1010 HydrophobicContact CZ-CD1 3.7Å; F976-F1010 AromaticContact CZ-CE1 3.91Å; F976-F1010 HydrophobicContact CZ-CE1 3.91Å; F976-F1010 HydrophobicContact CZ-CG 4.3Å; L1005-F1010 WeakPolarHBondContact CA-O 3.39Å; D1006-F1010 PolarHBondContact N-O 3.47Å; D1006-F1010 PolarHBondContact OD1-N 2.91Å; Q1008-F1010 HydrophobicContact CB-CD2 3.98Å; Q1008-F1010 HydrophobicContact CB-CE2 4.33Å; F1010-L1140 HydrophobicContact CD1-CD1 4.19Å; F1010-L1140 HydrophobicContact CE1-CD1 4.13Å; F1010-R1143 VanDerWaalsContact CD2-NH2 3.28Å; F1010-R1143 HydrophobicContact CE1-CB 4.27Å; F1010-R1143 HydrophobicContact CE1-CG 4.32Å; F1010-R1143 HydrophobicContact CE2-CB 4.1Å; F1010-R1143 HydrophobicContact CE2-CG 4.5Å; F1010-R1143 HydrophobicContact CZ-CB 3.85Å; F1010-R1143 HydrophobicContact CZ-CG 4.32Å; F1010-I1145 HydrophobicContact CE1-CG2 3.88Å; F1010-I1145 HydrophobicContact CZ-CG2 4.19Å; F1010-V1147 HydrophobicContact CD2-CG1 3.72Å; F1010-V1147 HydrophobicContact CE1-CG1 4.32Å; F1010-V1147 HydrophobicContact CE2-CG1 3.47Å; F1010-V1147 VanDerWaalsContact CE2-CG1 3.47Å; F1010-V1147 HydrophobicContact CG-CG1 4.26Å; F1010-V1147 HydrophobicContact CZ-CG1 3.79Å
1011	C	97.5	Very high	93.9	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.014	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	133.5	-173.8	176.2	0	0	0	0	111.9	F933 Y977 C980 L1004 L1005	F933-C1011 WeakPolarHBondContact CD1-O 3.35Å; Y977-C1011 HydrophobicContact CD1-CB 3.72Å; Y977-C1011 HydrophobicContact CE1-CB 4.3Å; C980-C1011 HydrophobicContact CB-CB 3.85Å; L1004-C1011 CarbonylContact O-C 3.49Å; L1004-C1011 WeakPolarHBondContact O-CA 3.2Å; L1005-C1011 HydrophobicContact CD2-CB 3.74Å
1012	K	98.1	Very high	93.1	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135	178.8	-53.5	-163.6	176.8	-145	0	111.2	E932 F933 V935 E952 L1004 D1006	E932-K1012 WeakPolarHBondContact O-CD 3.27Å; E932-K1012 WeakPolarHBondContact O-CE 3.49Å; E932-K1012 PolarHBondContact O-NZ 2.85Å; E932-K1012 IonicContact OE1-NZ 3.59Å; E932-K1012 PolarHBondContact OE1-NZ 3.03Å; E932-K1012 IonicContact OE2-NZ 3.44Å; F933-K1012 WeakPolarHBondContact O-CA 3.36Å; V935-K1012 HydrophobicContact CG2-CB 3.99Å; E952-K1012 IonicContact OE1-NZ 2.73Å; E952-K1012 PolarHBondContact OE1-NZ 3.48Å; E952-K1012 IonicContact OE2-NZ 2.63Å; L1004-K1012 PolarHBondContact N-O 3.31Å; L1004-K1012 PolarHBondContact O-N 3.45Å; D1006-K1012 WeakPolarHBondContact OD2-CE 3.37Å
1013	M	98.1	Very high	91.4	Very high	2 Å²	2	25 Å²	25	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	133.6	171.8	-69.1	-179.4	63	0	0	110.6	F933 V935 V981 A984 L985 L988 Y995 L998 L1003 F1016	F933-M1013 PolarHBondContact O-N 2.98Å; V935-M1013 WeakPolarHBondContact CG2-O 3.08Å; V935-M1013 PolarHBondContact N-O 3.04Å; V981-M1013 HydrophobicContact CG1-SD 4.36Å; A984-M1013 HydrophobicContact CB-CG 4.02Å; A984-M1013 HydrophobicContact CB-SD 3.36Å; A984-M1013 WeakPolarHBondContact CB-SD 3.17Å; L985-M1013 HydrophobicContact CD2-CE 4.22Å; L985-M1013 HydrophobicContact CD2-SD 4.43Å; L988-M1013 HydrophobicContact CD1-CE 4.44Å; Y995-M1013 HydrophobicContact CD1-CE 3.29Å; Y995-M1013 HydrophobicContact CD2-CE 3.61Å; Y995-M1013 HydrophobicContact CE1-CE 3.38Å; Y995-M1013 HydrophobicContact CE2-CE 3.72Å; Y995-M1013 HydrophobicContact CG-CE 3.4Å; Y995-M1013 VanDerWaalsContact CG-CE 3.4Å; L998-M1013 HydrophobicContact CD1-CE 4.31Å; L1003-M1013 HydrophobicContact CD2-CB 4.46Å; L1003-M1013 HydrophobicContact CD2-CG 3.63Å; M1013-F1016 HydrophobicContact CB-CE2 4.36Å; M1013-F1016 HydrophobicContact CB-CZ 4.41Å
1014	T	95.3	Very high	89.6	Confident	25 Å²	25	29.2 Å²	29.2	15%	0.153	15%	0.15	C	C	.	.			trans	-121.5	-170.2	175.8	-164.7	0	0	0	0	111.2	Y995 N1002 L1004	Y995-T1014 PolarHBondContact OH-O 2.84Å; N1002-T1014 HydrophobicContact CB-CG2 4.5Å; N1002-T1014 WeakPolarHBondContact O-CG2 3.16Å; N1002-T1014 PolarHBondContact O-N 2.88Å; L1004-T1014 HydrophobicContact CD1-CG2 3.92Å; L1004-T1014 HydrophobicContact CD2-CG2 4.21Å; L1004-T1014 HydrophobicContact CG-CG2 3.73Å
1015	D	90.5	Very high	87.6	Confident	64 Å²	64	29.6 Å²	29.6	34%	0.342	16%	0.161	S	C	.	.			trans	41.7	89.5	176.6	-155.5	14.1	0	0	0	115.1	K903 Y995	K903-D1015 IonicContact NZ-OD1 2.84Å; K903-D1015 PolarHBondContact NZ-OD1 3.19Å; Y995-D1015 PolarHBondContact OH-O 2.9Å
1016	F	93.3	Very high	86	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.			trans	-98.1	15.1	-174.8	-82.4	-109	0	0	0	112.8	E922 I925 L926 I934 L988 Y995 M1013 F1018 A1019	E922-F1016 HydrophobicContact CG-CB 4.1Å; E922-F1016 PolarHBondContact OE1-N 3.35Å; E922-F1016 VanDerWaalsContact OE1-N 3.14Å; I925-F1016 HydrophobicContact CG2-CD1 3.61Å; I925-F1016 HydrophobicContact CG2-CE1 4.21Å; I925-F1016 HydrophobicContact CG2-CG 4.47Å; L926-F1016 HydrophobicContact CD1-CB 4.44Å; L926-F1016 HydrophobicContact CD2-CB 4.26Å; L926-F1016 HydrophobicContact CD2-CD2 3.5Å; L926-F1016 VanDerWaalsContact CD2-CD2 3.5Å; L926-F1016 HydrophobicContact CD2-CE2 3.93Å; L926-F1016 HydrophobicContact CD2-CG 3.85Å; L926-F1016 HydrophobicContact CG-CB 4.05Å; L926-F1016 HydrophobicContact CG-CD2 4.22Å; L926-F1016 HydrophobicContact CG-CG 4.17Å; I934-F1016 HydrophobicContact CD1-CZ 4.39Å; I934-F1016 HydrophobicContact CG1-CZ 4.49Å; I934-F1016 HydrophobicContact CG2-CE2 3.89Å; I934-F1016 HydrophobicContact CG2-CZ 3.69Å; L988-F1016 HydrophobicContact CD1-CE1 3.75Å; L988-F1016 HydrophobicContact CD1-CZ 4.08Å; L988-F1016 HydrophobicContact CD2-CE1 3.85Å; L988-F1016 HydrophobicContact CG-CE1 4.46Å; Y995-F1016 AromaticContact CD2-CD1 3.93Å; Y995-F1016 HydrophobicContact CD2-CD1 3.93Å; Y995-F1016 AromaticContact CD2-CE1 3.72Å; Y995-F1016 HydrophobicContact CD2-CE1 3.72Å; Y995-F1016 HydrophobicContact CD2-CE2 4.43Å; Y995-F1016 HydrophobicContact CD2-CG 4.39Å; Y995-F1016 AromaticContact CD2-CZ 3.99Å; Y995-F1016 HydrophobicContact CD2-CZ 3.99Å; Y995-F1016 HydrophobicContact CE2-CD1 4.07Å; Y995-F1016 AromaticContact CE2-CD2 3.97Å; Y995-F1016 HydrophobicContact CE2-CD2 3.97Å; Y995-F1016 AromaticContact CE2-CE1 3.99Å; Y995-F1016 HydrophobicContact CE2-CE1 3.99Å; Y995-F1016 AromaticContact CE2-CE2 3.88Å; Y995-F1016 HydrophobicContact CE2-CE2 3.88Å; Y995-F1016 HydrophobicContact CE2-CG 4.07Å; Y995-F1016 AromaticContact CE2-CZ 3.9Å; Y995-F1016 HydrophobicContact CE2-CZ 3.9Å; M1013-F1016 HydrophobicContact CB-CE2 4.36Å; M1013-F1016 HydrophobicContact CB-CZ 4.41Å; F1016-F1018 PolarHBondContact O-N 3.08Å; F1016-F1018 VanDerWaalsContact O-N 3.16Å; F1016-A1019 HydrophobicContact CB-CB 4.09Å; F1016-A1019 HydrophobicContact CD1-CB 3.62Å; F1016-A1019 HydrophobicContact CG-CB 4.27Å; F1016-A1019 WeakPolarHBondContact O-CB 2.82Å; F1016-A1019 PolarHBondContact O-N 2.98Å
1017	G	87.8	Confident	85.1	Confident	15 Å²	15	34 Å²	34	16%	0.155	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-35.5	-179.5	0	0	0	0	0	114.7	H918	H918-G1017 WeakPolarHBondContact CB-O 3.23Å; H918-G1017 PolarHBondContact ND1-O 2.68Å
1018	F	88.9	Confident	84.6	Confident	31 Å²	31	31.1 Å²	31.1	14%	0.136	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-1.6	176.6	-69.5	-3.5	0	0	0	114.3	A576 I577 H918 Y995 R996 D997 F1016 C1032	A576-F1018 HydrophobicContact CB-CD2 4.3Å; A576-F1018 HydrophobicContact CB-CE2 3.5Å; A576-F1018 HydrophobicContact CB-CZ 4.13Å; I577-F1018 WeakPolarHBondContact O-CE2 3.18Å; I577-F1018 WeakPolarHBondContact O-CZ 3.15Å; H918-F1018 AromaticContact ND1-CD1 3.58Å; H918-F1018 AromaticContact ND1-CE1 3.71Å; Y995-F1018 CarbonylContact O-C 3.49Å; R996-F1018 HydrophobicContact CB-CB 4.43Å; R996-F1018 PolarHBondContact NE-O 3.47Å; R996-F1018 PolarHBondContact NH2-O 2.96Å; D997-F1018 HydrophobicContact CB-CB 4.41Å; D997-F1018 HydrophobicContact CB-CD2 4.02Å; F1016-F1018 PolarHBondContact O-N 3.08Å; F1016-F1018 VanDerWaalsContact O-N 3.16Å; F1018-C1032 HydrophobicContact CD2-CB 3.82Å; F1018-C1032 HydrophobicContact CE2-CB 3.91Å; F1018-C1032 HydrophobicContact CG-CB 4.17Å; F1018-C1032 HydrophobicContact CZ-CB 4.34Å
1019	A	92.2	Very high	84	Confident	2 Å²	2	28.6 Å²	28.6	2%	0.017	15%	0.148	C	C	.	.			trans	-66.3	142.1	175.6	0	0	0	0	0	110.6	I925 I993 V994 Y995 F1016	I925-A1019 HydrophobicContact CD1-CB 3.75Å; I925-A1019 WeakPolarHBondContact CD1-O 3.47Å; I925-A1019 HydrophobicContact CG2-CB 4.35Å; I993-A1019 HydrophobicContact CG2-CB 4.35Å; V994-A1019 CarbonylContact O-C 3.53Å; V994-A1019 VanDerWaalsContact O-CA 3.25Å; V994-A1019 WeakPolarHBondContact O-CA 2.92Å; Y995-A1019 HydrophobicContact CD2-CB 4.39Å; Y995-A1019 PolarHBondContact O-N 2.86Å; F1016-A1019 HydrophobicContact CB-CB 4.09Å; F1016-A1019 HydrophobicContact CD1-CB 3.62Å; F1016-A1019 HydrophobicContact CG-CB 4.27Å; F1016-A1019 WeakPolarHBondContact O-CB 2.82Å; F1016-A1019 PolarHBondContact O-N 2.98Å
1020	K	88.6	Confident	83.2	Confident	44 Å²	44	29.6 Å²	29.6	19%	0.191	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	129.1	179.1	-161	140.4	179.8	159.1	0	111.4	E580 E917 V994 I1022	E580-K1020 IonicContact OE1-NZ 3.19Å; E917-K1020 IonicContact OE1-NZ 3.45Å; E917-K1020 PolarHBondContact OE1-NZ 3.47Å; V994-K1020 WeakPolarHBondContact CG1-O 3.48Å; V994-K1020 PolarHBondContact N-O 3.36Å; V994-K1020 PolarHBondContact O-N 3.01Å; K1020-I1022 HydrophobicContact CB-CG2 4.46Å; K1020-I1022 HydrophobicContact CG-CG2 4.37Å; K1020-I1022 PolarHBondContact O-N 3.13Å
1021	R	83.5	Confident	82.3	Confident	87 Å²	87	29.8 Å²	29.8	33%	0.328	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	100.9	170.9	172.3	167.8	-77.7	-69.1	0.2	108.5	E928 R991	E928-R1021 IonicContact OE1-CZ 3.22Å; E928-R1021 VanDerWaalsContact OE1-CZ 3.25Å; E928-R1021 IonicContact OE1-NE 3.51Å; E928-R1021 PolarHBondContact OE1-NE 2.93Å; E928-R1021 IonicContact OE1-NH2 2.7Å; E928-R1021 PolarHBondContact OE1-NH2 2.97Å; E928-R1021 IonicContact OE2-CZ 3.59Å; E928-R1021 IonicContact OE2-NE 3.82Å; E928-R1021 IonicContact OE2-NH2 3.02Å; E928-R1021 PolarHBondContact OE2-NH2 2.78Å; R991-R1021 PolarHBondContact O-NH1 2.79Å; R991-R1021 PolarHBondContact O-NH2 2.9Å
1022	I	76.5	Confident	81.7	Confident	18 Å²	18	30 Å²	30	9%	0.092	16%	0.156	C	C	.	.			trans	-100.2	-29.5	-178.7	54.1	169.7	0	0	0	112.7	G992 V994 K1020 N1026 T1028 D1049	G992-I1022 PolarHBondContact O-N 3.31Å; V994-I1022 HydrophobicContact CB-CD1 4.23Å; V994-I1022 HydrophobicContact CG1-CD1 3.93Å; V994-I1022 HydrophobicContact CG1-CG1 4.2Å; V994-I1022 HydrophobicContact CG1-CG2 4.18Å; K1020-I1022 HydrophobicContact CB-CG2 4.46Å; K1020-I1022 HydrophobicContact CG-CG2 4.37Å; K1020-I1022 PolarHBondContact O-N 3.13Å; I1022-N1026 WeakPolarHBondContact O-CB 3.01Å; I1022-N1026 PolarHBondContact O-ND2 2.77Å; I1022-T1028 HydrophobicContact CG2-CG2 3.93Å; I1022-D1049 HydrophobicContact CD1-CB 3.9Å
1023	G	59.7	Low	81.1	Confident	14 Å²	14	30 Å²	30	14%	0.144	16%	0.157	C	C	.	.			trans	78.3	174.6	-169.7	0	0	0	0	0	113.3	G992	G992-G1023 PolarHBondContact O-N 3.38Å
1024	Y	59.7	Low	80.6	Confident	88 Å²	88	29.9 Å²	29.9	35%	0.345	16%	0.156	S	C	.	.	S	Bend	trans	-86.1	132.5	-169.2	-67	-116.8	0	0	0	111.3	K335 E742 R990 N1026	K335-Y1024 HydrophobicContact CD-CD2 4.17Å; K335-Y1024 VanDerWaalsContact NZ-CG 3.35Å; E742-Y1024 WeakPolarHBondContact OE1-CD1 3.28Å; R990-Y1024 PolarHBondContact O-OH 3.44Å; Y1024-N1026 PolarHBondContact O-N 3.08Å
1025	G	55.7	Low	80.3	Confident	37 Å²	37	29.1 Å²	29.1	38%	0.381	15%	0.152	S	C	.	.	S	Bend	trans	75.8	-9.2	-178.4	0	0	0	0	0	114.8
1026	N	63.4	Low	80.4	Confident	67 Å²	67	27.4 Å²	27.4	36%	0.358	14%	0.142	S	C	.	.			trans	-80.7	162.7	171.3	-69.4	-19.1	0	0	0	111.1	I1022 Y1024	I1022-N1026 WeakPolarHBondContact O-CB 3.01Å; I1022-N1026 PolarHBondContact O-ND2 2.77Å; Y1024-N1026 PolarHBondContact O-N 3.08Å
1027	K	77.3	Confident	80.6	Confident	35 Å²	35	27.9 Å²	27.9	15%	0.152	14%	0.144	C	C	.	.			trans	-129	162.5	175.5	-74.4	179.3	165.1	-140.1	0	110.8	W1029 K1046 G1047 H1048 D1049	K1027-W1029 HydrophobicContact CB-CH2 3.74Å; K1027-W1029 HydrophobicContact CB-CZ2 3.88Å; K1027-W1029 HydrophobicContact CB-CZ3 4.23Å; K1027-W1029 WeakPolarHBondContact O-CZ3 3.2Å; K1027-K1046 PolarHBondContact NZ-O 3.28Å; K1027-G1047 WeakPolarHBondContact CE-O 3.47Å; K1027-G1047 PolarHBondContact NZ-O 3.14Å; K1027-H1048 CarbonylContact C-O 3.54Å; K1027-H1048 VanDerWaalsContact CA-O 3.27Å; K1027-H1048 WeakPolarHBondContact CA-O 3.43Å; K1027-D1049 HydrophobicContact CG-CB 4.49Å
1028	T	81.4	Confident	80.8	Confident	11 Å²	11	27.5 Å²	27.5	7%	0.067	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-120.8	158.2	165.5	175.1	0	0	0	0	110	I1022 G1047 H1048	I1022-T1028 HydrophobicContact CG2-CG2 3.93Å; T1028-G1047 CarbonylContact O-C 3.54Å; T1028-G1047 VanDerWaalsContact O-CA 3.32Å; T1028-G1047 WeakPolarHBondContact O-CA 3.15Å; T1028-H1048 PolarHBondContact N-O 3.05Å; T1028-H1048 PolarHBondContact O-CE1 3.01Å; T1028-H1048 PolarHBondContact O-N 3.02Å; T1028-H1048 PolarHBondContact O-ND1 3.15Å
1029	W	82.8	Confident	81	Confident	53 Å²	53	26 Å²	26	20%	0.201	13%	0.132	C	C	.	.			trans	-122.8	0.1	-177.5	-67.2	-96.5	0	0	0	113.3	M716 I720 K1027 F1031 N1045 G1047	M716-W1029 HydrophobicContact CB-CD2 4.22Å; M716-W1029 HydrophobicContact CB-CG 4.1Å; M716-W1029 HydrophobicContact CG-CD2 3.66Å; M716-W1029 HydrophobicContact CG-CE3 3.92Å; M716-W1029 HydrophobicContact CG-CG 4.06Å; M716-W1029 HydrophobicContact CG-CH2 4.43Å; M716-W1029 HydrophobicContact CG-CZ2 4.19Å; M716-W1029 HydrophobicContact CG-CZ3 4.29Å; M716-W1029 HydrophobicContact SD-CD2 4.29Å; M716-W1029 HydrophobicContact SD-CE3 4.04Å; M716-W1029 HydrophobicContact SD-CZ3 4.46Å; I720-W1029 HydrophobicContact CD1-CH2 3.66Å; I720-W1029 HydrophobicContact CD1-CZ2 3.94Å; I720-W1029 HydrophobicContact CD1-CZ3 4.27Å; I720-W1029 HydrophobicContact CG1-CH2 3.66Å; I720-W1029 HydrophobicContact CG1-CZ2 3.57Å; K1027-W1029 HydrophobicContact CB-CH2 3.74Å; K1027-W1029 HydrophobicContact CB-CZ2 3.88Å; K1027-W1029 HydrophobicContact CB-CZ3 4.23Å; K1027-W1029 WeakPolarHBondContact O-CZ3 3.2Å; W1029-F1031 PolarHBondContact O-N 3.13Å; W1029-F1031 VanDerWaalsContact O-N 3.08Å; W1029-N1045 PolarHBondContact O-OD1 3.23Å; W1029-G1047 VanDerWaalsContact NE1-CA 3.29Å
1030	T	78	Confident	81	Confident	20 Å²	20	26.4 Å²	26.4	12%	0.123	13%	0.134	C	C	.	.			trans	-60.6	108.4	173.3	-60.2	0	0	0	0	110.5	E580 C1032 H1048	E580-T1030 HydrophobicContact CG-CG2 3.32Å; E580-T1030 WeakPolarHBondContact OE1-CB 3.06Å; E580-T1030 WeakPolarHBondContact OE1-CG2 3.45Å; E580-T1030 PolarHBondContact OE1-OG1 3.41Å; T1030-C1032 HydrophobicContact CG2-CB 4.11Å; T1030-C1032 PolarHBondContact O-N 3.22Å; T1030-C1032 VanDerWaalsContact O-N 3.15Å; T1030-H1048 WeakPolarHBondContact CA-NE2 2.97Å; T1030-H1048 PolarHBondContact N-NE2 3.07Å; T1030-H1048 PolarHBondContact O-NE2 2.75Å
1031	F	80.8	Confident	81	Confident	9 Å²	9	24.7 Å²	24.7	4%	0.039	13%	0.127	C	C	.	.			trans	-62.2	118.9	165.3	-171.4	-76	0	0	0	108.7	S578 G579 L686 Y687 W1029 V1038 V1042 I1043 Y1080	S578-F1031 CarbonylContact C-O 3.5Å; G579-F1031 WeakPolarHBondContact CA-O 3.38Å; G579-F1031 PolarHBondContact N-O 3.47Å; L686-F1031 VanDerWaalsContact O-CB 3.29Å; L686-F1031 WeakPolarHBondContact O-CB 3.41Å; L686-F1031 VanDerWaalsContact O-CG 3.27Å; L686-F1031 WeakPolarHBondContact O-CG 3.24Å; Y687-F1031 AromaticContact CD1-CD1 3.74Å; Y687-F1031 HydrophobicContact CD1-CD1 3.74Å; Y687-F1031 AromaticContact CD1-CE1 3.47Å; Y687-F1031 HydrophobicContact CD1-CE1 3.47Å; Y687-F1031 VanDerWaalsContact CD1-CE1 3.47Å; Y687-F1031 HydrophobicContact CD1-CE2 4.34Å; Y687-F1031 HydrophobicContact CD1-CG 4.34Å; Y687-F1031 AromaticContact CD1-CZ 3.81Å; Y687-F1031 HydrophobicContact CD1-CZ 3.81Å; Y687-F1031 HydrophobicContact CE1-CD1 4.1Å; Y687-F1031 HydrophobicContact CE1-CD2 4.24Å; Y687-F1031 AromaticContact CE1-CE1 3.58Å; Y687-F1031 HydrophobicContact CE1-CE1 3.58Å; Y687-F1031 AromaticContact CE1-CE2 3.71Å; Y687-F1031 HydrophobicContact CE1-CE2 3.71Å; Y687-F1031 HydrophobicContact CE1-CG 4.44Å; Y687-F1031 AromaticContact CE1-CZ 3.38Å; Y687-F1031 HydrophobicContact CE1-CZ 3.38Å; W1029-F1031 PolarHBondContact O-N 3.13Å; W1029-F1031 VanDerWaalsContact O-N 3.08Å; F1031-V1038 HydrophobicContact CE1-CG2 4.46Å; F1031-V1038 HydrophobicContact CE2-CG1 3.79Å; F1031-V1038 HydrophobicContact CZ-CB 4.34Å; F1031-V1038 HydrophobicContact CZ-CG1 3.71Å; F1031-V1038 HydrophobicContact CZ-CG2 3.92Å; F1031-V1042 HydrophobicContact CD2-CG1 3.79Å; F1031-V1042 HydrophobicContact CE2-CG1 3.98Å; F1031-V1042 HydrophobicContact CG-CG1 4.35Å; F1031-I1043 HydrophobicContact CE2-CG1 4.22Å; F1031-Y1080 HydrophobicContact CZ-CE1 4.28Å
