A0A096NJL7_PAPAN Loading...

Phosphatidylinositol 4,5-bisphosphate 5-phosphatase A

Inositol 5-phosphatase, which converts inositol 1,4,5-trisphosphate to inositol 1,4-bisphosphate. Also converts phosphatidylinositol 4,5-bisphosphate to phosphatidylinositol 4-phosphate and inositol 1,3,4,5-tetrakisphosphate to inositol 1,3,4-trisphosphate in vitro. May be involved in modulation of the function of inositol and phosphatidylinositol polyphosphate-binding proteins that are present at membranes ruffles.

AlphaFold DB , UniProt , Accession A0A096NJL7, Species PAPAN (Papio anubis, Olive baboon), Gene INPP5J, Length 1,001 aa.

						>A0A096NJL7_PAPAN|A0A096NJL7|INPP5J
MEGQSSRGSRRPGTRAGLGPLPMPQGVAQTGAPSKVDSSFQLPAKKNAALGPSEPRLALAPVGPRAAMSASSEGPGLALASPRPILAPLCTPGGQKTAPAHPTSVGQLVMSASAGPKPPPATTGSVLAPTSLGQLVMSPSAGPRSPPATLGPSLAPTSRDQKQEPPASVGPKPTLAASGLSLALASEEQPPELPSTPSPVPSPVLSPSQEQALAPASTASGPASVGQTPARKRDAPAPRPLPASEGHLQPPPQTSGPTGSPPSIQTSPDPRLSPSFRARPEALHSSPEDPVLPRPPQTLPLDAGQGPPEPGNRSPGLLSPTFRPGAPSGQTVPPPLPKPPRSPSRSPSRSPNRSPCVPPAPDMALPRLGTQSTGPGRCLSPNLQAQEAPVPVTTSSSTSALSSSPWSAQPTCRSDPGFRITVVTWNVGTAMPPDDVTSLLHLGGGDDSGGADMIAIGLQEVNSMLNKRLKDALFTDQWSELFMDALAPFNFVLVSSVRMQGVILLLFAKYYHLPFLRDVQTDCTRTGLGGYWGNKGGVSVRLAAFGHMLCFLNCHLPAHMDKAEQRKDNFQTILSLQQFQGPGAQGILDHDLVFWFGDLNFRIESYDLHFVKFAIDSDQLHQLWEKDQLNMAKNTWPILKGFQEGPLNFAPTFKFDVGTNKYDTSAKKRKPAWTDRILWKVKAPGGGPSPSGRKSHRLQVTQHSYRSHMEYTVSDHKPVAAQFLLQFAFRDDMPLVRLEVADEWVRPEQAVVRYRMETVFARSSWDWIGLYRVGFRHCKDYVAYVWAKHEDVDGNTYQVTFSEESLPKGHGDFILGYYSHNHSILIGVTEPFQISLPSSELASSSTDSSSTSSEGEDDSTLELLAPKSRSPSPGKSKRHRSRSPGLTRFPGLALRPSSRERRGASRSPSPQSRRLSRVAPDRSSHGSSRGSSEEGPSGLPGPWAFPPAVPRSLGLLPALRLETVDPGGGGSWGPDREVLAPNSLSPSPQGHLGLEEGGLGP
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.2	Very low	29.8	Very low	233 Å²	233	161.8 Å²	161.8	100%	1.148	85%	0.845	S	S	*	*				0	161.5	0	-79.8	170.4	163.5	0	0	108.6
2	E	27.9	Very low	31.5	Very low	181 Å²	181	159.3 Å²	159.3	85%	0.846	85%	0.846	S	S	*	*			trans	-70	177.2	-179.6	-52.1	97.3	121.3	0	0	111.1
3	G	28.3	Very low	31.2	Very low	74 Å²	74	152.5 Å²	152.5	76%	0.763	84%	0.836	S	S	*	*			cis	-174.9	-154.2	13.3	0	0	0	0	0	115.2
4	Q	32.2	Very low	31.7	Very low	185 Å²	185	152.1 Å²	152.1	86%	0.864	84%	0.841	S	S	*	*			trans	-101.2	149.8	-169.9	-56.1	170.4	-5.6	0	0	113
5	S	31.4	Very low	31.8	Very low	115 Å²	115	158.3 Å²	158.3	80%	0.804	85%	0.847	S	S	*	*			trans	67.6	173.2	149.8	83.4	0	0	0	0	116.6
6	S	31	Very low	32.2	Very low	85 Å²	85	154.4 Å²	154.4	59%	0.594	84%	0.843	S	S	*	*			cis	-158.2	162.7	3.1	77.6	0	0	0	0	112.3
7	R	29.8	Very low	32.3	Very low	243 Å²	243	149.6 Å²	149.6	92%	0.917	84%	0.838	S	S	*	*			trans	61.8	157.6	154.7	-62.9	168.7	177.2	-168.7	-0.6	118.7
8	G	28.9	Very low	32.3	Very low	77 Å²	77	151.2 Å²	151.2	79%	0.794	84%	0.843	S	S	*	*			cis	138.1	101.2	-14.2	0	0	0	0	0	115.9
9	S	27.6	Very low	32.1	Very low	108 Å²	108	146.9 Å²	146.9	76%	0.755	84%	0.836	S	S	*	*			trans	-172.5	153	175.3	-142.6	0	0	0	0	110.3
10	R	28.4	Very low	33.2	Very low	244 Å²	244	145 Å²	145	92%	0.921	83%	0.83	S	S	*	*			cis	-159.4	-172.7	-19.3	-118.6	-179.8	-175.7	-162.2	-0.3	111.3
11	R	32.4	Very low	33.3	Very low	235 Å²	235	145.9 Å²	145.9	89%	0.887	83%	0.831	S	S	*	*			trans	-75.9	175.4	173.7	-86.9	-178.3	179.4	-174.2	0.1	113.8
12	P	49.8	Very low	35.1	Very low	132 Å²	132	139.7 Å²	139.7	86%	0.857	81%	0.808	S	S	*	*			cis	-144.5	-179.8	27.6	42.3	-21.5	0	0	0	119.4
13	G	28	Very low	35.4	Very low	70 Å²	70	139.4 Å²	139.4	72%	0.722	81%	0.809	S	S	*	*			trans	173.2	156.2	171.7	0	0	0	0	0	113.7
14	T	37.4	Very low	37.2	Very low	147 Å²	147	140.5 Å²	140.5	90%	0.902	80%	0.803	S	S	*	*			trans	-146.3	179.9	-167.7	43.8	0	0	0	0	111.9
15	R	34.3	Very low	37.2	Very low	246 Å²	246	141 Å²	141	93%	0.928	81%	0.805	S	S	*	*			cis	-145.1	-91.3	20.1	-166.8	-179.9	-178.4	177.9	0.5	116.2
16	A	36.9	Very low	37.2	Very low	96 Å²	96	138.8 Å²	138.8	79%	0.793	80%	0.8	S	S	*	*			trans	-160.2	168.9	-170.6	0	0	0	0	0	110.1
17	G	34.7	Very low	37.1	Very low	72 Å²	72	142.3 Å²	142.3	74%	0.742	82%	0.818	S	S	*	*			cis	-144.9	-132.8	0.6	0	0	0	0	0	110.2
18	L	33.2	Very low	37.3	Very low	178 Å²	178	134.9 Å²	134.9	93%	0.932	81%	0.808	S	S	*	*			cis	-170.2	170.9	-8.8	-129.2	177.5	0	0	0	108.9
19	G	28.5	Very low	37.4	Very low	70 Å²	70	140.3 Å²	140.3	72%	0.722	81%	0.813	S	S	*	*			trans	108.6	100.3	165.6	0	0	0	0	0	117.4
20	P	54	Low	37.4	Very low	108 Å²	108	141.4 Å²	141.4	70%	0.701	82%	0.815	S	S	*	*			trans	-130.4	159.1	-173.4	37.8	-22	0	0	0	116.9
21	L	35.3	Very low	37.2	Very low	165 Å²	165	133.2 Å²	133.2	86%	0.864	81%	0.807	S	S	*	*				172	153.1	108.4	-88.9	173	0	0	0	113.9
22	P	67.6	Low	37.2	Very low	103 Å²	103	126.9 Å²	126.9	67%	0.669	81%	0.805	S	S	*	*			trans	-120.3	-169.1	176.8	43.5	-31.3	0	0	0	113.2
23	M	33.7	Very low	37.1	Very low	175 Å²	175	125.9 Å²	125.9	86%	0.862	80%	0.798	S	S	*	*				171.8	164.3	124.1	-86	-56.6	-82.7	0	0	112.4
24	P	66.3	Low	37.4	Very low	97 Å²	97	127.6 Å²	127.6	63%	0.63	80%	0.799	S	S	*	*			trans	-136.2	-161.9	-162.4	37.2	-14.4	0	0	0	116.1
25	Q	33	Very low	37.1	Very low	196 Å²	196	129.4 Å²	129.4	92%	0.916	80%	0.795	S	S	*	*			trans	86.5	138.2	164.7	-58.2	-176.2	-15.4	0	0	120
26	G	30.3	Very low	37.1	Very low	67 Å²	67	123.2 Å²	123.2	69%	0.691	78%	0.784	S	S	*	*				128.5	79.4	117.1	0	0	0	0	0	121.5
27	V	29.7	Very low	36.8	Very low	160 Å²	160	124.9 Å²	124.9	97%	0.97	78%	0.779	S	S	*	*			trans	66.9	170.2	150.1	-171.7	0	0	0	0	115.8
28	A	34.6	Very low	36.8	Very low	86 Å²	86	125.8 Å²	125.8	71%	0.711	77%	0.774	S	S	*	*			trans	-137	149.6	-163.1	0	0	0	0	0	114.4
29	Q	29.3	Very low	36.6	Very low	191 Å²	191	122.2 Å²	122.2	89%	0.893	76%	0.764	S	S	*	*			trans	-163.3	162.2	142.6	-112.2	172.2	41.1	0	0	113.7
30	T	27.7	Very low	36.8	Very low	132 Å²	132	127.1 Å²	127.1	81%	0.81	77%	0.766	S	S	*	*			trans	-38.7	130.9	-177.9	48	0	0	0	0	120.8
31	G	24.7	Very low	35.5	Very low	72 Å²	72	130 Å²	130	74%	0.742	77%	0.77	S	S	*	*				103.3	90.1	100.4	0	0	0	0	0	123.1
32	A	31.8	Very low	35	Very low	102 Å²	102	129.5 Å²	129.5	84%	0.843	77%	0.767	S	S	*	*			trans	65.4	173.1	141.3	0	0	0	0	0	119
33	P	48.6	Very low	34.4	Very low	111 Å²	111	129.8 Å²	129.8	72%	0.721	77%	0.769	S	S	*	*			cis	-136.6	-175.7	1.7	44.5	-27.7	0	0	0	117.3
34	S	33.5	Very low	34.1	Very low	106 Å²	106	125.9 Å²	125.9	74%	0.741	77%	0.765	S	S	*	*			trans	78.2	147.9	156.4	80.3	0	0	0	0	118.4
35	K	32.4	Very low	32.3	Very low	185 Å²	185	130.7 Å²	130.7	80%	0.804	78%	0.776	S	S	*	*			cis	-158.5	138.8	3	-131.6	170.6	178.2	-176.3	0	112
36	V	33.7	Very low	32.1	Very low	116 Å²	116	129.8 Å²	129.8	70%	0.703	77%	0.769	S	S	*	*				62.3	137.5	125.3	154.4	0	0	0	0	119.8
37	D	30.8	Very low	32	Very low	131 Å²	131	133 Å²	133	70%	0.701	77%	0.77	S	S	*	*			cis	-167.7	176.5	-1.2	-119	-22.9	0	0	0	110.7
38	S	35.2	Very low	31.9	Very low	90 Å²	90	129.9 Å²	129.9	63%	0.629	76%	0.761	S	S	*	*			cis	-161.6	-177	2.6	45.3	0	0	0	0	112.2
39	S	27.9	Very low	31.6	Very low	104 Å²	104	130.3 Å²	130.3	73%	0.727	77%	0.765	S	S	*	*			trans	90.2	96	174.8	71.5	0	0	0	0	116.1
40	F	32.2	Very low	31.5	Very low	172 Å²	172	129.4 Å²	129.4	75%	0.754	77%	0.765	S	S	*	*				85	137	53.8	-76.6	-129.5	0	0	0	113.2
41	Q	27.6	Very low	31.5	Very low	169 Å²	169	126 Å²	126	79%	0.79	76%	0.756	S	S	*	*			cis	-154.1	178.9	6.8	-139.4	177.5	15.4	0	0	114.3
42	L	24.8	Very low	32.9	Very low	154 Å²	154	128.7 Å²	128.7	81%	0.806	76%	0.761	S	S	*	*			trans	-141.6	-174.1	174.4	-104.8	175.6	0	0	0	107.1
43	P	55.3	Low	32.6	Very low	110 Å²	110	129.7 Å²	129.7	71%	0.714	76%	0.761	S	S	*	*			cis	-132.7	-173.2	-18.4	39	-21.5	0	0	0	113.8
44	A	26.9	Very low	31.7	Very low	93 Å²	93	132.9 Å²	132.9	77%	0.769	77%	0.767	S	S	*	*				171.3	115.5	126.8	0	0	0	0	0	118.2
45	K	28.2	Very low	32.1	Very low	197 Å²	197	133.5 Å²	133.5	86%	0.857	77%	0.768	S	S	*	*			trans	31.7	132.1	132	-76.4	175	178.6	170.1	0	125
46	K	28.9	Very low	32	Very low	178 Å²	178	135.2 Å²	135.2	77%	0.774	77%	0.77	S	S	*	*				102.7	123.9	126.1	-88	-168.1	170.5	-172.4	0	123.3
47	N	28.2	Very low	31.6	Very low	134 Å²	134	137.9 Å²	137.9	72%	0.717	78%	0.779	S	S	*	*			trans	85.9	115.9	132	-74.2	21.3	0	0	0	124.7
48	A	28.3	Very low	31.3	Very low	94 Å²	94	135.7 Å²	135.7	78%	0.777	78%	0.779	S	S	*	*				86.9	131.6	126	0	0	0	0	0	123.5
49	A	27.4	Very low	30.9	Very low	96 Å²	96	139.5 Å²	139.5	79%	0.793	79%	0.792	S	S	*	*			trans	58.1	151.6	147.5	0	0	0	0	0	119.8
50	L	27.4	Very low	31.3	Very low	171 Å²	171	139 Å²	139	90%	0.895	79%	0.794	S	S	*	*			cis	-155	168.7	-7.5	-116.9	166.1	0	0	0	107.6
51	G	27.9	Very low	31.6	Very low	60 Å²	60	137.3 Å²	137.3	62%	0.619	80%	0.8	S	S	*	*			trans	-110.5	-154.2	164.8	0	0	0	0	0	110.9
52	P	54.1	Low	31.6	Very low	129 Å²	129	136.5 Å²	136.5	84%	0.838	81%	0.806	S	S	*	*			cis	-134.9	-152.8	-22.7	41.8	-23.9	0	0	0	111.3
53	S	25.8	Very low	31.9	Very low	123 Å²	123	132.3 Å²	132.3	86%	0.86	80%	0.8	S	S	*	*			trans	118.7	162.4	149.9	78.7	0	0	0	0	120
54	E	29.9	Very low	31.5	Very low	178 Å²	178	133.8 Å²	133.8	83%	0.832	81%	0.81	S	S	*	*			trans	-87.7	-175	-166.9	-81.4	-163.5	132.1	0	0	112.9
55	P	41.9	Very low	31.6	Very low	120 Å²	120	141.2 Å²	141.2	78%	0.779	82%	0.818	S	S	*	*			cis	-145.7	-171.8	20.1	44.3	-22.7	0	0	0	118.9
56	R	28.5	Very low	31.7	Very low	221 Å²	221	136.4 Å²	136.4	83%	0.834	82%	0.815	S	S	*	*			trans	-77.5	146.3	167.9	-59.3	167.4	167.6	177.2	-4.8	112.1
57	L	25.9	Very low	31.8	Very low	171 Å²	171	132.5 Å²	132.5	90%	0.895	82%	0.816	S	S	*	*				167.5	163.8	116.3	-93.3	164.1	0	0	0	114.6
58	A	24.8	Very low	31.8	Very low	85 Å²	85	134 Å²	134	70%	0.702	82%	0.821	S	S	*	*			trans	71.5	107.3	155.9	0	0	0	0	0	122.3
59	L	27.2	Very low	31.9	Very low	170 Å²	170	134.8 Å²	134.8	89%	0.89	82%	0.82	S	S	*	*				35.8	120.2	122.8	-67.8	161.4	0	0	0	122.1
60	A	35	Very low	32	Very low	93 Å²	93	134.2 Å²	134.2	77%	0.769	82%	0.815	S	S	*	*			trans	39.5	136	138.2	0	0	0	0	0	122.2
61	P	39.2	Very low	32.2	Very low	138 Å²	138	131.6 Å²	131.6	90%	0.896	81%	0.812	S	S	*	*				-144.5	-167.2	111.3	39.7	-24.9	0	0	0	116.5
62	V	28.6	Very low	32.3	Very low	151 Å²	151	133.8 Å²	133.8	92%	0.915	82%	0.817	S	S	*	*			trans	-101.8	150.7	-156.4	169.6	0	0	0	0	116