1032	C	83.2	Confident	81.3	Confident	6 Å²	6	20.9 Å²	20.9	4%	0.041	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	167.5	168.8	66.9	0	0	0	0	111.9	I577 R996 F1018 T1030	I577-C1032 CarbonylContact O-C 3.57Å; I577-C1032 WeakPolarHBondContact O-CA 3.15Å; I577-C1032 WeakPolarHBondContact O-CB 3.34Å; R996-C1032 PolarHBondContact NH1-SG 2.7Å; F1018-C1032 HydrophobicContact CD2-CB 3.82Å; F1018-C1032 HydrophobicContact CE2-CB 3.91Å; F1018-C1032 HydrophobicContact CG-CB 4.17Å; F1018-C1032 HydrophobicContact CZ-CB 4.34Å; T1030-C1032 HydrophobicContact CG2-CB 4.11Å; T1030-C1032 PolarHBondContact O-N 3.22Å; T1030-C1032 VanDerWaalsContact O-N 3.15Å
1033	G	85.2	Confident	81.7	Confident	1 Å²	1	20 Å²	20	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	119.4	174.4	177.3	0	0	0	0	0	112.9	I577	I577-G1033 PolarHBondContact N-O 3.43Å; I577-G1033 PolarHBondContact O-N 2.73Å
1034	T	88.3	Confident	82.7	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.106	C	C	.	.			trans	-80.3	129.4	176.8	-60.2	0	0	0	0	110.9	R574 A576 D997 K999 E1036 Y1037 V1038	R574-T1034 HydrophobicContact CB-CG2 3.57Å; R574-T1034 HydrophobicContact CG-CG2 4.27Å; A576-T1034 WeakPolarHBondContact CB-OG1 3.39Å; D997-T1034 WeakPolarHBondContact OD1-CB 3.43Å; D997-T1034 PolarHBondContact OD1-N 3.28Å; D997-T1034 PolarHBondContact OD1-OG1 2.76Å; K999-T1034 HydrophobicContact CD-CG2 4.22Å; K999-T1034 WeakPolarHBondContact CD-OG1 3.38Å; K999-T1034 PolarHBondContact NZ-OG1 2.82Å; T1034-E1036 PolarHBondContact O-N 3.13Å; T1034-E1036 VanDerWaalsContact O-N 3.12Å; T1034-Y1037 HydrophobicContact CG2-CD2 4.35Å; T1034-Y1037 WeakPolarHBondContact O-CA 3.48Å; T1034-Y1037 WeakPolarHBondContact O-CB 3.38Å; T1034-Y1037 PolarHBondContact O-N 3.11Å; T1034-V1038 WeakPolarHBondContact O-CG2 3.33Å; T1034-V1038 PolarHBondContact O-N 2.87Å
1035	P	89	Confident	83.5	Confident	10 Å²	10	16.6 Å²	16.6	7%	0.065	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-49.2	-44.7	-163.8	-32.6	36.8	0	0	0	116.9	I577 Y1037 V1038 I1079 Y1080 I1083	I577-P1035 HydrophobicContact CD1-CG 3.85Å; I577-P1035 HydrophobicContact CG1-CG 4.4Å; P1035-Y1037 PolarHBondContact O-N 2.92Å; P1035-V1038 PolarHBondContact O-N 3.39Å; P1035-I1079 HydrophobicContact CB-CD1 4.29Å; P1035-Y1080 HydrophobicContact CB-CE1 3.98Å; P1035-Y1080 WeakPolarHBondContact CB-OH 3.41Å; P1035-I1083 WeakPolarHBondContact O-CD1 3.15Å
1036	E	93.6	Very high	84.4	Confident	28 Å²	28	19.4 Å²	19.4	13%	0.131	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-67.9	-19.9	-179.5	-58.9	97.8	123.7	0	0	113.9	R574 T1034 P1069 F1071 I1079	R574-E1036 VanDerWaalsContact CD-OE1 3.27Å; R574-E1036 WeakPolarHBondContact CD-OE1 3.17Å; R574-E1036 IonicContact CZ-OE1 3.89Å; R574-E1036 IonicContact NE-OE1 2.72Å; R574-E1036 PolarHBondContact NE-OE1 2.77Å; T1034-E1036 PolarHBondContact O-N 3.13Å; T1034-E1036 VanDerWaalsContact O-N 3.12Å; E1036-P1069 HydrophobicContact CB-CB 4.03Å; E1036-P1069 HydrophobicContact CB-CG 3.79Å; E1036-P1069 HydrophobicContact CG-CG 3.82Å; E1036-F1071 VanDerWaalsContact CG-O 3.25Å; E1036-F1071 WeakPolarHBondContact CG-O 3.35Å; E1036-I1079 HydrophobicContact CG-CD1 4.15Å; E1036-I1079 HydrophobicContact CG-CG2 4.23Å
1037	Y	95.9	Very high	85	Confident	10 Å²	10	16.2 Å²	16.2	4%	0.039	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-101.3	-10.2	-175.4	-76	-93.8	0	0	0	113.6	L998 K999 P1000 T1034 P1035 A1056 I1059 L1060 E1063	L998-Y1037 WeakPolarHBondContact O-CD1 3.4Å; L998-Y1037 VanDerWaalsContact O-CE1 3.22Å; L998-Y1037 WeakPolarHBondContact O-CE1 3.21Å; K999-Y1037 HydrophobicContact CB-CD2 4.21Å; K999-Y1037 HydrophobicContact CB-CE1 4.35Å; K999-Y1037 HydrophobicContact CB-CE2 3.95Å; P1000-Y1037 VanDerWaalsContact CD-OH 3.25Å; P1000-Y1037 WeakPolarHBondContact CD-OH 3.39Å; T1034-Y1037 HydrophobicContact CG2-CD2 4.35Å; T1034-Y1037 WeakPolarHBondContact O-CA 3.48Å; T1034-Y1037 WeakPolarHBondContact O-CB 3.38Å; T1034-Y1037 PolarHBondContact O-N 3.11Å; P1035-Y1037 PolarHBondContact O-N 2.92Å; Y1037-A1056 HydrophobicContact CD1-CB 4.18Å; Y1037-I1059 HydrophobicContact CD1-CB 3.58Å; Y1037-I1059 HydrophobicContact CD1-CG1 4.36Å; Y1037-I1059 HydrophobicContact CD1-CG2 3.45Å; Y1037-I1059 VanDerWaalsContact CD1-CG2 3.45Å; Y1037-I1059 HydrophobicContact CD2-CG2 4.05Å; Y1037-I1059 HydrophobicContact CE1-CB 3.62Å; Y1037-I1059 HydrophobicContact CE1-CG2 3.36Å; Y1037-I1059 HydrophobicContact CE2-CG2 3.95Å; Y1037-I1059 HydrophobicContact CG-CB 4.31Å; Y1037-I1059 HydrophobicContact CG-CG2 3.81Å; Y1037-L1060 HydrophobicContact CE1-CB 4.14Å; Y1037-E1063 PolarHBondContact OH-OE2 2.78Å
1038	V	93.1	Very high	85.4	Confident	6 Å²	6	14.7 Å²	14.7	4%	0.036	7%	0.071	C	C	.	.			trans	-68.1	134.3	-178.1	-174.8	0	0	0	0	111.3	F1031 T1034 P1035 V1042 I1043 W1055 Y1080	F1031-V1038 HydrophobicContact CE1-CG2 4.46Å; F1031-V1038 HydrophobicContact CE2-CG1 3.79Å; F1031-V1038 HydrophobicContact CZ-CB 4.34Å; F1031-V1038 HydrophobicContact CZ-CG1 3.71Å; F1031-V1038 HydrophobicContact CZ-CG2 3.92Å; T1034-V1038 WeakPolarHBondContact O-CG2 3.33Å; T1034-V1038 PolarHBondContact O-N 2.87Å; P1035-V1038 PolarHBondContact O-N 3.39Å; V1038-V1042 HydrophobicContact CG1-CB 3.61Å; V1038-V1042 HydrophobicContact CG1-CG1 3.8Å; V1038-V1042 HydrophobicContact CG1-CG2 4.31Å; V1038-I1043 HydrophobicContact CB-CG1 4.45Å; V1038-I1043 HydrophobicContact CG1-CD1 4.41Å; V1038-I1043 HydrophobicContact CG1-CG1 3.79Å; V1038-W1055 PolarHBondContact O-NE1 3.38Å; V1038-Y1080 HydrophobicContact CB-CE1 4.4Å; V1038-Y1080 HydrophobicContact CG2-CE1 4.37Å
1039	A	93.9	Very high	85.7	Confident	1 Å²	1	15.2 Å²	15.2	1%	0.008	7%	0.074	C	C	.	.			trans	-81.6	150.7	179.4	0	0	0	0	0	113.1	E1041 V1042 I1043 V1052 W1055	A1039-E1041 VanDerWaalsContact C-N 3.28Å; A1039-E1041 VanDerWaalsContact CB-OE2 3.28Å; A1039-E1041 WeakPolarHBondContact CB-OE2 3.26Å; A1039-E1041 PolarHBondContact O-N 3.09Å; A1039-E1041 VanDerWaalsContact O-N 3.14Å; A1039-V1042 HydrophobicContact CB-CG2 4.23Å; A1039-V1042 WeakPolarHBondContact O-CB 3.3Å; A1039-V1042 PolarHBondContact O-N 3.19Å; A1039-I1043 PolarHBondContact O-N 2.81Å; A1039-V1052 HydrophobicContact CB-CB 4.15Å; A1039-V1052 HydrophobicContact CB-CG1 3.98Å; A1039-W1055 HydrophobicContact CB-CB 3.88Å; A1039-W1055 HydrophobicContact CB-CD2 4.15Å; A1039-W1055 HydrophobicContact CB-CG 3.66Å
1040	P	91.9	Very high	85.9	Confident	9 Å²	9	14.6 Å²	14.6	6%	0.058	7%	0.072	C	C	.	.	H	α-helix	trans	-53.2	-36.5	-175.4	-29	34.7	0	0	0	115.4	V1042 I1043 L1044 W1055 I1083 L1084	P1040-V1042 VanDerWaalsContact C-N 3.32Å; P1040-V1042 PolarHBondContact O-N 3.11Å; P1040-I1043 PolarHBondContact O-N 3.01Å; P1040-L1044 WeakPolarHBondContact O-CB 3.33Å; P1040-L1044 VanDerWaalsContact O-CG 3.26Å; P1040-L1044 WeakPolarHBondContact O-CG 3.46Å; P1040-L1044 PolarHBondContact O-N 2.95Å; P1040-W1055 HydrophobicContact CG-CE3 4.2Å; P1040-W1055 HydrophobicContact CG-CH2 3.55Å; P1040-W1055 HydrophobicContact CG-CZ2 4.01Å; P1040-W1055 HydrophobicContact CG-CZ3 3.65Å; P1040-I1083 HydrophobicContact CB-CG2 4.49Å; P1040-I1083 HydrophobicContact CG-CG2 3.82Å; P1040-L1084 HydrophobicContact CB-CD2 4.21Å
1041	E	88.9	Confident	86.6	Confident	9 Å²	9	13.9 Å²	13.9	4%	0.042	7%	0.068	C	C	.	.	H	α-helix	trans	-72.4	-22.6	179.8	71.7	-84.2	-151.7	0	0	113.9	A1039 N1045 K1046 H1048 V1052 P1112 R1115	A1039-E1041 VanDerWaalsContact C-N 3.28Å; A1039-E1041 VanDerWaalsContact CB-OE2 3.28Å; A1039-E1041 WeakPolarHBondContact CB-OE2 3.26Å; A1039-E1041 PolarHBondContact O-N 3.09Å; A1039-E1041 VanDerWaalsContact O-N 3.14Å; E1041-N1045 PolarHBondContact O-N 3.2Å; E1041-K1046 HydrophobicContact CB-CB 4.33Å; E1041-K1046 PolarHBondContact O-N 2.92Å; E1041-H1048 HydrophobicContact CG-CB 3.89Å; E1041-V1052 WeakPolarHBondContact OE1-CG1 3.48Å; E1041-P1112 HydrophobicContact CB-CG 4.09Å; E1041-P1112 VanDerWaalsContact CD-CG 3.47Å; E1041-P1112 HydrophobicContact CG-CG 3.86Å; E1041-P1112 WeakPolarHBondContact OE1-CG 3.43Å; E1041-R1115 IonicContact OE1-CZ 3.81Å; E1041-R1115 IonicContact OE1-NH1 2.9Å; E1041-R1115 PolarHBondContact OE1-NH1 2.93Å; E1041-R1115 IonicContact OE1-NH2 3.73Å; E1041-R1115 PolarHBondContact OE1-NH2 3.12Å; E1041-R1115 IonicContact OE2-CZ 3.14Å; E1041-R1115 IonicContact OE2-NH1 2.7Å; E1041-R1115 IonicContact OE2-NH2 2.81Å; E1041-R1115 PolarHBondContact OE2-NH2 2.96Å
1042	V	88.9	Confident	87.3	Confident	7 Å²	7	14 Å²	14	4%	0.042	7%	0.069	C	C	.	.	H	α-helix	trans	-75.6	-47.6	173.4	-171.8	0	0	0	0	108.8	F1031 V1038 A1039 P1040 L1044 N1045 H1048 V1052	F1031-V1042 HydrophobicContact CD2-CG1 3.79Å; F1031-V1042 HydrophobicContact CE2-CG1 3.98Å; F1031-V1042 HydrophobicContact CG-CG1 4.35Å; V1038-V1042 HydrophobicContact CG1-CB 3.61Å; V1038-V1042 HydrophobicContact CG1-CG1 3.8Å; V1038-V1042 HydrophobicContact CG1-CG2 4.31Å; A1039-V1042 HydrophobicContact CB-CG2 4.23Å; A1039-V1042 WeakPolarHBondContact O-CB 3.3Å; A1039-V1042 PolarHBondContact O-N 3.19Å; P1040-V1042 VanDerWaalsContact C-N 3.32Å; P1040-V1042 PolarHBondContact O-N 3.11Å; V1042-L1044 PolarHBondContact O-N 3.5Å; V1042-N1045 PolarHBondContact O-N 2.97Å; V1042-H1048 HydrophobicContact CG2-CB 3.91Å; V1042-V1052 HydrophobicContact CG2-CG1 3.7Å
1043	I	84.5	Confident	87.9	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-56.2	-50.7	173.7	-61.2	164.7	0	0	0	110.1	F617 F1031 V1038 A1039 P1040 N1045 Y1080 I1083 L1084	F617-I1043 HydrophobicContact CD2-CG2 4.35Å; F617-I1043 HydrophobicContact CE2-CG2 4.04Å; F617-I1043 WeakPolarHBondContact CE2-O 3.34Å; F617-I1043 WeakPolarHBondContact CZ-O 3.14Å; F1031-I1043 HydrophobicContact CE2-CG1 4.22Å; V1038-I1043 HydrophobicContact CB-CG1 4.45Å; V1038-I1043 HydrophobicContact CG1-CD1 4.41Å; V1038-I1043 HydrophobicContact CG1-CG1 3.79Å; A1039-I1043 PolarHBondContact O-N 2.81Å; P1040-I1043 PolarHBondContact O-N 3.01Å; I1043-N1045 PolarHBondContact O-N 2.97Å; I1043-Y1080 HydrophobicContact CD1-CD1 3.63Å; I1043-Y1080 HydrophobicContact CD1-CG 4.23Å; I1043-Y1080 HydrophobicContact CG1-CD1 3.88Å; I1043-Y1080 HydrophobicContact CG1-CE1 4.5Å; I1043-Y1080 HydrophobicContact CG1-CG 4.42Å; I1043-I1083 HydrophobicContact CD1-CB 3.91Å; I1043-I1083 HydrophobicContact CD1-CD1 4.08Å; I1043-I1083 HydrophobicContact CD1-CG2 3.45Å; I1043-I1083 VanDerWaalsContact CD1-CG2 3.45Å; I1043-L1084 HydrophobicContact CB-CD2 4.34Å; I1043-L1084 HydrophobicContact CG2-CD1 4.03Å; I1043-L1084 HydrophobicContact CG2-CD2 4.09Å; I1043-L1084 HydrophobicContact CG2-CG 4.19Å
1044	L	80.8	Confident	88.5	Confident	17 Å²	17	13.7 Å²	13.7	9%	0.089	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	2.7	178.8	-62.4	178.9	0	0	0	114.3	F617 H620 P1040 V1042 K1046 L1084	F617-L1044 HydrophobicContact CD2-CD2 4.44Å; F617-L1044 HydrophobicContact CE2-CD2 3.89Å; H620-L1044 HydrophobicContact CB-CD1 4.48Å; H620-L1044 HydrophobicContact CB-CD2 3.59Å; P1040-L1044 WeakPolarHBondContact O-CB 3.33Å; P1040-L1044 VanDerWaalsContact O-CG 3.26Å; P1040-L1044 WeakPolarHBondContact O-CG 3.46Å; P1040-L1044 PolarHBondContact O-N 2.95Å; V1042-L1044 PolarHBondContact O-N 3.5Å; L1044-K1046 HydrophobicContact CB-CD 3.94Å; L1044-K1046 HydrophobicContact CB-CG 3.94Å; L1044-K1046 HydrophobicContact CD1-CD 4.17Å; L1044-K1046 PolarHBondContact O-N 3.31Å; L1044-K1046 VanDerWaalsContact O-N 3.14Å; L1044-L1084 HydrophobicContact CD1-CD2 4Å; L1044-L1084 HydrophobicContact CD2-CD1 4.03Å; L1044-L1084 HydrophobicContact CD2-CD2 3.84Å; L1044-L1084 HydrophobicContact CG-CD2 3.68Å
1045	N	76.6	Confident	88.9	Confident	13 Å²	13	13.7 Å²	13.7	7%	0.07	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	40.4	-177.1	-161.3	2.5	0	0	0	114.4	M715 W1029 E1041 V1042 I1043 G1047	M715-N1045 HydrophobicContact CB-CB 4.32Å; M715-N1045 HydrophobicContact CG-CB 4.24Å; W1029-N1045 PolarHBondContact O-OD1 3.23Å; E1041-N1045 PolarHBondContact O-N 3.2Å; V1042-N1045 PolarHBondContact O-N 2.97Å; I1043-N1045 PolarHBondContact O-N 2.97Å; N1045-G1047 PolarHBondContact O-N 3.28Å
1046	K	74	Confident	89.4	Confident	95 Å²	95	13.5 Å²	13.5	41%	0.413	7%	0.066	S	C	.	.	S	Bend	trans	-83.6	10.1	-178.9	-70.5	178.1	175.9	174.7	0	113.3	K1027 E1041 L1044	K1027-K1046 PolarHBondContact NZ-O 3.28Å; E1041-K1046 HydrophobicContact CB-CB 4.33Å; E1041-K1046 PolarHBondContact O-N 2.92Å; L1044-K1046 HydrophobicContact CB-CD 3.94Å; L1044-K1046 HydrophobicContact CB-CG 3.94Å; L1044-K1046 HydrophobicContact CD1-CD 4.17Å; L1044-K1046 PolarHBondContact O-N 3.31Å; L1044-K1046 VanDerWaalsContact O-N 3.14Å
1047	G	76.6	Confident	89.6	Confident	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.06	C	C	.	.			trans	68.2	135.1	-167.5	0	0	0	0	0	111.8	K1027 T1028 W1029 N1045	K1027-G1047 WeakPolarHBondContact CE-O 3.47Å; K1027-G1047 PolarHBondContact NZ-O 3.14Å; T1028-G1047 CarbonylContact O-C 3.54Å; T1028-G1047 VanDerWaalsContact O-CA 3.32Å; T1028-G1047 WeakPolarHBondContact O-CA 3.15Å; W1029-G1047 VanDerWaalsContact NE1-CA 3.29Å; N1045-G1047 PolarHBondContact O-N 3.28Å
1048	H	86.4	Confident	89.7	Confident	3 Å²	3	11.7 Å²	11.7	1%	0.014	6%	0.058	C	C	.	.	B	Isolated β-bridge	trans	-127.7	159.3	-174.4	58.2	-78.7	0	0	0	112.1	K1027 T1028 T1030 E1041 V1042 V1052	K1027-H1048 CarbonylContact C-O 3.54Å; K1027-H1048 VanDerWaalsContact CA-O 3.27Å; K1027-H1048 WeakPolarHBondContact CA-O 3.43Å; T1028-H1048 PolarHBondContact N-O 3.05Å; T1028-H1048 PolarHBondContact O-CE1 3.01Å; T1028-H1048 PolarHBondContact O-N 3.02Å; T1028-H1048 PolarHBondContact O-ND1 3.15Å; T1030-H1048 WeakPolarHBondContact CA-NE2 2.97Å; T1030-H1048 PolarHBondContact N-NE2 3.07Å; T1030-H1048 PolarHBondContact O-NE2 2.75Å; E1041-H1048 HydrophobicContact CG-CB 3.89Å; V1042-H1048 HydrophobicContact CG2-CB 3.91Å; H1048-V1052 HydrophobicContact CB-CG1 3.64Å
1049	D	86.4	Confident	90	Very high	23 Å²	23	11.4 Å²	11.4	12%	0.123	6%	0.056	C	C	.	.			trans	-137	-164.7	-178.3	58.7	43.4	0	0	0	110.1	I1022 K1027 T1051 V1052	I1022-D1049 HydrophobicContact CD1-CB 3.9Å; K1027-D1049 HydrophobicContact CG-CB 4.49Å; D1049-T1051 PolarHBondContact O-N 3.34Å; D1049-T1051 VanDerWaalsContact OD1-CB 3.29Å; D1049-T1051 WeakPolarHBondContact OD1-CB 3.32Å; D1049-T1051 VanDerWaalsContact OD1-CG2 3.25Å; D1049-T1051 WeakPolarHBondContact OD1-CG2 3.43Å; D1049-T1051 PolarHBondContact OD1-N 3.26Å; D1049-T1051 PolarHBondContact OD1-OG1 3.47Å; D1049-V1052 WeakPolarHBondContact O-CG2 2.93Å; D1049-V1052 PolarHBondContact O-N 2.78Å
1050	F	88.7	Confident	90.2	Very high	39 Å²	39	11.4 Å²	11.4	17%	0.171	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-18.9	-180	67.4	-86.5	0	0	0	114.9	H989 V1052 D1053 F1054	H989-F1050 HydrophobicContact CB-CD2 4.41Å; H989-F1050 PolarHBondContact CE1-O 2.78Å; H989-F1050 VanDerWaalsContact CE1-O 3.26Å; H989-F1050 AromaticContact ND1-CD2 3.63Å; H989-F1050 PolarHBondContact NE2-O 2.91Å; F1050-V1052 PolarHBondContact O-N 3.4Å; F1050-D1053 PolarHBondContact O-N 2.99Å; F1050-F1054 AromaticContact CD2-CE2 3.78Å; F1050-F1054 HydrophobicContact CD2-CE2 3.78Å; F1050-F1054 HydrophobicContact CD2-CZ 4.18Å; F1050-F1054 AromaticContact CE2-CE2 3.85Å; F1050-F1054 HydrophobicContact CE2-CE2 3.85Å; F1050-F1054 HydrophobicContact CE2-CZ 4.39Å
1051	T	92	Very high	90.5	Very high	5 Å²	5	11 Å²	11	3%	0.031	5%	0.053	C	C	.	.	H	α-helix	trans	-70.5	-10	-179.5	61.3	0	0	0	0	114.8	D1049 D1053 F1054 W1055 P1112 R1115 A1118	D1049-T1051 PolarHBondContact O-N 3.34Å; D1049-T1051 VanDerWaalsContact OD1-CB 3.29Å; D1049-T1051 WeakPolarHBondContact OD1-CB 3.32Å; D1049-T1051 VanDerWaalsContact OD1-CG2 3.25Å; D1049-T1051 WeakPolarHBondContact OD1-CG2 3.43Å; D1049-T1051 PolarHBondContact OD1-N 3.26Å; D1049-T1051 PolarHBondContact OD1-OG1 3.47Å; T1051-D1053 VanDerWaalsContact C-N 3.32Å; T1051-F1054 HydrophobicContact CG2-CD2 4.3Å; T1051-F1054 HydrophobicContact CG2-CE2 4.4Å; T1051-F1054 PolarHBondContact O-N 2.93Å; T1051-W1055 PolarHBondContact O-N 3.22Å; T1051-P1112 VanDerWaalsContact OG1-CB 3.3Å; T1051-P1112 WeakPolarHBondContact OG1-CB 3.06Å; T1051-R1115 WeakPolarHBondContact O-CD 3.27Å; T1051-R1115 PolarHBondContact O-NH1 3.02Å; T1051-A1118 HydrophobicContact CG2-CB 3.4Å
1052	V	95.4	Very high	90.9	Very high	11 Å²	11	11 Å²	11	7%	0.067	5%	0.053	C	C	.	.	H	α-helix	trans	-68	-32.1	169.6	-57.2	0	0	0	0	112.2	V994 R996 A1039 E1041 V1042 H1048 D1049 F1050 F1054 W1055 A1056	V994-V1052 HydrophobicContact CG2-CG2 3.57Å; R996-V1052 HydrophobicContact CG-CG2 4.1Å; A1039-V1052 HydrophobicContact CB-CB 4.15Å; A1039-V1052 HydrophobicContact CB-CG1 3.98Å; E1041-V1052 WeakPolarHBondContact OE1-CG1 3.48Å; V1042-V1052 HydrophobicContact CG2-CG1 3.7Å; H1048-V1052 HydrophobicContact CB-CG1 3.64Å; D1049-V1052 WeakPolarHBondContact O-CG2 2.93Å; D1049-V1052 PolarHBondContact O-N 2.78Å; F1050-V1052 PolarHBondContact O-N 3.4Å; V1052-F1054 VanDerWaalsContact C-N 3.25Å; V1052-F1054 PolarHBondContact O-N 3.12Å; V1052-W1055 WeakPolarHBondContact O-CB 3.41Å; V1052-W1055 PolarHBondContact O-N 2.8Å; V1052-W1055 VanDerWaalsContact O-N 3.11Å; V1052-A1056 PolarHBondContact O-N 2.96Å
1053	D	96.7	Very high	91.3	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-69.5	-27.8	-179.4	-59.1	-30.4	0	0	0	110.9	L985 H989 V994 Y995 R996 F1050 T1051 L1057	L985-D1053 HydrophobicContact CD1-CB 3.97Å; L985-D1053 HydrophobicContact CD2-CB 3.71Å; L985-D1053 HydrophobicContact CG-CB 4.47Å; H989-D1053 IonicContact CD2-OD2 3.93Å; H989-D1053 IonicContact CE1-OD2 2.77Å; H989-D1053 IonicContact NE2-OD2 2.73Å; H989-D1053 PolarHBondContact NE2-OD2 3.16Å; V994-D1053 WeakPolarHBondContact CG2-OD2 3.35Å; Y995-D1053 PolarHBondContact N-OD1 2.84Å; Y995-D1053 PolarHBondContact N-OD2 3.26Å; R996-D1053 PolarHBondContact N-OD1 3.05Å; F1050-D1053 PolarHBondContact O-N 2.99Å; T1051-D1053 VanDerWaalsContact C-N 3.32Å; D1053-L1057 WeakPolarHBondContact O-CB 3.29Å; D1053-L1057 PolarHBondContact O-N 2.9Å
1054	F	96.6	Very high	91.9	Very high	2 Å²	2	11 Å²	11	1%	0.009	5%	0.053	C	C	.	.	H	α-helix	trans	-70.6	-35.9	170.8	-57.7	-44	0	0	0	112.7	H989 F1050 T1051 V1052 G1058 L1107 G1117 I1123	H989-F1054 AromaticContact CE1-CE1 3.64Å; H989-F1054 AromaticContact CE1-CZ 3.56Å; H989-F1054 AromaticContact ND1-CE1 3.65Å; H989-F1054 AromaticContact ND1-CZ 3.25Å; H989-F1054 VanDerWaalsContact ND1-CZ 3.25Å; H989-F1054 WeakPolarHBondContact ND1-CZ 3.35Å; F1050-F1054 AromaticContact CD2-CE2 3.78Å; F1050-F1054 HydrophobicContact CD2-CE2 3.78Å; F1050-F1054 HydrophobicContact CD2-CZ 4.18Å; F1050-F1054 AromaticContact CE2-CE2 3.85Å; F1050-F1054 HydrophobicContact CE2-CE2 3.85Å; F1050-F1054 HydrophobicContact CE2-CZ 4.39Å; T1051-F1054 HydrophobicContact CG2-CD2 4.3Å; T1051-F1054 HydrophobicContact CG2-CE2 4.4Å; T1051-F1054 PolarHBondContact O-N 2.93Å; V1052-F1054 VanDerWaalsContact C-N 3.25Å; V1052-F1054 PolarHBondContact O-N 3.12Å; F1054-G1058 PolarHBondContact O-N 3.33Å; F1054-L1107 HydrophobicContact CB-CD2 4.06Å; F1054-L1107 WeakPolarHBondContact O-CB 3.45Å; F1054-G1117 VanDerWaalsContact CE2-O 3.26Å; F1054-G1117 WeakPolarHBondContact CE2-O 3.48Å; F1054-G1117 WeakPolarHBondContact CZ-O 3.46Å; F1054-I1123 HydrophobicContact CE1-CB 4.25Å; F1054-I1123 HydrophobicContact CE1-CD1 3.76Å; F1054-I1123 HydrophobicContact CE1-CG1 3.8Å; F1054-I1123 HydrophobicContact CZ-CB 4.35Å; F1054-I1123 HydrophobicContact CZ-CG1 4.39Å
1055	W	97.8	Very high	92.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-61.9	-52.1	170.9	173	-83.2	0	0	0	109.8	V1038 A1039 P1040 T1051 V1052 L1057 G1058 I1059 F1071 I1083 C1108	V1038-W1055 PolarHBondContact O-NE1 3.38Å; A1039-W1055 HydrophobicContact CB-CB 3.88Å; A1039-W1055 HydrophobicContact CB-CD2 4.15Å; A1039-W1055 HydrophobicContact CB-CG 3.66Å; P1040-W1055 HydrophobicContact CG-CE3 4.2Å; P1040-W1055 HydrophobicContact CG-CH2 3.55Å; P1040-W1055 HydrophobicContact CG-CZ2 4.01Å; P1040-W1055 HydrophobicContact CG-CZ3 3.65Å; T1051-W1055 PolarHBondContact O-N 3.22Å; V1052-W1055 WeakPolarHBondContact O-CB 3.41Å; V1052-W1055 PolarHBondContact O-N 2.8Å; V1052-W1055 VanDerWaalsContact O-N 3.11Å; W1055-L1057 VanDerWaalsContact C-N 3.29Å; W1055-L1057 PolarHBondContact O-N 3.03Å; W1055-G1058 WeakPolarHBondContact O-CA 3.46Å; W1055-G1058 PolarHBondContact O-N 3.22Å; W1055-I1059 HydrophobicContact CZ2-CD1 4.4Å; W1055-I1059 WeakPolarHBondContact O-CG1 3.4Å; W1055-I1059 PolarHBondContact O-N 3.15Å; W1055-I1059 VanDerWaalsContact O-N 3.08Å; W1055-F1071 HydrophobicContact CH2-CE2 4.01Å; W1055-F1071 HydrophobicContact CH2-CZ 4.14Å; W1055-F1071 HydrophobicContact CZ2-CD2 4.26Å; W1055-F1071 AromaticContact CZ2-CE2 3.43Å; W1055-F1071 HydrophobicContact CZ2-CE2 3.43Å; W1055-F1071 VanDerWaalsContact CZ2-CE2 3.43Å; W1055-F1071 HydrophobicContact CZ2-CZ 4.01Å; W1055-I1083 HydrophobicContact CH2-CG2 4.28Å; W1055-I1083 HydrophobicContact CZ2-CG2 3.75Å; W1055-C1108 HydrophobicContact CD2-CB 4.28Å; W1055-C1108 VanDerWaalsContact CE3-CA 3.45Å; W1055-C1108 HydrophobicContact CE3-CB 3.85Å; W1055-C1108 HydrophobicContact CH2-CB 4.29Å; W1055-C1108 HydrophobicContact CZ3-CB 3.85Å; W1055-C1108 WeakPolarHBondContact CZ3-O 3.47Å
1056	A	98.1	Very high	93.6	Very high	5 Å²	5	10.8 Å²	10.8	4%	0.041	5%	0.053	C	C	.	.	H	α-helix	trans	-60.6	-33.8	179.2	0	0	0	0	0	113.1	L998 Y1037 V1052 G1058 I1059 L1060	L998-A1056 HydrophobicContact CB-CB 3.95Å; L998-A1056 HydrophobicContact CD2-CB 4.3Å; Y1037-A1056 HydrophobicContact CD1-CB 4.18Å; V1052-A1056 PolarHBondContact O-N 2.96Å; A1056-G1058 VanDerWaalsContact C-N 3.33Å; A1056-G1058 PolarHBondContact O-N 3.32Å; A1056-I1059 WeakPolarHBondContact O-CB 3.31Å; A1056-I1059 PolarHBondContact O-N 2.87Å; A1056-L1060 WeakPolarHBondContact O-CB 3.3Å; A1056-L1060 PolarHBondContact O-N 3.32Å
1057	L	98.4	Very high	94.6	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-62.3	-38.5	171.1	177.5	64.2	0	0	0	112.1	V981 V982 L998 D1053 W1055 L1060 M1061 L1107 V1126	V981-L1057 HydrophobicContact CB-CD1 4.42Å; V981-L1057 HydrophobicContact CG1-CD1 3.98Å; V982-L1057 HydrophobicContact CG2-CD1 4.42Å; V982-L1057 HydrophobicContact CG2-CD2 3.58Å; L998-L1057 HydrophobicContact CD2-CB 4.13Å; D1053-L1057 WeakPolarHBondContact O-CB 3.29Å; D1053-L1057 PolarHBondContact O-N 2.9Å; W1055-L1057 VanDerWaalsContact C-N 3.29Å; W1055-L1057 PolarHBondContact O-N 3.03Å; L1057-L1060 HydrophobicContact CD1-CD2 4.43Å; L1057-L1060 PolarHBondContact O-N 2.92Å; L1057-M1061 WeakPolarHBondContact O-CB 3.16Å; L1057-M1061 WeakPolarHBondContact O-CG 3.5Å; L1057-M1061 PolarHBondContact O-N 3Å; L1057-L1107 HydrophobicContact CD2-CD1 4.15Å; L1057-L1107 HydrophobicContact CD2-CD2 4.22Å; L1057-L1107 HydrophobicContact CG-CD1 4.04Å; L1057-V1126 HydrophobicContact CD2-CG1 4.28Å
1058	G	98.3	Very high	95.5	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-68	-35.9	174.3	0	0	0	0	0	113.2	F1054 W1055 A1056 F1062	F1054-G1058 PolarHBondContact O-N 3.33Å; W1055-G1058 WeakPolarHBondContact O-CA 3.46Å; W1055-G1058 PolarHBondContact O-N 3.22Å; A1056-G1058 VanDerWaalsContact C-N 3.33Å; A1056-G1058 PolarHBondContact O-N 3.32Å; G1058-F1062 PolarHBondContact O-N 2.93Å
1059	I	98.3	Very high	95.9	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-64.6	-47.5	171.3	-52.5	-50.4	0	0	0	110.2	Y1037 W1055 A1056 M1061 F1062 E1063 P1069 P1070 F1071	Y1037-I1059 HydrophobicContact CD1-CB 3.58Å; Y1037-I1059 HydrophobicContact CD1-CG1 4.36Å; Y1037-I1059 HydrophobicContact CD1-CG2 3.45Å; Y1037-I1059 VanDerWaalsContact CD1-CG2 3.45Å; Y1037-I1059 HydrophobicContact CD2-CG2 4.05Å; Y1037-I1059 HydrophobicContact CE1-CB 3.62Å; Y1037-I1059 HydrophobicContact CE1-CG2 3.36Å; Y1037-I1059 HydrophobicContact CE2-CG2 3.95Å; Y1037-I1059 HydrophobicContact CG-CB 4.31Å; Y1037-I1059 HydrophobicContact CG-CG2 3.81Å; W1055-I1059 HydrophobicContact CZ2-CD1 4.4Å; W1055-I1059 WeakPolarHBondContact O-CG1 3.4Å; W1055-I1059 PolarHBondContact O-N 3.15Å; W1055-I1059 VanDerWaalsContact O-N 3.08Å; A1056-I1059 WeakPolarHBondContact O-CB 3.31Å; A1056-I1059 PolarHBondContact O-N 2.87Å; I1059-M1061 PolarHBondContact O-N 2.96Å; I1059-F1062 PolarHBondContact O-N 3.5Å; I1059-E1063 PolarHBondContact O-N 2.89Å; I1059-P1069 HydrophobicContact CG2-CB 3.88Å; I1059-P1070 HydrophobicContact CD1-CG 3.79Å; I1059-F1071 HydrophobicContact CD1-CD2 3.74Å; I1059-F1071 HydrophobicContact CD1-CE2 3.59Å
1060	L	98.3	Very high	96.4	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-57.7	-48.9	177.3	177.7	66.9	0	0	0	111.4	V981 L998 P1000 L1003 Y1037 A1056 L1057 F1062 E1063 L1064	V981-L1060 HydrophobicContact CG1-CD2 4.37Å; V981-L1060 HydrophobicContact CG2-CD2 4.06Å; L998-L1060 HydrophobicContact CD1-CD2 4.01Å; L998-L1060 HydrophobicContact CD2-CD2 4.17Å; L998-L1060 HydrophobicContact CG-CD2 4.12Å; P1000-L1060 HydrophobicContact CG-CD1 3.8Å; L1003-L1060 HydrophobicContact CD1-CD1 4Å; L1003-L1060 HydrophobicContact CD1-CD2 3.79Å; Y1037-L1060 HydrophobicContact CE1-CB 4.14Å; A1056-L1060 WeakPolarHBondContact O-CB 3.3Å; A1056-L1060 PolarHBondContact O-N 3.32Å; L1057-L1060 HydrophobicContact CD1-CD2 4.43Å; L1057-L1060 PolarHBondContact O-N 2.92Å; L1060-F1062 VanDerWaalsContact C-N 3.31Å; L1060-F1062 PolarHBondContact O-N 3.07Å; L1060-E1063 PolarHBondContact O-N 3.36Å; L1060-L1064 HydrophobicContact CD1-CD1 4.07Å; L1060-L1064 HydrophobicContact CD1-CD2 4.41Å; L1060-L1064 HydrophobicContact CD1-CG 4.05Å; L1060-L1064 HydrophobicContact CD2-CD1 4.45Å; L1060-L1064 HydrophobicContact CG-CD1 3.82Å; L1060-L1064 HydrophobicContact CG-CG 4.24Å; L1060-L1064 WeakPolarHBondContact O-CB 3.43Å; L1060-L1064 VanDerWaalsContact O-CG 3.25Å; L1060-L1064 WeakPolarHBondContact O-CG 3.34Å; L1060-L1064 PolarHBondContact O-N 2.92Å
1061	M	98.3	Very high	96.6	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.005	4%	0.042	C	C	.	.	H	α-helix	trans	-56.5	-43	176.5	-80.2	-176.9	59.9	0	0	112.7	L1057 I1059 L1065 A1100 L1103 I1104 L1107 W1131	L1057-M1061 WeakPolarHBondContact O-CB 3.16Å; L1057-M1061 WeakPolarHBondContact O-CG 3.5Å; L1057-M1061 PolarHBondContact O-N 3Å; I1059-M1061 PolarHBondContact O-N 2.96Å; M1061-L1065 WeakPolarHBondContact O-CB 3.28Å; M1061-L1065 WeakPolarHBondContact O-CD1 3.41Å; M1061-L1065 VanDerWaalsContact O-CG 3.24Å; M1061-L1065 WeakPolarHBondContact O-CG 3.3Å; M1061-L1065 PolarHBondContact O-N 3.03Å; M1061-A1100 HydrophobicContact CE-CB 4.46Å; M1061-L1103 HydrophobicContact CE-CB 4.05Å; M1061-L1103 HydrophobicContact CE-CD2 3.78Å; M1061-L1103 HydrophobicContact CE-CG 3.91Å; M1061-L1103 HydrophobicContact SD-CD2 3.84Å; M1061-L1103 HydrophobicContact SD-CG 3.89Å; M1061-I1104 HydrophobicContact CB-CD1 4.13Å; M1061-I1104 HydrophobicContact CB-CG1 3.86Å; M1061-I1104 HydrophobicContact CE-CD1 4.42Å; M1061-I1104 HydrophobicContact CE-CG1 3.93Å; M1061-I1104 HydrophobicContact SD-CG1 4.43Å; M1061-L1107 HydrophobicContact SD-CD1 3.7Å; M1061-W1131 HydrophobicContact CE-CD2 3.84Å; M1061-W1131 HydrophobicContact CE-CE3 3.52Å; M1061-W1131 HydrophobicContact CE-CH2 3.58Å; M1061-W1131 HydrophobicContact CE-CZ2 3.97Å; M1061-W1131 HydrophobicContact CE-CZ3 3.37Å; M1061-W1131 HydrophobicContact CG-CH2 4.23Å; M1061-W1131 HydrophobicContact CG-CZ3 4.22Å; M1061-W1131 HydrophobicContact SD-CE3 4.24Å; M1061-W1131 HydrophobicContact SD-CH2 4.3Å; M1061-W1131 HydrophobicContact SD-CZ3 3.81Å
1062	F	98.1	Very high	96.5	Very high	9 Å²	9	10.3 Å²	10.3	4%	0.039	6%	0.063	C	C	.	.	H	α-helix	trans	-67.8	-41.2	177.8	-171.8	-73.4	0	0	0	111.5	G1058 I1059 L1060 L1065 T1066 T1068 P1070 I1090 F1092 I1096 I1104	G1058-F1062 PolarHBondContact O-N 2.93Å; I1059-F1062 PolarHBondContact O-N 3.5Å; L1060-F1062 VanDerWaalsContact C-N 3.31Å; L1060-F1062 PolarHBondContact O-N 3.07Å; F1062-L1065 PolarHBondContact O-N 3Å; F1062-T1066 HydrophobicContact CD1-CG2 4.29Å; F1062-T1066 HydrophobicContact CE1-CG2 4.01Å; F1062-T1066 HydrophobicContact CZ-CG2 4.36Å; F1062-T1066 PolarHBondContact O-N 3.3Å; F1062-T1066 PolarHBondContact O-OG1 3.46Å; F1062-T1068 WeakPolarHBondContact CD1-O 3.37Å; F1062-P1070 HydrophobicContact CB-CG 4.2Å; F1062-P1070 HydrophobicContact CD1-CB 3.76Å; F1062-P1070 HydrophobicContact CD1-CG 4.09Å; F1062-P1070 HydrophobicContact CD2-CB 3.93Å; F1062-P1070 HydrophobicContact CD2-CG 4.41Å; F1062-P1070 HydrophobicContact CE1-CB 3.82Å; F1062-P1070 HydrophobicContact CE2-CB 3.97Å; F1062-P1070 HydrophobicContact CG-CB 3.83Å; F1062-P1070 HydrophobicContact CG-CG 3.99Å; F1062-P1070 HydrophobicContact CZ-CB 3.92Å; F1062-I1090 HydrophobicContact CE2-CG2 4.31Å; F1062-I1090 HydrophobicContact CZ-CG2 4.3Å; F1062-F1092 HydrophobicContact CD2-CD1 4.07Å; F1062-F1092 AromaticContact CD2-CE1 3.74Å; F1062-F1092 HydrophobicContact CD2-CE1 3.74Å; F1062-F1092 HydrophobicContact CD2-CZ 4.22Å; F1062-F1092 AromaticContact CE2-CD1 3.89Å; F1062-F1092 HydrophobicContact CE2-CD1 3.89Å; F1062-F1092 AromaticContact CE2-CE1 3.93Å; F1062-F1092 HydrophobicContact CE2-CE1 3.93Å; F1062-F1092 HydrophobicContact CE2-CG 4.27Å; F1062-F1092 HydrophobicContact CE2-CZ 4.3Å; F1062-I1096 HydrophobicContact CD2-CD1 3.58Å; F1062-I1096 HydrophobicContact CE2-CD1 3.55Å; F1062-I1096 HydrophobicContact CG-CD1 4.21Å; F1062-I1096 HydrophobicContact CZ-CD1 4.15Å; F1062-I1104 HydrophobicContact CB-CD1 4.08Å; F1062-I1104 HydrophobicContact CD2-CD1 4.39Å
1063	E	97.4	Very high	96	Very high	6 Å²	6	12.2 Å²	12.2	3%	0.028	8%	0.076	C	C	.	.	H	α-helix	trans	-67.4	-40.5	177.5	177.5	155.3	171.5	0	0	112	R574 L963 P1000 Y1037 I1059 L1060 L1065 T1066 G1067 T1068 P1069	R574-E1063 IonicContact CZ-OE1 2.78Å; R574-E1063 VanDerWaalsContact CZ-OE1 3.24Å; R574-E1063 IonicContact CZ-OE2 3.84Å; R574-E1063 IonicContact NH1-OE1 3.77Å; R574-E1063 PolarHBondContact NH1-OE1 2.99Å; R574-E1063 IonicContact NH1-OE2 2.73Å; R574-E1063 IonicContact NH2-OE1 3.71Å; R574-E1063 PolarHBondContact NH2-OE1 2.85Å; R574-E1063 IonicContact NH2-OE2 2.7Å; R574-E1063 PolarHBondContact NH2-OE2 2.8Å; L963-E1063 HydrophobicContact CD2-CG 3.76Å; P1000-E1063 HydrophobicContact CG-CG 4.31Å; Y1037-E1063 PolarHBondContact OH-OE2 2.78Å; I1059-E1063 PolarHBondContact O-N 2.89Å; L1060-E1063 PolarHBondContact O-N 3.36Å; E1063-L1065 VanDerWaalsContact C-N 3.3Å; E1063-L1065 PolarHBondContact O-N 3.23Å; E1063-T1066 PolarHBondContact O-N 3.09Å; E1063-G1067 WeakPolarHBondContact O-CA 3.32Å; E1063-G1067 PolarHBondContact O-N 3.14Å; E1063-T1068 WeakPolarHBondContact CA-O 3.43Å; E1063-P1069 HydrophobicContact CB-CB 4.45Å; E1063-P1069 WeakPolarHBondContact OE2-CB 3.31Å; E1063-P1069 WeakPolarHBondContact OE2-CD 3.5Å; E1063-P1069 VanDerWaalsContact OE2-CG 3.27Å; E1063-P1069 WeakPolarHBondContact OE2-CG 3.27Å
1064	L	97.6	Very high	95.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.3	-39.5	173.9	-67.2	167.8	0	0	0	111.7	L959 L963 F969 A974 L1060	L959-L1064 HydrophobicContact CD2-CD2 4.06Å; L959-L1064 HydrophobicContact CG-CD2 4.49Å; L963-L1064 HydrophobicContact CD2-CD2 4.14Å; F969-L1064 HydrophobicContact CD2-CB 4.22Å; F969-L1064 HydrophobicContact CD2-CD2 3.54Å; F969-L1064 HydrophobicContact CD2-CG 4.45Å; F969-L1064 HydrophobicContact CE2-CD2 3.53Å; F969-L1064 PolarHBondContact N-O 2.89Å; A974-L1064 HydrophobicContact CB-CB 3.89Å; L1060-L1064 HydrophobicContact CD1-CD1 4.07Å; L1060-L1064 HydrophobicContact CD1-CD2 4.41Å; L1060-L1064 HydrophobicContact CD1-CG 4.05Å; L1060-L1064 HydrophobicContact CD2-CD1 4.45Å; L1060-L1064 HydrophobicContact CG-CD1 3.82Å; L1060-L1064 HydrophobicContact CG-CG 4.24Å; L1060-L1064 WeakPolarHBondContact O-CB 3.43Å; L1060-L1064 VanDerWaalsContact O-CG 3.25Å; L1060-L1064 WeakPolarHBondContact O-CG 3.34Å; L1060-L1064 PolarHBondContact O-N 2.92Å
1065	L	97.5	Very high	94.1	Very high	8 Å²	8	20.1 Å²	20.1	4%	0.042	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.4	-176.3	-67.2	170.6	0	0	0	115.2	A974 M1061 F1062 E1063 I1096 A1100 W1131	A974-L1065 HydrophobicContact CB-CD2 3.5Å; A974-L1065 HydrophobicContact CB-CG 3.86Å; M1061-L1065 WeakPolarHBondContact O-CB 3.28Å; M1061-L1065 WeakPolarHBondContact O-CD1 3.41Å; M1061-L1065 VanDerWaalsContact O-CG 3.24Å; M1061-L1065 WeakPolarHBondContact O-CG 3.3Å; M1061-L1065 PolarHBondContact O-N 3.03Å; F1062-L1065 PolarHBondContact O-N 3Å; E1063-L1065 VanDerWaalsContact C-N 3.3Å; E1063-L1065 PolarHBondContact O-N 3.23Å; L1065-I1096 HydrophobicContact CB-CG1 4.19Å; L1065-I1096 HydrophobicContact CD1-CG2 4.07Å; L1065-A1100 HydrophobicContact CD1-CB 3.73Å; L1065-W1131 HydrophobicContact CD1-CZ2 4.41Å