63	G	29.6	Very low	31.1	Very low	66 Å²	66	137.3 Å²	137.3	68%	0.68	82%	0.823	S	S	*	*			trans	110.3	168.5	146.1	0	0	0	0	0	117.7
64	P	47.4	Very low	31.3	Very low	141 Å²	141	134.9 Å²	134.9	92%	0.916	82%	0.817	S	S	*	*			cis	-128.8	-155.7	4.4	42.2	-24.7	0	0	0	116
65	R	30.3	Very low	31.9	Very low	250 Å²	250	132.8 Å²	132.8	94%	0.943	82%	0.819	S	S	*	*			trans	-94.5	157.1	-158.8	-69.9	167.7	153.2	176	-7.8	119.2
66	A	30.1	Very low	31.3	Very low	95 Å²	95	130.3 Å²	130.3	79%	0.785	82%	0.815	S	S	*	*			trans	-160.7	136.3	135	0	0	0	0	0	107.9
67	A	30.1	Very low	31.3	Very low	96 Å²	96	128.4 Å²	128.4	79%	0.793	82%	0.821	S	S	*	*			cis	86.5	134.1	48.6	0	0	0	0	0	113.7
68	M	27.8	Very low	31.4	Very low	167 Å²	167	124.2 Å²	124.2	82%	0.823	81%	0.811	S	S	*	*			cis	-167.4	160.4	-3.4	-119.6	-57.6	-162.3	0	0	113.1
69	S	30.1	Very low	31.7	Very low	109 Å²	109	128.3 Å²	128.3	76%	0.762	82%	0.82	S	S	*	*			trans	58.9	150.9	155.9	50.8	0	0	0	0	122.3
70	A	29.8	Very low	31.7	Very low	84 Å²	84	124.4 Å²	124.4	69%	0.694	81%	0.812	S	S	*	*			cis	-171.6	169.9	-15.2	0	0	0	0	0	113.4
71	S	32.4	Very low	31.8	Very low	117 Å²	117	125.6 Å²	125.6	82%	0.818	82%	0.815	S	S	*	*			trans	66.4	149.6	159.9	38.7	0	0	0	0	120.5
72	S	30.8	Very low	32	Very low	106 Å²	106	125.1 Å²	125.1	74%	0.741	81%	0.812	S	S	*	*			cis	-155.9	142.7	0.2	49.8	0	0	0	0	114.7
73	E	29	Very low	32.3	Very low	202 Å²	202	128.5 Å²	128.5	94%	0.944	81%	0.808	S	S	*	*			trans	57.8	160.6	148.2	-59.1	-160.8	128.3	0	0	123.6
74	G	29	Very low	33	Very low	72 Å²	72	131 Å²	131	74%	0.742	81%	0.812	S	S	*	*			trans	-112.6	-135.5	-175.2	0	0	0	0	0	113
75	P	42.6	Very low	32.2	Very low	134 Å²	134	130.6 Å²	130.6	87%	0.87	80%	0.801	S	S	*	*			cis	-109.6	179.9	6.5	42	-33.3	0	0	0	113.1
76	G	29.5	Very low	32.1	Very low	68 Å²	68	127 Å²	127	70%	0.701	80%	0.8	S	S	*	*			cis	123	105.6	-6.5	0	0	0	0	0	114.7
77	L	27.7	Very low	32.3	Very low	182 Å²	182	126.6 Å²	126.6	95%	0.953	80%	0.796	S	S	*	*			trans	-171.5	154.9	149.8	-107.8	170.4	0	0	0	110.5
78	A	29.3	Very low	32.8	Very low	83 Å²	83	128.2 Å²	128.2	69%	0.686	80%	0.799	S	S	*	*			trans	-155	160	-179.8	0	0	0	0	0	110.4
79	L	30	Very low	32.7	Very low	170 Å²	170	127.6 Å²	127.6	89%	0.89	80%	0.798	S	S	*	*			trans	179.1	151.7	142.6	-102.6	158.4	0	0	0	115.2
80	A	27.7	Very low	32.5	Very low	88 Å²	88	127.8 Å²	127.8	73%	0.727	80%	0.798	S	S	*	*			trans	65.3	135.1	147.8	0	0	0	0	0	122.6
81	S	36.5	Very low	32.9	Very low	119 Å²	119	130.1 Å²	130.1	83%	0.832	80%	0.804	S	S	*	*			trans	-95.5	161.4	158	-41.5	0	0	0	0	111.1
82	P	44.2	Very low	33.4	Very low	128 Å²	128	130.6 Å²	130.6	83%	0.831	80%	0.804	S	S	*	*			trans	-142.4	174.5	134.5	36.9	-22.5	0	0	0	115.2
83	R	35.3	Very low	33.4	Very low	221 Å²	221	129.3 Å²	129.3	83%	0.834	81%	0.808	S	S	*	*			trans	-90.1	154.3	171	-64.3	172.9	171.8	171.2	-4.9	111.7	I85	R83-I85 HydrophobicContact CB-CD1 4.28Å; R83-I85 HydrophobicContact CB-CG1 4.48Å
84	P	43.7	Very low	33.5	Very low	118 Å²	118	123.2 Å²	123.2	77%	0.766	80%	0.799	S	S	*	*				-129.1	164.3	119.5	37.9	-32.1	0	0	0	112
85	I	29.3	Very low	33.4	Very low	133 Å²	133	128 Å²	128	68%	0.682	80%	0.802	S	S	*	*			cis	96.2	100.3	4	-51.6	166.5	0	0	0	116.8	R83	R83-I85 HydrophobicContact CB-CD1 4.28Å; R83-I85 HydrophobicContact CB-CG1 4.48Å
86	L	29.3	Very low	32.9	Very low	175 Å²	175	130.2 Å²	130.2	92%	0.916	80%	0.798	S	S	*	*			trans	63	156.4	158.9	-80.9	166.1	0	0	0	121.1
87	A	33.4	Very low	32.8	Very low	86 Å²	86	134.1 Å²	134.1	71%	0.711	81%	0.809	S	S	*	*			trans	-110.7	169.1	179.4	0	0	0	0	0	111.7
88	P	40.8	Very low	33	Very low	130 Å²	130	130 Å²	130	84%	0.844	80%	0.801	S	S	*	*			trans	-140.1	-178.8	140.8	39.1	-25.3	0	0	0	115.3
89	L	26.6	Very low	34.2	Very low	154 Å²	154	132.2 Å²	132.2	81%	0.806	81%	0.808	S	S	*	*			trans	-83.4	163.4	-174	-101.1	65.4	0	0	0	115.4
90	C	26.6	Very low	34.2	Very low	114 Å²	114	127.6 Å²	127.6	77%	0.77	79%	0.794	S	S	*	*			trans	48.7	133.2	141.4	-61.6	0	0	0	0	122.5
91	T	37.9	Very low	34.5	Very low	133 Å²	133	132 Å²	132	82%	0.816	80%	0.799	S	S	*	*			trans	-70.9	156.7	153.7	51.6	0	0	0	0	110.9
92	P	42.9	Very low	35.5	Very low	126 Å²	126	131.2 Å²	131.2	82%	0.818	79%	0.792	S	S	*	*				-153.7	142.6	88.4	37.8	-17.8	0	0	0	118.9
93	G	30.7	Very low	34.7	Very low	80 Å²	80	131.5 Å²	131.5	83%	0.825	79%	0.791	S	S	*	*			trans	37.8	108.9	136.4	0	0	0	0	0	125.3
94	G	29.9	Very low	34.4	Very low	74 Å²	74	125.9 Å²	125.9	76%	0.763	79%	0.786	S	S	*	*				88.6	148.2	101.5	0	0	0	0	0	122.3
95	Q	26.6	Very low	33.7	Very low	172 Å²	172	127.2 Å²	127.2	80%	0.804	79%	0.792	S	S	*	*			trans	-173.6	125.7	146.2	-105.2	179.8	97.3	0	0	110.8
96	K	32	Very low	33.7	Very low	180 Å²	180	124 Å²	124	78%	0.783	79%	0.792	S	S	*	*				66.9	120.9	99.2	-77.8	-172.1	-177.8	175.6	0	117.7
97	T	28.4	Very low	33.5	Very low	151 Å²	151	124.2 Å²	124.2	93%	0.926	79%	0.788	S	S	*	*				-166.3	132.7	115.8	24.4	0	0	0	0	112.4
98	A	31.1	Very low	33	Very low	96 Å²	96	126.7 Å²	126.7	79%	0.793	79%	0.788	S	S	*	*			trans	-155	145.6	158.2	0	0	0	0	0	108.7
99	P	55.2	Low	32.1	Very low	129 Å²	129	126 Å²	126	84%	0.838	78%	0.781	S	S	*	*			trans	-91.3	164	179.2	38.8	-36.4	0	0	0	111.9
100	A	29.7	Very low	31.8	Very low	72 Å²	72	126.4 Å²	126.4	60%	0.595	78%	0.781	S	S	*	*			cis	-157.1	149.6	6.7	0	0	0	0	0	113.7
101	H	34.1	Very low	31.7	Very low	180 Å²	180	125.9 Å²	125.9	83%	0.833	78%	0.779	S	S	*	*			trans	58.9	155.3	147.8	-58.2	-52.5	0	0	0	122.1
102	P	56.8	Low	31.2	Very low	103 Å²	103	123.3 Å²	123.3	67%	0.669	77%	0.771	S	S	*	*			cis	-137.2	167.1	-36.5	37.4	-21.1	0	0	0	115.7
103	T	29.2	Very low	30.7	Very low	134 Å²	134	123 Å²	123	82%	0.822	77%	0.771	S	S	*	*			trans	64.9	119.7	152.2	41.5	0	0	0	0	123.3
104	S	27.2	Very low	30.9	Very low	103 Å²	103	124 Å²	124	72%	0.72	77%	0.773	S	S	*	*				93.3	102.3	127.3	-166.8	0	0	0	0	123.4
105	V	29.3	Very low	31	Very low	147 Å²	147	123.9 Å²	123.9	89%	0.891	77%	0.771	S	S	*	*			trans	67.3	141.2	133.5	-177.2	0	0	0	0	120.9
106	G	30	Very low	32	Very low	66 Å²	66	122 Å²	122	68%	0.68	77%	0.774	S	S	*	*			trans	112.4	123.5	178.9	0	0	0	0	0	110.9
107	Q	25.1	Very low	32.1	Very low	179 Å²	179	122.5 Å²	122.5	84%	0.836	78%	0.776	S	S	*	*			cis	73.6	139.9	22.8	-140	-161.1	5.7	0	0	115.2
108	L	23.7	Very low	32.6	Very low	138 Å²	138	120.8 Å²	120.8	72%	0.723	77%	0.767	S	S	*	*			trans	66.6	145.6	-172.6	-79.3	63.3	0	0	0	113.2
109	V	20.3	Very low	32.9	Very low	114 Å²	114	121.6 Å²	121.6	69%	0.691	76%	0.764	S	S	*	*			cis	82.7	111	32.9	178.4	0	0	0	0	113.3
110	M	21.1	Very low	32	Very low	163 Å²	163	121.3 Å²	121.3	80%	0.803	76%	0.763	S	S	*	*			trans	67	145.4	156.4	-72.3	176.6	66.3	0	0	120.9
111	S	23.9	Very low	32.6	Very low	104 Å²	104	122.5 Å²	122.5	73%	0.727	77%	0.773	S	S	*	*			trans	74.9	155.1	138.7	-73.1	0	0	0	0	120.4
112	A	28.3	Very low	32.7	Very low	78 Å²	78	120.3 Å²	120.3	65%	0.645	77%	0.772	S	S	*	*			cis	-173.1	178.1	-21.6	0	0	0	0	0	110.7
113	S	31.4	Very low	31.2	Very low	119 Å²	119	122.4 Å²	122.4	83%	0.832	78%	0.783	S	S	*	*			trans	76.2	154.9	151.4	79.2	0	0	0	0	117.8
114	A	34.9	Very low	31	Very low	103 Å²	103	119.1 Å²	119.1	85%	0.851	78%	0.776	S	S	*	*			cis	-170	158.4	-27.4	0	0	0	0	0	106.7
115	G	32.4	Very low	31.1	Very low	70 Å²	70	120 Å²	120	72%	0.722	78%	0.782	S	S	*	*			cis	-172.7	-147	1.4	0	0	0	0	0	107.2
116	P	49	Very low	31	Very low	133 Å²	133	119.4 Å²	119.4	86%	0.864	78%	0.779	S	S	*	*			cis	-129.3	-178	-4.1	41.6	-25.1	0	0	0	115.2
117	K	32	Very low	30.7	Very low	190 Å²	190	123.7 Å²	123.7	83%	0.826	79%	0.785	S	S	*	*			trans	-31.9	161.1	166	-87.6	178.3	179.2	178.4	0	117.7
118	P	40.2	Very low	31.4	Very low	116 Å²	116	119.5 Å²	119.5	75%	0.753	78%	0.781	S	S	*	*			cis	-135.4	-158.3	40.1	45	-25.6	0	0	0	115
119	P	37.5	Very low	31.8	Very low	112 Å²	112	119 Å²	119	73%	0.727	79%	0.786	S	S	*	*				-127.3	-167.9	-93	48.5	-30.2	0	0	0	111.5
120	P	36.8	Very low	32.4	Very low	124 Å²	124	120.3 Å²	120.3	81%	0.805	79%	0.794	S	S	*	*				-121.6	167	-125.4	30.6	-8.3	0	0	0	116.5
121	A	41	Very low	32.9	Very low	97 Å²	97	117.8 Å²	117.8	80%	0.802	79%	0.793	S	S	*	*			trans	-125.6	82	168.3	0	0	0	0	0	111.3
122	T	36.8	Very low	33.1	Very low	134 Å²	134	120.9 Å²	120.9	82%	0.822	80%	0.8	S	S	*	*			trans	-170.9	114.2	161	2.3	0	0	0	0	113.9
123	T	26	Very low	33.1	Very low	146 Å²	146	120.3 Å²	120.3	90%	0.896	80%	0.802	S	S	*	*			trans	-174.6	139.6	137.9	28.2	0	0	0	0	106.2
124	G	25.2	Very low	32.9	Very low	66 Å²	66	123.6 Å²	123.6	68%	0.68	80%	0.804	S	S	*	*			cis	115	104.2	4.7	0	0	0	0	0	111.5
125	S	29.3	Very low	32.4	Very low	121 Å²	121	125.7 Å²	125.7	85%	0.846	80%	0.8	S	S	*	*			trans	54.7	134.4	167.8	-161.5	0	0	0	0	119.1
126	V	25.6	Very low	32	Very low	135 Å²	135	127.7 Å²	127.7	82%	0.818	80%	0.798	S	S	*	*				-167.8	161.4	129	133.6	0	0	0	0	111.3
127	L	25.3	Very low	30.9	Very low	156 Å²	156	129.4 Å²	129.4	82%	0.817	80%	0.797	S	S	*	*			trans	-63.6	168.2	-174.5	-61.7	129.4	0	0	0	115.1
128	A	38.9	Very low	30.7	Very low	90 Å²	90	125.2 Å²	125.2	74%	0.744	79%	0.791	S	S	*	*			trans	-64.7	170.1	163.7	0	0	0	0	0	112.4
129	P	32.7	Very low	31	Very low	128 Å²	128	125.5 Å²	125.5	83%	0.831	79%	0.793	S	S	*	*				-137.8	150.4	111.1	37.9	-28.8	0	0	0	115.2
130	T	32.9	Very low	30.5	Very low	141 Å²	141	125.5 Å²	125.5	87%	0.865	80%	0.796	S	S	*	*			trans	-90.5	142.3	160.6	22.2	0	0	0	0	110.8
131	S	30.5	Very low	30.1	Very low	111 Å²	111	124.2 Å²	124.2	78%	0.776	80%	0.796	S	S	*	*			trans	-166.9	164.9	144.2	-155.9	0	0	0	0	112.8
132	L	28.9	Very low	29.5	Very low	168 Å²	168	123 Å²	123	88%	0.88	79%	0.792	S	S	*	*			trans	-36.2	158.5	-175.6	-77.2	61.6	0	0	0	118.4
133	G	27	Very low	30.2	Very low	66 Å²	66	122 Å²	122	68%	0.68	79%	0.788	S	S	*	*			cis	149.1	157.1	-6.1	0	0	0	0	0	115
134	Q	27.6	Very low	30.5	Very low	188 Å²	188	126.3 Å²	126.3	88%	0.879	79%	0.788	S	S	*	*			trans	66.3	160.6	171.3	-61.3	-175.1	-12.1	0	0	116.7
135	L	24.6	Very low	30.8	Very low	148 Å²	148	128 Å²	128	78%	0.775	79%	0.79	S	S	*	*			cis	-141.4	157.5	1.4	-158.3	73	0	0	0	113.1
136	V	25.2	Very low	32.3	Very low	112 Å²	112	127.5 Å²	127.5	68%	0.679	78%	0.784	S	S	*	*			trans	-49.6	148.3	173.3	-179.5	0	0	0	0	116.8