1066	T	95.8	Very high	93	Very high	19 Å²	19	22.8 Å²	22.8	12%	0.117	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.6	-12.3	-179.3	65.2	0	0	0	0	114.8	F1062 E1063 T1068 P1093 I1096	F1062-T1066 HydrophobicContact CD1-CG2 4.29Å; F1062-T1066 HydrophobicContact CE1-CG2 4.01Å; F1062-T1066 HydrophobicContact CZ-CG2 4.36Å; F1062-T1066 PolarHBondContact O-N 3.3Å; F1062-T1066 PolarHBondContact O-OG1 3.46Å; E1063-T1066 PolarHBondContact O-N 3.09Å; T1066-T1068 VanDerWaalsContact C-N 3.27Å; T1066-T1068 PolarHBondContact O-N 3.33Å; T1066-T1068 PolarHBondContact OG1-N 2.98Å; T1066-T1068 PolarHBondContact OG1-O 3.29Å; T1066-P1093 HydrophobicContact CG2-CG 4.08Å; T1066-I1096 HydrophobicContact CG2-CD1 3.75Å; T1066-I1096 HydrophobicContact CG2-CG1 3.99Å
1067	G	94.6	Very high	91.8	Very high	3 Å²	3	23.8 Å²	23.8	3%	0.031	15%	0.149	C	C	.	.	S	Bend	trans	70	14.6	-171.8	0	0	0	0	0	115.1	R571 E1063	R571-G1067 PolarHBondContact NE-O 3.22Å; R571-G1067 VanDerWaalsContact NE-O 3.08Å; R571-G1067 PolarHBondContact NH2-O 3.06Å; R571-G1067 VanDerWaalsContact NH2-O 3.13Å; E1063-G1067 WeakPolarHBondContact O-CA 3.32Å; E1063-G1067 PolarHBondContact O-N 3.14Å
1068	T	93.9	Very high	91	Very high	59 Å²	59	28.9 Å²	28.9	36%	0.362	17%	0.172	S	C	.	.	S	Bend	trans	-151.7	143.9	176.3	50.2	0	0	0	0	111.2	F1062 E1063 T1066	F1062-T1068 WeakPolarHBondContact CD1-O 3.37Å; E1063-T1068 WeakPolarHBondContact CA-O 3.43Å; T1066-T1068 VanDerWaalsContact C-N 3.27Å; T1066-T1068 PolarHBondContact O-N 3.33Å; T1066-T1068 PolarHBondContact OG1-N 2.98Å; T1066-T1068 PolarHBondContact OG1-O 3.29Å
1069	P	95.6	Very high	90.5	Very high	5 Å²	5	29.2 Å²	29.2	3%	0.032	17%	0.173	C	C	.	.			trans	-73.4	157.9	178.5	26.9	-25.6	0	0	0	111	R574 E1036 I1059 E1063 F1071 T1072	R574-P1069 VanDerWaalsContact NH2-CD 3.33Å; E1036-P1069 HydrophobicContact CB-CB 4.03Å; E1036-P1069 HydrophobicContact CB-CG 3.79Å; E1036-P1069 HydrophobicContact CG-CG 3.82Å; I1059-P1069 HydrophobicContact CG2-CB 3.88Å; E1063-P1069 HydrophobicContact CB-CB 4.45Å; E1063-P1069 WeakPolarHBondContact OE2-CB 3.31Å; E1063-P1069 WeakPolarHBondContact OE2-CD 3.5Å; E1063-P1069 VanDerWaalsContact OE2-CG 3.27Å; E1063-P1069 WeakPolarHBondContact OE2-CG 3.27Å; P1069-F1071 PolarHBondContact O-N 2.91Å; P1069-T1072 HydrophobicContact CG-CG2 3.67Å; P1069-T1072 WeakPolarHBondContact O-CG2 3.45Å
1070	P	96.1	Very high	89.9	Confident	11 Å²	11	29.2 Å²	29.2	7%	0.071	17%	0.173	C	C	.	.	S	Bend	trans	-69.6	-17.6	-176	27.7	-33	0	0	0	113.2	I1059 F1062 I1087 I1090	I1059-P1070 HydrophobicContact CD1-CG 3.79Å; F1062-P1070 HydrophobicContact CB-CG 4.2Å; F1062-P1070 HydrophobicContact CD1-CB 3.76Å; F1062-P1070 HydrophobicContact CD1-CG 4.09Å; F1062-P1070 HydrophobicContact CD2-CB 3.93Å; F1062-P1070 HydrophobicContact CD2-CG 4.41Å; F1062-P1070 HydrophobicContact CE1-CB 3.82Å; F1062-P1070 HydrophobicContact CE2-CB 3.97Å; F1062-P1070 HydrophobicContact CG-CB 3.83Å; F1062-P1070 HydrophobicContact CG-CG 3.99Å; F1062-P1070 HydrophobicContact CZ-CB 3.92Å; P1070-I1087 HydrophobicContact CB-CD1 3.98Å; P1070-I1087 HydrophobicContact CG-CD1 4.09Å; P1070-I1090 HydrophobicContact CB-CG1 4.42Å; P1070-I1090 HydrophobicContact CB-CG2 4.09Å; P1070-I1090 WeakPolarHBondContact O-CD1 3.42Å
1071	F	94.3	Very high	89.1	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-118.9	99.9	-178.6	-53.9	-59.3	0	0	0	109.3	E1036 W1055 I1059 P1069 I1079 I1082 I1083 I1087 I1090	E1036-F1071 VanDerWaalsContact CG-O 3.25Å; E1036-F1071 WeakPolarHBondContact CG-O 3.35Å; W1055-F1071 HydrophobicContact CH2-CE2 4.01Å; W1055-F1071 HydrophobicContact CH2-CZ 4.14Å; W1055-F1071 HydrophobicContact CZ2-CD2 4.26Å; W1055-F1071 AromaticContact CZ2-CE2 3.43Å; W1055-F1071 HydrophobicContact CZ2-CE2 3.43Å; W1055-F1071 VanDerWaalsContact CZ2-CE2 3.43Å; W1055-F1071 HydrophobicContact CZ2-CZ 4.01Å; I1059-F1071 HydrophobicContact CD1-CD2 3.74Å; I1059-F1071 HydrophobicContact CD1-CE2 3.59Å; P1069-F1071 PolarHBondContact O-N 2.91Å; F1071-I1079 HydrophobicContact CB-CG2 4.23Å; F1071-I1082 HydrophobicContact CD1-CB 4.34Å; F1071-I1082 HydrophobicContact CD1-CG2 3.69Å; F1071-I1082 HydrophobicContact CE1-CG2 4.25Å; F1071-I1083 HydrophobicContact CB-CD1 4.37Å; F1071-I1083 HydrophobicContact CB-CG1 3.79Å; F1071-I1083 HydrophobicContact CD1-CG1 4.21Å; F1071-I1083 HydrophobicContact CD2-CD1 4.44Å; F1071-I1083 HydrophobicContact CD2-CG1 3.57Å; F1071-I1083 HydrophobicContact CE2-CG1 4.16Å; F1071-I1083 HydrophobicContact CG-CG1 3.59Å; F1071-I1087 HydrophobicContact CE1-CD1 4.43Å; F1071-I1087 HydrophobicContact CE2-CD1 4.2Å; F1071-I1087 HydrophobicContact CZ-CB 4.25Å; F1071-I1087 HydrophobicContact CZ-CD1 3.75Å; F1071-I1090 HydrophobicContact CD1-CD1 3.89Å; F1071-I1090 HydrophobicContact CD1-CG1 4.03Å; F1071-I1090 HydrophobicContact CE1-CD1 3.82Å; F1071-I1090 HydrophobicContact CE1-CG1 3.55Å; F1071-I1090 HydrophobicContact CZ-CG1 4.34Å
1072	T	88.8	Confident	88.6	Confident	76 Å²	76	33.2 Å²	33.2	47%	0.466	19%	0.194	S	C	.	.			trans	-131.4	144.9	-176.7	48.3	0	0	0	0	112.8	P1069	P1069-T1072 HydrophobicContact CG-CG2 3.67Å; P1069-T1072 WeakPolarHBondContact O-CG2 3.45Å
1073	S	86.5	Confident	88.3	Confident	51 Å²	51	32.8 Å²	32.8	36%	0.357	19%	0.192	S	C	.	.			trans	-164.7	169.3	169.7	-151	0	0	0	0	110.4	D1075 K1078	S1073-D1075 PolarHBondContact O-N 3.16Å; S1073-K1078 VanDerWaalsContact OG-CB 3.31Å; S1073-K1078 WeakPolarHBondContact OG-CB 3.3Å
1074	S	77.9	Confident	87.9	Confident	114 Å²	114	34.2 Å²	34.2	80%	0.797	20%	0.2	S	C	*	.	S	Bend	trans	-83	2.2	173.2	66.9	0	0	0	0	113.9
1075	D	74.8	Confident	87.5	Confident	55 Å²	55	41 Å²	41	29%	0.294	23%	0.229	S	C	.	.	S	Bend	trans	-141.7	117.5	-173.8	165.2	11.4	0	0	0	107.5	S1073 M1077 K1078 I1079	S1073-D1075 PolarHBondContact O-N 3.16Å; D1075-M1077 PolarHBondContact O-N 3.22Å; D1075-M1077 VanDerWaalsContact O-N 3.14Å; D1075-M1077 PolarHBondContact OD1-N 3.12Å; D1075-K1078 HydrophobicContact CB-CB 4.4Å; D1075-K1078 HydrophobicContact CB-CD 4.03Å; D1075-K1078 HydrophobicContact CB-CG 4.16Å; D1075-K1078 WeakPolarHBondContact O-CB 3.46Å; D1075-K1078 PolarHBondContact O-N 3.34Å; D1075-K1078 WeakPolarHBondContact OD2-CE 3.38Å; D1075-I1079 PolarHBondContact O-N 2.95Å
1076	P	75.1	Confident	87.1	Confident	55 Å²	55	40.7 Å²	40.7	36%	0.357	23%	0.228	S	C	.	.	H	α-helix	trans	-51.5	-36.1	179.1	-29.2	36.3	0	0	0	113.5	K1078 I1079 Y1080	P1076-K1078 VanDerWaalsContact C-N 3.26Å; P1076-K1078 PolarHBondContact O-N 3.39Å; P1076-I1079 WeakPolarHBondContact O-CA 3.35Å; P1076-I1079 WeakPolarHBondContact O-CB 3.27Å; P1076-I1079 PolarHBondContact O-N 3Å; P1076-Y1080 VanDerWaalsContact C-CD2 3.49Å; P1076-Y1080 HydrophobicContact CB-CD2 4.33Å; P1076-Y1080 HydrophobicContact CB-CE2 3.62Å; P1076-Y1080 WeakPolarHBondContact O-CD2 3.17Å; P1076-Y1080 WeakPolarHBondContact O-CE2 3.45Å; P1076-Y1080 VanDerWaalsContact O-CG 3.29Å; P1076-Y1080 PolarHBondContact O-N 3.17Å
1077	M	72.9	Confident	87.1	Confident	27 Å²	27	39.8 Å²	39.8	13%	0.133	22%	0.223	C	C	.	.	H	α-helix	trans	-65.6	-31.6	-179.9	-166.3	59.7	-151.6	0	0	112.6	F617 L683 D1075 Y1080 N1081	F617-M1077 HydrophobicContact CB-CE 4.06Å; L683-M1077 HydrophobicContact CD2-CB 3.86Å; L683-M1077 HydrophobicContact CD2-CG 3.69Å; L683-M1077 HydrophobicContact CD2-SD 3.38Å; L683-M1077 WeakPolarHBondContact CD2-SD 3.38Å; D1075-M1077 PolarHBondContact O-N 3.22Å; D1075-M1077 VanDerWaalsContact O-N 3.14Å; D1075-M1077 PolarHBondContact OD1-N 3.12Å; M1077-Y1080 HydrophobicContact SD-CD2 4.42Å; M1077-N1081 WeakPolarHBondContact CE-OD1 3.34Å; M1077-N1081 VanDerWaalsContact O-CB 3.32Å; M1077-N1081 WeakPolarHBondContact O-CB 3.42Å; M1077-N1081 PolarHBondContact O-N 2.93Å; M1077-N1081 PolarHBondContact O-ND2 3.11Å
1078	K	81.7	Confident	86.9	Confident	108 Å²	108	44.3 Å²	44.3	47%	0.47	25%	0.246	S	C	.	.	H	α-helix	trans	-70.2	-38.3	171.2	-66.2	176.1	-165.6	174.4	0	111.4	S1073 D1075 P1076 N1081 I1082	S1073-K1078 VanDerWaalsContact OG-CB 3.31Å; S1073-K1078 WeakPolarHBondContact OG-CB 3.3Å; D1075-K1078 HydrophobicContact CB-CB 4.4Å; D1075-K1078 HydrophobicContact CB-CD 4.03Å; D1075-K1078 HydrophobicContact CB-CG 4.16Å; D1075-K1078 WeakPolarHBondContact O-CB 3.46Å; D1075-K1078 PolarHBondContact O-N 3.34Å; D1075-K1078 WeakPolarHBondContact OD2-CE 3.38Å; P1076-K1078 VanDerWaalsContact C-N 3.26Å; P1076-K1078 PolarHBondContact O-N 3.39Å; K1078-N1081 PolarHBondContact O-N 3.4Å; K1078-I1082 WeakPolarHBondContact O-CD1 3.47Å; K1078-I1082 WeakPolarHBondContact O-CG1 3.48Å; K1078-I1082 PolarHBondContact O-N 3.47Å
1079	I	87.7	Confident	86.8	Confident	6 Å²	6	45.5 Å²	45.5	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-58.3	-52.2	174.6	-55.9	175.7	0	0	0	109.7	P1035 E1036 F1071 D1075 P1076 N1081 I1082 I1083	P1035-I1079 HydrophobicContact CB-CD1 4.29Å; E1036-I1079 HydrophobicContact CG-CD1 4.15Å; E1036-I1079 HydrophobicContact CG-CG2 4.23Å; F1071-I1079 HydrophobicContact CB-CG2 4.23Å; D1075-I1079 PolarHBondContact O-N 2.95Å; P1076-I1079 WeakPolarHBondContact O-CA 3.35Å; P1076-I1079 WeakPolarHBondContact O-CB 3.27Å; P1076-I1079 PolarHBondContact O-N 3Å; I1079-N1081 PolarHBondContact O-N 3.45Å; I1079-I1082 PolarHBondContact O-N 3.29Å; I1079-I1083 HydrophobicContact CG2-CD1 3.89Å; I1079-I1083 WeakPolarHBondContact O-CG1 3.45Å; I1079-I1083 PolarHBondContact O-N 3Å
1080	Y	84.8	Confident	86.7	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-40.5	178.3	-54.4	-48.2	0	0	0	112.4	Y687 F1031 P1035 V1038 I1043 P1076 M1077 I1082 I1083 L1084	Y687-Y1080 HydrophobicContact CD1-CE2 4.33Å; Y687-Y1080 HydrophobicContact CE1-CD2 4.14Å; Y687-Y1080 HydrophobicContact CE1-CE1 4.48Å; Y687-Y1080 AromaticContact CE1-CE2 3.41Å; Y687-Y1080 HydrophobicContact CE1-CE2 3.41Å; Y687-Y1080 VanDerWaalsContact CE1-CE2 3.41Å; Y687-Y1080 AromaticContact CE1-CZ 3.6Å; Y687-Y1080 HydrophobicContact CE2-CD2 4.21Å; Y687-Y1080 AromaticContact CE2-CE2 3.81Å; Y687-Y1080 HydrophobicContact CE2-CE2 3.81Å; Y687-Y1080 AromaticContact CZ-CD2 3.53Å; Y687-Y1080 AromaticContact CZ-CE2 3.16Å; Y687-Y1080 AromaticContact CZ-CZ 3.86Å; Y687-Y1080 WeakPolarHBondContact OH-CD2 3.48Å; Y687-Y1080 WeakPolarHBondContact OH-CE2 3.41Å; F1031-Y1080 HydrophobicContact CZ-CE1 4.28Å; P1035-Y1080 HydrophobicContact CB-CE1 3.98Å; P1035-Y1080 WeakPolarHBondContact CB-OH 3.41Å; V1038-Y1080 HydrophobicContact CB-CE1 4.4Å; V1038-Y1080 HydrophobicContact CG2-CE1 4.37Å; I1043-Y1080 HydrophobicContact CD1-CD1 3.63Å; I1043-Y1080 HydrophobicContact CD1-CG 4.23Å; I1043-Y1080 HydrophobicContact CG1-CD1 3.88Å; I1043-Y1080 HydrophobicContact CG1-CE1 4.5Å; I1043-Y1080 HydrophobicContact CG1-CG 4.42Å; P1076-Y1080 VanDerWaalsContact C-CD2 3.49Å; P1076-Y1080 HydrophobicContact CB-CD2 4.33Å; P1076-Y1080 HydrophobicContact CB-CE2 3.62Å; P1076-Y1080 WeakPolarHBondContact O-CD2 3.17Å; P1076-Y1080 WeakPolarHBondContact O-CE2 3.45Å; P1076-Y1080 VanDerWaalsContact O-CG 3.29Å; P1076-Y1080 PolarHBondContact O-N 3.17Å; M1077-Y1080 HydrophobicContact SD-CD2 4.42Å; Y1080-I1082 PolarHBondContact O-N 2.94Å; Y1080-I1083 HydrophobicContact CD1-CD1 4.21Å; Y1080-I1083 PolarHBondContact O-N 3Å; Y1080-L1084 WeakPolarHBondContact O-CG 3.47Å; Y1080-L1084 PolarHBondContact O-N 3.2Å
1081	N	81.5	Confident	86.6	Confident	42 Å²	42	54.9 Å²	54.9	23%	0.225	30%	0.297	C	S	.	.	H	α-helix	trans	-67.3	-16	174.2	-81.5	-19.6	0	0	0	114.6	M1077 K1078 I1079 K1085	M1077-N1081 WeakPolarHBondContact CE-OD1 3.34Å; M1077-N1081 VanDerWaalsContact O-CB 3.32Å; M1077-N1081 WeakPolarHBondContact O-CB 3.42Å; M1077-N1081 PolarHBondContact O-N 2.93Å; M1077-N1081 PolarHBondContact O-ND2 3.11Å; K1078-N1081 PolarHBondContact O-N 3.4Å; I1079-N1081 PolarHBondContact O-N 3.45Å; N1081-K1085 WeakPolarHBondContact O-CE 3.15Å; N1081-K1085 WeakPolarHBondContact O-CG 3.34Å
1082	I	89	Confident	86.6	Confident	43 Å²	43	55.7 Å²	55.7	22%	0.221	30%	0.3	C	S	.	.	H	α-helix	trans	-89.2	-41.5	169.5	-56.3	156	0	0	0	109.7	F1071 K1078 I1079 Y1080 L1084 K1085 I1090	F1071-I1082 HydrophobicContact CD1-CB 4.34Å; F1071-I1082 HydrophobicContact CD1-CG2 3.69Å; F1071-I1082 HydrophobicContact CE1-CG2 4.25Å; K1078-I1082 WeakPolarHBondContact O-CD1 3.47Å; K1078-I1082 WeakPolarHBondContact O-CG1 3.48Å; K1078-I1082 PolarHBondContact O-N 3.47Å; I1079-I1082 PolarHBondContact O-N 3.29Å; Y1080-I1082 PolarHBondContact O-N 2.94Å; I1082-L1084 VanDerWaalsContact C-N 3.27Å; I1082-L1084 PolarHBondContact O-N 3.2Å; I1082-K1085 WeakPolarHBondContact O-CB 3.5Å; I1082-K1085 PolarHBondContact O-N 3.32Å; I1082-I1090 HydrophobicContact CG2-CD1 3.89Å
1083	I	91.7	Very high	86.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-54.4	-43.9	173.5	-71	163.8	0	0	0	111.1	P1035 P1040 I1043 W1055 F1071 I1079 Y1080 K1085 G1086	P1035-I1083 WeakPolarHBondContact O-CD1 3.15Å; P1040-I1083 HydrophobicContact CB-CG2 4.49Å; P1040-I1083 HydrophobicContact CG-CG2 3.82Å; I1043-I1083 HydrophobicContact CD1-CB 3.91Å; I1043-I1083 HydrophobicContact CD1-CD1 4.08Å; I1043-I1083 HydrophobicContact CD1-CG2 3.45Å; I1043-I1083 VanDerWaalsContact CD1-CG2 3.45Å; W1055-I1083 HydrophobicContact CH2-CG2 4.28Å; W1055-I1083 HydrophobicContact CZ2-CG2 3.75Å; F1071-I1083 HydrophobicContact CB-CD1 4.37Å; F1071-I1083 HydrophobicContact CB-CG1 3.79Å; F1071-I1083 HydrophobicContact CD1-CG1 4.21Å; F1071-I1083 HydrophobicContact CD2-CD1 4.44Å; F1071-I1083 HydrophobicContact CD2-CG1 3.57Å; F1071-I1083 HydrophobicContact CE2-CG1 4.16Å; F1071-I1083 HydrophobicContact CG-CG1 3.59Å; I1079-I1083 HydrophobicContact CG2-CD1 3.89Å; I1079-I1083 WeakPolarHBondContact O-CG1 3.45Å; I1079-I1083 PolarHBondContact O-N 3Å; Y1080-I1083 HydrophobicContact CD1-CD1 4.21Å; Y1080-I1083 PolarHBondContact O-N 3Å; I1083-K1085 PolarHBondContact O-N 3.19Å; I1083-G1086 PolarHBondContact O-N 3.05Å
1084	L	88.2	Confident	87.1	Confident	37 Å²	37	62.3 Å²	62.3	19%	0.194	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-9.9	178.1	-65.7	-178.6	0	0	0	114.7	F617 P1040 I1043 L1044 Y1080 I1082	F617-L1084 HydrophobicContact CD2-CD1 4.49Å; P1040-L1084 HydrophobicContact CB-CD2 4.21Å; I1043-L1084 HydrophobicContact CB-CD2 4.34Å; I1043-L1084 HydrophobicContact CG2-CD1 4.03Å; I1043-L1084 HydrophobicContact CG2-CD2 4.09Å; I1043-L1084 HydrophobicContact CG2-CG 4.19Å; L1044-L1084 HydrophobicContact CD1-CD2 4Å; L1044-L1084 HydrophobicContact CD2-CD1 4.03Å; L1044-L1084 HydrophobicContact CD2-CD2 3.84Å; L1044-L1084 HydrophobicContact CG-CD2 3.68Å; Y1080-L1084 WeakPolarHBondContact O-CG 3.47Å; Y1080-L1084 PolarHBondContact O-N 3.2Å; I1082-L1084 VanDerWaalsContact C-N 3.27Å; I1082-L1084 PolarHBondContact O-N 3.2Å
1085	K	88.3	Confident	87.6	Confident	141 Å²	141	60.8 Å²	60.8	61%	0.613	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-11.4	169.1	-64.5	171.3	-174.9	176.5	0	112.7	N1081 I1082 I1083 T1089	N1081-K1085 WeakPolarHBondContact O-CE 3.15Å; N1081-K1085 WeakPolarHBondContact O-CG 3.34Å; I1082-K1085 WeakPolarHBondContact O-CB 3.5Å; I1082-K1085 PolarHBondContact O-N 3.32Å; I1083-K1085 PolarHBondContact O-N 3.19Å; K1085-T1089 HydrophobicContact CB-CG2 4.05Å; K1085-T1089 WeakPolarHBondContact O-CG2 3.29Å
1086	G	90.5	Very high	88.7	Confident	2 Å²	2	58.3 Å²	58.3	2%	0.021	30%	0.297	C	S	.	.			trans	78.1	156.5	176.8	0	0	0	0	0	114.6	I1083 N1088 T1089 D1110	I1083-G1086 PolarHBondContact O-N 3.05Å; G1086-N1088 PolarHBondContact O-N 3.3Å; G1086-T1089 PolarHBondContact O-N 3.5Å; G1086-T1089 PolarHBondContact O-OG1 2.94Å; G1086-D1110 WeakPolarHBondContact CA-OD1 3.43Å
1087	I	94.2	Very high	89.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-59.1	-20.7	-175	-164.7	61.2	0	0	0	113.6	P1070 F1071 T1089 I1090 F1092 I1104 K1105 C1108	P1070-I1087 HydrophobicContact CB-CD1 3.98Å; P1070-I1087 HydrophobicContact CG-CD1 4.09Å; F1071-I1087 HydrophobicContact CE1-CD1 4.43Å; F1071-I1087 HydrophobicContact CE2-CD1 4.2Å; F1071-I1087 HydrophobicContact CZ-CB 4.25Å; F1071-I1087 HydrophobicContact CZ-CD1 3.75Å; I1087-T1089 PolarHBondContact O-N 3.07Å; I1087-I1090 HydrophobicContact CD1-CB 4.41Å; I1087-I1090 HydrophobicContact CD1-CG1 4.23Å; I1087-I1090 PolarHBondContact O-N 2.71Å; I1087-F1092 HydrophobicContact CD1-CE2 4.31Å; I1087-F1092 HydrophobicContact CD1-CZ 4.03Å; I1087-F1092 HydrophobicContact CG1-CE2 4.09Å; I1087-F1092 HydrophobicContact CG1-CZ 3.82Å; I1087-I1104 HydrophobicContact CD1-CG2 4.44Å; I1087-I1104 HydrophobicContact CG1-CG2 4.37Å; I1087-K1105 HydrophobicContact CG2-CG 4.36Å; I1087-C1108 HydrophobicContact CB-CB 3.82Å; I1087-C1108 HydrophobicContact CD1-CB 4.42Å; I1087-C1108 HydrophobicContact CG1-CB 3.94Å; I1087-C1108 HydrophobicContact CG2-CB 3.97Å; I1087-C1108 WeakPolarHBondContact CG2-O 3.49Å
1088	N	92.2	Very high	90.8	Very high	99 Å²	99	67.4 Å²	67.4	53%	0.529	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-70.5	-14.4	179.1	-63.7	-55.8	0	0	0	113.6	G1086	G1086-N1088 PolarHBondContact O-N 3.3Å