137	M	24.3	Very low	33.9	Very low	168 Å²	168	126.4 Å²	126.4	83%	0.828	78%	0.779	S	S	*	*			trans	178.4	154.2	131.6	-97.4	-71.7	112.1	0	0	115.7
138	S	28.3	Very low	34.3	Very low	102 Å²	102	123.4 Å²	123.4	71%	0.713	78%	0.777	S	S	*	*			trans	-120.5	-173.4	162.1	-50.7	0	0	0	0	107.5
139	P	45.9	Very low	34.1	Very low	123 Å²	123	124.8 Å²	124.8	80%	0.799	78%	0.776	S	S	*	*			cis	-136.9	-156.5	-7.2	40.8	-19.5	0	0	0	113.8
140	S	27.4	Very low	33.9	Very low	111 Å²	111	126.9 Å²	126.9	78%	0.776	78%	0.779	S	S	*	*			trans	105.3	108.4	143.8	-149.4	0	0	0	0	123.2
141	A	29.3	Very low	33.4	Very low	97 Å²	97	123.5 Å²	123.5	80%	0.802	77%	0.772	S	S	*	*			trans	42.2	119.7	131.9	0	0	0	0	0	126.8
142	G	28.1	Very low	34.8	Very low	71 Å²	71	124.4 Å²	124.4	73%	0.732	78%	0.775	S	S	*	*			trans	93.1	-179.2	130.2	0	0	0	0	0	119.7
143	P	50.4	Low	34.9	Very low	113 Å²	113	121.1 Å²	121.1	73%	0.734	77%	0.767	S	S	*	*			cis	-146.1	173.8	-18.5	43.1	-25.8	0	0	0	117.5
144	R	32.3	Very low	35	Very low	237 Å²	237	126 Å²	126	89%	0.894	78%	0.777	S	S	*	*			trans	72.1	156.6	149	-79.1	174.2	179.4	174.1	-0.4	120.4
145	S	31.4	Very low	35.2	Very low	102 Å²	102	121 Å²	121	71%	0.713	77%	0.767	S	S	*	*			cis	-159.1	-144.9	-9.4	46.2	0	0	0	0	115.2
146	P	62.1	Low	36.3	Very low	111 Å²	111	119.4 Å²	119.4	72%	0.721	77%	0.765	S	S	*	*				-122.1	-147	-122	43.1	-20.1	0	0	0	112.8
147	P	58.1	Low	36.5	Very low	112 Å²	112	120.2 Å²	120.2	73%	0.727	77%	0.771	S	S	*	*			cis	-140.2	174.5	-11.3	42.9	-24.6	0	0	0	118.6
148	A	33.9	Very low	36.8	Very low	92 Å²	92	118 Å²	118	76%	0.76	77%	0.772	S	S	*	*			trans	59.7	164.5	142.3	0	0	0	0	0	123.9
149	T	34.1	Very low	36.9	Very low	119 Å²	119	123.4 Å²	123.4	73%	0.73	78%	0.777	S	S	*	*			cis	175.8	143.7	-35.9	-60.5	0	0	0	0	107.2
150	L	28.6	Very low	36.2	Very low	173 Å²	173	122.8 Å²	122.8	91%	0.906	77%	0.767	S	S	*	*			trans	139.6	153.9	138.8	-73	171.4	0	0	0	116.1
151	G	23.7	Very low	36.2	Very low	69 Å²	69	124.1 Å²	124.1	71%	0.711	76%	0.761	S	S	*	*			trans	-118	-145	170.4	0	0	0	0	0	111.1
152	P	59.7	Low	36.2	Very low	130 Å²	130	126.9 Å²	126.9	84%	0.844	75%	0.754	S	S	*	*			cis	-141.7	-161	-4.6	41.6	-20.6	0	0	0	114.9
153	S	29.8	Very low	36.1	Very low	100 Å²	100	131.4 Å²	131.4	70%	0.699	76%	0.757	S	S	*	*			trans	108.6	131.3	138	-127.6	0	0	0	0	124.2
154	L	29.6	Very low	34.9	Very low	169 Å²	169	134.4 Å²	134.4	89%	0.885	76%	0.761	S	S	*	*			trans	70.4	154.3	142.2	-76.2	165.4	0	0	0	125.3
155	A	32.8	Very low	36.1	Very low	81 Å²	81	128.1 Å²	128.1	67%	0.669	75%	0.751	S	S	*	*			trans	-128.7	177.4	170.2	0	0	0	0	0	109.3
156	P	47.1	Very low	37	Very low	115 Å²	115	128.3 Å²	128.3	75%	0.747	75%	0.75	S	S	*	*				-160.5	165.7	96.7	42.6	-23	0	0	0	119.4
157	T	29.6	Very low	35.6	Very low	129 Å²	129	127.8 Å²	127.8	79%	0.791	75%	0.754	S	S	*	*			trans	25	127.7	146.9	61.4	0	0	0	0	124.3
158	S	30.6	Very low	34.3	Very low	123 Å²	123	127.7 Å²	127.7	86%	0.86	76%	0.757	S	S	*	*				167.4	163.7	127.1	46	0	0	0	0	110.9
159	R	30.1	Very low	34.1	Very low	214 Å²	214	129.6 Å²	129.6	81%	0.808	76%	0.758	S	S	*	*			cis	-166.9	159.8	-40.6	-162.8	-173.5	174.5	161.4	4.8	106.9
160	D	31	Very low	33.9	Very low	110 Å²	110	127 Å²	127	59%	0.588	76%	0.756	S	S	*	*			trans	67.2	158.1	158.7	-67.7	-34.5	0	0	0	118.8
161	Q	28	Very low	34.9	Very low	139 Å²	139	125.1 Å²	125.1	65%	0.65	75%	0.754	S	S	*	*			cis	-164.5	164.6	-37.9	-131.3	-178.1	87.2	0	0	110.5
162	K	28.5	Very low	35.2	Very low	155 Å²	155	131.2 Å²	131.2	67%	0.674	76%	0.761	S	S	*	*			trans	72.8	131.3	145.1	-83.7	173.4	158	-166.4	0	124.4
163	Q	26.4	Very low	34.6	Very low	167 Å²	167	130.1 Å²	130.1	78%	0.78	75%	0.754	S	S	*	*				93.6	138.5	129.5	-76.1	175.2	-82.2	0	0	123
164	E	25.8	Very low	34.6	Very low	176 Å²	176	131 Å²	131	82%	0.822	76%	0.755	S	S	*	*			trans	-110.2	-154.8	177.4	-28.5	165.2	101.1	0	0	109.7
165	P	56.5	Low	34.5	Very low	105 Å²	105	130.4 Å²	130.4	68%	0.682	75%	0.752	S	S	*	*			cis	-122.5	-43	-31.4	19.6	-6.1	0	0	0	123.1
166	P	50.3	Low	34.3	Very low	106 Å²	106	131 Å²	131	69%	0.688	76%	0.757	S	S	*	*				-129.9	150.3	-113.9	36.4	-19.4	0	0	0	119.8
167	A	33.2	Very low	33.3	Very low	99 Å²	99	129.9 Å²	129.9	82%	0.818	76%	0.757	S	S	*	*			trans	70.1	150.9	142.2	0	0	0	0	0	119.5
168	S	32	Very low	33.3	Very low	111 Å²	111	130 Å²	130	78%	0.776	76%	0.764	S	S	*	*			cis	-154.7	-179.2	-9.3	46.6	0	0	0	0	107.8
169	V	28.4	Very low	33.1	Very low	131 Å²	131	127.4 Å²	127.4	79%	0.794	76%	0.756	S	S	*	*			cis	-141.5	160.5	20.2	179.4	0	0	0	0	105.8
170	G	29.5	Very low	32.8	Very low	66 Å²	66	125.3 Å²	125.3	68%	0.68	76%	0.76	S	S	*	*			cis	107	159.3	23.9	0	0	0	0	0	110.6
171	P	51.3	Low	32.7	Very low	133 Å²	133	124.2 Å²	124.2	86%	0.864	76%	0.761	S	S	*	*			cis	-126	-163.4	4.8	41.9	-24.5	0	0	0	115.1
172	K	30	Very low	32.6	Very low	196 Å²	196	125.3 Å²	125.3	85%	0.852	77%	0.77	S	S	*	*			trans	-79.2	-176.2	-177.9	-66	179.1	173.8	176.9	0	112.7
173	P	45.9	Very low	32.4	Very low	108 Å²	108	121.2 Å²	121.2	70%	0.701	77%	0.765	S	S	*	*			cis	-153.7	170.1	18.1	44.6	-22	0	0	0	123
174	T	29.7	Very low	32.5	Very low	117 Å²	117	121.7 Å²	121.7	72%	0.718	77%	0.772	S	S	*	*			trans	74.7	138.1	138	41.3	0	0	0	0	128.1
175	L	28.1	Very low	32.5	Very low	157 Å²	157	117.1 Å²	117.1	82%	0.822	76%	0.764	S	S	*	*			trans	69.3	136.5	146.3	-61.8	160.7	0	0	0	118.9
176	A	27.6	Very low	31	Very low	95 Å²	95	116.8 Å²	116.8	79%	0.785	77%	0.765	S	S	*	*			cis	81.8	145.5	38.1	0	0	0	0	0	113.8
177	A	26.2	Very low	29.9	Very low	91 Å²	91	119.1 Å²	119.1	75%	0.752	77%	0.766	S	S	*	*			cis	-138.8	169.8	13.3	0	0	0	0	0	109.7
178	S	29.8	Very low	29.6	Very low	132 Å²	132	121.9 Å²	121.9	92%	0.923	76%	0.762	S	S	*	*			cis	75	115	43.9	-61.5	0	0	0	0	117.8
179	G	25.9	Very low	29.3	Very low	68 Å²	68	124.5 Å²	124.5	70%	0.701	76%	0.762	S	S	*	*			trans	166.3	128.8	172.1	0	0	0	0	0	108.6
180	L	25	Very low	30.1	Very low	170 Å²	170	123.4 Å²	123.4	89%	0.89	76%	0.758	S	S	*	*				63.9	133.7	55.3	-60.9	176.9	0	0	0	112.2
181	S	27.7	Very low	30.8	Very low	86 Å²	86	125.2 Å²	125.2	60%	0.601	76%	0.758	S	S	*	*			cis	-166	167.1	16.4	-134.8	0	0	0	0	113.9
182	L	26.9	Very low	29.6	Very low	163 Å²	163	127.8 Å²	127.8	85%	0.853	76%	0.758	S	S	*	*			trans	63	158.5	152.4	-61.1	162.4	0	0	0	119.6
183	A	25	Very low	29.9	Very low	68 Å²	68	126.2 Å²	126.2	56%	0.562	76%	0.758	S	S	*	*			cis	-176.2	153.8	-29.6	0	0	0	0	0	111
184	L	27.1	Very low	29.9	Very low	178 Å²	178	127.2 Å²	127.2	93%	0.932	77%	0.765	S	S	*	*			trans	61.5	161.9	156.9	-63.4	159.5	0	0	0	116.2
185	A	26.6	Very low	30	Very low	79 Å²	79	126.3 Å²	126.3	65%	0.653	76%	0.763	S	S	*	*			cis	-136.6	159	-9.5	0	0	0	0	0	106.6
186	S	25.6	Very low	30.3	Very low	99 Å²	99	124.9 Å²	124.9	69%	0.692	76%	0.761	S	S	*	*				43.9	136.7	73.1	-71.8	0	0	0	0	114.1
187	E	26.3	Very low	31.6	Very low	155 Å²	155	125.9 Å²	125.9	72%	0.724	76%	0.759	S	S	*	*			cis	-156.2	-172.2	11.3	-127.6	155.8	144.7	0	0	111.8
188	E	26.3	Very low	32.1	Very low	157 Å²	157	127.1 Å²	127.1	73%	0.734	76%	0.763	S	S	*	*			trans	32.9	150.4	147	-71.2	-179.1	133	0	0	122.8
189	Q	26.4	Very low	33.3	Very low	166 Å²	166	126.8 Å²	126.8	78%	0.776	76%	0.758	S	S	*	*			cis	-169.3	178.8	-20.3	-119.6	-162.9	-2.6	0	0	107.1
190	P	46.3	Very low	33.7	Very low	107 Å²	107	129.4 Å²	129.4	70%	0.695	76%	0.76	S	S	*	*			trans	-81.8	-173.1	176.5	40.1	-38.7	0	0	0	111.4
191	P	43.2	Very low	34.9	Very low	105 Å²	105	127.2 Å²	127.2	68%	0.682	76%	0.756	S	S	*	*			cis	-150.3	-171.4	19.9	44.7	-22.1	0	0	0	119.6
192	E	25.2	Very low	35.2	Very low	187 Å²	187	128.1 Å²	128.1	87%	0.874	76%	0.762	S	S	*	*			trans	76.2	157.3	144.9	-87.8	177.4	162.1	0	0	124.3
193	L	37.8	Very low	36.3	Very low	162 Å²	162	126.5 Å²	126.5	85%	0.848	76%	0.761	S	S	*	*			trans	-95	159.4	172.9	-76.9	148.3	0	0	0	109.9
194	P	46.2	Very low	36.5	Very low	129 Å²	129	129.3 Å²	129.3	84%	0.838	77%	0.771	S	S	*	*				-143.1	-165.9	118	36.6	-21.2	0	0	0	114.4
195	S	30.1	Very low	36.6	Very low	99 Å²	99	128.9 Å²	128.9	69%	0.692	77%	0.769	S	S	*	*			trans	-128.1	156.1	-156.4	55.9	0	0	0	0	115.8
196	T	34.4	Very low	36.8	Very low	126 Å²	126	130.3 Å²	130.3	77%	0.773	77%	0.774	S	S	*	*			trans	29	145.8	142.3	64	0	0	0	0	121.7
197	P	55.7	Low	37.6	Very low	116 Å²	116	131.8 Å²	131.8	75%	0.753	78%	0.781	S	S	*	*				-154.5	146.9	102.7	37.3	-19.5	0	0	0	118.9
198	S	36.3	Very low	37.6	Very low	118 Å²	118	129.7 Å²	129.7	83%	0.825	78%	0.784	S	S	*	*				50.3	169	127.3	-54.2	0	0	0	0	122.7
199	P	54.6	Low	37.7	Very low	125 Å²	125	130.8 Å²	130.8	81%	0.812	79%	0.789	S	S	*	*			cis	-132.1	-164.6	7.2	43.4	-24.9	0	0	0	116.6
200	V	34.8	Very low	37.7	Very low	123 Å²	123	130 Å²	130	75%	0.745	79%	0.785	S	S	*	*			trans	-113.4	173.9	-171	-145.6	0	0	0	0	111.9
201	P	51.2	Low	36.8	Very low	124 Å²	124	133 Å²	133	81%	0.805	79%	0.79	S	S	*	*				-146.6	172.4	91.7	37.8	-19.6	0	0	0	117
202	S	32.1	Very low	36.4	Very low	104 Å²	104	132.1 Å²	132.1	73%	0.727	79%	0.792	S	S	*	*			trans	-95.7	-169.1	-174.7	-37.9	0	0	0	0	112.8
203	P	51.1	Low	36.7	Very low	129 Å²	129	131.6 Å²	131.6	84%	0.838	79%	0.794	S	S	*	*				-144.2	-157.6	54	41.1	-18.3	0	0	0	115.8
204	V	29	Very low	36.4	Very low	128 Å²	128	127.5 Å²	127.5	78%	0.776	78%	0.783	S	S	*	*			trans	-129.3	150.6	-163.1	175.2	0	0	0	0	110.8
205	L	28.9	Very low	36.8	Very low	168 Å²	168	126.9 Å²	126.9	88%	0.88	78%	0.78	S	S	*	*			trans	166.8	152.9	133.8	-90	166.1	0	0	0	113.7
206	S	31.5	Very low	36.9	Very low	109 Å²	109	127 Å²	127	76%	0.762	79%	0.786	S	S	*	*			trans	-88.8	161.3	165.4	-45.4	0	0	0	0	110.4
207	P	41.3	Very low	36.8	Very low	131 Å²	131	125.7 Å²	125.7	85%	0.851	78%	0.782	S	S	*	*				-149.8	-158	87.5	41.3	-22.3	0	0	0	114.4
208	S	27	Very low	35.6	Very low	111 Å²	111	126.7 Å²	126.7	78%	0.776	79%	0.786	S	S	*	*			trans	-82.3	147.9	-167.2	-44.7	0	0	0	0	116.5
209	Q	28.9	Very low	35.2	Very low	179 Å²	179	125.2 Å²	125.2	84%	0.836	78%	0.781	S	S	*	*				42.7	151.7	130	-151.2	171.6	-17	0	0	122.3
210	E	26.8	Very low	34	Very low	151 Å²	151	125.1 Å²	125.1	71%	0.706	78%	0.784	S	S	*	*			trans	76.6	154.8	170.1	-54.6	-156	84.4	0	0	117.5
211	Q	27.3	Very low	33.7	Very low	169 Å²	169	122.7 Å²	122.7	79%	0.79	78%	0.783	S	S	*	*			cis	-153.3	-179.6	-31.5	-110.2	-154.3	68.5	0	0	109.3
212	A	34.6	Very low	33.9	Very low	87 Å²	87	122.8 Å²	122.8	72%	0.719	78%	0.784	S	S	*	*			trans	-82.8	167.4	177.3	0	0	0	0	0	113.9
213	L	30.3	Very low	33.7	Very low	175 Å²	175	122.2 Å²	122.2	92%	0.916	79%	0.786	S	S	*	*			trans	-170.1	151.2	165.8	-101.1	163.9	0	0	0	106.9
214	A	31.2	Very low	32.7	Very low	76 Å²	76	121 Å²	121	63%	0.628	78%	0.781	S	S	*	*			cis	-158.9	-163.2	4	0	0	0	0	0	107.5
215	P	55.9	Low	32.7	Very low	117 Å²	117	122.1 Å²	122.1	76%	0.76	79%	0.787	S	S	*	*			cis	-141	174	-3.6	42.7	-24.6	0	0	0	118.1
216	A	31.9	Very low	32.5	Very low	101 Å²	101	117.4 Å²	117.4	84%	0.835	78%	0.779	S	S	*	*			trans	72.3	147	149.9	0	0	0	0	0	119.2
217	S	32.2	Very low	32.3	Very low	99 Å²	99	120.8 Å²	120.8	69%	0.692	78%	0.783	S	S	*	*			cis	-152.5	165.4	9.4	61.4	0	0	0	0	115.9
218	T	30.2	Very low	31.6	Very low	136 Å²	136	120.6 Å²	120.6	83%	0.834	78%	0.779	S	S	*	*			trans	78.2	131.1	147.5	36.8	0	0	0	0	124.6
219	A	28.1	Very low	33	Very low	87 Å²	87	120.7 Å²	120.7	72%	0.719	78%	0.777	S	S	*	*			trans	104.7	93.2	144.1	0	0	0	0	0	122.3
220	S	30.6	Very low	32.9	Very low	124 Å²	124	116.6 Å²	116.6	87%	0.867	78%	0.775	S	S	*	*			trans	50.6	129.7	139.5	52.1	0	0	0	0	123.8
221	G	27.3	Very low	33	Very low	71 Å²	71	120.7 Å²	120.7	73%	0.732	78%	0.784	S	S	*	*			trans	-99.7	-136.3	166.8	0	0	0	0	0	113.4
222	P	55.4	Low	33.1	Very low	127 Å²	127	122 Å²	122	83%	0.825	79%	0.787	S	S	*	*			cis	-142.6	-171.7	6	44.4	-25.6	0	0	0	117
223	A	27.7	Very low	33.1	Very low	92 Å²	92	128.3 Å²	128.3	76%	0.76	79%	0.792	S	S	*	*			trans	75.9	153.7	153.6	0	0	0	0	0	121.1
224	S	29.7	Very low	33	Very low	104 Å²	104	126.5 Å²	126.5	73%	0.727	78%	0.783	S	S	*	*			cis	-170.7	167.8	-29	64.4	0	0	0	0	112.7
225	V	29.2	Very low	33.3	Very low	150 Å²	150	127.1 Å²	127.1	91%	0.909	79%	0.788	S	S	*	*			trans	71.3	139.4	157.9	176	0	0	0	0	120
226	G	25.7	Very low	33.2	Very low	70 Å²	70	127.9 Å²	127.9	72%	0.722	79%	0.793	S	S	*	*			trans	150.3	123	156.2	0	0	0	0	0	115.9
227	Q	26.4	Very low	33.5	Very low	180 Å²	180	127.4 Å²	127.4	84%	0.841	79%	0.789	S	S	*	*			trans	-138.8	166.3	173.2	-68.2	-173.6	-9.2	0	0	111.9
228	T	27.5	Very low	34.6	Very low	126 Å²	126	128.7 Å²	128.7	77%	0.773	80%	0.795	S	S	*	*			trans	83.1	177	158.1	82	0	0	0	0	117.3
229	P	55.5	Low	35	Very low	113 Å²	113	132.4 Å²	132.4	73%	0.734	79%	0.794	S	S	*	*				-146.9	175.2	-103	43	-20.7	0	0	0	119.7
230	A	28.1	Very low	36.1	Very low	94 Å²	94	134.1 Å²	134.1	78%	0.777	80%	0.798	S	S	*	*			trans	72.1	160.9	142.7	0	0	0	0	0	124.3
231	R	28.5	Very low	36.7	Very low	237 Å²	237	134.9 Å²	134.9	89%	0.894	79%	0.791	S	S	*	*			trans	77.8	109.9	157	-76.1	-172.6	171.7	-164.7	0.2	123.5
232	K	29.8	Very low	38.5	Very low	196 Å²	196	137.1 Å²	137.1	85%	0.852	79%	0.793	S	S	*	*				42.7	142.2	119.4	-89.8	-173.8	173.9	-179.7	0	123.6
233	R	34.3	Very low	37.5	Very low	219 Å²	219	135 Å²	135	83%	0.826	79%	0.786	S	S	*	*			trans	78	155.5	154.6	-90.7	-176.5	169.8	174.6	-0.3	117
234	D	28.3	Very low	38	Very low	138 Å²	138	135.4 Å²	135.4	74%	0.738	78%	0.784	S	S	*	*			cis	-137.8	-171.4	11.3	-111.3	-43.5	0	0	0	114.2
235	A	36.5	Very low	38.1	Very low	88 Å²	88	140.1 Å²	140.1	73%	0.727	79%	0.794	S	S	*	*			trans	-107.7	-169.6	-179.7	0	0	0	0	0	112.7
236	P	53.9	Low	38.2	Very low	133 Å²	133	136.5 Å²	136.5	86%	0.864	79%	0.787	S	S	*	*				-150.9	-158.7	54.8	42.9	-18.9	0	0	0	117.6
237	A	38.1	Very low	38.4	Very low	92 Å²	92	142.1 Å²	142.1	76%	0.76	79%	0.794	S	S	*	*			trans	-85.9	-164.7	-166.3	0	0	0	0	0	115.2
238	P	56.1	Low	38.5	Very low	126 Å²	126	141.2 Å²	141.2	82%	0.818	79%	0.794	S	S	*	*			cis	-145.5	-172.2	35.3	42.8	-20	0	0	0	119.4
239	R	38.7	Very low	38.5	Very low	213 Å²	213	144 Å²	144	80%	0.804	80%	0.799	S	S	*	*			trans	-115.3	179.7	171.3	-73.9	-177	174.1	178.3	-2.5	111.4
240	P	50.5	Low	38.2	Very low	124 Å²	124	143.3 Å²	143.3	81%	0.805	79%	0.794	S	S	*	*			trans	-133.8	164.6	133.3	37.3	-26	0	0	0	116.4
241	L	42.9	Very low	39.4	Very low	139 Å²	139	144.5 Å²	144.5	73%	0.728	79%	0.794	S	S	*	*			trans	-163.9	176.3	179.9	-85.4	-173.2	0	0	0	108.6
242	P	65.4	Low	40.5	Very low	118 Å²	118	138.8 Å²	138.8	77%	0.766	79%	0.787	S	S	*	*			cis	-111	-117.9	10	21.2	5.2	0	0	0	114.2
243	A	34.9	Very low	40.7	Very low	83 Å²	83	137.6 Å²	137.6	69%	0.686	79%	0.785	S	S	*	*			cis	-168.6	169	7.5	0	0	0	0	0	109.8
244	S	37.6	Very low	40.6	Very low	101 Å²	101	133 Å²	133	71%	0.706	78%	0.782	S	S	*	*			cis	-171.7	161.5	-24.7	-86.8	0	0	0	0	111.6
245	E	32.6	Very low	40.8	Very low	202 Å²	202	132 Å²	132	94%	0.944	79%	0.785	S	S	*	*			trans	66.8	173.7	155.4	-73.1	175.5	-173.9	0	0	122.2
246	G	30.3	Very low	40.6	Very low	74 Å²	74	130.9 Å²	130.9	76%	0.763	78%	0.782	S	S	*	*			trans	174.9	-154.5	-173.3	0	0	0	0	0	115.6
247	H	29.8	Very low	40.7	Very low	189 Å²	189	130.3 Å²	130.3	88%	0.875	78%	0.779	S	S	*	*			trans	98.2	155.7	175.7	-142	68.3	0	0	0	118.4
248	L	30.2	Very low	40.4	Very low	160 Å²	160	132.5 Å²	132.5	84%	0.838	78%	0.783	S	S	*	*			trans	79.2	179.9	174.2	-56.4	179	0	0	0	119.9
249	Q	25.8	Very low	39.1	Very low	185 Å²	185	129.8 Å²	129.8	86%	0.864	78%	0.778	S	S	*	*			trans	-125.1	-151.4	-137.1	-145.2	-160.6	7	0	0	115.9
250	P	49.6	Very low	38.8	Very low	99 Å²	99	125.4 Å²	125.4	64%	0.643	78%	0.779	S	S	*	*			trans	-92.6	-172.3	-146	46.1	-34.3	0	0	0	113.6
251	P	54.7	Low	38.9	Very low	119 Å²	119	125 Å²	125	77%	0.773	78%	0.777	S	S	*	*			cis	-129.7	-139.3	11.7	38.5	-13.2	0	0	0	111.1
252	P	50.5	Low	39.5	Very low	116 Å²	116	124.1 Å²	124.1	75%	0.753	78%	0.779	S	S	*	*			cis	-133	-93.4	-3.3	36.3	-11.5	0	0	0	118
253	Q	34.4	Very low	37.9	Very low	172 Å²	172	123.3 Å²	123.3	80%	0.804	78%	0.776	S	S	*	*			trans	-149.1	164.4	-164.2	-53.4	173.9	12.8	0	0	108
254	T	31.2	Very low	38.2	Very low	123 Å²	123	126.8 Å²	126.8	76%	0.755	78%	0.782	S	S	*	*			cis	-151.5	170.6	26.4	43.6	0	0	0	0	109.6
255	S	33.2	Very low	37.9	Very low	115 Å²	115	130.6 Å²	130.6	80%	0.804	79%	0.789	S	S	*	*			cis	-167.1	-175.7	-9.4	45.6	0	0	0	0	109.2
256	G	33	Very low	37.9	Very low	65 Å²	65	126.3 Å²	126.3	67%	0.67	78%	0.776	S	S	*	*			trans	-107.8	-155.7	171.4	0	0	0	0	0	113.5
257	P	55.8	Low	37.9	Very low	122 Å²	122	128.1 Å²	128.1	79%	0.792	78%	0.777	S	S	*	*			cis	-115.9	-166.2	4.7	33.8	-13	0	0	0	112
258	T	31.7	Very low	38.7	Very low	138 Å²	138	125.3 Å²	125.3	85%	0.847	78%	0.776	S	S	*	*			cis	-163.4	156.3	23	-28	0	0	0	0	111.1
259	G	28.6	Very low	39	Very low	69 Å²	69	124.4 Å²	124.4	71%	0.711	77%	0.772	S	S	*	*			trans	104.1	139.4	160.6	0	0	0	0	0	116.5
260	S	32.4	Very low	39.9	Very low	120 Å²	120	120.7 Å²	120.7	84%	0.839	76%	0.764	S	S	*	*			trans	-162.5	176.7	-167.6	-57.3	0	0	0	0	110.7
261	P	52.6	Low	38.8	Very low	116 Å²	116	126.5 Å²	126.5	75%	0.753	77%	0.773	S	S	*	*				-134.4	-137	-54.8	42.6	-24.3	0	0	0	108.5
262	P	56.2	Low	37.6	Very low	120 Å²	120	128 Å²	128	78%	0.779	77%	0.774	S	S	*	*			cis	-127.8	-174.6	-33.6	39.5	-23.7	0	0	0	113.8
263	S	31.7	Very low	36.8	Very low	101 Å²	101	127.8 Å²	127.8	71%	0.706	78%	0.775	S	S	*	*			trans	-145.3	142.1	159.2	64.3	0	0	0	0	112.8
264	I	39.4	Very low	37	Very low	156 Å²	156	125.7 Å²	125.7	80%	0.8	78%	0.776	S	S	*	*			trans	50.7	119.7	147.6	-57.5	164.1	0	0	0	119.1
265	Q	32.5	Very low	37.1	Very low	181 Å²	181	124.8 Å²	124.8	85%	0.846	78%	0.775	S	S	*	*				178.6	-160.8	105.4	-139.3	160.9	23.7	0	0	113.3
266	T	31.7	Very low	36.8	Very low	112 Å²	112	129.4 Å²	129.4	69%	0.687	78%	0.781	S	S	*	*			trans	-105.6	152.1	-147	46.6	0	0	0	0	119.2
267	S	31.6	Very low	36.6	Very low	112 Å²	112	136.8 Å²	136.8	78%	0.783	79%	0.788	S	S	*	*			trans	60.9	165.6	151.1	66.9	0	0	0	0	120
268	P	46.5	Very low	35.1	Very low	130 Å²	130	135.6 Å²	135.6	84%	0.844	79%	0.789	S	S	*	*			cis	-121.9	-167.3	-7.6	42.1	-26.4	0	0	0	114.8
269	D	36.9	Very low	35	Very low	142 Å²	142	139.6 Å²	139.6	76%	0.759	79%	0.789	S	S	*	*			trans	-90.2	139.2	179.5	-173	39.1	0	0	0	111.8
270	P	43.8	Very low	36.1	Very low	107 Å²	107	141.2 Å²	141.2	70%	0.695	79%	0.786	S	S	*	*				-153.1	142.7	86.7	37.8	-17	0	0	0	119.2
271	R	26.6	Very low	35.9	Very low	220 Å²	220	143.8 Å²	143.8	83%	0.83	79%	0.785	S	S	*	*			trans	59.1	119.6	143.4	-62.1	-174.8	-175	-153.9	2.5	123.4
272	L	29.9	Very low	34.8	Very low	151 Å²	151	142.5 Å²	142.5	79%	0.791	78%	0.784	S	S	*	*			trans	71.7	115.4	135.1	-68.2	170.3	0	0	0	123.2
273	S	33.3	Very low	33.4	Very low	111 Å²	111	143.3 Å²	143.3	78%	0.776	78%	0.781	S	S	*	*			trans	71.2	166.4	141.3	-64.9	0	0	0	0	117.7
274	P	37.9	Very low	33.3	Very low	129 Å²	129	146.6 Å²	146.6	84%	0.838	79%	0.785	S	S	*	*			cis	-134.5	-154.7	17.1	45.1	-26.1	0	0	0	115.7
275	S	33.6	Very low	32.7	Very low	103 Å²	103	144.4 Å²	144.4	72%	0.72	78%	0.784	S	S	*	*			trans	-119.2	163.2	-171.1	52.4	0	0	0	0	114.8
276	F	26.8	Very low	32.5	Very low	212 Å²	212	141 Å²	141	93%	0.93	78%	0.78	S	S	*	*			trans	-104	135.1	161.3	-75.5	-100.8	0	0	0	108.5
277	R	28.6	Very low	33.8	Very low	220 Å²	220	141 Å²	141	83%	0.83	78%	0.782	S	S	*	*			cis	89.1	111.5	12.6	-156.2	-179.4	-162.8	-176.3	9.6	117.1
278	A	25.7	Very low	33.7	Very low	97 Å²	97	144.6 Å²	144.6	80%	0.802	79%	0.787	S	S	*	*			trans	-113.4	177.9	152.7	0	0	0	0	0	110.3
279	R	28.7	Very low	33.1	Very low	223 Å²	223	145.6 Å²	145.6	84%	0.842	79%	0.785	S	S	*	*			trans	-135.8	176	-168.4	-128.5	-170.8	156	-178	-6.2	108.8
280	P	51.8	Low	34.2	Very low	102 Å²	102	143.8 Å²	143.8	66%	0.662	78%	0.781	S	S	*	*			cis	-123.1	-161.4	-9.1	33.4	-9.4	0	0	0	111
281	E	27.8	Very low	33.6	Very low	175 Å²	175	145.2 Å²	145.2	82%	0.818	79%	0.787	S	S	*	*			cis	-138.9	155.2	15.2	-60.3	-176.6	124	0	0	110.3
282	A	29.4	Very low	34.2	Very low	89 Å²	89	142.1 Å²	142.1	74%	0.736	79%	0.786	S	S	*	*				60.9	139.7	103.4	0	0	0	0	0	116.4
283	L	26.8	Very low	35.2	Very low	136 Å²	136	141 Å²	141	71%	0.712	79%	0.788	S	S	*	*			cis	-165	149.5	-0.3	-150.4	67.8	0	0	0	111.6
284	H	30.1	Very low	35.4	Very low	170 Å²	170	147 Å²	147	79%	0.787	79%	0.794	S	S	*	*			trans	57.7	163.9	160.7	-65.8	-36.5	0	0	0	119.7
285	S	26.9	Very low	36.8	Very low	110 Å²	110	146.1 Å²	146.1	77%	0.769	79%	0.788	S	S	*	*			cis	-159.8	168	-22.4	46.7	0	0	0	0	110.9