1089	T	91.2	Very high	91.6	Very high	84 Å²	84	65.6 Å²	65.6	52%	0.515	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-89.4	-4.9	173.6	61.2	0	0	0	0	114	K1085 G1086 I1087	K1085-T1089 HydrophobicContact CB-CG2 4.05Å; K1085-T1089 WeakPolarHBondContact O-CG2 3.29Å; G1086-T1089 PolarHBondContact O-N 3.5Å; G1086-T1089 PolarHBondContact O-OG1 2.94Å; I1087-T1089 PolarHBondContact O-N 3.07Å
1090	I	93.5	Very high	92.1	Very high	31 Å²	31	65.3 Å²	65.3	16%	0.159	32%	0.323	C	S	.	.	S	Bend	trans	-90.1	128.7	177.8	-55.5	-55.2	0	0	0	109.7	F1062 P1070 F1071 I1082 I1087 F1092	F1062-I1090 HydrophobicContact CE2-CG2 4.31Å; F1062-I1090 HydrophobicContact CZ-CG2 4.3Å; P1070-I1090 HydrophobicContact CB-CG1 4.42Å; P1070-I1090 HydrophobicContact CB-CG2 4.09Å; P1070-I1090 WeakPolarHBondContact O-CD1 3.42Å; F1071-I1090 HydrophobicContact CD1-CD1 3.89Å; F1071-I1090 HydrophobicContact CD1-CG1 4.03Å; F1071-I1090 HydrophobicContact CE1-CD1 3.82Å; F1071-I1090 HydrophobicContact CE1-CG1 3.55Å; F1071-I1090 HydrophobicContact CZ-CG1 4.34Å; I1082-I1090 HydrophobicContact CG2-CD1 3.89Å; I1087-I1090 HydrophobicContact CD1-CB 4.41Å; I1087-I1090 HydrophobicContact CD1-CG1 4.23Å; I1087-I1090 PolarHBondContact O-N 2.71Å; I1090-F1092 HydrophobicContact CB-CE2 4.45Å; I1090-F1092 WeakPolarHBondContact O-CD2 3.34Å
1091	E	93.1	Very high	92.7	Very high	181 Å²	181	67.5 Å²	67.5	85%	0.846	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-76.3	125.6	169.4	-172.8	170.3	-174.4	0	0	109.5	P1093	E1091-P1093 WeakPolarHBondContact O-CD 3.33Å
1092	F	95.4	Very high	93.4	Very high	17 Å²	17	68 Å²	68	8%	0.075	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-89.2	122.6	-177.4	-82.5	-112	0	0	0	110	F1062 I1087 I1090 I1096 Q1101 I1104 K1105	F1062-F1092 HydrophobicContact CD2-CD1 4.07Å; F1062-F1092 AromaticContact CD2-CE1 3.74Å; F1062-F1092 HydrophobicContact CD2-CE1 3.74Å; F1062-F1092 HydrophobicContact CD2-CZ 4.22Å; F1062-F1092 AromaticContact CE2-CD1 3.89Å; F1062-F1092 HydrophobicContact CE2-CD1 3.89Å; F1062-F1092 AromaticContact CE2-CE1 3.93Å; F1062-F1092 HydrophobicContact CE2-CE1 3.93Å; F1062-F1092 HydrophobicContact CE2-CG 4.27Å; F1062-F1092 HydrophobicContact CE2-CZ 4.3Å; I1087-F1092 HydrophobicContact CD1-CE2 4.31Å; I1087-F1092 HydrophobicContact CD1-CZ 4.03Å; I1087-F1092 HydrophobicContact CG1-CE2 4.09Å; I1087-F1092 HydrophobicContact CG1-CZ 3.82Å; I1090-F1092 HydrophobicContact CB-CE2 4.45Å; I1090-F1092 WeakPolarHBondContact O-CD2 3.34Å; F1092-I1096 HydrophobicContact CD1-CD1 3.86Å; F1092-I1096 HydrophobicContact CD1-CG2 4.33Å; F1092-Q1101 HydrophobicContact CB-CG 4.12Å; F1092-Q1101 HydrophobicContact CD1-CB 4.04Å; F1092-Q1101 HydrophobicContact CD1-CG 3.7Å; F1092-Q1101 HydrophobicContact CE1-CB 4.43Å; F1092-Q1101 HydrophobicContact CG-CG 4.18Å; F1092-I1104 HydrophobicContact CE1-CB 3.99Å; F1092-I1104 HydrophobicContact CE1-CD1 4.09Å; F1092-I1104 HydrophobicContact CE1-CG2 3.79Å; F1092-I1104 HydrophobicContact CZ-CB 4.34Å; F1092-I1104 HydrophobicContact CZ-CG2 3.8Å; F1092-K1105 VanDerWaalsContact CD2-CE 3.41Å; F1092-K1105 HydrophobicContact CE2-CD 4.27Å; F1092-K1105 HydrophobicContact CE2-CG 4.11Å; F1092-K1105 HydrophobicContact CZ-CD 4.4Å; F1092-K1105 HydrophobicContact CZ-CG 3.85Å
1093	P	93.4	Very high	93.8	Very high	50 Å²	50	66 Å²	66	33%	0.325	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-55	146.2	175.4	-28.8	36.8	0	0	0	113	T1066 E1091 S1095 I1096	T1066-P1093 HydrophobicContact CG2-CG 4.08Å; E1091-P1093 WeakPolarHBondContact O-CD 3.33Å; P1093-S1095 PolarHBondContact O-N 3.02Å; P1093-S1095 VanDerWaalsContact O-N 3.08Å; P1093-I1096 PolarHBondContact O-N 3.1Å
1094	K	91.2	Very high	94.1	Very high	216 Å²	216	66 Å²	66	94%	0.939	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-13.9	-179.7	-65.5	178.2	-177.1	171.5	0	114
1095	S	90.2	Very high	94.6	Very high	83 Å²	83	67.3 Å²	67.3	58%	0.58	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-30.4	171.5	51.8	0	0	0	0	113	P1093 T1097	P1093-S1095 PolarHBondContact O-N 3.02Å; P1093-S1095 VanDerWaalsContact O-N 3.08Å; S1095-T1097 PolarHBondContact O-N 2.76Å
1096	I	96.1	Very high	94.9	Very high	2 Å²	2	63.8 Å²	63.8	1%	0.01	32%	0.318	C	S	.	.	S	Bend	trans	-76.2	116.5	-179.8	-53.8	-177.8	0	0	0	108.7	F1062 L1065 T1066 F1092 P1093 A1100 Q1101 I1104	F1062-I1096 HydrophobicContact CD2-CD1 3.58Å; F1062-I1096 HydrophobicContact CE2-CD1 3.55Å; F1062-I1096 HydrophobicContact CG-CD1 4.21Å; F1062-I1096 HydrophobicContact CZ-CD1 4.15Å; L1065-I1096 HydrophobicContact CB-CG1 4.19Å; L1065-I1096 HydrophobicContact CD1-CG2 4.07Å; T1066-I1096 HydrophobicContact CG2-CD1 3.75Å; T1066-I1096 HydrophobicContact CG2-CG1 3.99Å; F1092-I1096 HydrophobicContact CD1-CD1 3.86Å; F1092-I1096 HydrophobicContact CD1-CG2 4.33Å; P1093-I1096 PolarHBondContact O-N 3.1Å; I1096-A1100 HydrophobicContact CG2-CB 3.68Å; I1096-Q1101 HydrophobicContact CB-CG 3.96Å; I1096-Q1101 HydrophobicContact CG2-CB 4.44Å; I1096-Q1101 HydrophobicContact CG2-CG 3.53Å; I1096-Q1101 PolarHBondContact O-NE2 3.07Å; I1096-I1104 HydrophobicContact CG2-CD1 4.18Å
1097	T	96.4	Very high	95.2	Very high	55 Å²	55	63.7 Å²	63.7	34%	0.337	32%	0.317	S	S	.	.			trans	-60.2	149.8	-179	68.5	0	0	0	0	111.7	D971 S1095 N1099 A1100 Q1101	D971-T1097 HydrophobicContact CB-CG2 3.99Å; D971-T1097 WeakPolarHBondContact OD1-CB 3.3Å; D971-T1097 WeakPolarHBondContact OD1-CG2 3.22Å; D971-T1097 PolarHBondContact OD1-OG1 3.32Å; S1095-T1097 PolarHBondContact O-N 2.76Å; T1097-N1099 PolarHBondContact O-N 2.79Å; T1097-N1099 VanDerWaalsContact O-N 3.09Å; T1097-A1100 WeakPolarHBondContact O-CA 3.21Å; T1097-A1100 WeakPolarHBondContact O-CB 3.2Å; T1097-A1100 PolarHBondContact O-N 3Å; T1097-A1100 WeakPolarHBondContact OG1-CB 3.32Å; T1097-A1100 PolarHBondContact OG1-N 2.77Å; T1097-Q1101 WeakPolarHBondContact O-CG 3.49Å; T1097-Q1101 PolarHBondContact O-N 3.45Å
1098	R	96.9	Very high	95.3	Very high	218 Å²	218	63.7 Å²	63.7	82%	0.823	32%	0.317	S	S	*	.	H	α-helix	trans	-54.7	-34.4	-178.2	-70.8	-177.5	178.9	169.3	0.3	113	C1102	R1098-C1102 VanDerWaalsContact O-CB 3.31Å; R1098-C1102 WeakPolarHBondContact O-CB 3.16Å; R1098-C1102 PolarHBondContact O-N 3.13Å
1099	N	97.4	Very high	95.3	Very high	70 Å²	70	62.3 Å²	62.3	37%	0.374	30%	0.304	S	S	.	.	H	α-helix	trans	-75.1	-37.7	179.5	-65.5	8.4	0	0	0	111.3	T1097 C1102 L1103 H1129 A1130 W1131	T1097-N1099 PolarHBondContact O-N 2.79Å; T1097-N1099 VanDerWaalsContact O-N 3.09Å; N1099-C1102 PolarHBondContact O-N 3.06Å; N1099-L1103 PolarHBondContact O-N 3.33Å; N1099-H1129 PolarHBondContact O-CE1 2.84Å; N1099-A1130 PolarHBondContact ND2-O 2.62Å; N1099-W1131 HydrophobicContact CB-CB 4.15Å
1100	A	97.9	Very high	95.1	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.8	-47.6	169.3	0	0	0	0	0	111.9	M1061 L1065 I1096 T1097 C1102 L1103 I1104 W1131	M1061-A1100 HydrophobicContact CE-CB 4.46Å; L1065-A1100 HydrophobicContact CD1-CB 3.73Å; I1096-A1100 HydrophobicContact CG2-CB 3.68Å; T1097-A1100 WeakPolarHBondContact O-CA 3.21Å; T1097-A1100 WeakPolarHBondContact O-CB 3.2Å; T1097-A1100 PolarHBondContact O-N 3Å; T1097-A1100 WeakPolarHBondContact OG1-CB 3.32Å; T1097-A1100 PolarHBondContact OG1-N 2.77Å; A1100-C1102 VanDerWaalsContact C-N 3.27Å; A1100-C1102 PolarHBondContact O-N 3.39Å; A1100-L1103 PolarHBondContact O-N 3.21Å; A1100-L1103 VanDerWaalsContact O-N 3.12Å; A1100-I1104 VanDerWaalsContact O-CG1 3.31Å; A1100-I1104 WeakPolarHBondContact O-CG1 3.39Å; A1100-I1104 PolarHBondContact O-N 3.26Å; A1100-W1131 HydrophobicContact CB-CG 4.43Å
1101	Q	97.8	Very high	94.6	Very high	47 Å²	47	61.4 Å²	61.4	22%	0.22	30%	0.302	C	S	.	.	H	α-helix	trans	-56.8	-42.2	175.8	-60.7	-168.8	18.2	0	0	111.7	F1092 I1096 T1097 K1105	F1092-Q1101 HydrophobicContact CB-CG 4.12Å; F1092-Q1101 HydrophobicContact CD1-CB 4.04Å; F1092-Q1101 HydrophobicContact CD1-CG 3.7Å; F1092-Q1101 HydrophobicContact CE1-CB 4.43Å; F1092-Q1101 HydrophobicContact CG-CG 4.18Å; I1096-Q1101 HydrophobicContact CB-CG 3.96Å; I1096-Q1101 HydrophobicContact CG2-CB 4.44Å; I1096-Q1101 HydrophobicContact CG2-CG 3.53Å; I1096-Q1101 PolarHBondContact O-NE2 3.07Å; T1097-Q1101 WeakPolarHBondContact O-CG 3.49Å; T1097-Q1101 PolarHBondContact O-N 3.45Å; Q1101-K1105 WeakPolarHBondContact O-CB 3.01Å; Q1101-K1105 WeakPolarHBondContact O-CG 3.14Å; Q1101-K1105 PolarHBondContact O-N 3.38Å
1102	C	96.7	Very high	94.4	Very high	52 Å²	52	53.7 Å²	53.7	35%	0.351	27%	0.267	S	S	.	.	H	α-helix	trans	-65.5	-40.1	178	-168.6	0	0	0	0	112	R1098 N1099 A1100 K1106	R1098-C1102 VanDerWaalsContact O-CB 3.31Å; R1098-C1102 WeakPolarHBondContact O-CB 3.16Å; R1098-C1102 PolarHBondContact O-N 3.13Å; N1099-C1102 PolarHBondContact O-N 3.06Å; A1100-C1102 VanDerWaalsContact C-N 3.27Å; A1100-C1102 PolarHBondContact O-N 3.39Å; C1102-K1106 WeakPolarHBondContact O-CD 3Å; C1102-K1106 VanDerWaalsContact O-CG 3.24Å; C1102-K1106 WeakPolarHBondContact O-CG 3.19Å; C1102-K1106 PolarHBondContact O-N 3.11Å; C1102-K1106 WeakPolarHBondContact SG-CE 3.27Å; C1102-K1106 PolarHBondContact SG-NZ 3.4Å; C1102-K1106 VanDerWaalsContact SG-NZ 3.45Å
1103	L	97.8	Very high	93.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-68	-49.2	177	-175.9	46.1	0	0	0	111.6	M1061 N1099 A1100 K1105 K1106 L1107 L1116 V1126 H1129 W1131 F1132	M1061-L1103 HydrophobicContact CE-CB 4.05Å; M1061-L1103 HydrophobicContact CE-CD2 3.78Å; M1061-L1103 HydrophobicContact CE-CG 3.91Å; M1061-L1103 HydrophobicContact SD-CD2 3.84Å; M1061-L1103 HydrophobicContact SD-CG 3.89Å; N1099-L1103 PolarHBondContact O-N 3.33Å; A1100-L1103 PolarHBondContact O-N 3.21Å; A1100-L1103 VanDerWaalsContact O-N 3.12Å; L1103-K1105 VanDerWaalsContact C-N 3.31Å; L1103-K1105 PolarHBondContact O-N 3.46Å; L1103-K1106 CarbonylContact O-C 3.52Å; L1103-K1106 WeakPolarHBondContact O-CA 3.38Å; L1103-K1106 PolarHBondContact O-N 3.02Å; L1103-L1107 HydrophobicContact CD1-CD1 3.9Å; L1103-L1107 HydrophobicContact CD1-CG 3.91Å; L1103-L1107 HydrophobicContact CG-CD1 3.86Å; L1103-L1107 HydrophobicContact CG-CG 4.36Å; L1103-L1107 WeakPolarHBondContact O-CG 3.32Å; L1103-L1107 PolarHBondContact O-N 3.34Å; L1103-L1116 HydrophobicContact CD1-CD2 3.39Å; L1103-V1126 HydrophobicContact CD1-CG1 4.47Å; L1103-H1129 HydrophobicContact CD1-CB 4.14Å; L1103-H1129 HydrophobicContact CD2-CB 4.31Å; L1103-W1131 HydrophobicContact CD2-CB 3.96Å; L1103-W1131 HydrophobicContact CD2-CD2 4.22Å; L1103-W1131 HydrophobicContact CD2-CE3 3.61Å; L1103-W1131 HydrophobicContact CD2-CG 4.41Å; L1103-W1131 HydrophobicContact CD2-CZ3 4.41Å; L1103-F1132 HydrophobicContact CD2-CD2 4.2Å; L1103-F1132 HydrophobicContact CD2-CE2 3.75Å
1104	I	98.3	Very high	93.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-56.6	-44.4	177.6	-64.3	161.1	0	0	0	110.6	M1061 F1062 I1087 F1092 I1096 A1100 K1106 L1107 C1108	M1061-I1104 HydrophobicContact CB-CD1 4.13Å; M1061-I1104 HydrophobicContact CB-CG1 3.86Å; M1061-I1104 HydrophobicContact CE-CD1 4.42Å; M1061-I1104 HydrophobicContact CE-CG1 3.93Å; M1061-I1104 HydrophobicContact SD-CG1 4.43Å; F1062-I1104 HydrophobicContact CB-CD1 4.08Å; F1062-I1104 HydrophobicContact CD2-CD1 4.39Å; I1087-I1104 HydrophobicContact CD1-CG2 4.44Å; I1087-I1104 HydrophobicContact CG1-CG2 4.37Å; F1092-I1104 HydrophobicContact CE1-CB 3.99Å; F1092-I1104 HydrophobicContact CE1-CD1 4.09Å; F1092-I1104 HydrophobicContact CE1-CG2 3.79Å; F1092-I1104 HydrophobicContact CZ-CB 4.34Å; F1092-I1104 HydrophobicContact CZ-CG2 3.8Å; I1096-I1104 HydrophobicContact CG2-CD1 4.18Å; A1100-I1104 VanDerWaalsContact O-CG1 3.31Å; A1100-I1104 WeakPolarHBondContact O-CG1 3.39Å; A1100-I1104 PolarHBondContact O-N 3.26Å; I1104-K1106 VanDerWaalsContact C-N 3.25Å; I1104-K1106 PolarHBondContact O-N 2.76Å; I1104-L1107 PolarHBondContact O-N 3.46Å; I1104-C1108 WeakPolarHBondContact O-CB 3.4Å; I1104-C1108 PolarHBondContact O-N 2.87Å
1105	K	97.3	Very high	93.2	Very high	66 Å²	66	41.9 Å²	41.9	29%	0.287	21%	0.213	S	C	.	.	H	α-helix	trans	-71.1	-12.4	177	-69.6	178.8	179.8	-178.4	0	115	I1087 F1092 Q1101 L1103 R1109	I1087-K1105 HydrophobicContact CG2-CG 4.36Å; F1092-K1105 VanDerWaalsContact CD2-CE 3.41Å; F1092-K1105 HydrophobicContact CE2-CD 4.27Å; F1092-K1105 HydrophobicContact CE2-CG 4.11Å; F1092-K1105 HydrophobicContact CZ-CD 4.4Å; F1092-K1105 HydrophobicContact CZ-CG 3.85Å; Q1101-K1105 WeakPolarHBondContact O-CB 3.01Å; Q1101-K1105 WeakPolarHBondContact O-CG 3.14Å; Q1101-K1105 PolarHBondContact O-N 3.38Å; L1103-K1105 VanDerWaalsContact C-N 3.31Å; L1103-K1105 PolarHBondContact O-N 3.46Å; K1105-R1109 PolarHBondContact O-NE 2.88Å
1106	K	94.5	Very high	93	Very high	67 Å²	67	38.4 Å²	38.4	29%	0.291	19%	0.187	S	C	.	.	H	α-helix	trans	-95.1	-28.7	170.9	-71.2	169.4	-178.8	171.3	0	112.3	C1102 L1103 I1104 R1115 L1116 H1129	C1102-K1106 WeakPolarHBondContact O-CD 3Å; C1102-K1106 VanDerWaalsContact O-CG 3.24Å; C1102-K1106 WeakPolarHBondContact O-CG 3.19Å; C1102-K1106 PolarHBondContact O-N 3.11Å; C1102-K1106 WeakPolarHBondContact SG-CE 3.27Å; C1102-K1106 PolarHBondContact SG-NZ 3.4Å; C1102-K1106 VanDerWaalsContact SG-NZ 3.45Å; L1103-K1106 CarbonylContact O-C 3.52Å; L1103-K1106 WeakPolarHBondContact O-CA 3.38Å; L1103-K1106 PolarHBondContact O-N 3.02Å; I1104-K1106 VanDerWaalsContact C-N 3.25Å; I1104-K1106 PolarHBondContact O-N 2.76Å; K1106-R1115 CarbonylContact O-C 3.22Å; K1106-R1115 WeakPolarHBondContact O-CA 3.26Å; K1106-L1116 HydrophobicContact CB-CB 4.05Å; K1106-L1116 HydrophobicContact CB-CD2 4.37Å; K1106-L1116 HydrophobicContact CD-CD2 4.36Å; K1106-L1116 PolarHBondContact O-N 2.67Å; K1106-H1129 PolarHBondContact NZ-CD2 2.69Å; K1106-H1129 PolarHBondContact NZ-NE2 2.67Å
1107	L	96.9	Very high	92.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-75.9	-51.2	174	-75	172.1	0	0	0	111.1	F1054 L1057 M1061 L1103 I1104 R1109 R1115 L1116 V1126	F1054-L1107 HydrophobicContact CB-CD2 4.06Å; F1054-L1107 WeakPolarHBondContact O-CB 3.45Å; L1057-L1107 HydrophobicContact CD2-CD1 4.15Å; L1057-L1107 HydrophobicContact CD2-CD2 4.22Å; L1057-L1107 HydrophobicContact CG-CD1 4.04Å; M1061-L1107 HydrophobicContact SD-CD1 3.7Å; L1103-L1107 HydrophobicContact CD1-CD1 3.9Å; L1103-L1107 HydrophobicContact CD1-CG 3.91Å; L1103-L1107 HydrophobicContact CG-CD1 3.86Å; L1103-L1107 HydrophobicContact CG-CG 4.36Å; L1103-L1107 WeakPolarHBondContact O-CG 3.32Å; L1103-L1107 PolarHBondContact O-N 3.34Å; I1104-L1107 PolarHBondContact O-N 3.46Å; L1107-R1109 PolarHBondContact O-N 2.87Å; L1107-R1115 VanDerWaalsContact O-CD 3.23Å; L1107-R1115 WeakPolarHBondContact O-CD 3.33Å; L1107-R1115 WeakPolarHBondContact O-CG 3.2Å; L1107-L1116 HydrophobicContact CD2-CB 4.32Å; L1107-V1126 HydrophobicContact CD2-CG2 4.13Å
1108	C	97.1	Very high	91.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-83.1	46.9	178.4	-56.4	0	0	0	0	112.7	W1055 I1087 I1104	W1055-C1108 HydrophobicContact CD2-CB 4.28Å; W1055-C1108 VanDerWaalsContact CE3-CA 3.45Å; W1055-C1108 HydrophobicContact CE3-CB 3.85Å; W1055-C1108 HydrophobicContact CH2-CB 4.29Å; W1055-C1108 HydrophobicContact CZ3-CB 3.85Å; W1055-C1108 WeakPolarHBondContact CZ3-O 3.47Å; I1087-C1108 HydrophobicContact CB-CB 3.82Å; I1087-C1108 HydrophobicContact CD1-CB 4.42Å; I1087-C1108 HydrophobicContact CG1-CB 3.94Å; I1087-C1108 HydrophobicContact CG2-CB 3.97Å; I1087-C1108 WeakPolarHBondContact CG2-O 3.49Å; I1104-C1108 WeakPolarHBondContact O-CB 3.4Å; I1104-C1108 PolarHBondContact O-N 2.87Å
1109	R	91.7	Very high	89.8	Confident	69 Å²	69	27.4 Å²	27.4	26%	0.26	14%	0.14	S	C	.	.			trans	-79.2	138.6	169.3	-75.9	-65.6	-175.1	119.5	0.5	110.7	K1105 L1107 Q1114 R1115	K1105-R1109 PolarHBondContact O-NE 2.88Å; L1107-R1109 PolarHBondContact O-N 2.87Å; R1109-Q1114 HydrophobicContact CB-CB 4.24Å; R1109-R1115 HydrophobicContact CB-CG 3.98Å; R1109-R1115 PolarHBondContact O-NE 2.98Å; R1109-R1115 PolarHBondContact O-NH2 2.96Å
1110	D	88	Confident	87.9	Confident	64 Å²	64	28 Å²	28	34%	0.342	14%	0.14	S	C	.	.	S	Bend	trans	-68.7	-39	-174.2	-41.9	-69.8	0	0	0	111.4	G1086 P1112	G1086-D1110 WeakPolarHBondContact CA-OD1 3.43Å; D1110-P1112 WeakPolarHBondContact O-CD 3.37Å
1111	A	82.8	Confident	86.2	Confident	33 Å²	33	31.1 Å²	31.1	27%	0.273	16%	0.161	S	C	.	.	S	Bend	trans	-78.2	116.4	170.7	0	0	0	0	0	110.7	A1113 Q1114	A1111-A1113 PolarHBondContact O-N 2.99Å; A1111-Q1114 HydrophobicContact CB-CB 4.21Å; A1111-Q1114 HydrophobicContact CB-CG 3.89Å; A1111-Q1114 WeakPolarHBondContact O-CB 3.48Å; A1111-Q1114 PolarHBondContact O-N 2.9Å