286	S	28.4	Very low	37.8	Very low	111 Å²	111	147.2 Å²	147.2	78%	0.776	79%	0.793	S	S	*	*			trans	-85.5	-158.2	-179.6	-31.2	0	0	0	0	113.1
287	P	58.9	Low	38.3	Very low	112 Å²	112	145.7 Å²	145.7	73%	0.727	79%	0.788	S	S	*	*			cis	-129.7	-166.6	-47.9	27.1	-5	0	0	0	113.4
288	E	28.4	Very low	38.4	Very low	187 Å²	187	141.1 Å²	141.1	87%	0.874	79%	0.785	S	S	*	*			trans	138.4	151.6	131	-63.4	-147.5	124.7	0	0	118.7
289	D	34.1	Very low	38.9	Very low	151 Å²	151	143.8 Å²	143.8	81%	0.807	79%	0.785	S	S	*	*			trans	-121.8	-171.1	-178.6	-128	-31.2	0	0	0	106.6
290	P	60.8	Low	39.9	Very low	104 Å²	104	139.1 Å²	139.1	68%	0.675	78%	0.783	S	S	*	*			cis	-131	-162.8	-21	39.4	-20.3	0	0	0	112.2
291	V	30.6	Very low	39	Very low	136 Å²	136	141.6 Å²	141.6	82%	0.824	79%	0.791	S	S	*	*			trans	164.7	152.2	137.1	154.2	0	0	0	0	112.8
292	L	40.4	Very low	39.3	Very low	156 Å²	156	140.5 Å²	140.5	82%	0.817	79%	0.79	S	S	*	*			trans	-121.3	152.9	178.7	-84.6	169.2	0	0	0	111.4
293	P	50	Low	39.4	Very low	128 Å²	128	140.9 Å²	140.9	83%	0.831	79%	0.793	S	S	*	*				-152.3	-164.4	91.4	39	-17.7	0	0	0	117
294	R	37.7	Very low	39.5	Very low	237 Å²	237	137.9 Å²	137.9	89%	0.894	80%	0.795	S	S	*	*			trans	-132.6	-177.2	-174.8	-85.8	-177.7	171.8	-177	-1.6	110.2
295	P	66.8	Low	39.5	Very low	110 Å²	110	139.8 Å²	139.8	71%	0.714	80%	0.804	S	S	*	*			cis	-126.7	-157	-36.4	33.8	-12.2	0	0	0	111
296	P	54	Low	39.5	Very low	126 Å²	126	137.9 Å²	137.9	82%	0.818	80%	0.802	S	S	*	*				-149.4	-160.4	94.2	41	-21.5	0	0	0	116.7
297	Q	38.3	Very low	41.2	Very low	180 Å²	180	138.6 Å²	138.6	84%	0.841	80%	0.804	S	S	*	*			trans	-86.7	-172.7	-160.6	-56.7	170.4	-5.7	0	0	114
298	T	31	Very low	41	Very low	123 Å²	123	138.5 Å²	138.5	76%	0.755	80%	0.803	S	S	*	*			cis	-156.1	166.6	34.4	49	0	0	0	0	115.9
299	L	35.7	Very low	41.5	Very low	153 Å²	153	137.8 Å²	137.8	80%	0.801	80%	0.8	S	S	*	*			trans	-110.8	175.8	162	-80.3	170.5	0	0	0	110.3
300	P	49.1	Very low	42.4	Very low	125 Å²	125	135.8 Å²	135.8	81%	0.812	80%	0.795	S	S	*	*			trans	-130.9	166.2	137.1	37.4	-27.7	0	0	0	115.5
301	L	34.2	Very low	40.9	Very low	155 Å²	155	134.1 Å²	134.1	81%	0.812	80%	0.797	S	S	*	*			trans	-131.2	141.3	-178.3	-79.9	163	0	0	0	106.5
302	D	33.9	Very low	40.9	Very low	152 Å²	152	133.5 Å²	133.5	81%	0.813	79%	0.789	S	S	*	*				107.4	171.5	66.3	-165.8	18.2	0	0	0	111.1
303	A	30.6	Very low	40.3	Very low	97 Å²	97	136.8 Å²	136.8	80%	0.802	79%	0.791	S	S	*	*			trans	88.7	141	-176.7	0	0	0	0	0	117.5
304	G	29.6	Very low	39.4	Very low	72 Å²	72	135.8 Å²	135.8	74%	0.742	79%	0.787	S	S	*	*			cis	148.2	128.8	-13.3	0	0	0	0	0	115.1
305	Q	29.1	Very low	39.9	Very low	211 Å²	211	130.7 Å²	130.7	99%	0.986	78%	0.784	S	S	*	*			trans	-164.6	174.9	162.4	-114.4	176.5	28	0	0	112.8
306	G	28.5	Very low	38	Very low	70 Å²	70	128.7 Å²	128.7	72%	0.722	78%	0.784	S	S	*	*			trans	-117.7	-157.7	-150.2	0	0	0	0	0	120.7
307	P	62.7	Low	36.7	Very low	125 Å²	125	130.6 Å²	130.6	81%	0.812	79%	0.786	S	S	*	*			trans	-102.9	-171	-147.3	45.4	-42.3	0	0	0	114.3
308	P	55.8	Low	36.1	Very low	110 Å²	110	129.7 Å²	129.7	71%	0.714	79%	0.786	S	S	*	*			cis	-148.5	166.4	16.7	44.3	-23.7	0	0	0	122.1
309	E	38.8	Very low	36.1	Very low	173 Å²	173	128.6 Å²	128.6	81%	0.808	78%	0.784	S	S	*	*			trans	59.1	161.8	140.7	-70.8	-80.3	84.3	0	0	122.5
310	P	53.6	Low	36.1	Very low	108 Å²	108	127.5 Å²	127.5	70%	0.701	79%	0.785	S	S	*	*			cis	-136	169.4	-34.8	36.5	-20.2	0	0	0	115.2
311	G	27.9	Very low	35	Very low	69 Å²	69	127 Å²	127	71%	0.711	78%	0.781	S	S	*	*			trans	-176.3	151.5	171.3	0	0	0	0	0	116.3
312	N	30.7	Very low	34.5	Very low	124 Å²	124	129.3 Å²	129.3	66%	0.663	78%	0.784	S	S	*	*			trans	-146.7	162.8	-167.7	-79	-102.4	0	0	0	110.4
313	R	29.3	Very low	34.1	Very low	225 Å²	225	133.2 Å²	133.2	85%	0.849	79%	0.788	S	S	*	*			cis	-158.6	179	0.8	-133	170	-122.2	-164.1	0.2	112.1
314	S	30.6	Very low	34.8	Very low	107 Å²	107	134.4 Å²	134.4	75%	0.748	79%	0.787	S	S	*	*			trans	-87.6	-178	166.6	-35.2	0	0	0	0	112
315	P	46.8	Very low	34.6	Very low	129 Å²	129	134.8 Å²	134.8	84%	0.838	79%	0.791	S	S	*	*			cis	-140.6	-172.4	-3.1	44	-25.8	0	0	0	116.1
316	G	27.1	Very low	34.5	Very low	69 Å²	69	129.6 Å²	129.6	71%	0.711	78%	0.784	S	S	*	*			trans	102.7	120.8	131.8	0	0	0	0	0	124.2
317	L	27.8	Very low	35.7	Very low	166 Å²	166	132.2 Å²	132.2	87%	0.869	79%	0.789	S	S	*	*			trans	62.1	141.8	131.2	-77.7	170.1	0	0	0	126.5
318	L	25.4	Very low	34.1	Very low	160 Å²	160	132.4 Å²	132.4	84%	0.838	79%	0.793	S	S	*	*			trans	91.3	163.4	145.6	-74.2	165.9	0	0	0	123.8
319	S	30.2	Very low	32.7	Very low	101 Å²	101	130.5 Å²	130.5	71%	0.706	79%	0.793	S	S	*	*			trans	-94.7	173.9	-163.2	-38.3	0	0	0	0	115.2
320	P	36.5	Very low	32.2	Very low	129 Å²	129	130.9 Å²	130.9	84%	0.838	80%	0.795	S	S	*	*				-151.9	-141.5	110.3	41.5	-22.1	0	0	0	116.5
321	T	24.9	Very low	31	Very low	116 Å²	116	132.3 Å²	132.3	71%	0.712	80%	0.802	S	S	*	*				-157.3	128.5	-116.2	-62.3	0	0	0	0	115.5
322	F	24	Very low	31.1	Very low	202 Å²	202	134.8 Å²	134.8	89%	0.886	80%	0.803	S	S	*	*			trans	59	-177.6	167	-85.3	-69.6	0	0	0	117.9
323	R	26.1	Very low	31.2	Very low	234 Å²	234	134.5 Å²	134.5	88%	0.883	81%	0.807	S	S	*	*			cis	-143.9	175.4	7.4	-123.4	-162.2	-174.7	177.9	2.1	111.1
324	P	44.9	Very low	31.4	Very low	123 Å²	123	129.3 Å²	129.3	80%	0.799	80%	0.803	S	S	*	*			trans	-107.7	173.5	-168.7	41.6	-36.9	0	0	0	118
325	G	25.3	Very low	31.6	Very low	79 Å²	79	130.1 Å²	130.1	81%	0.814	81%	0.806	S	S	*	*			trans	-150.4	174.2	172.5	0	0	0	0	0	113.4
326	A	27.7	Very low	30.7	Very low	102 Å²	102	132 Å²	132	84%	0.843	81%	0.808	S	S	*	*			trans	-131.6	-145.3	-164.5	0	0	0	0	0	116.3
327	P	52.9	Low	31	Very low	126 Å²	126	134.2 Å²	134.2	82%	0.818	81%	0.81	S	S	*	*				-128.5	-165.2	-112.7	42.2	-23.5	0	0	0	117
328	S	29.1	Very low	31.1	Very low	129 Å²	129	135.7 Å²	135.7	90%	0.902	81%	0.809	S	S	*	*			trans	107.1	148.5	175.1	-156.9	0	0	0	0	114.2
329	G	27.4	Very low	31.4	Very low	69 Å²	69	134 Å²	134	71%	0.711	81%	0.807	S	S	*	*			cis	-151.8	-163.5	8	0	0	0	0	0	115.2
330	Q	28.8	Very low	31.5	Very low	182 Å²	182	135.3 Å²	135.3	85%	0.85	81%	0.814	S	S	*	*			trans	-109.9	167.2	-160.4	-52.1	172	10.1	0	0	115.6
331	T	26.7	Very low	31.1	Very low	138 Å²	138	140.6 Å²	140.6	85%	0.847	82%	0.817	S	S	*	*			trans	-167	151.8	136	-74.5	0	0	0	0	110.5
332	V	31.7	Very low	31.4	Very low	121 Å²	121	140.8 Å²	140.8	73%	0.733	82%	0.823	S	S	*	*			trans	-143.3	144.7	-172.8	177.3	0	0	0	0	111.7
333	P	32.7	Very low	32.2	Very low	117 Å²	117	137.1 Å²	137.1	76%	0.76	82%	0.82	S	S	*	*			trans	-142.4	-171.2	136.1	43.6	-28.8	0	0	0	112.6
334	P	32.8	Very low	32.3	Very low	117 Å²	117	131.6 Å²	131.6	76%	0.76	82%	0.817	S	S	*	*				-122.7	169.2	-86.8	36.4	-19.1	0	0	0	115.5
335	P	34.9	Very low	31.6	Very low	124 Å²	124	137.3 Å²	137.3	81%	0.805	82%	0.823	S	S	*	*			trans	-112.6	163.2	-173.5	40.9	-33.4	0	0	0	116.6
336	L	28.7	Very low	31.8	Very low	167 Å²	167	139.3 Å²	139.3	87%	0.874	82%	0.824	S	S	*	*			trans	-152.3	166.3	174.4	-101	174.6	0	0	0	110.5
337	P	31.9	Very low	32.5	Very low	117 Å²	117	140.2 Å²	140.2	76%	0.76	82%	0.821	S	S	*	*				-107.4	-171.8	-88.8	38.6	-24.6	0	0	0	114.6
338	K	31.6	Very low	31.2	Very low	197 Å²	197	140.1 Å²	140.1	86%	0.857	82%	0.824	S	S	*	*			trans	-123.1	146.9	178.3	-67.7	179.2	-179	173.2	0	113.2
339	P	31.1	Very low	31.2	Very low	123 Å²	123	145.1 Å²	145.1	80%	0.799	82%	0.823	S	S	*	*			trans	-82	167.2	165.6	34.3	-34	0	0	0	113.1
340	P	30.9	Very low	31.3	Very low	130 Å²	130	147.7 Å²	147.7	84%	0.844	83%	0.83	S	S	*	*			trans	-97.6	177.1	-159.2	38.2	-38.1	0	0	0	116.9
341	R	29.2	Very low	32.5	Very low	239 Å²	239	144.2 Å²	144.2	90%	0.902	82%	0.823	S	S	*	*			trans	-139.5	144.9	165.2	-80.7	-176.6	169.6	-169.9	-3.3	109.5
342	S	31.7	Very low	32.6	Very low	121 Å²	121	145.1 Å²	145.1	85%	0.846	82%	0.823	S	S	*	*			trans	168.6	168.6	149.8	-85.7	0	0	0	0	110.7
343	P	41	Very low	32.4	Very low	124 Å²	124	150.9 Å²	150.9	81%	0.805	83%	0.831	S	S	*	*			cis	-123.5	164.3	-7.7	35.5	-20.2	0	0	0	114.7
344	S	27.8	Very low	32.3	Very low	119 Å²	119	150.5 Å²	150.5	83%	0.832	83%	0.831	S	S	*	*			trans	-103.3	152.4	159.2	53.5	0	0	0	0	110.4
345	R	29.9	Very low	33.2	Very low	243 Å²	243	150.4 Å²	150.4	92%	0.917	83%	0.831	S	S	*	*			trans	-142.1	137.3	178.3	-140.3	179.1	-164.6	-130.9	4.3	112.7
346	S	28.5	Very low	32.6	Very low	120 Å²	120	150.8 Å²	150.8	84%	0.839	84%	0.835	S	S	*	*			trans	-155.2	128.8	174.3	-51.1	0	0	0	0	112.9
347	P	42.7	Very low	32.8	Very low	121 Å²	121	149.1 Å²	149.1	79%	0.786	83%	0.831	S	S	*	*			trans	-131	163.5	152	35.9	-22.3	0	0	0	111.5
348	S	26	Very low	34.1	Very low	124 Å²	124	148.8 Å²	148.8	87%	0.867	83%	0.829	S	S	*	*			cis	-154.1	-159.7	-15.4	65.6	0	0	0	0	108.3
349	R	29.4	Very low	34.8	Very low	235 Å²	235	145.3 Å²	145.3	89%	0.887	83%	0.827	S	S	*	*			trans	-157.4	130.8	178.7	-167	-172.4	-164.5	-147.7	6.9	111.9
350	S	29.3	Very low	34.8	Very low	123 Å²	123	143.8 Å²	143.8	86%	0.86	82%	0.824	S	S	*	*			trans	-178.3	164.1	154.7	-85.4	0	0	0	0	113.9
351	P	54.1	Low	35.9	Very low	109 Å²	109	143.5 Å²	143.5	71%	0.708	82%	0.822	S	S	*	*			trans	-134	-166.9	-157.8	44	-26.5	0	0	0	117.7
352	N	28	Very low	36	Very low	156 Å²	156	139.5 Å²	139.5	83%	0.834	82%	0.819	S	S	*	*			trans	93.5	147.6	177.1	-56.4	-33.5	0	0	0	115
353	R	28.3	Very low	36	Very low	243 Å²	243	143 Å²	143	92%	0.917	82%	0.824	S	S	*	*			cis	-151.6	158.1	19.8	-152.3	-178.3	-162.2	-175.6	4.4	112.4
354	S	29.5	Very low	35.4	Very low	109 Å²	109	141.9 Å²	141.9	76%	0.762	83%	0.826	S	S	*	*			trans	-100.4	-168.2	177.5	-32.8	0	0	0	0	111.8
355	P	51.8	Low	35.6	Very low	115 Å²	115	144.2 Å²	144.2	75%	0.747	83%	0.828	S	S	*	*			cis	-141.8	178.7	1.6	44.1	-26.1	0	0	0	117.9
356	C	23.6	Very low	36.8	Very low	131 Å²	131	137.7 Å²	137.7	89%	0.885	82%	0.817	S	S	*	*			trans	-163.8	166.7	136.9	-122.1	0	0	0	0	111.2
357	V	32.8	Very low	36.7	Very low	133 Å²	133	142.9 Å²	142.9	81%	0.806	82%	0.818	S	S	*	*			trans	-140.1	-169.2	-162.2	-132.6	0	0	0	0	113.8
358	P	59	Low	36	Very low	110 Å²	110	144.6 Å²	144.6	71%	0.714	82%	0.82	S	S	*	*			trans	-114.6	-161.9	-135.2	43	-22.1	0	0	0	114
359	P	46.8	Very low	36.1	Very low	124 Å²	124	141.3 Å²	141.3	81%	0.805	81%	0.805	S	S	*	*				-152.7	-172.2	82.2	42.1	-21.8	0	0	0	116.9
360	A	31.1	Very low	36.2	Very low	90 Å²	90	136.5 Å²	136.5	74%	0.744	80%	0.803	S	S	*	*			trans	-119	-166.7	165.5	0	0	0	0	0	108.3
361	P	53.2	Low	36.3	Very low	124 Å²	124	138.9 Å²	138.9	81%	0.805	80%	0.8	S	S	*	*			cis	-140.9	-142.1	10.6	44.9	-22	0	0	0	114.8
362	D	31.7	Very low	35.2	Very low	156 Å²	156	138.6 Å²	138.6	83%	0.834	80%	0.801	S	S	*	*			trans	-80.2	162.8	-165.4	-69.2	-76.3	0	0	0	120.2
363	M	32.2	Very low	35.3	Very low	194 Å²	194	137.5 Å²	137.5	96%	0.956	80%	0.8	S	S	*	*			trans	87.8	147.2	142.8	-125.6	-171.6	-175.6	0	0	122.5
364	A	26.9	Very low	35.5	Very low	101 Å²	101	129 Å²	129	84%	0.835	79%	0.787	S	S	*	*			trans	108.7	149	161.5	0	0	0	0	0	119.8
365	L	33.1	Very low	36.4	Very low	167 Å²	167	130.3 Å²	130.3	87%	0.874	79%	0.794	S	S	*	*			trans	-98.8	-164.6	-179.6	-63.4	166.1	0	0	0	109.7
366	P	54	Low	35.2	Very low	106 Å²	106	128.3 Å²	128.3	69%	0.688	79%	0.794	S	S	*	*			cis	-146.9	-161.3	4.4	34.7	-7.8	0	0	0	117.3
367	R	27.8	Very low	35.4	Very low	229 Å²	229	133.5 Å²	133.5	86%	0.864	80%	0.795	S	S	*	*			trans	89.1	149.5	164.1	-54.2	176.3	177	174.3	-1.4	115.9
368	L	27	Very low	35.1	Very low	157 Å²	157	132 Å²	132	82%	0.822	79%	0.79	S	S	*	*			cis	-152.6	162.6	5.9	-164.7	65.5	0	0	0	108.9
369	G	28	Very low	33.5	Very low	55 Å²	55	135 Å²	135	57%	0.567	80%	0.798	S	S	*	*			cis	141.7	146.3	-12.8	0	0	0	0	0	114.6
370	T	32.9	Very low	33	Very low	135 Å²	135	134.5 Å²	134.5	83%	0.828	80%	0.798	S	S	*	*			trans	69.9	149.4	171.1	19	0	0	0	0	118.2
371	Q	31.3	Very low	33.5	Very low	172 Å²	172	136.7 Å²	136.7	80%	0.804	81%	0.805	S	S	*	*			cis	-140.6	161.2	11.1	-56.3	-179.4	5.8	0	0	114.3
372	S	30	Very low	32.3	Very low	103 Å²	103	137.5 Å²	137.5	72%	0.72	80%	0.802	S	S	*	*			trans	54.9	145.8	146.4	-125.8	0	0	0	0	121.2
373	T	30.3	Very low	32.1	Very low	133 Å²	133	136.4 Å²	136.4	82%	0.816	80%	0.796	S	S	*	*			cis	-151.9	146	-5.8	-18.7	0	0	0	0	106.4
374	G	31.6	Very low	32	Very low	64 Å²	64	135.7 Å²	135.7	66%	0.66	79%	0.79	S	S	*	*				128.4	149.3	81.4	0	0	0	0	0	109.5
375	P	48.4	Very low	31.9	Very low	137 Å²	137	135.6 Å²	135.6	89%	0.89	79%	0.79	S	S	*	*			trans	-132.7	163.6	-138.6	40.1	-25.3	0	0	0	118
376	G	27.1	Very low	31.5	Very low	74 Å²	74	135.5 Å²	135.5	76%	0.763	79%	0.785	S	S	*	*			trans	144.6	124.3	130.9	0	0	0	0	0	121
377	R	28.8	Very low	30.1	Very low	240 Å²	240	138.4 Å²	138.4	91%	0.906	79%	0.789	S	S	*	*			trans	72.2	113.2	140	-81	-170.2	163.1	-174.4	-4.5	123.3
378	C	26	Very low	30.2	Very low	102 Å²	102	131.2 Å²	131.2	69%	0.689	78%	0.778	S	S	*	*				80.2	126	116.4	-72.4	0	0	0	0	123.8
379	L	26.3	Very low	30.7	Very low	171 Å²	171	130 Å²	130	90%	0.895	78%	0.78	S	S	*	*			trans	77.1	139.5	141.8	-62.4	168.7	0	0	0	119.8
380	S	36.3	Very low	30.9	Very low	114 Å²	114	133.4 Å²	133.4	80%	0.797	79%	0.79	S	S	*	*			trans	-80.4	164.1	177	-36.7	0	0	0	0	112.4
381	P	40.8	Very low	31.3	Very low	137 Å²	137	132.3 Å²	132.3	89%	0.89	79%	0.785	S	S	*	*				-141.2	-148	99.7	40.5	-26.2	0	0	0	114.1
382	N	27.2	Very low	31	Very low	141 Å²	141	129.8 Å²	129.8	75%	0.754	78%	0.781	S	S	*	*			trans	-128.8	176.4	-159.7	-175.6	22.2	0	0	0	111.5
383	L	29.1	Very low	31	Very low	132 Å²	132	131.6 Å²	131.6	69%	0.691	79%	0.788	S	S	*	*			trans	73.2	151.8	171.1	-55.3	174.2	0	0	0	115
384	Q	28.2	Very low	30.7	Very low	179 Å²	179	131.7 Å²	131.7	84%	0.836	79%	0.788	S	S	*	*			cis	165.1	129.3	-25.8	-115.6	-171.9	-8.2	0	0	104.5
385	A	25	Very low	30.6	Very low	100 Å²	100	134 Å²	134	83%	0.826	79%	0.794	S	S	*	*			trans	-163.6	158	155.9	0	0	0	0	0	112
386	Q	25.9	Very low	29.5	Very low	165 Å²	165	133.3 Å²	133.3	77%	0.771	79%	0.793	S	S	*	*			trans	-42.4	170.8	177.5	-74.5	148.3	-96.2	0	0	117.7
387	E	24.9	Very low	29.6	Very low	166 Å²	166	135.1 Å²	135.1	78%	0.776	79%	0.794	S	S	*	*			cis	-151.4	174.7	17.7	-148	135.4	-132.7	0	0	113.6
388	A	28.3	Very low	29.5	Very low	78 Å²	78	130.5 Å²	130.5	65%	0.645	79%	0.793	S	S	*	*			trans	-122.7	169.5	177.1	0	0	0	0	0	111.7
389	P	39.5	Very low	29.6	Very low	132 Å²	132	131.3 Å²	131.3	86%	0.857	80%	0.799	S	S	*	*				-143.8	175.8	95.3	37	-20.8	0	0	0	116.2
390	V	31.3	Very low	29.6	Very low	127 Å²	127	127.8 Å²	127.8	77%	0.77	80%	0.795	S	S	*	*			trans	-110.8	-178.1	-178.6	-141.2	0	0	0	0	107.8
391	P	41.6	Very low	29.3	Very low	112 Å²	112	130.5 Å²	130.5	73%	0.727	80%	0.8	S	S	*	*				-160.1	177	54.9	46.9	-23.8	0	0	0	120.5
392	V	25.6	Very low	28.6	Very low	119 Å²	119	129.4 Å²	129.4	72%	0.721	80%	0.795	S	S	*	*			trans	69.4	115.7	158.3	-165.7	0	0	0	0	120.9	T394	V392-T394 HydrophobicContact CG1-CG2 3.99Å
393	T	28.6	Very low	28.8	Very low	140 Å²	140	127.9 Å²	127.9	86%	0.859	80%	0.796	S	S	*	*			trans	-99.6	150.5	148.1	35.6	0	0	0	0	110.9
394	T	25.6	Very low	28.8	Very low	136 Å²	136	126.1 Å²	126.1	83%	0.834	79%	0.794	S	S	*	*			trans	-132.6	142	164.9	47.4	0	0	0	0	111.4	V392	V392-T394 HydrophobicContact CG1-CG2 3.99Å
395	S	27.6	Very low	29.3	Very low	111 Å²	111	123.2 Å²	123.2	78%	0.776	79%	0.791	S	S	*	*			trans	-82.4	153.7	-163.8	53.6	0	0	0	0	116.8
396	S	26.4	Very low	29.7	Very low	123 Å²	123	128.2 Å²	128.2	86%	0.86	79%	0.788	S	S	*	*			trans	-147.4	148.8	135	60.8	0	0	0	0	110.3
397	S	29.4	Very low	30.1	Very low	113 Å²	113	124.6 Å²	124.6	79%	0.79	78%	0.781	S	S	*	*			trans	-118.6	126.6	-161.1	-48.5	0	0	0	0	113.1
398	T	27	Very low	30.6	Very low	143 Å²	143	121.5 Å²	121.5	88%	0.877	78%	0.784	S	S	*	*			trans	-143.8	100.5	161.1	30.2	0	0	0	0	110	A400	T398-A400 PolarHBondContact O-N 3.47Å; T398-A400 VanDerWaalsContact O-N 3.15Å
399	S	26.4	Very low	30.7	Very low	119 Å²	119	124.2 Å²	124.2	83%	0.832	78%	0.784	S	S	*	*			trans	-80.3	87.8	176.6	52.9	0	0	0	0	110.6	L401	S399-L401 PolarHBondContact O-N 2.87Å; S399-L401 VanDerWaalsContact O-N 3.16Å
400	A	27.3	Very low	30.6	Very low	97 Å²	97	123.9 Å²	123.9	80%	0.802	78%	0.781	S	S	*	*			trans	-66.3	110.5	170.9	0	0	0	0	0	110	T398 S402	T398-A400 PolarHBondContact O-N 3.47Å; T398-A400 VanDerWaalsContact O-N 3.15Å; A400-S402 PolarHBondContact O-N 3.29Å
401	L	30	Very low	30.6	Very low	171 Å²	171	122.4 Å²	122.4	90%	0.895	77%	0.773	S	S	*	*			trans	-69.5	100	167.9	-86.4	161.2	0	0	0	108.4	S399 S403	S399-L401 PolarHBondContact O-N 2.87Å; S399-L401 VanDerWaalsContact O-N 3.16Å; L401-S403 PolarHBondContact O-N 3.46Å
402	S	26.4	Very low	30.2	Very low	113 Å²	113	123.5 Å²	123.5	79%	0.79	78%	0.782	S	S	*	*			trans	-67.5	104.1	178	-173.2	0	0	0	0	110.3	A400 S404	A400-S402 PolarHBondContact O-N 3.29Å; S402-S404 VanDerWaalsContact C-N 3.32Å; S402-S404 PolarHBondContact O-N 2.9Å
403	S	31.5	Very low	30.9	Very low	110 Å²	110	128.1 Å²	128.1	77%	0.769	79%	0.786	S	S	*	*			trans	-70.9	83.7	173.2	40.6	0	0	0	0	110.2	L401 P405	L401-S403 PolarHBondContact O-N 3.46Å; S403-P405 VanDerWaalsContact O-CD 3.25Å; S403-P405 WeakPolarHBondContact O-CD 3.24Å
404	S	29	Very low	31.9	Very low	95 Å²	95	126.6 Å²	126.6	66%	0.664	78%	0.781	S	S	*	*			trans	-61.5	118.8	174.2	59.2	0	0	0	0	110.5	S402	S402-S404 VanDerWaalsContact C-N 3.32Å; S402-S404 PolarHBondContact O-N 2.9Å
405	P	37.5	Very low	33.7	Very low	117 Å²	117	123 Å²	123	76%	0.76	76%	0.757	S	S	*	*			trans	-60.5	152.6	174.8	-21.9	33.9	0	0	0	110.9	S403 S407	S403-P405 VanDerWaalsContact O-CD 3.25Å; S403-P405 WeakPolarHBondContact O-CD 3.24Å; P405-S407 PolarHBondContact O-N 3.07Å
406	W	34.8	Very low	35.8	Very low	205 Å²	205	122.3 Å²	122.3	78%	0.777	75%	0.75	S	S	*	*			trans	-69.5	77.8	174.3	-74.5	-14.8	0	0	0	112	A408 E830	W406-A408 PolarHBondContact O-N 3.07Å; W406-E830 WeakPolarHBondContact CZ3-OE1 3.22Å
407	S	33.8	Very low	38.7	Very low	89 Å²	89	116.8 Å²	116.8	62%	0.622	71%	0.712	S	S	*	*			trans	-63.9	120	163.2	-169.8	0	0	0	0	108.9	P405 Q409	P405-S407 PolarHBondContact O-N 3.07Å; S407-Q409 PolarHBondContact O-N 3.19Å
408	A	36.3	Very low	41.8	Very low	102 Å²	102	111.5 Å²	111.5	84%	0.843	68%	0.675	S	S	*	*			trans	-73	63.1	176	0	0	0	0	0	111.5	W406	W406-A408 PolarHBondContact O-N 3.07Å
409	Q	28.3	Very low	45.1	Very low	135 Å²	135	108.6 Å²	108.6	63%	0.631	65%	0.648	S	S	*	*			trans	-90.2	121.2	172.4	-78.9	-72	-29.4	0	0	109.2	S407 T411	S407-Q409 PolarHBondContact O-N 3.19Å; Q409-T411 HydrophobicContact CB-CG2 4.41Å; Q409-T411 PolarHBondContact O-N 3.22Å
410	P	37.6	Very low	48.5	Very low	124 Å²	124	103 Å²	103	81%	0.805	61%	0.609	S	S	*	*			trans	-76	59.5	178.8	33.2	-36.3	0	0	0	111.4
411	T	31.8	Very low	51.9	Low	96 Å²	96	98.5 Å²	98.5	59%	0.589	57%	0.571	S	S	*	*			trans	-69.6	129.7	165.8	60.8	0	0	0	0	108.4	Q409 R413	Q409-T411 HydrophobicContact CB-CG2 4.41Å; Q409-T411 PolarHBondContact O-N 3.22Å; T411-R413 PolarHBondContact O-N 3.38Å
412	C	33.7	Very low	55.1	Low	136 Å²	136	90.3 Å²	90.3	92%	0.919	53%	0.528	S	S	*	.			trans	-76.6	65.9	-178.1	-163.8	0	0	0	0	111.3
413	R	39.2	Very low	58.6	Low	216 Å²	216	85 Å²	85	82%	0.815	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-67.3	138.1	149.9	-65.7	-176.8	177.1	-173.6	-1.3	106.7	T411 D415	T411-R413 PolarHBondContact O-N 3.38Å; R413-D415 PolarHBondContact O-N 3.06Å
414	S	49.6	Very low	61.8	Low	108 Å²	108	79.7 Å²	79.7	76%	0.755	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-55	120.9	171.9	51.8	0	0	0	0	109.6	P416	S414-P416 WeakPolarHBondContact O-CD 3.31Å
415	D	63.9	Low	65.1	Low	61 Å²	61	75.2 Å²	75.2	33%	0.326	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-51.6	116.1	176.5	-179.8	6.4	0	0	0	108.1	R413 G417 R730	R413-D415 PolarHBondContact O-N 3.06Å; D415-G417 PolarHBondContact O-N 3.12Å; D415-G417 PolarHBondContact OD1-N 2.88Å; D415-R730 IonicContact OD1-NH1 3.86Å; D415-R730 PolarHBondContact OD1-NH1 3.47Å; D415-R730 WeakPolarHBondContact OD2-CD 3.41Å; D415-R730 IonicContact OD2-NH1 2.85Å
416	P	72.5	Confident	68	Low	96 Å²	96	69.8 Å²	69.8	62%	0.623	39%	0.387	S	S	*	.			trans	-65.5	-8.6	-179	28.5	-35.8	0	0	0	112	S414 L724	S414-P416 WeakPolarHBondContact O-CD 3.31Å; P416-L724 WeakPolarHBondContact O-CD1 3.15Å
417	G	87.7	Confident	71	Confident	7 Å²	7	60 Å²	60	7%	0.072	35%	0.35	C	S	.	.			trans	76.7	175.5	-176.3	0	0	0	0	0	111.8	D415 L725	D415-G417 PolarHBondContact O-N 3.12Å; D415-G417 PolarHBondContact OD1-N 2.88Å; G417-L725 CarbonylContact C-O 3.56Å; G417-L725 VanDerWaalsContact CA-O 3.24Å; G417-L725 WeakPolarHBondContact CA-O 3.21Å