1112	P	87.6	Confident	85	Confident	18 Å²	18	29.9 Å²	29.9	12%	0.117	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-64.5	-38.5	-166.8	-24.2	34.5	0	0	0	114.7	E1041 T1051 D1110 Q1114 R1115 A1118	E1041-P1112 HydrophobicContact CB-CG 4.09Å; E1041-P1112 VanDerWaalsContact CD-CG 3.47Å; E1041-P1112 HydrophobicContact CG-CG 3.86Å; E1041-P1112 WeakPolarHBondContact OE1-CG 3.43Å; T1051-P1112 VanDerWaalsContact OG1-CB 3.3Å; T1051-P1112 WeakPolarHBondContact OG1-CB 3.06Å; D1110-P1112 WeakPolarHBondContact O-CD 3.37Å; P1112-Q1114 VanDerWaalsContact C-N 3.25Å; P1112-Q1114 PolarHBondContact O-N 2.98Å; P1112-R1115 VanDerWaalsContact O-CB 3.3Å; P1112-R1115 WeakPolarHBondContact O-CB 3.37Å; P1112-R1115 VanDerWaalsContact O-CG 3.29Å; P1112-R1115 WeakPolarHBondContact O-CG 3.31Å; P1112-R1115 PolarHBondContact O-N 2.93Å; P1112-R1115 VanDerWaalsContact O-N 3.14Å; P1112-A1118 WeakPolarHBondContact O-CB 3.36Å
1113	A	79.3	Confident	84.5	Confident	8 Å²	8	28 Å²	28	7%	0.066	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-74.4	-11	177.7	0	0	0	0	0	114.2	V750 A1111 R1115	V750-A1113 HydrophobicContact CG1-CB 3.76Å; A1111-A1113 PolarHBondContact O-N 2.99Å; A1113-R1115 VanDerWaalsContact C-N 3.35Å
1114	Q	83.9	Confident	83.7	Confident	28 Å²	28	31.8 Å²	31.8	13%	0.131	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-80	-16.2	169.5	-69	-175.4	-4.2	0	0	112.5	D833 R1109 A1111 P1112 R1119	D833-Q1114 PolarHBondContact OD1-NE2 2.82Å; D833-Q1114 PolarHBondContact OD2-NE2 3.38Å; R1109-Q1114 HydrophobicContact CB-CB 4.24Å; A1111-Q1114 HydrophobicContact CB-CB 4.21Å; A1111-Q1114 HydrophobicContact CB-CG 3.89Å; A1111-Q1114 WeakPolarHBondContact O-CB 3.48Å; A1111-Q1114 PolarHBondContact O-N 2.9Å; P1112-Q1114 VanDerWaalsContact C-N 3.25Å; P1112-Q1114 PolarHBondContact O-N 2.98Å; Q1114-R1119 VanDerWaalsContact O-CZ 3.31Å; Q1114-R1119 PolarHBondContact O-NE 2.82Å; Q1114-R1119 PolarHBondContact O-NH2 2.8Å
1115	R	91.8	Very high	83	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-62.8	139.4	-178	-62.3	-178.1	-177.1	141.9	14.4	111.4	E1041 T1051 K1106 L1107 R1109 P1112 A1113 G1117 A1118 R1119	E1041-R1115 IonicContact OE1-CZ 3.81Å; E1041-R1115 IonicContact OE1-NH1 2.9Å; E1041-R1115 PolarHBondContact OE1-NH1 2.93Å; E1041-R1115 IonicContact OE1-NH2 3.73Å; E1041-R1115 PolarHBondContact OE1-NH2 3.12Å; E1041-R1115 IonicContact OE2-CZ 3.14Å; E1041-R1115 IonicContact OE2-NH1 2.7Å; E1041-R1115 IonicContact OE2-NH2 2.81Å; E1041-R1115 PolarHBondContact OE2-NH2 2.96Å; T1051-R1115 WeakPolarHBondContact O-CD 3.27Å; T1051-R1115 PolarHBondContact O-NH1 3.02Å; K1106-R1115 CarbonylContact O-C 3.22Å; K1106-R1115 WeakPolarHBondContact O-CA 3.26Å; L1107-R1115 VanDerWaalsContact O-CD 3.23Å; L1107-R1115 WeakPolarHBondContact O-CD 3.33Å; L1107-R1115 WeakPolarHBondContact O-CG 3.2Å; R1109-R1115 HydrophobicContact CB-CG 3.98Å; R1109-R1115 PolarHBondContact O-NE 2.98Å; R1109-R1115 PolarHBondContact O-NH2 2.96Å; P1112-R1115 VanDerWaalsContact O-CB 3.3Å; P1112-R1115 WeakPolarHBondContact O-CB 3.37Å; P1112-R1115 VanDerWaalsContact O-CG 3.29Å; P1112-R1115 WeakPolarHBondContact O-CG 3.31Å; P1112-R1115 PolarHBondContact O-N 2.93Å; P1112-R1115 VanDerWaalsContact O-N 3.14Å; A1113-R1115 VanDerWaalsContact C-N 3.35Å; R1115-G1117 PolarHBondContact O-N 3.46Å; R1115-A1118 HydrophobicContact CB-CB 4.34Å; R1115-A1118 VanDerWaalsContact O-CB 3.31Å; R1115-A1118 WeakPolarHBondContact O-CB 3.22Å; R1115-A1118 PolarHBondContact O-N 2.82Å; R1115-R1119 WeakPolarHBondContact O-CG 3.41Å
1116	L	87.2	Confident	82.8	Confident	9 Å²	9	30.6 Å²	30.6	5%	0.047	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	133.2	168.2	-151.4	67.5	0	0	0	108.6	L1103 K1106 L1107 E1125 V1126 H1129	L1103-L1116 HydrophobicContact CD1-CD2 3.39Å; K1106-L1116 HydrophobicContact CB-CB 4.05Å; K1106-L1116 HydrophobicContact CB-CD2 4.37Å; K1106-L1116 HydrophobicContact CD-CD2 4.36Å; K1106-L1116 PolarHBondContact O-N 2.67Å; L1107-L1116 HydrophobicContact CD2-CB 4.32Å; L1116-E1125 HydrophobicContact CD1-CB 3.74Å; L1116-E1125 WeakPolarHBondContact CD2-O 3.25Å; L1116-E1125 HydrophobicContact CG-CB 4.04Å; L1116-V1126 HydrophobicContact CB-CG2 4.22Å; L1116-V1126 HydrophobicContact CD2-CG2 4.27Å; L1116-V1126 HydrophobicContact CG-CG2 4.05Å; L1116-H1129 HydrophobicContact CD2-CB 4.26Å
1117	G	81.1	Confident	82.7	Confident	1 Å²	1	29 Å²	29	1%	0.01	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	98	-31.2	-169.9	0	0	0	0	0	115.1	F1054 R1115 R1119 G1122	F1054-G1117 VanDerWaalsContact CE2-O 3.26Å; F1054-G1117 WeakPolarHBondContact CE2-O 3.48Å; F1054-G1117 WeakPolarHBondContact CZ-O 3.46Å; R1115-G1117 PolarHBondContact O-N 3.46Å; G1117-R1119 VanDerWaalsContact C-N 3.33Å; G1117-G1122 WeakPolarHBondContact CA-O 3.32Å; G1117-G1122 CarbonylContact O-C 3.47Å; G1117-G1122 VanDerWaalsContact O-CA 3.23Å; G1117-G1122 WeakPolarHBondContact O-CA 3.25Å
1118	A	74.8	Confident	82.4	Confident	2 Å²	2	35.1 Å²	35.1	2%	0.017	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-18.6	177.8	0	0	0	0	0	113.9	K746 T1051 P1112 R1115	K746-A1118 PolarHBondContact NZ-O 3.05Å; T1051-A1118 HydrophobicContact CG2-CB 3.4Å; P1112-A1118 WeakPolarHBondContact O-CB 3.36Å; R1115-A1118 HydrophobicContact CB-CB 4.34Å; R1115-A1118 VanDerWaalsContact O-CB 3.31Å; R1115-A1118 WeakPolarHBondContact O-CB 3.22Å; R1115-A1118 PolarHBondContact O-N 2.82Å
1119	R	66.1	Low	82.4	Confident	41 Å²	41	35.9 Å²	35.9	16%	0.155	19%	0.191	C	C	.	.	S	Bend	trans	-73.7	-172.9	-164.8	-61.1	-177.4	169.6	-146.5	-5.7	113.3	V839 Q1114 R1115 G1117 S1121 G1122 E1125	V839-R1119 HydrophobicContact CG1-CB 3.72Å; V839-R1119 HydrophobicContact CG1-CG 3.58Å; V839-R1119 HydrophobicContact CG2-CG 4.22Å; Q1114-R1119 VanDerWaalsContact O-CZ 3.31Å; Q1114-R1119 PolarHBondContact O-NE 2.82Å; Q1114-R1119 PolarHBondContact O-NH2 2.8Å; R1115-R1119 WeakPolarHBondContact O-CG 3.41Å; G1117-R1119 VanDerWaalsContact C-N 3.33Å; R1119-S1121 PolarHBondContact O-N 2.86Å; R1119-G1122 PolarHBondContact O-N 3.3Å; R1119-G1122 VanDerWaalsContact O-N 3.15Å; R1119-E1125 VanDerWaalsContact CB-CD 3.45Å; R1119-E1125 WeakPolarHBondContact CB-OE1 3.48Å; R1119-E1125 VanDerWaalsContact CB-OE2 3.29Å; R1119-E1125 WeakPolarHBondContact CB-OE2 3.46Å; R1119-E1125 WeakPolarHBondContact CD-OE2 3.39Å
1120	K	56.5	Low	82.6	Confident	84 Å²	84	34.8 Å²	34.8	37%	0.365	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-47.6	-178.1	-97.4	173.4	-166.8	179.3	0	112.6	V839 L840 D843 G1122	V839-K1120 WeakPolarHBondContact O-CD 3.35Å; V839-K1120 WeakPolarHBondContact O-CE 3.43Å; V839-K1120 WeakPolarHBondContact O-CG 3.33Å; L840-K1120 WeakPolarHBondContact O-CE 3.35Å; D843-K1120 PolarHBondContact O-NZ 3.24Å; D843-K1120 IonicContact OD2-NZ 2.59Å; D843-K1120 PolarHBondContact OD2-NZ 2.88Å; K1120-G1122 PolarHBondContact O-N 2.87Å
1121	S	62.6	Low	83.1	Confident	65 Å²	65	31.8 Å²	31.8	46%	0.455	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	5.8	-177.3	-6.3	0	0	0	0	112.8	R1119 I1124 E1125	R1119-S1121 PolarHBondContact O-N 2.86Å; S1121-I1124 WeakPolarHBondContact O-CB 3.36Å; S1121-I1124 PolarHBondContact O-N 3.31Å; S1121-E1125 WeakPolarHBondContact CB-OE1 3.44Å; S1121-E1125 PolarHBondContact N-OE1 3.33Å; S1121-E1125 VanDerWaalsContact OG-CG 3.31Å; S1121-E1125 WeakPolarHBondContact OG-CG 3.29Å; S1121-E1125 PolarHBondContact OG-OE1 3.47Å
1122	G	72.8	Confident	83.8	Confident	20 Å²	20	30.6 Å²	30.6	21%	0.206	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	-144.1	-178.4	0	0	0	0	0	112.8	G1117 R1119 K1120 I1124 E1125	G1117-G1122 WeakPolarHBondContact CA-O 3.32Å; G1117-G1122 CarbonylContact O-C 3.47Å; G1117-G1122 VanDerWaalsContact O-CA 3.23Å; G1117-G1122 WeakPolarHBondContact O-CA 3.25Å; R1119-G1122 PolarHBondContact O-N 3.3Å; R1119-G1122 VanDerWaalsContact O-N 3.15Å; K1120-G1122 PolarHBondContact O-N 2.87Å; G1122-I1124 PolarHBondContact O-N 3.39Å; G1122-I1124 VanDerWaalsContact O-N 3.15Å; G1122-E1125 PolarHBondContact O-N 3.27Å
1123	I	85.6	Confident	84.2	Confident	13 Å²	13	36.4 Å²	36.4	7%	0.067	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.8	-179.2	-156.7	172.2	0	0	0	114.2	V982 L985 N986 F1054 E1125 V1126 K1127	V982-I1123 HydrophobicContact CG1-CD1 4.01Å; V982-I1123 HydrophobicContact CG1-CG1 4.13Å; V982-I1123 VanDerWaalsContact O-CD1 3.22Å; V982-I1123 WeakPolarHBondContact O-CD1 3.3Å; L985-I1123 HydrophobicContact CB-CD1 4Å; N986-I1123 HydrophobicContact CB-CD1 4.05Å; N986-I1123 HydrophobicContact CB-CG2 3.77Å; N986-I1123 WeakPolarHBondContact OD1-CG2 3.1Å; F1054-I1123 HydrophobicContact CE1-CB 4.25Å; F1054-I1123 HydrophobicContact CE1-CD1 3.76Å; F1054-I1123 HydrophobicContact CE1-CG1 3.8Å; F1054-I1123 HydrophobicContact CZ-CB 4.35Å; F1054-I1123 HydrophobicContact CZ-CG1 4.39Å; I1123-E1125 PolarHBondContact O-N 3.29Å; I1123-V1126 HydrophobicContact CG1-CB 4.24Å; I1123-V1126 HydrophobicContact CG1-CG2 4.18Å; I1123-V1126 WeakPolarHBondContact O-CB 3.35Å; I1123-V1126 PolarHBondContact O-N 3.45Å; I1123-K1127 PolarHBondContact O-N 3Å
1124	I	81.6	Confident	84.9	Confident	80 Å²	80	40.1 Å²	40.1	41%	0.41	23%	0.234	S	C	.	.	H	α-helix	trans	-61.7	-31	174	-55.1	174.5	0	0	0	110.4	S1121 G1122 V1126 K1127 N1128	S1121-I1124 WeakPolarHBondContact O-CB 3.36Å; S1121-I1124 PolarHBondContact O-N 3.31Å; G1122-I1124 PolarHBondContact O-N 3.39Å; G1122-I1124 VanDerWaalsContact O-N 3.15Å; I1124-V1126 PolarHBondContact O-N 3.21Å; I1124-K1127 PolarHBondContact O-N 2.9Å; I1124-N1128 WeakPolarHBondContact O-CB 2.94Å; I1124-N1128 PolarHBondContact O-N 3.47Å
1125	E	84.5	Confident	85.6	Confident	40 Å²	40	40.3 Å²	40.3	19%	0.187	23%	0.234	C	C	.	.	H	α-helix	trans	-67.5	-23.2	175.3	-54.7	-174.5	-155.3	0	0	113.1	L1116 R1119 S1121 G1122 I1123	L1116-E1125 HydrophobicContact CD1-CB 3.74Å; L1116-E1125 WeakPolarHBondContact CD2-O 3.25Å; L1116-E1125 HydrophobicContact CG-CB 4.04Å; R1119-E1125 VanDerWaalsContact CB-CD 3.45Å; R1119-E1125 WeakPolarHBondContact CB-OE1 3.48Å; R1119-E1125 VanDerWaalsContact CB-OE2 3.29Å; R1119-E1125 WeakPolarHBondContact CB-OE2 3.46Å; R1119-E1125 WeakPolarHBondContact CD-OE2 3.39Å; S1121-E1125 WeakPolarHBondContact CB-OE1 3.44Å; S1121-E1125 PolarHBondContact N-OE1 3.33Å; S1121-E1125 VanDerWaalsContact OG-CG 3.31Å; S1121-E1125 WeakPolarHBondContact OG-CG 3.29Å; S1121-E1125 PolarHBondContact OG-OE1 3.47Å; G1122-E1125 PolarHBondContact O-N 3.27Å; I1123-E1125 PolarHBondContact O-N 3.29Å
1126	V	93.1	Very high	85.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-74.9	-47.6	171.3	-176.7	0	0	0	0	109.5	V982 L1057 L1103 L1107 L1116 I1123 I1124 N1128 H1129 F1132	V982-V1126 HydrophobicContact CG2-CG1 3.88Å; L1057-V1126 HydrophobicContact CD2-CG1 4.28Å; L1103-V1126 HydrophobicContact CD1-CG1 4.47Å; L1107-V1126 HydrophobicContact CD2-CG2 4.13Å; L1116-V1126 HydrophobicContact CB-CG2 4.22Å; L1116-V1126 HydrophobicContact CD2-CG2 4.27Å; L1116-V1126 HydrophobicContact CG-CG2 4.05Å; I1123-V1126 HydrophobicContact CG1-CB 4.24Å; I1123-V1126 HydrophobicContact CG1-CG2 4.18Å; I1123-V1126 WeakPolarHBondContact O-CB 3.35Å; I1123-V1126 PolarHBondContact O-N 3.45Å; I1124-V1126 PolarHBondContact O-N 3.21Å; V1126-N1128 VanDerWaalsContact C-N 3.31Å; V1126-N1128 PolarHBondContact O-N 2.96Å; V1126-H1129 VanDerWaalsContact O-CB 3.27Å; V1126-H1129 WeakPolarHBondContact O-CB 3.15Å; V1126-H1129 PolarHBondContact O-N 3.44Å; V1126-H1129 VanDerWaalsContact O-N 3.16Å; V1126-F1132 HydrophobicContact CG1-CE2 4.12Å; V1126-F1132 VanDerWaalsContact O-CD2 3.26Å; V1126-F1132 WeakPolarHBondContact O-CD2 3.49Å
1127	K	92.2	Very high	86.1	Confident	34 Å²	34	45.1 Å²	45.1	15%	0.148	26%	0.258	C	S	.	.	H	α-helix	trans	-60.8	-37.9	178.3	-60.7	-167	-176.7	-173.3	0	113.5	V982 E983 I1123 I1124 H1129 F1132 W1137	V982-K1127 HydrophobicContact CG1-CG 3.85Å; E983-K1127 WeakPolarHBondContact OE1-CE 3.43Å; E983-K1127 IonicContact OE1-NZ 3.01Å; E983-K1127 PolarHBondContact OE1-NZ 2.98Å; E983-K1127 WeakPolarHBondContact OE2-CE 3.17Å; E983-K1127 IonicContact OE2-NZ 3.88Å; E983-K1127 PolarHBondContact OE2-NZ 3.32Å; I1123-K1127 PolarHBondContact O-N 3Å; I1124-K1127 PolarHBondContact O-N 2.9Å; K1127-H1129 VanDerWaalsContact C-N 3.27Å; K1127-H1129 PolarHBondContact O-N 2.98Å; K1127-F1132 WeakPolarHBondContact O-CB 3.45Å; K1127-W1137 HydrophobicContact CB-CD2 4.4Å; K1127-W1137 HydrophobicContact CB-CH2 4.39Å; K1127-W1137 HydrophobicContact CB-CZ2 3.79Å; K1127-W1137 HydrophobicContact CD-CD2 4.04Å; K1127-W1137 HydrophobicContact CD-CE3 4.01Å; K1127-W1137 HydrophobicContact CD-CH2 4.46Å; K1127-W1137 HydrophobicContact CD-CZ2 4.46Å; K1127-W1137 HydrophobicContact CD-CZ3 4.23Å; K1127-W1137 HydrophobicContact CG-CD2 4.24Å; K1127-W1137 HydrophobicContact CG-CE3 4.29Å; K1127-W1137 HydrophobicContact CG-CH2 3.86Å; K1127-W1137 HydrophobicContact CG-CZ2 3.77Å; K1127-W1137 HydrophobicContact CG-CZ3 4.11Å; K1127-W1137 PolarHBondContact O-NE1 3.39Å
1128	N	91.2	Very high	86.7	Confident	128 Å²	128	51.1 Å²	51.1	68%	0.684	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	6.4	-179.6	-65.6	3	0	0	0	113.1	I1124 V1126	I1124-N1128 WeakPolarHBondContact O-CB 2.94Å; I1124-N1128 PolarHBondContact O-N 3.47Å; V1126-N1128 VanDerWaalsContact C-N 3.31Å; V1126-N1128 PolarHBondContact O-N 2.96Å
1129	H	95.8	Very high	87.7	Confident	16 Å²	16	51.2 Å²	51.2	7%	0.074	29%	0.29	C	S	.	.	S	Bend	trans	-71.6	142.3	176.7	-166.5	-91.9	0	0	0	110.9	N1099 L1103 K1106 L1116 V1126 K1127 W1131 F1132	N1099-H1129 PolarHBondContact O-CE1 2.84Å; L1103-H1129 HydrophobicContact CD1-CB 4.14Å; L1103-H1129 HydrophobicContact CD2-CB 4.31Å; K1106-H1129 PolarHBondContact NZ-CD2 2.69Å; K1106-H1129 PolarHBondContact NZ-NE2 2.67Å; L1116-H1129 HydrophobicContact CD2-CB 4.26Å; V1126-H1129 VanDerWaalsContact O-CB 3.27Å; V1126-H1129 WeakPolarHBondContact O-CB 3.15Å; V1126-H1129 PolarHBondContact O-N 3.44Å; V1126-H1129 VanDerWaalsContact O-N 3.16Å; K1127-H1129 VanDerWaalsContact C-N 3.27Å; K1127-H1129 PolarHBondContact O-N 2.98Å; H1129-W1131 PolarHBondContact ND1-N 2.79Å; H1129-W1131 PolarHBondContact O-N 2.78Å; H1129-F1132 PolarHBondContact O-N 2.93Å
1130	A	97	Very high	89.1	Confident	46 Å²	46	49.2 Å²	49.2	38%	0.38	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	5.9	180	0	0	0	0	0	115.9	N1099	N1099-A1130 PolarHBondContact ND2-O 2.62Å
1131	W	98	Very high	90.7	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.008	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-28.7	166.2	-171.9	58.6	0	0	0	112.1	D971 A974 R975 M1061 L1065 N1099 A1100 L1103 H1129 E1133	D971-W1131 PolarHBondContact OD1-NE1 2.98Å; D971-W1131 PolarHBondContact OD2-NE1 2.84Å; A974-W1131 HydrophobicContact CB-CH2 4.48Å; A974-W1131 HydrophobicContact CB-CZ2 4.4Å; R975-W1131 HydrophobicContact CB-CE3 4.5Å; R975-W1131 HydrophobicContact CB-CH2 3.76Å; R975-W1131 HydrophobicContact CB-CZ2 3.75Å; R975-W1131 HydrophobicContact CB-CZ3 4.12Å; R975-W1131 WeakPolarHBondContact CD-O 3.24Å; R975-W1131 HydrophobicContact CG-CD2 4.35Å; R975-W1131 HydrophobicContact CG-CE3 4.15Å; R975-W1131 HydrophobicContact CG-CH2 4.28Å; R975-W1131 HydrophobicContact CG-CZ2 4.37Å; R975-W1131 HydrophobicContact CG-CZ3 4.13Å; R975-W1131 PolarHBondContact NE-O 2.86Å; R975-W1131 PolarHBondContact NH1-O 3.05Å; R975-W1131 VanDerWaalsContact NH1-O 3.14Å; M1061-W1131 HydrophobicContact CE-CD2 3.84Å; M1061-W1131 HydrophobicContact CE-CE3 3.52Å; M1061-W1131 HydrophobicContact CE-CH2 3.58Å; M1061-W1131 HydrophobicContact CE-CZ2 3.97Å; M1061-W1131 HydrophobicContact CE-CZ3 3.37Å; M1061-W1131 HydrophobicContact CG-CH2 4.23Å; M1061-W1131 HydrophobicContact CG-CZ3 4.22Å; M1061-W1131 HydrophobicContact SD-CE3 4.24Å; M1061-W1131 HydrophobicContact SD-CH2 4.3Å; M1061-W1131 HydrophobicContact SD-CZ3 3.81Å; L1065-W1131 HydrophobicContact CD1-CZ2 4.41Å; N1099-W1131 HydrophobicContact CB-CB 4.15Å; A1100-W1131 HydrophobicContact CB-CG 4.43Å; L1103-W1131 HydrophobicContact CD2-CB 3.96Å; L1103-W1131 HydrophobicContact CD2-CD2 4.22Å; L1103-W1131 HydrophobicContact CD2-CE3 3.61Å; L1103-W1131 HydrophobicContact CD2-CG 4.41Å; L1103-W1131 HydrophobicContact CD2-CZ3 4.41Å; H1129-W1131 PolarHBondContact ND1-N 2.79Å; H1129-W1131 PolarHBondContact O-N 2.78Å; W1131-E1133 VanDerWaalsContact C-N 3.31Å