418	F	94.2	Very high	74	Confident	1 Å²	1	57 Å²	57	0%	0.004	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.3	-179.5	-175.4	-100.4	0	0	0	109.9	I420 D452 M453 H512 F545 L725 F727	F418-I420 HydrophobicContact CD1-CD1 4.02Å; F418-I420 HydrophobicContact CD1-CG1 3.72Å; F418-I420 HydrophobicContact CE1-CD1 3.96Å; F418-I420 HydrophobicContact CE1-CG1 3.75Å; F418-D452 HydrophobicContact CD2-CB 3.64Å; F418-D452 HydrophobicContact CE2-CB 3.45Å; F418-D452 VanDerWaalsContact CE2-CB 3.45Å; F418-D452 HydrophobicContact CG-CB 4.28Å; F418-D452 HydrophobicContact CZ-CB 3.94Å; F418-M453 HydrophobicContact CE1-CB 3.74Å; F418-M453 HydrophobicContact CE1-CE 4.34Å; F418-M453 HydrophobicContact CE1-SD 4.13Å; F418-M453 HydrophobicContact CZ-CB 3.7Å; F418-M453 HydrophobicContact CZ-CE 4.13Å; F418-M453 HydrophobicContact CZ-SD 4.44Å; F418-H512 HydrophobicContact CE2-CB 4.5Å; F418-H512 AromaticContact CE2-CD2 3.76Å; F418-H512 AromaticContact CE2-CE1 3.99Å; F418-H512 AromaticContact CE2-CG 3.9Å; F418-H512 AromaticContact CE2-NE2 3.82Å; F418-F545 AromaticContact CD2-CE2 3.67Å; F418-F545 HydrophobicContact CD2-CE2 3.67Å; F418-F545 HydrophobicContact CD2-CZ 4.24Å; F418-F545 AromaticContact CE2-CE2 3.57Å; F418-F545 HydrophobicContact CE2-CE2 3.57Å; F418-F545 HydrophobicContact CE2-CZ 4.12Å; F418-F545 HydrophobicContact CG-CE2 4.33Å; F418-F545 HydrophobicContact CZ-CE2 4.17Å; F418-L725 HydrophobicContact CB-CB 4.3Å; F418-L725 HydrophobicContact CD1-CD2 4.48Å; F418-L725 PolarHBondContact N-O 3.23Å; F418-L725 PolarHBondContact O-N 2.66Å; F418-F727 HydrophobicContact CB-CD2 4.4Å; F418-F727 HydrophobicContact CB-CE2 3.44Å; F418-F727 VanDerWaalsContact CB-CE2 3.44Å; F418-F727 HydrophobicContact CB-CZ 3.83Å; F418-F727 HydrophobicContact CD1-CE2 4.38Å; F418-F727 AromaticContact CD1-CZ 3.95Å; F418-F727 HydrophobicContact CD1-CZ 3.95Å; F418-F727 HydrophobicContact CD2-CE2 4.48Å; F418-F727 AromaticContact CG-CE2 3.89Å; F418-F727 HydrophobicContact CG-CE2 3.89Å; F418-F727 AromaticContact CG-CZ 3.94Å; F418-F727 HydrophobicContact CG-CZ 3.94Å
419	R	95.6	Very high	76.7	Confident	83 Å²	83	56 Å²	56	31%	0.313	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	113.7	-168.6	-68.8	173.8	-178.8	-132.9	4.5	111.3	S448 G449 G450 D452 M453 F723 L724	R419-S448 PolarHBondContact NH2-O 2.76Å; R419-G449 PolarHBondContact NH1-O 2.89Å; R419-G450 WeakPolarHBondContact CD-O 3.24Å; R419-D452 PolarHBondContact N-OD2 2.84Å; R419-D452 PolarHBondContact O-N 2.92Å; R419-M453 PolarHBondContact O-N 3.42Å; R419-M453 VanDerWaalsContact O-N 3.12Å; R419-F723 CarbonylContact C-O 3.57Å; R419-F723 WeakPolarHBondContact CA-O 3.26Å; R419-L724 HydrophobicContact CG-CD1 3.67Å
420	I	97.5	Very high	79.8	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.9	178.4	-54.6	-173	0	0	0	109.6	F418 V422 M453 L549 F551 F594 F723 L725	F418-I420 HydrophobicContact CD1-CD1 4.02Å; F418-I420 HydrophobicContact CD1-CG1 3.72Å; F418-I420 HydrophobicContact CE1-CD1 3.96Å; F418-I420 HydrophobicContact CE1-CG1 3.75Å; I420-V422 HydrophobicContact CG2-CG2 4.01Å; I420-M453 WeakPolarHBondContact CA-O 3.34Å; I420-M453 HydrophobicContact CD1-SD 4.3Å; I420-M453 HydrophobicContact CG1-CB 4.31Å; I420-L549 HydrophobicContact CD1-CD1 4.11Å; I420-F551 HydrophobicContact CD1-CZ 4.26Å; I420-F551 HydrophobicContact CG2-CE1 3.97Å; I420-F551 HydrophobicContact CG2-CZ 4.24Å; I420-F594 HydrophobicContact CD1-CE2 4.08Å; I420-F594 HydrophobicContact CD1-CZ 4.46Å; I420-F594 HydrophobicContact CG2-CE2 4.3Å; I420-F594 HydrophobicContact CG2-CZ 4.39Å; I420-F723 PolarHBondContact N-O 2.61Å; I420-F723 PolarHBondContact O-N 3.2Å; I420-L725 HydrophobicContact CD1-CD1 3.76Å; I420-L725 HydrophobicContact CD1-CD2 3.58Å; I420-L725 HydrophobicContact CD1-CG 4.31Å; I420-L725 HydrophobicContact CG1-CD1 4Å; I420-L725 HydrophobicContact CG1-CD2 4.43Å
421	T	98.1	Very high	82.5	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129.2	165.1	-54.5	0	0	0	0	109.1	V423 A451 M453 I454 A455 A721 Q722	T421-V423 HydrophobicContact CG2-CG2 4.15Å; T421-A451 WeakPolarHBondContact OG1-CB 3.49Å; T421-M453 PolarHBondContact N-O 2.85Å; T421-I454 CarbonylContact O-C 3.48Å; T421-I454 VanDerWaalsContact O-CA 3.31Å; T421-I454 WeakPolarHBondContact O-CA 3.02Å; T421-A455 PolarHBondContact O-N 2.96Å; T421-A721 CarbonylContact C-O 3.57Å; T421-A721 WeakPolarHBondContact CA-O 3.35Å; T421-Q722 HydrophobicContact CG2-CG 4.27Å
422	V	98.8	Very high	85.4	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.6	172.5	-175.9	0	0	0	0	108	I420 A455 F551 F594 F596 I677 A720 A721 F723	I420-V422 HydrophobicContact CG2-CG2 4.01Å; V422-A455 CarbonylContact C-O 3.53Å; V422-A455 WeakPolarHBondContact CA-O 3.41Å; V422-A455 HydrophobicContact CG2-CB 4.46Å; V422-F551 HydrophobicContact CG2-CE1 4.46Å; V422-F594 HydrophobicContact CG2-CD1 3.94Å; V422-F594 HydrophobicContact CG2-CE1 4.06Å; V422-F594 HydrophobicContact CG2-CG 4.17Å; V422-F594 HydrophobicContact CG2-CZ 4.37Å; V422-F596 HydrophobicContact CG1-CB 4.39Å; V422-F596 HydrophobicContact CG1-CD1 3.85Å; V422-F596 HydrophobicContact CG1-CD2 3.78Å; V422-F596 HydrophobicContact CG1-CE1 3.95Å; V422-F596 HydrophobicContact CG1-CE2 3.85Å; V422-F596 HydrophobicContact CG1-CG 3.78Å; V422-F596 HydrophobicContact CG1-CZ 3.93Å; V422-I677 HydrophobicContact CB-CD1 4.3Å; V422-I677 HydrophobicContact CB-CG2 4.09Å; V422-I677 HydrophobicContact CG1-CD1 4.18Å; V422-I677 HydrophobicContact CG1-CG1 4.39Å; V422-I677 HydrophobicContact CG1-CG2 3.88Å; V422-I677 VanDerWaalsContact O-CD1 3.26Å; V422-I677 WeakPolarHBondContact O-CD1 3.48Å; V422-A720 CarbonylContact O-C 3.56Å; V422-A720 WeakPolarHBondContact O-CA 3.48Å; V422-A721 PolarHBondContact N-O 2.94Å; V422-A721 PolarHBondContact O-N 3.24Å; V422-F723 HydrophobicContact CB-CE2 4.15Å; V422-F723 HydrophobicContact CG2-CD2 4.04Å; V422-F723 HydrophobicContact CG2-CE2 3.87Å
423	V	98.8	Very high	88.3	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.2	178.8	178.7	0	0	0	0	109	T421 L439 L440 A455 I456 G457 V719 A720	T421-V423 HydrophobicContact CG2-CG2 4.15Å; V423-L439 HydrophobicContact CG1-CD1 4.12Å; V423-L439 HydrophobicContact CG1-CD2 4Å; V423-L439 HydrophobicContact CG1-CG 4.17Å; V423-L440 HydrophobicContact CG2-CD2 4.22Å; V423-A455 PolarHBondContact N-O 2.96Å; V423-I456 HydrophobicContact CB-CG2 4.35Å; V423-I456 HydrophobicContact CG1-CG2 4.38Å; V423-G457 PolarHBondContact O-N 2.98Å; V423-V719 CarbonylContact C-O 3.59Å; V423-V719 WeakPolarHBondContact CA-O 3.08Å; V423-A720 HydrophobicContact CG2-CB 4.22Å
424	T	98.9	Very high	90.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	137.3	164.1	-179	0	0	0	0	111.5	G457 Q459 G597 D675 I677 P718 V719	T424-G457 CarbonylContact C-O 3.39Å; T424-G457 VanDerWaalsContact CA-O 3.25Å; T424-G457 WeakPolarHBondContact CA-O 3.15Å; T424-Q459 PolarHBondContact OG1-NE2 2.89Å; T424-Q459 PolarHBondContact OG1-OE1 2.87Å; T424-G597 WeakPolarHBondContact OG1-CA 3.4Å; T424-D675 HydrophobicContact CG2-CB 4.18Å; T424-I677 HydrophobicContact CG2-CD1 4.38Å; T424-I677 HydrophobicContact CG2-CG1 3.94Å; T424-P718 WeakPolarHBondContact O-CA 3.2Å; T424-V719 HydrophobicContact CG2-CB 3.9Å; T424-V719 PolarHBondContact N-O 2.91Å; T424-V719 PolarHBondContact O-N 3.4Å
425	W	98.8	Very high	92.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	116.9	173.8	-164.8	5.3	0	0	0	112.5	V427 P433 L439 G457 L458 Q459 W478 Y711 V713 H716 P718	W425-V427 HydrophobicContact CB-CG1 4.34Å; W425-V427 HydrophobicContact CD2-CG1 4Å; W425-V427 HydrophobicContact CE3-CG1 4.37Å; W425-V427 HydrophobicContact CG-CG1 4Å; W425-V427 PolarHBondContact O-N 3.47Å; W425-P433 HydrophobicContact CH2-CG 4.25Å; W425-P433 HydrophobicContact CZ3-CG 4.43Å; W425-L439 HydrophobicContact CE3-CD2 4.21Å; W425-L439 HydrophobicContact CZ3-CD2 4.37Å; W425-G457 PolarHBondContact N-O 3.1Å; W425-L458 HydrophobicContact CB-CD2 4.14Å; W425-L458 WeakPolarHBondContact O-CA 3.29Å; W425-Q459 PolarHBondContact O-N 2.82Å; W425-Q459 PolarHBondContact O-OE1 2.7Å; W425-W478 HydrophobicContact CD2-CH2 4.41Å; W425-W478 AromaticContact CE3-CH2 3.83Å; W425-W478 HydrophobicContact CE3-CH2 3.83Å; W425-W478 AromaticContact CE3-CZ3 3.71Å; W425-W478 HydrophobicContact CE3-CZ3 3.71Å; W425-W478 AromaticContact CH2-CH2 3.76Å; W425-W478 HydrophobicContact CH2-CH2 3.76Å; W425-W478 HydrophobicContact CH2-CZ3 4.2Å; W425-W478 HydrophobicContact CZ2-CH2 4.34Å; W425-W478 AromaticContact CZ3-CH2 3.49Å; W425-W478 HydrophobicContact CZ3-CH2 3.49Å; W425-W478 VanDerWaalsContact CZ3-CH2 3.49Å; W425-W478 AromaticContact CZ3-CZ3 3.47Å; W425-W478 HydrophobicContact CZ3-CZ3 3.47Å; W425-W478 VanDerWaalsContact CZ3-CZ3 3.47Å; W425-Y711 AromaticContact CH2-CD1 3.98Å; W425-Y711 HydrophobicContact CH2-CD1 3.98Å; W425-Y711 AromaticContact CH2-CG 3.93Å; W425-Y711 HydrophobicContact CH2-CG 3.93Å; W425-Y711 HydrophobicContact CZ2-CG 4.47Å; W425-Y711 HydrophobicContact CZ3-CD1 4.45Å; W425-Y711 HydrophobicContact CZ3-CG 4.44Å; W425-V713 HydrophobicContact CH2-CG2 3.63Å; W425-V713 HydrophobicContact CZ2-CG2 3.5Å; W425-V713 VanDerWaalsContact CZ2-CG2 3.5Å; W425-H716 PolarHBondContact NE1-O 2.74Å; W425-P718 HydrophobicContact CB-CB 3.91Å; W425-P718 HydrophobicContact CD2-CB 3.63Å; W425-P718 HydrophobicContact CD2-CG 3.69Å; W425-P718 HydrophobicContact CE3-CB 3.95Å; W425-P718 HydrophobicContact CE3-CG 3.94Å; W425-P718 HydrophobicContact CG-CB 3.6Å; W425-P718 HydrophobicContact CG-CG 4.12Å; W425-P718 HydrophobicContact CH2-CG 4.24Å; W425-P718 HydrophobicContact CZ2-CG 4Å; W425-P718 HydrophobicContact CZ3-CG 4.2Å