1132	F	97.8	Very high	92.1	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.035	29%	0.293	C	S	.	.	S	Bend	trans	-93.8	15.9	171.1	-63.2	-76.3	0	0	0	112.5	R975 A979 V982 L1103 V1126 K1127 H1129 G1134 F1135 W1137	R975-F1132 HydrophobicContact CG-CD1 3.54Å; R975-F1132 HydrophobicContact CG-CE1 3.66Å; A979-F1132 HydrophobicContact CB-CE1 3.98Å; V982-F1132 HydrophobicContact CG2-CZ 4.48Å; L1103-F1132 HydrophobicContact CD2-CD2 4.2Å; L1103-F1132 HydrophobicContact CD2-CE2 3.75Å; V1126-F1132 HydrophobicContact CG1-CE2 4.12Å; V1126-F1132 VanDerWaalsContact O-CD2 3.26Å; V1126-F1132 WeakPolarHBondContact O-CD2 3.49Å; K1127-F1132 WeakPolarHBondContact O-CB 3.45Å; H1129-F1132 PolarHBondContact O-N 2.93Å; F1132-G1134 PolarHBondContact O-N 2.82Å; F1132-F1135 HydrophobicContact CB-CB 4.1Å; F1132-F1135 HydrophobicContact CD1-CB 4.32Å; F1132-F1135 HydrophobicContact CD1-CD1 4.41Å; F1132-F1135 HydrophobicContact CD1-CG 4.19Å; F1132-F1135 VanDerWaalsContact O-CB 3.24Å; F1132-F1135 WeakPolarHBondContact O-CB 3.15Å; F1132-F1135 PolarHBondContact O-N 2.89Å; F1132-W1137 HydrophobicContact CB-CZ2 3.95Å; F1132-W1137 HydrophobicContact CD1-CH2 4.04Å; F1132-W1137 AromaticContact CD1-CZ2 3.47Å; F1132-W1137 HydrophobicContact CD1-CZ2 3.47Å; F1132-W1137 VanDerWaalsContact CD1-CZ2 3.47Å; F1132-W1137 AromaticContact CD2-CZ2 3.89Å; F1132-W1137 HydrophobicContact CD2-CZ2 3.89Å; F1132-W1137 AromaticContact CE1-CH2 3.89Å; F1132-W1137 HydrophobicContact CE1-CH2 3.89Å; F1132-W1137 AromaticContact CE1-CZ2 3.81Å; F1132-W1137 HydrophobicContact CE1-CZ2 3.81Å; F1132-W1137 HydrophobicContact CE2-CH2 4.41Å; F1132-W1137 HydrophobicContact CE2-CZ2 4.18Å; F1132-W1137 HydrophobicContact CG-CH2 4.38Å; F1132-W1137 AromaticContact CG-CZ2 3.52Å; F1132-W1137 HydrophobicContact CG-CZ2 3.52Å; F1132-W1137 HydrophobicContact CZ-CH2 4.08Å; F1132-W1137 HydrophobicContact CZ-CZ2 4.14Å
1133	E	95.9	Very high	93.2	Very high	140 Å²	140	51.5 Å²	51.5	65%	0.654	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	127.9	171.5	-171.3	169	-169.4	0	0	109.7	R975 W1131 F1135	R975-E1133 PolarHBondContact NH1-O 2.84Å; W1131-E1133 VanDerWaalsContact C-N 3.31Å; E1133-F1135 VanDerWaalsContact C-N 3.27Å; E1133-F1135 PolarHBondContact O-N 2.8Å
1134	G	94.2	Very high	93.7	Very high	86 Å²	86	56.1 Å²	56.1	89%	0.887	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	5.8	-172.8	0	0	0	0	0	115.9	F1132	F1132-G1134 PolarHBondContact O-N 2.82Å
1135	F	97.2	Very high	94.4	Very high	31 Å²	31	54 Å²	54	14%	0.136	31%	0.311	C	S	.	.			trans	-82.7	126.6	177.8	-171.7	-90.9	0	0	0	111.9	R975 F976 A979 F1132 E1133 W1137 L1140 I1145	R975-F1135 HydrophobicContact CG-CD2 4.05Å; F976-F1135 HydrophobicContact CD2-CZ 4.48Å; A979-F1135 HydrophobicContact CB-CD1 4.29Å; A979-F1135 HydrophobicContact CB-CE1 3.44Å; A979-F1135 VanDerWaalsContact CB-CE1 3.44Å; A979-F1135 HydrophobicContact CB-CE2 4.19Å; A979-F1135 HydrophobicContact CB-CZ 3.38Å; F1132-F1135 HydrophobicContact CB-CB 4.1Å; F1132-F1135 HydrophobicContact CD1-CB 4.32Å; F1132-F1135 HydrophobicContact CD1-CD1 4.41Å; F1132-F1135 HydrophobicContact CD1-CG 4.19Å; F1132-F1135 VanDerWaalsContact O-CB 3.24Å; F1132-F1135 WeakPolarHBondContact O-CB 3.15Å; F1132-F1135 PolarHBondContact O-N 2.89Å; E1133-F1135 VanDerWaalsContact C-N 3.27Å; E1133-F1135 PolarHBondContact O-N 2.8Å; F1135-W1137 AromaticContact CD1-CD2 3.85Å; F1135-W1137 HydrophobicContact CD1-CD2 3.85Å; F1135-W1137 AromaticContact CD1-CE2 3.79Å; F1135-W1137 HydrophobicContact CD1-CE3 4.4Å; F1135-W1137 HydrophobicContact CD1-CG 4Å; F1135-W1137 HydrophobicContact CD1-CZ2 4.29Å; F1135-W1137 AromaticContact CD1-NE1 3.91Å; F1135-W1137 HydrophobicContact CE1-CD2 4.12Å; F1135-W1137 HydrophobicContact CE1-CE3 4.23Å; F1135-W1137 HydrophobicContact CE1-CG 4.47Å; F1135-W1137 PolarHBondContact O-N 2.89Å; F1135-W1137 VanDerWaalsContact O-N 3.11Å; F1135-L1140 HydrophobicContact CE1-CB 4.17Å; F1135-L1140 HydrophobicContact CE1-CD2 3.88Å; F1135-L1140 HydrophobicContact CZ-CB 4.45Å; F1135-L1140 HydrophobicContact CZ-CD2 4.11Å; F1135-I1145 HydrophobicContact CE1-CD1 4.49Å; F1135-I1145 HydrophobicContact CE2-CD1 3.94Å; F1135-I1145 HydrophobicContact CZ-CD1 3.89Å
1136	D	96.8	Very high	94.9	Very high	76 Å²	76	60.5 Å²	60.5	41%	0.406	34%	0.342	S	S	.	.			trans	-83	87.2	179.7	-174.8	10.7	0	0	0	112.3	N1138 G1139 L1140 I1145	D1136-N1138 PolarHBondContact O-N 2.84Å; D1136-N1138 WeakPolarHBondContact OD1-CB 3.47Å; D1136-N1138 PolarHBondContact OD1-N 3.43Å; D1136-G1139 PolarHBondContact O-N 2.95Å; D1136-G1139 PolarHBondContact OD1-N 2.86Å; D1136-G1139 VanDerWaalsContact OD2-CA 3.28Å; D1136-G1139 WeakPolarHBondContact OD2-CA 3.24Å; D1136-G1139 PolarHBondContact OD2-N 3.28Å; D1136-L1140 PolarHBondContact O-N 2.85Å; D1136-I1145 HydrophobicContact CB-CD1 4.41Å
1137	W	94	Very high	95.1	Very high	35 Å²	35	61.5 Å²	61.5	13%	0.133	35%	0.347	C	S	.	.	H	α-helix	trans	-61.8	-29.6	172.6	-67	97.9	0	0	0	113.4	A979 V982 E983 K1127 F1132 F1135 L1140 I1141	A979-W1137 HydrophobicContact CB-CE3 4.39Å; A979-W1137 HydrophobicContact CB-CH2 3.72Å; A979-W1137 HydrophobicContact CB-CZ3 3.67Å; V982-W1137 HydrophobicContact CB-CH2 3.92Å; V982-W1137 HydrophobicContact CB-CZ3 4.11Å; V982-W1137 HydrophobicContact CG1-CH2 3.6Å; V982-W1137 HydrophobicContact CG1-CZ3 3.78Å; E983-W1137 HydrophobicContact CG-CE3 4.22Å; E983-W1137 HydrophobicContact CG-CZ3 4.15Å; K1127-W1137 HydrophobicContact CB-CD2 4.4Å; K1127-W1137 HydrophobicContact CB-CH2 4.39Å; K1127-W1137 HydrophobicContact CB-CZ2 3.79Å; K1127-W1137 HydrophobicContact CD-CD2 4.04Å; K1127-W1137 HydrophobicContact CD-CE3 4.01Å; K1127-W1137 HydrophobicContact CD-CH2 4.46Å; K1127-W1137 HydrophobicContact CD-CZ2 4.46Å; K1127-W1137 HydrophobicContact CD-CZ3 4.23Å; K1127-W1137 HydrophobicContact CG-CD2 4.24Å; K1127-W1137 HydrophobicContact CG-CE3 4.29Å; K1127-W1137 HydrophobicContact CG-CH2 3.86Å; K1127-W1137 HydrophobicContact CG-CZ2 3.77Å; K1127-W1137 HydrophobicContact CG-CZ3 4.11Å; K1127-W1137 PolarHBondContact O-NE1 3.39Å; F1132-W1137 HydrophobicContact CB-CZ2 3.95Å; F1132-W1137 HydrophobicContact CD1-CH2 4.04Å; F1132-W1137 AromaticContact CD1-CZ2 3.47Å; F1132-W1137 HydrophobicContact CD1-CZ2 3.47Å; F1132-W1137 VanDerWaalsContact CD1-CZ2 3.47Å; F1132-W1137 AromaticContact CD2-CZ2 3.89Å; F1132-W1137 HydrophobicContact CD2-CZ2 3.89Å; F1132-W1137 AromaticContact CE1-CH2 3.89Å; F1132-W1137 HydrophobicContact CE1-CH2 3.89Å; F1132-W1137 AromaticContact CE1-CZ2 3.81Å; F1132-W1137 HydrophobicContact CE1-CZ2 3.81Å; F1132-W1137 HydrophobicContact CE2-CH2 4.41Å; F1132-W1137 HydrophobicContact CE2-CZ2 4.18Å; F1132-W1137 HydrophobicContact CG-CH2 4.38Å; F1132-W1137 AromaticContact CG-CZ2 3.52Å; F1132-W1137 HydrophobicContact CG-CZ2 3.52Å; F1132-W1137 HydrophobicContact CZ-CH2 4.08Å; F1132-W1137 HydrophobicContact CZ-CZ2 4.14Å; F1135-W1137 AromaticContact CD1-CD2 3.85Å; F1135-W1137 HydrophobicContact CD1-CD2 3.85Å; F1135-W1137 AromaticContact CD1-CE2 3.79Å; F1135-W1137 HydrophobicContact CD1-CE3 4.4Å; F1135-W1137 HydrophobicContact CD1-CG 4Å; F1135-W1137 HydrophobicContact CD1-CZ2 4.29Å; F1135-W1137 AromaticContact CD1-NE1 3.91Å; F1135-W1137 HydrophobicContact CE1-CD2 4.12Å; F1135-W1137 HydrophobicContact CE1-CE3 4.23Å; F1135-W1137 HydrophobicContact CE1-CG 4.47Å; F1135-W1137 PolarHBondContact O-N 2.89Å; F1135-W1137 VanDerWaalsContact O-N 3.11Å; W1137-L1140 HydrophobicContact CE3-CD2 4.21Å; W1137-L1140 HydrophobicContact CZ3-CD2 4.35Å; W1137-I1141 WeakPolarHBondContact O-CG1 3.46Å; W1137-I1141 PolarHBondContact O-N 3.47Å; W1137-I1141 VanDerWaalsContact O-N 3.15Å
1138	N	92.2	Very high	95.2	Very high	127 Å²	127	62.3 Å²	62.3	68%	0.679	36%	0.356	S	S	*	.	H	α-helix	trans	-75.1	-45.6	179.8	-66.5	-34.9	0	0	0	110.3	D1136 L1140 I1141 A1142	D1136-N1138 PolarHBondContact O-N 2.84Å; D1136-N1138 WeakPolarHBondContact OD1-CB 3.47Å; D1136-N1138 PolarHBondContact OD1-N 3.43Å; N1138-L1140 VanDerWaalsContact C-N 3.27Å; N1138-L1140 PolarHBondContact O-N 2.82Å; N1138-I1141 PolarHBondContact O-N 2.87Å; N1138-A1142 VanDerWaalsContact O-CB 3.3Å; N1138-A1142 WeakPolarHBondContact O-CB 3.43Å; N1138-A1142 PolarHBondContact O-N 3.49Å
1139	G	96	Very high	95.4	Very high	3 Å²	3	58.6 Å²	58.6	3%	0.031	34%	0.336	C	S	.	.	H	α-helix	trans	-64.9	-28.6	173.6	0	0	0	0	0	113.5	D1136 R1143 T1144 I1145	D1136-G1139 PolarHBondContact O-N 2.95Å; D1136-G1139 PolarHBondContact OD1-N 2.86Å; D1136-G1139 VanDerWaalsContact OD2-CA 3.28Å; D1136-G1139 WeakPolarHBondContact OD2-CA 3.24Å; D1136-G1139 PolarHBondContact OD2-N 3.28Å; G1139-R1143 CarbonylContact O-C 3.59Å; G1139-R1143 PolarHBondContact O-N 2.81Å; G1139-R1143 VanDerWaalsContact O-N 3.11Å; G1139-T1144 VanDerWaalsContact CA-OG1 3.26Å; G1139-T1144 WeakPolarHBondContact CA-OG1 3.5Å; G1139-T1144 PolarHBondContact O-N 2.68Å; G1139-T1144 PolarHBondContact O-OG1 2.85Å; G1139-I1145 PolarHBondContact O-N 2.93Å
1140	L	96.3	Very high	95.3	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-62.1	-56.7	167.6	177.7	63.2	0	0	0	111.1	F933 F976 A979 E983 F1010 F1135 D1136 W1137 N1138 A1142 R1143 I1145	F933-L1140 HydrophobicContact CE1-CD1 4.09Å; F933-L1140 HydrophobicContact CE2-CD1 4.42Å; F933-L1140 HydrophobicContact CE2-CD2 4.49Å; F933-L1140 HydrophobicContact CE2-CG 4.07Å; F933-L1140 HydrophobicContact CZ-CD1 3.7Å; F933-L1140 HydrophobicContact CZ-CG 3.74Å; F976-L1140 HydrophobicContact CE2-CD1 3.91Å; F976-L1140 HydrophobicContact CZ-CD1 4.43Å; A979-L1140 HydrophobicContact CB-CD2 3.57Å; E983-L1140 HydrophobicContact CG-CD2 4.24Å; F1010-L1140 HydrophobicContact CD1-CD1 4.19Å; F1010-L1140 HydrophobicContact CE1-CD1 4.13Å; F1135-L1140 HydrophobicContact CE1-CB 4.17Å; F1135-L1140 HydrophobicContact CE1-CD2 3.88Å; F1135-L1140 HydrophobicContact CZ-CB 4.45Å; F1135-L1140 HydrophobicContact CZ-CD2 4.11Å; D1136-L1140 PolarHBondContact O-N 2.85Å; W1137-L1140 HydrophobicContact CE3-CD2 4.21Å; W1137-L1140 HydrophobicContact CZ3-CD2 4.35Å; N1138-L1140 VanDerWaalsContact C-N 3.27Å; N1138-L1140 PolarHBondContact O-N 2.82Å; L1140-A1142 VanDerWaalsContact C-N 3.27Å; L1140-A1142 PolarHBondContact O-N 2.82Å; L1140-R1143 PolarHBondContact O-N 2.9Å; L1140-I1145 HydrophobicContact CB-CG2 4.26Å; L1140-I1145 HydrophobicContact CD1-CG2 4.28Å
1141	I	89.3	Confident	95.1	Very high	94 Å²	94	61 Å²	61	48%	0.482	35%	0.347	S	S	.	.	H	α-helix	trans	-60.3	-38.1	-179.4	-66.3	166.5	0	0	0	111.4	W1137 N1138 R1143	W1137-I1141 WeakPolarHBondContact O-CG1 3.46Å; W1137-I1141 PolarHBondContact O-N 3.47Å; W1137-I1141 VanDerWaalsContact O-N 3.15Å; N1138-I1141 PolarHBondContact O-N 2.87Å; I1141-R1143 VanDerWaalsContact C-N 3.27Å; I1141-R1143 PolarHBondContact O-N 2.72Å
1142	A	92.5	Very high	94.9	Very high	65 Å²	65	69.4 Å²	69.4	54%	0.537	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-3.3	177.9	0	0	0	0	0	114.5	N1138 L1140 T1144	N1138-A1142 VanDerWaalsContact O-CB 3.3Å; N1138-A1142 WeakPolarHBondContact O-CB 3.43Å; N1138-A1142 PolarHBondContact O-N 3.49Å; L1140-A1142 VanDerWaalsContact C-N 3.27Å; L1140-A1142 PolarHBondContact O-N 2.82Å; A1142-T1144 HydrophobicContact CB-CG2 4.18Å; A1142-T1144 PolarHBondContact O-N 2.95Å
1143	R	95.4	Very high	94.6	Very high	58 Å²	58	71.5 Å²	71.5	22%	0.219	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	27	-172.4	-58	176.7	64.7	104.7	11.8	114.3	E932 D1006 F1010 G1139 L1140 I1141	E932-R1143 HydrophobicContact CG-CG 4.44Å; E932-R1143 IonicContact OE1-CZ 2.89Å; E932-R1143 IonicContact OE1-NH1 2.91Å; E932-R1143 PolarHBondContact OE1-NH1 3.17Å; D1006-R1143 IonicContact OD1-NH2 3.76Å; D1006-R1143 PolarHBondContact OD1-NH2 2.72Å; D1006-R1143 IonicContact OD2-CZ 2.64Å; D1006-R1143 IonicContact OD2-NH1 2.96Å; D1006-R1143 PolarHBondContact OD2-NH1 3.13Å; D1006-R1143 IonicContact OD2-NH2 3.78Å; D1006-R1143 PolarHBondContact OD2-NH2 2.72Å; F1010-R1143 VanDerWaalsContact CD2-NH2 3.28Å; F1010-R1143 HydrophobicContact CE1-CB 4.27Å; F1010-R1143 HydrophobicContact CE1-CG 4.32Å; F1010-R1143 HydrophobicContact CE2-CB 4.1Å; F1010-R1143 HydrophobicContact CE2-CG 4.5Å; F1010-R1143 HydrophobicContact CZ-CB 3.85Å; F1010-R1143 HydrophobicContact CZ-CG 4.32Å; G1139-R1143 CarbonylContact O-C 3.59Å; G1139-R1143 PolarHBondContact O-N 2.81Å; G1139-R1143 VanDerWaalsContact O-N 3.11Å; L1140-R1143 PolarHBondContact O-N 2.9Å; I1141-R1143 VanDerWaalsContact C-N 3.27Å; I1141-R1143 PolarHBondContact O-N 2.72Å
1144	T	96.1	Very high	94.4	Very high	109 Å²	109	69.8 Å²	69.8	67%	0.669	40%	0.398	S	S	*	.			trans	-98.9	-14.7	177.8	55.5	0	0	0	0	113.8	G1139 A1142	G1139-T1144 VanDerWaalsContact CA-OG1 3.26Å; G1139-T1144 WeakPolarHBondContact CA-OG1 3.5Å; G1139-T1144 PolarHBondContact O-N 2.68Å; G1139-T1144 PolarHBondContact O-OG1 2.85Å; A1142-T1144 HydrophobicContact CB-CG2 4.18Å; A1142-T1144 PolarHBondContact O-N 2.95Å
1145	I	96.1	Very high	94.4	Very high	35 Å²	35	67.6 Å²	67.6	18%	0.179	37%	0.37	C	S	.	.	S	Bend	trans	-64.4	143.9	172	-167.3	171	0	0	0	110.7	F976 F1010 F1135 D1136 G1139 L1140 V1147	F976-I1145 HydrophobicContact CE2-CG2 3.85Å; F1010-I1145 HydrophobicContact CE1-CG2 3.88Å; F1010-I1145 HydrophobicContact CZ-CG2 4.19Å; F1135-I1145 HydrophobicContact CE1-CD1 4.49Å; F1135-I1145 HydrophobicContact CE2-CD1 3.94Å; F1135-I1145 HydrophobicContact CZ-CD1 3.89Å; D1136-I1145 HydrophobicContact CB-CD1 4.41Å; G1139-I1145 PolarHBondContact O-N 2.93Å; L1140-I1145 HydrophobicContact CB-CG2 4.26Å; L1140-I1145 HydrophobicContact CD1-CG2 4.28Å; I1145-V1147 PolarHBondContact O-N 3.28Å
1146	Q	95.8	Very high	94	Very high	178 Å²	178	68.6 Å²	68.6	83%	0.832	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-68.2	125.7	174.1	-176.7	175.3	-1.1	0	0	110.7
1147	V	96.5	Very high	93.7	Very high	20 Å²	20	67.4 Å²	67.4	12%	0.121	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-71.3	146.8	172.7	-60	0	0	0	0	111.2	F976 Q1008 F1010 I1145 T1150	F976-V1147 HydrophobicContact CE1-CG1 4.48Å; F976-V1147 HydrophobicContact CZ-CB 4.35Å; F976-V1147 HydrophobicContact CZ-CG1 3.87Å; Q1008-V1147 WeakPolarHBondContact O-CG2 3.4Å; F1010-V1147 HydrophobicContact CD2-CG1 3.72Å; F1010-V1147 HydrophobicContact CE1-CG1 4.32Å; F1010-V1147 HydrophobicContact CE2-CG1 3.47Å; F1010-V1147 VanDerWaalsContact CE2-CG1 3.47Å; F1010-V1147 HydrophobicContact CG-CG1 4.26Å; F1010-V1147 HydrophobicContact CZ-CG1 3.79Å; I1145-V1147 PolarHBondContact O-N 3.28Å; V1147-T1150 VanDerWaalsContact CG2-OG1 3.25Å; V1147-T1150 WeakPolarHBondContact CG2-OG1 3.19Å
1148	P	95.8	Very high	93.6	Very high	51 Å²	51	66.9 Å²	66.9	33%	0.331	37%	0.374	S	S	.	.	S	Bend	trans	-76.2	-31	177.8	30.2	-34.9	0	0	0	112.8	T973 F976 Y977	T973-P1148 HydrophobicContact CG2-CB 4.01Å; T973-P1148 HydrophobicContact CG2-CG 4.08Å; T973-P1148 WeakPolarHBondContact OG1-CB 3.19Å; F976-P1148 HydrophobicContact CB-CG 4.07Å; F976-P1148 HydrophobicContact CD1-CG 3.58Å; F976-P1148 HydrophobicContact CE1-CG 4.27Å; F976-P1148 HydrophobicContact CG-CG 3.94Å; Y977-P1148 HydrophobicContact CE1-CG 4.44Å; Y977-P1148 HydrophobicContact CE2-CG 4.13Å
1149	I	94.8	Very high	93.5	Very high	51 Å²	51	63.3 Å²	63.3	26%	0.262	36%	0.355	S	S	.	.			trans	-136	117.6	179.3	-48.5	178	0	0	0	108.1	L962 F969 T973 Y977	L962-I1149 HydrophobicContact CD2-CD1 4.44Å; L962-I1149 HydrophobicContact CD2-CG2 4.36Å; F969-I1149 HydrophobicContact CE1-CD1 4.2Å; T973-I1149 HydrophobicContact CG2-CD1 4.34Å; Y977-I1149 HydrophobicContact CE2-CD1 4.44Å; Y977-I1149 WeakPolarHBondContact OH-CB 3.5Å
1150	T	94.2	Very high	93.3	Very high	94 Å²	94	67.1 Å²	67.1	58%	0.577	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-95.4	118.4	170.4	-49.7	0	0	0	0	108.9	V1147	V1147-T1150 VanDerWaalsContact CG2-OG1 3.25Å; V1147-T1150 WeakPolarHBondContact CG2-OG1 3.19Å
1151	P	92.8	Very high	93.1	Very high	17 Å²	17	69.3 Å²	69.3	11%	0.11	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-61.2	147.2	175	-22.4	33.6	0	0	0	111.9	L1005 G1009 I1153	L1005-P1151 HydrophobicContact CB-CG 4.38Å; L1005-P1151 HydrophobicContact CD1-CG 4.38Å; G1009-P1151 VanDerWaalsContact CA-CD 3.5Å; P1151-I1153 HydrophobicContact CB-CD1 4.05Å; P1151-I1153 HydrophobicContact CB-CG1 4.3Å
1152	K	92.2	Very high	93.1	Very high	180 Å²	180	66.9 Å²	66.9	78%	0.783	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-87.3	119.5	171.2	-67.7	-178.1	-178.7	178	0	108.3	N1161	K1152-N1161 PolarHBondContact O-ND2 2.88Å
1153	I	92.6	Very high	92.8	Very high	52 Å²	52	67.4 Å²	67.4	27%	0.267	37%	0.373	S	S	.	.			trans	-139.9	118.6	-177.7	-65.6	162.4	0	0	0	107.5	L955 S1007 P1151 S1155 D1158	L955-I1153 HydrophobicContact CB-CD1 3.67Å; L955-I1153 HydrophobicContact CB-CG1 4.3Å; L955-I1153 HydrophobicContact CD1-CG2 4.31Å; S1007-I1153 VanDerWaalsContact CA-CD1 3.46Å; P1151-I1153 HydrophobicContact CB-CD1 4.05Å; P1151-I1153 HydrophobicContact CB-CG1 4.3Å; I1153-S1155 VanDerWaalsContact CG2-O 3.31Å; I1153-S1155 WeakPolarHBondContact CG2-O 3.38Å; I1153-D1158 HydrophobicContact CG2-CB 4.17Å
1154	S	92.5	Very high	92.2	Very high	104 Å²	104	69.9 Å²	69.9	73%	0.727	40%	0.399	S	S	*	.	S	Bend	trans	-90.2	-24.6	-179.4	64.2	0	0	0	0	113.7	D1158	S1154-D1158 VanDerWaalsContact CB-OD2 3.3Å; S1154-D1158 WeakPolarHBondContact CB-OD2 3.35Å; S1154-D1158 PolarHBondContact N-OD2 2.94Å; S1154-D1158 PolarHBondContact OG-OD2 2.88Å
1155	S	92.3	Very high	91.7	Very high	40 Å²	40	67.4 Å²	67.4	28%	0.28	38%	0.378	S	S	.	.	S	Bend	trans	-158	164.1	-177.8	68.9	0	0	0	0	112	I1153 T1157 D1158	I1153-S1155 VanDerWaalsContact CG2-O 3.31Å; I1153-S1155 WeakPolarHBondContact CG2-O 3.38Å; S1155-T1157 PolarHBondContact O-N 2.95Å; S1155-T1157 VanDerWaalsContact O-N 3.1Å; S1155-T1157 PolarHBondContact OG-N 2.61Å; S1155-T1157 PolarHBondContact OG-OG1 2.8Å; S1155-D1158 VanDerWaalsContact O-CB 3.27Å; S1155-D1158 WeakPolarHBondContact O-CB 3.36Å; S1155-D1158 PolarHBondContact O-N 3.22Å; S1155-D1158 VanDerWaalsContact O-N 3.07Å; S1155-D1158 PolarHBondContact OG-N 3.49Å
1156	P	89.5	Confident	91	Very high	51 Å²	51	70.2 Å²	70.2	33%	0.331	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.8	171.8	-25.9	37.3	0	0	0	114.6	R897 C899	R897-P1156 HydrophobicContact CB-CG 4.33Å; C899-P1156 HydrophobicContact CB-CB 4.39Å; C899-P1156 VanDerWaalsContact SG-CB 3.59Å; C899-P1156 PolarHBondContact SG-O 2.83Å; C899-P1156 VanDerWaalsContact SG-O 3.38Å
1157	T	91.6	Very high	90.2	Very high	52 Å²	52	68 Å²	68	32%	0.319	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	17	177.7	54.8	0	0	0	0	113	V876 Y891 S1155	V876-T1157 HydrophobicContact CG2-CG2 4Å; Y891-T1157 HydrophobicContact CD1-CG2 4.41Å; S1155-T1157 PolarHBondContact O-N 2.95Å; S1155-T1157 VanDerWaalsContact O-N 3.1Å; S1155-T1157 PolarHBondContact OG-N 2.61Å; S1155-T1157 PolarHBondContact OG-OG1 2.8Å
1158	D	92	Very high	89	Confident	23 Å²	23	71.2 Å²	71.2	12%	0.123	40%	0.404	C	S	.	.			trans	-74	130.6	177.6	-164.4	-29.5	0	0	0	111	I1153 S1154 S1155 S1160	I1153-D1158 HydrophobicContact CG2-CB 4.17Å; S1154-D1158 VanDerWaalsContact CB-OD2 3.3Å; S1154-D1158 WeakPolarHBondContact CB-OD2 3.35Å; S1154-D1158 PolarHBondContact N-OD2 2.94Å; S1154-D1158 PolarHBondContact OG-OD2 2.88Å; S1155-D1158 VanDerWaalsContact O-CB 3.27Å; S1155-D1158 WeakPolarHBondContact O-CB 3.36Å; S1155-D1158 PolarHBondContact O-N 3.22Å; S1155-D1158 VanDerWaalsContact O-N 3.07Å; S1155-D1158 PolarHBondContact OG-N 3.49Å; D1158-S1160 VanDerWaalsContact OD1-CB 3.23Å; D1158-S1160 WeakPolarHBondContact OD1-CB 3.14Å; D1158-S1160 PolarHBondContact OD1-N 2.88Å; D1158-S1160 PolarHBondContact OD1-OG 3.45Å
1159	L	90.1	Very high	87.8	Confident	52 Å²	52	78.3 Å²	78.3	27%	0.272	43%	0.432	S	S	.	.			trans	-112.3	5	-178	-63.9	-178.9	0	0	0	113.4	V876 I879 L889 N1161 F1162	V876-L1159 HydrophobicContact CG1-CD1 4.38Å; I879-L1159 HydrophobicContact CG2-CD2 3.47Å; I879-L1159 VanDerWaalsContact CG2-CD2 3.47Å; L889-L1159 HydrophobicContact CB-CD2 4.46Å; L889-L1159 HydrophobicContact CD2-CD2 3.55Å; L889-L1159 HydrophobicContact CD2-CG 4.47Å; L1159-N1161 PolarHBondContact O-N 3.2Å; L1159-F1162 HydrophobicContact CD2-CD2 4.23Å; L1159-F1162 PolarHBondContact O-N 2.72Å
1160	S	91.2	Very high	86.9	Confident	84 Å²	84	83.6 Å²	83.6	59%	0.587	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-12.9	-174	55.5	0	0	0	0	115.8	D1158	D1158-S1160 VanDerWaalsContact OD1-CB 3.23Å; D1158-S1160 WeakPolarHBondContact OD1-CB 3.14Å; D1158-S1160 PolarHBondContact OD1-N 2.88Å; D1158-S1160 PolarHBondContact OD1-OG 3.45Å
1161	N	90.9	Very high	86.5	Confident	46 Å²	46	84.3 Å²	84.3	25%	0.246	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	10.3	174.2	-54.5	-62.1	0	0	0	113.5	L955 K1152 L1159	L955-N1161 PolarHBondContact O-ND2 2.89Å; K1152-N1161 PolarHBondContact O-ND2 2.88Å; L1159-N1161 PolarHBondContact O-N 3.2Å
1162	F	89.8	Confident	86.2	Confident	42 Å²	42	84 Å²	84	18%	0.184	45%	0.454	C	S	.	.	S	Bend	trans	-124.7	154.1	-178.1	-60.9	-89.9	0	0	0	112.1	I879 C954 L955 L1159	I879-F1162 HydrophobicContact CB-CD1 3.88Å; I879-F1162 HydrophobicContact CB-CE1 4.1Å; I879-F1162 HydrophobicContact CB-CG 4.27Å; I879-F1162 HydrophobicContact CD1-CE1 4.24Å; I879-F1162 HydrophobicContact CD1-CZ 4.43Å; I879-F1162 HydrophobicContact CG2-CG 4.5Å; I879-F1162 WeakPolarHBondContact O-CD1 3.39Å; C954-F1162 WeakPolarHBondContact O-CZ 3.32Å; L955-F1162 HydrophobicContact CD2-CE2 4.22Å; L1159-F1162 HydrophobicContact CD2-CD2 4.23Å; L1159-F1162 PolarHBondContact O-N 2.72Å
1163	D	85.8	Confident	86.1	Confident	77 Å²	77	78.7 Å²	78.7	41%	0.412	44%	0.438	S	S	.	.			trans	-73.2	149.4	169.4	-68.8	-33	0	0	0	110.9	Y1165	D1163-Y1165 HydrophobicContact CB-CE1 4.24Å; D1163-Y1165 HydrophobicContact CB-CE2 4.05Å; D1163-Y1165 VanDerWaalsContact O-CD2 3.28Å; D1163-Y1165 WeakPolarHBondContact O-CD2 3.44Å; D1163-Y1165 VanDerWaalsContact O-CE2 3.3Å; D1163-Y1165 WeakPolarHBondContact O-CE2 3.42Å
1164	S	82.7	Confident	85.9	Confident	109 Å²	109	80.8 Å²	80.8	76%	0.762	45%	0.446	S	S	*	.			trans	-81.8	125.8	174.4	-64.5	0	0	0	0	111.9
1165	Y	85.8	Confident	85.8	Confident	58 Å²	58	76.3 Å²	76.3	23%	0.227	41%	0.414	C	S	.	.			trans	-118.1	144.7	178.9	-58.5	-71.9	0	0	0	112.1	T878 G880 I881 D1163	T878-Y1165 HydrophobicContact CG2-CD2 4.09Å; T878-Y1165 HydrophobicContact CG2-CG 4.22Å; G880-Y1165 VanDerWaalsContact CA-CE2 3.5Å; I881-Y1165 HydrophobicContact CD1-CD1 3.59Å; I881-Y1165 HydrophobicContact CD1-CE1 4.31Å; I881-Y1165 HydrophobicContact CD1-CG 4.04Å; I881-Y1165 HydrophobicContact CG1-CD1 3.83Å; I881-Y1165 HydrophobicContact CG1-CE1 4.27Å; I881-Y1165 HydrophobicContact CG1-CG 4.05Å; D1163-Y1165 HydrophobicContact CB-CE1 4.24Å; D1163-Y1165 HydrophobicContact CB-CE2 4.05Å; D1163-Y1165 VanDerWaalsContact O-CD2 3.28Å; D1163-Y1165 WeakPolarHBondContact O-CD2 3.44Å; D1163-Y1165 VanDerWaalsContact O-CE2 3.3Å; D1163-Y1165 WeakPolarHBondContact O-CE2 3.42Å
1166	S	82.7	Confident	85.4	Confident	94 Å²	94	79.9 Å²	79.9	66%	0.657	43%	0.434	S	S	*	.			trans	-74.5	149.7	173.7	62.1	0	0	0	0	112	R886	R886-S1166 PolarHBondContact NH1-O 2.87Å; R886-S1166 PolarHBondContact NH2-O 2.71Å
1167	E	77.6	Confident	85.3	Confident	132 Å²	132	82.3 Å²	82.3	62%	0.617	45%	0.449	S	S	*	.			trans	-73.5	176.6	172.8	-54.7	-145.7	131.6	0	0	111.6
1168	E	72.4	Confident	85.2	Confident	87 Å²	87	81.6 Å²	81.6	41%	0.407	45%	0.452	S	S	.	.			trans	-122.4	120.4	-175.2	-125.7	169	158.9	0	0	110.2	R886 K906	R886-E1168 IonicContact CZ-OE2 3.25Å; R886-E1168 VanDerWaalsContact CZ-OE2 3.25Å; R886-E1168 IonicContact NE-OE2 2.83Å; R886-E1168 PolarHBondContact NE-OE2 3.11Å; R886-E1168 VanDerWaalsContact NH2-CD 3.28Å; R886-E1168 VanDerWaalsContact NH2-CG 3.31Å; R886-E1168 IonicContact NH2-OE2 3.24Å; R886-E1168 PolarHBondContact NH2-OE2 3.14Å; K906-E1168 WeakPolarHBondContact CE-OE1 3.21Å; K906-E1168 IonicContact NZ-OE1 2.69Å; K906-E1168 PolarHBondContact NZ-OE1 2.8Å
1169	E	69.6	Low	85.2	Confident	199 Å²	199	82.5 Å²	82.5	93%	0.93	45%	0.453	S	S	*	.			trans	-86.1	-28.2	179.8	-61.1	-177.9	168.5	0	0	112.6
1170	E	77.2	Confident	85.3	Confident	163 Å²	163	80.3 Å²	80.3	76%	0.762	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-92.5	125.2	-172.7	-168	172.2	-148.1	0	0	113.2
1171	L	84.1	Confident	85.2	Confident	109 Å²	109	83.1 Å²	83.1	57%	0.571	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-83.4	128.3	177	-67.9	173.6	0	0	0	111	Y946	Y946-L1171 HydrophobicContact CE2-CD2 4.33Å
1172	P	87.2	Confident	85	Confident	11 Å²	11	85.2 Å²	85.2	7%	0.071	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-68.7	161	175.6	31.4	-35.3	0	0	0	111.4	K906 R945 Y946	K906-P1172 HydrophobicContact CB-CB 4.43Å; K906-P1172 HydrophobicContact CB-CG 4.35Å; K906-P1172 HydrophobicContact CD-CB 4.19Å; K906-P1172 HydrophobicContact CD-CG 4.31Å; K906-P1172 HydrophobicContact CG-CB 4.4Å; K906-P1172 HydrophobicContact CG-CG 4.11Å; R945-P1172 HydrophobicContact CB-CG 4.28Å; R945-P1172 WeakPolarHBondContact CD-O 3.49Å; R945-P1172 PolarHBondContact NH1-O 2.77Å; Y946-P1172 HydrophobicContact CD1-CG 4.4Å; Y946-P1172 HydrophobicContact CE1-CG 3.77Å; Y946-P1172 HydrophobicContact CE2-CG 4.4Å; Y946-P1172 VanDerWaalsContact CZ-CD 3.48Å; Y946-P1172 WeakPolarHBondContact OH-CD 3.45Å
1173	P	89.6	Confident	85	Confident	67 Å²	67	84.6 Å²	84.6	44%	0.435	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-54.2	156.3	172.6	-26.3	35.1	0	0	0	113.7	H908	H908-P1173 HydrophobicContact CB-CB 4.34Å
1174	E	89.9	Confident	85	Confident	96 Å²	96	85 Å²	85	45%	0.449	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-75.6	141	171.6	-69.6	173.2	-161.7	0	0	111.1	Q944 R945	Q944-E1174 HydrophobicContact CB-CB 4.34Å; Q944-E1174 HydrophobicContact CB-CG 3.91Å; Q944-E1174 CarbonylContact O-C 3.53Å; Q944-E1174 WeakPolarHBondContact O-CA 3.47Å; R945-E1174 HydrophobicContact CG-CB 4.47Å; R945-E1174 HydrophobicContact CG-CG 3.64Å; R945-E1174 IonicContact CZ-OE1 2.87Å; R945-E1174 IonicContact NE-OE1 2.79Å; R945-E1174 PolarHBondContact NE-OE1 2.75Å; R945-E1174 IonicContact NH2-OE1 2.72Å; R945-E1174 PolarHBondContact NH2-OE1 2.72Å
1175	D	88.7	Confident	85.1	Confident	11 Å²	11	83.7 Å²	83.7	6%	0.059	44%	0.438	C	S	.	.			trans	-126.5	106.2	173.2	170.7	15.2	0	0	0	108.4	K907 V911 Q944 T1177 W1179	K907-D1175 HydrophobicContact CB-CB 3.84Å; K907-D1175 WeakPolarHBondContact CE-O 3.49Å; K907-D1175 PolarHBondContact NZ-O 3.29Å; V911-D1175 VanDerWaalsContact CG2-OD2 3.31Å; V911-D1175 WeakPolarHBondContact CG2-OD2 3.2Å; Q944-D1175 PolarHBondContact O-N 2.87Å; D1175-T1177 WeakPolarHBondContact OD1-CB 3.37Å; D1175-T1177 WeakPolarHBondContact OD1-CG2 3.45Å; D1175-T1177 PolarHBondContact OD1-N 3.4Å; D1175-T1177 PolarHBondContact OD1-OG1 2.95Å; D1175-W1179 PolarHBondContact OD2-NE1 2.7Å
1176	T	85.5	Confident	85.1	Confident	114 Å²	114	85.1 Å²	85.1	70%	0.699	45%	0.449	S	S	*	.			trans	-105.8	15.5	178.8	51.6	0	0	0	0	112.2	G1178	T1176-G1178 PolarHBondContact O-N 3.48Å
1177	T	87.1	Confident	85.2	Confident	103 Å²	103	84.6 Å²	84.6	63%	0.632	44%	0.437	S	S	*	.	S	Bend	trans	-73.7	-11.5	-174	62.6	0	0	0	0	114.5	D1175 W1179	D1175-T1177 WeakPolarHBondContact OD1-CB 3.37Å; D1175-T1177 WeakPolarHBondContact OD1-CG2 3.45Å; D1175-T1177 PolarHBondContact OD1-N 3.4Å; D1175-T1177 PolarHBondContact OD1-OG1 2.95Å; T1177-W1179 PolarHBondContact O-N 2.83Å
1178	G	88.7	Confident	85.7	Confident	37 Å²	37	81.6 Å²	81.6	38%	0.381	43%	0.426	S	S	.	.			trans	79.2	8.2	165.5	0	0	0	0	0	116.4	T1176 D1180 K1181	T1176-G1178 PolarHBondContact O-N 3.48Å; G1178-D1180 PolarHBondContact O-N 2.85Å; G1178-K1181 WeakPolarHBondContact O-CB 3.38Å; G1178-K1181 PolarHBondContact O-N 3.22Å; G1178-K1181 VanDerWaalsContact O-N 3.12Å
1179	W	91.4	Very high	86.6	Confident	42 Å²	42	81.3 Å²	81.3	16%	0.159	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.1	172.8	68.6	-91.5	0	0	0	112.7	I910 V911 Q916 V919 I920 L947 D1175 T1177 K1181	I910-W1179 HydrophobicContact CB-CH2 4.22Å; I910-W1179 HydrophobicContact CB-CZ2 4.08Å; I910-W1179 HydrophobicContact CD1-CH2 3.92Å; I910-W1179 HydrophobicContact CD1-CZ2 4.17Å; I910-W1179 HydrophobicContact CG2-CH2 3.66Å; I910-W1179 HydrophobicContact CG2-CZ2 3.89Å; V911-W1179 HydrophobicContact CG2-CZ2 4.5Å; V911-W1179 VanDerWaalsContact CG2-NE1 3.35Å; Q916-W1179 HydrophobicContact CB-CD2 3.99Å; Q916-W1179 HydrophobicContact CB-CE3 3.64Å; Q916-W1179 HydrophobicContact CB-CH2 4.44Å; Q916-W1179 HydrophobicContact CB-CZ3 3.89Å; Q916-W1179 HydrophobicContact CG-CD2 3.53Å; Q916-W1179 HydrophobicContact CG-CE3 3.72Å; Q916-W1179 HydrophobicContact CG-CG 3.93Å; Q916-W1179 HydrophobicContact CG-CH2 4.26Å; Q916-W1179 HydrophobicContact CG-CZ2 4.12Å; Q916-W1179 HydrophobicContact CG-CZ3 4.08Å; V919-W1179 HydrophobicContact CB-CH2 4.48Å; V919-W1179 HydrophobicContact CB-CZ3 4.49Å; V919-W1179 HydrophobicContact CG1-CH2 4.31Å; V919-W1179 HydrophobicContact CG1-CZ3 4.44Å; I920-W1179 HydrophobicContact CD1-CE3 4.07Å; I920-W1179 HydrophobicContact CD1-CZ3 4.47Å; I920-W1179 HydrophobicContact CG1-CE3 4.31Å; I920-W1179 HydrophobicContact CG1-CZ3 4.26Å; L947-W1179 HydrophobicContact CD1-CH2 3.43Å; L947-W1179 VanDerWaalsContact CD1-CH2 3.43Å; L947-W1179 HydrophobicContact CD1-CZ2 4.07Å; L947-W1179 HydrophobicContact CD1-CZ3 4Å; D1175-W1179 PolarHBondContact OD2-NE1 2.7Å; T1177-W1179 PolarHBondContact O-N 2.83Å; W1179-K1181 VanDerWaalsContact C-N 3.31Å; W1179-K1181 PolarHBondContact O-N 3.07Å
1180	D	92.7	Very high	87.8	Confident	6 Å²	6	72.9 Å²	72.9	3%	0.032	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	19.3	177.3	65.3	-42.1	0	0	0	113.5	K907 K942 L947 G1178 D1182 F1183	K907-D1180 VanDerWaalsContact CE-OD2 3.25Å; K907-D1180 WeakPolarHBondContact CE-OD2 3.36Å; K907-D1180 IonicContact NZ-OD1 2.68Å; K907-D1180 PolarHBondContact NZ-OD1 2.83Å; K907-D1180 IonicContact NZ-OD2 2.64Å; K907-D1180 PolarHBondContact NZ-OD2 2.84Å; K942-D1180 HydrophobicContact CD-CB 4.47Å; K942-D1180 WeakPolarHBondContact CD-OD2 3.3Å; K942-D1180 PolarHBondContact NZ-O 3.13Å; L947-D1180 HydrophobicContact CD1-CB 4.39Å; L947-D1180 HydrophobicContact CD2-CB 3.65Å; G1178-D1180 PolarHBondContact O-N 2.85Å; D1180-D1182 PolarHBondContact O-N 2.89Å; D1180-F1183 HydrophobicContact CB-CB 4.48Å; D1180-F1183 HydrophobicContact CB-CD2 4.36Å; D1180-F1183 PolarHBondContact O-N 2.71Å
1181	K	90.5	Very high	88.6	Confident	142 Å²	142	65.9 Å²	65.9	62%	0.617	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-33.1	-177	60.2	137.6	-172.7	132.2	0	114.3	K942 G1178 W1179	K942-K1181 VanDerWaalsContact NZ-C 3.33Å; K942-K1181 PolarHBondContact NZ-O 2.77Å; G1178-K1181 WeakPolarHBondContact O-CB 3.38Å; G1178-K1181 PolarHBondContact O-N 3.22Å; G1178-K1181 VanDerWaalsContact O-N 3.12Å; W1179-K1181 VanDerWaalsContact C-N 3.31Å; W1179-K1181 PolarHBondContact O-N 3.07Å
1182	D	86.1	Confident	89	Confident	90 Å²	90	62.3 Å²	62.3	48%	0.481	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	9.1	-176.8	-49	-52.8	0	0	0	114.6	K923 D1180	K923-D1182 PolarHBondContact NZ-O 2.8Å; D1180-D1182 PolarHBondContact O-N 2.89Å
1183	F	90	Very high	89.1	Confident	29 Å²	29	67 Å²	67	13%	0.127	37%	0.37	C	S	.	.			trans	-89.7	0	174.6	-88.9	-101.8	0	0	0	114.3	V919 I920 K923 T940 K942 L947 I949 D1180	V919-F1183 HydrophobicContact CG1-CE1 4.32Å; V919-F1183 HydrophobicContact CG1-CE2 4.43Å; V919-F1183 HydrophobicContact CG1-CZ 3.7Å; I920-F1183 HydrophobicContact CG1-CE2 4.17Å; K923-F1183 HydrophobicContact CB-CE1 4.22Å; K923-F1183 HydrophobicContact CB-CE2 4.41Å; K923-F1183 HydrophobicContact CB-CZ 3.75Å; K923-F1183 HydrophobicContact CD-CD1 4.23Å; K923-F1183 HydrophobicContact CD-CD2 4.22Å; K923-F1183 HydrophobicContact CD-CE1 4Å; K923-F1183 HydrophobicContact CD-CE2 4Å; K923-F1183 HydrophobicContact CD-CG 4.32Å; K923-F1183 HydrophobicContact CD-CZ 3.87Å; K923-F1183 HydrophobicContact CG-CE1 4.23Å; K923-F1183 HydrophobicContact CG-CZ 4.14Å; T940-F1183 CarbonylContact C-O 3.59Å; T940-F1183 WeakPolarHBondContact CB-O 3.3Å; T940-F1183 HydrophobicContact CG2-CD1 3.68Å; T940-F1183 HydrophobicContact CG2-CE1 3.84Å; T940-F1183 PolarHBondContact OG1-O 2.9Å; K942-F1183 HydrophobicContact CB-CB 4.26Å; K942-F1183 HydrophobicContact CD-CB 4.43Å; K942-F1183 HydrophobicContact CG-CB 4.44Å; K942-F1183 PolarHBondContact NZ-OXT 2.73Å; L947-F1183 HydrophobicContact CB-CD1 4.18Å; L947-F1183 HydrophobicContact CB-CE1 4.39Å; L947-F1183 HydrophobicContact CD1-CD1 3.98Å; L947-F1183 HydrophobicContact CD1-CD2 4.21Å; L947-F1183 HydrophobicContact CD1-CE1 3.93Å; L947-F1183 HydrophobicContact CD1-CE2 4.16Å; L947-F1183 HydrophobicContact CD1-CG 4.14Å; L947-F1183 HydrophobicContact CD1-CZ 4.03Å; L947-F1183 HydrophobicContact CD2-CB 4.09Å; L947-F1183 HydrophobicContact CD2-CD1 4.21Å; L947-F1183 HydrophobicContact CD2-CG 4.08Å; L947-F1183 HydrophobicContact CG-CD1 4.35Å; I949-F1183 HydrophobicContact CD1-CE1 4.12Å; I949-F1183 HydrophobicContact CG1-CE1 4.05Å; D1180-F1183 HydrophobicContact CB-CB 4.48Å; D1180-F1183 HydrophobicContact CB-CD2 4.36Å; D1180-F1183 PolarHBondContact O-N 2.71Å

Retrieved 1,183 of 1,183 residues in 495.7 ms (Link to these results)

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