426	N	98.7	Very high	94.3	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	111.8	161.6	-177.5	-19.1	0	0	0	108.2	G428 Q459 E460 H555 D598 S714 H716	N426-G428 VanDerWaalsContact C-N 3.32Å; N426-G428 PolarHBondContact O-N 3.35Å; N426-G428 PolarHBondContact OD1-N 3.16Å; N426-Q459 CarbonylContact C-O 3.57Å; N426-Q459 WeakPolarHBondContact CA-O 3.5Å; N426-Q459 HydrophobicContact CB-CB 4.1Å; N426-Q459 PolarHBondContact OD1-O 2.79Å; N426-E460 WeakPolarHBondContact OD1-CB 3.42Å; N426-E460 WeakPolarHBondContact OD1-CG 3.16Å; N426-H555 PolarHBondContact ND2-CE1 3.08Å; N426-D598 HydrophobicContact CB-CB 4.23Å; N426-D598 PolarHBondContact ND2-OD2 2.95Å; N426-S714 WeakPolarHBondContact O-CB 3.4Å; N426-S714 PolarHBondContact O-OG 3.18Å; N426-H716 HydrophobicContact CB-CB 4.01Å; N426-H716 PolarHBondContact ND2-NE2 2.81Å; N426-H716 WeakPolarHBondContact O-CB 3.31Å
427	V	97.9	Very high	95.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.178	C	C	.	.			trans	-87.7	1	-173.5	-53.3	0	0	0	0	113	W425 T429 A430 L458 Q459 V461 W478	W425-V427 HydrophobicContact CB-CG1 4.34Å; W425-V427 HydrophobicContact CD2-CG1 4Å; W425-V427 HydrophobicContact CE3-CG1 4.37Å; W425-V427 HydrophobicContact CG-CG1 4Å; W425-V427 PolarHBondContact O-N 3.47Å; V427-T429 PolarHBondContact O-N 3.27Å; V427-T429 VanDerWaalsContact O-N 3.13Å; V427-A430 WeakPolarHBondContact O-CB 3.33Å; V427-A430 PolarHBondContact O-N 2.91Å; V427-L458 HydrophobicContact CG1-CD2 4.21Å; V427-Q459 PolarHBondContact N-O 3.06Å; V427-V461 HydrophobicContact CG2-CB 4.25Å; V427-V461 HydrophobicContact CG2-CG2 3.84Å; V427-W478 HydrophobicContact CB-CH2 4.08Å; V427-W478 HydrophobicContact CB-CZ2 3.52Å; V427-W478 HydrophobicContact CG1-CD2 4.25Å; V427-W478 HydrophobicContact CG1-CE3 4.36Å; V427-W478 HydrophobicContact CG1-CH2 3.56Å; V427-W478 HydrophobicContact CG1-CZ2 3.45Å; V427-W478 VanDerWaalsContact CG1-CZ2 3.45Å; V427-W478 HydrophobicContact CG1-CZ3 4.05Å; V427-W478 HydrophobicContact CG2-CZ2 4.09Å
428	G	95.4	Very high	95.2	Very high	25 Å²	25	34.1 Å²	34.1	26%	0.258	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	29.4	173.3	0	0	0	0	0	114.7	N426 A430	N426-G428 VanDerWaalsContact C-N 3.32Å; N426-G428 PolarHBondContact O-N 3.35Å; N426-G428 PolarHBondContact OD1-N 3.16Å; G428-A430 PolarHBondContact O-N 2.91Å
429	T	93.4	Very high	95.2	Very high	81 Å²	81	34 Å²	34	50%	0.497	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	9.6	-169.1	68.5	0	0	0	0	116.8	V427 E460	V427-T429 PolarHBondContact O-N 3.27Å; V427-T429 VanDerWaalsContact O-N 3.13Å; T429-E460 WeakPolarHBondContact CA-O 3.29Å; T429-E460 HydrophobicContact CG2-CB 4.34Å; T429-E460 WeakPolarHBondContact CG2-O 3.28Å; T429-E460 PolarHBondContact N-O 3.15Å
430	A	94.1	Very high	94.9	Very high	22 Å²	22	30.3 Å²	30.3	18%	0.182	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-66.4	162.7	177	0	0	0	0	0	113.5	V427 G428 W478 V713	V427-A430 WeakPolarHBondContact O-CB 3.33Å; V427-A430 PolarHBondContact O-N 2.91Å; G428-A430 PolarHBondContact O-N 2.91Å; A430-W478 PolarHBondContact O-NE1 3.37Å; A430-V713 HydrophobicContact CB-CB 4.31Å; A430-V713 HydrophobicContact CB-CG2 4.48Å; A430-V713 VanDerWaalsContact CB-O 3.27Å; A430-V713 WeakPolarHBondContact CB-O 3.44Å
431	M	93	Very high	94.3	Very high	97 Å²	97	33 Å²	33	48%	0.478	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-74.6	154.8	166.9	-56.5	-52.1	-64.9	0	0	110	W478	M431-W478 WeakPolarHBondContact O-CZ2 3.36Å
432	P	94.4	Very high	93.5	Very high	28 Å²	28	33.8 Å²	33.8	18%	0.182	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-57.6	148.9	169	25.3	-34.6	0	0	0	111.8	Q477 W478 L481	P432-Q477 HydrophobicContact CG-CB 4.07Å; P432-W478 VanDerWaalsContact CA-CZ2 3.49Å; P432-W478 HydrophobicContact CB-CD2 3.87Å; P432-W478 HydrophobicContact CB-CE3 3.94Å; P432-W478 HydrophobicContact CB-CG 4.35Å; P432-W478 HydrophobicContact CB-CH2 4.44Å; P432-W478 HydrophobicContact CB-CZ2 4.33Å; P432-W478 HydrophobicContact CB-CZ3 4.24Å; P432-L481 HydrophobicContact CB-CB 4.19Å; P432-L481 HydrophobicContact CB-CD2 3.88Å; P432-L481 HydrophobicContact CB-CG 3.98Å
433	P	94.8	Very high	91.6	Very high	21 Å²	21	36.8 Å²	36.8	14%	0.136	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-72.9	165.3	165	34.9	-36.6	0	0	0	110.8	W425 D435 V436 Y711 V713	W425-P433 HydrophobicContact CH2-CG 4.25Å; W425-P433 HydrophobicContact CZ3-CG 4.43Å; P433-D435 VanDerWaalsContact C-N 3.27Å; P433-D435 WeakPolarHBondContact CG-O 3.26Å; P433-D435 PolarHBondContact O-N 2.84Å; P433-V436 HydrophobicContact CG-CG1 4.09Å; P433-Y711 HydrophobicContact CG-CD1 4.14Å; P433-Y711 HydrophobicContact CG-CE1 4.26Å; P433-V713 HydrophobicContact CB-CG1 4.41Å
434	D	91.8	Very high	89.7	Confident	173 Å²	173	39.6 Å²	39.6	93%	0.925	26%	0.258	S	S	*	.	S	Bend	trans	-70	-21.3	-180	-51.4	-55.7	0	0	0	113.7
435	D	91.3	Very high	87.2	Confident	68 Å²	68	43.9 Å²	43.9	36%	0.364	30%	0.302	S	S	.	.			trans	-134	147	177.5	176.1	52.8	0	0	0	112.4	P433 T437 Y711	P433-D435 VanDerWaalsContact C-N 3.27Å; P433-D435 WeakPolarHBondContact CG-O 3.26Å; P433-D435 PolarHBondContact O-N 2.84Å; D435-T437 VanDerWaalsContact CG-N 3.32Å; D435-T437 WeakPolarHBondContact OD1-CB 3.5Å; D435-T437 PolarHBondContact OD1-N 2.91Å; D435-T437 PolarHBondContact OD1-OG1 2.8Å; D435-T437 PolarHBondContact OD2-N 3.24Å; D435-Y711 VanDerWaalsContact O-CE1 3.31Å; D435-Y711 WeakPolarHBondContact O-CE1 3.23Å
436	V	94.3	Very high	84.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	33%	0.33	C	S	.	.			trans	-133.5	8.3	169.4	-75.5	0	0	0	0	113.4	P433 S438 L439 L440 L481 F482 A485	P433-V436 HydrophobicContact CG-CG1 4.09Å; V436-S438 VanDerWaalsContact C-N 3.31Å; V436-S438 PolarHBondContact O-N 2.82Å; V436-L439 WeakPolarHBondContact O-CB 3.37Å; V436-L439 PolarHBondContact O-N 2.92Å; V436-L440 HydrophobicContact CB-CD1 4.06Å; V436-L440 HydrophobicContact CB-CG 4.5Å; V436-L440 HydrophobicContact CG2-CD1 3.75Å; V436-L440 WeakPolarHBondContact O-CG 3.33Å; V436-L440 PolarHBondContact O-N 3.06Å; V436-L440 VanDerWaalsContact O-N 3.11Å; V436-L481 HydrophobicContact CB-CD2 4.3Å; V436-L481 HydrophobicContact CG1-CD2 3.56Å; V436-L481 HydrophobicContact CG2-CD1 4.3Å; V436-L481 HydrophobicContact CG2-CD2 3.75Å; V436-F482 HydrophobicContact CB-CD1 4.48Å; V436-F482 HydrophobicContact CB-CE1 3.9Å; V436-F482 HydrophobicContact CG1-CE1 3.78Å; V436-F482 HydrophobicContact CG1-CZ 4.19Å; V436-F482 HydrophobicContact CG2-CD1 3.93Å; V436-F482 HydrophobicContact CG2-CE1 3.85Å; V436-A485 HydrophobicContact CG2-CB 3.67Å
437	T	89.9	Confident	82.5	Confident	48 Å²	48	57.1 Å²	57.1	29%	0.294	37%	0.372	S	S	.	.	H	α-helix	trans	-52.3	-46.2	-179.4	-62.3	0	0	0	0	111.9	D435 L440 H441 L442	D435-T437 VanDerWaalsContact CG-N 3.32Å; D435-T437 WeakPolarHBondContact OD1-CB 3.5Å; D435-T437 PolarHBondContact OD1-N 2.91Å; D435-T437 PolarHBondContact OD1-OG1 2.8Å; D435-T437 PolarHBondContact OD2-N 3.24Å; T437-L440 PolarHBondContact O-N 3.12Å; T437-H441 PolarHBondContact O-N 2.82Å; T437-L442 HydrophobicContact CG2-CB 3.88Å; T437-L442 VanDerWaalsContact CG2-O 3.29Å; T437-L442 WeakPolarHBondContact CG2-O 3.15Å; T437-L442 PolarHBondContact O-N 2.83Å
438	S	89.6	Confident	80	Confident	62 Å²	62	61.3 Å²	61.3	43%	0.434	40%	0.402	S	S	.	.	H	α-helix	trans	-67.7	-39.1	-178.7	-61.5	0	0	0	0	113.2	V436 L440 H441 H708	V436-S438 VanDerWaalsContact C-N 3.31Å; V436-S438 PolarHBondContact O-N 2.82Å; S438-L440 VanDerWaalsContact C-N 3.32Å; S438-L440 PolarHBondContact O-N 3.24Å; S438-H441 PolarHBondContact O-N 2.86Å; S438-H708 PolarHBondContact O-CE1 2.98Å; S438-H708 VanDerWaalsContact O-CE1 3.3Å
439	L	93.2	Very high	78.1	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-60.5	-42.4	174	-178.3	54.7	0	0	0	111.8	V423 W425 V436 H441 H708 Y711 P718 A720	V423-L439 HydrophobicContact CG1-CD1 4.12Å; V423-L439 HydrophobicContact CG1-CD2 4Å; V423-L439 HydrophobicContact CG1-CG 4.17Å; W425-L439 HydrophobicContact CE3-CD2 4.21Å; W425-L439 HydrophobicContact CZ3-CD2 4.37Å; V436-L439 WeakPolarHBondContact O-CB 3.37Å; V436-L439 PolarHBondContact O-N 2.92Å; L439-H441 PolarHBondContact O-CE1 3.17Å; L439-H441 PolarHBondContact O-ND1 2.78Å; L439-H441 PolarHBondContact O-NE2 3.07Å; L439-H708 HydrophobicContact CD1-CB 4.31Å; L439-Y711 HydrophobicContact CB-CE2 3.64Å; L439-Y711 PolarHBondContact N-OH 2.91Å; L439-P718 HydrophobicContact CD1-CB 3.84Å; L439-P718 HydrophobicContact CD1-CG 4.29Å; L439-P718 HydrophobicContact CD2-CB 4.06Å; L439-P718 HydrophobicContact CD2-CG 4.36Å; L439-A720 HydrophobicContact CD1-CB 4.16Å
440	L	90.8	Very high	77.5	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.021	40%	0.403	C	S	.	.	H	α-helix	trans	-89.9	-1.4	-173.1	-60.7	171.7	0	0	0	113.5	V423 V436 T437 S438 L442 I454 I456 F482 L486	V423-L440 HydrophobicContact CG2-CD2 4.22Å; V436-L440 HydrophobicContact CB-CD1 4.06Å; V436-L440 HydrophobicContact CB-CG 4.5Å; V436-L440 HydrophobicContact CG2-CD1 3.75Å; V436-L440 WeakPolarHBondContact O-CG 3.33Å; V436-L440 PolarHBondContact O-N 3.06Å; V436-L440 VanDerWaalsContact O-N 3.11Å; T437-L440 PolarHBondContact O-N 3.12Å; S438-L440 VanDerWaalsContact C-N 3.32Å; S438-L440 PolarHBondContact O-N 3.24Å; L440-L442 VanDerWaalsContact C-N 3.25Å; L440-L442 HydrophobicContact CB-CD1 3.79Å; L440-L442 HydrophobicContact CB-CD2 4.34Å; L440-L442 HydrophobicContact CB-CG 3.67Å; L440-L442 HydrophobicContact CD1-CD1 3.98Å; L440-L442 PolarHBondContact O-N 2.91Å; L440-I454 HydrophobicContact CD2-CG2 4.06Å; L440-I456 HydrophobicContact CD2-CD1 3.97Å; L440-F482 HydrophobicContact CD1-CD1 3.9Å; L440-F482 HydrophobicContact CD1-CE1 4.07Å; L440-F482 HydrophobicContact CD2-CE1 4.45Å; L440-L486 HydrophobicContact CD1-CD1 4.47Å; L440-L486 HydrophobicContact CD1-CD2 4.05Å; L440-L486 HydrophobicContact CD1-CG 4.17Å
441	H	85	Confident	77.5	Confident	57 Å²	57	59.5 Å²	59.5	26%	0.264	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	33.9	-177.1	-52.9	61	0	0	0	113.3	T437 S438 L439 R706 H708 A720 Q722	T437-H441 PolarHBondContact O-N 2.82Å; S438-H441 PolarHBondContact O-N 2.86Å; L439-H441 PolarHBondContact O-CE1 3.17Å; L439-H441 PolarHBondContact O-ND1 2.78Å; L439-H441 PolarHBondContact O-NE2 3.07Å; H441-R706 PolarHBondContact CD2-NH2 3.47Å; H441-R706 PolarHBondContact NE2-NE 3.17Å; H441-H708 AromaticContact NE2-NE2 3.57Å; H441-A720 WeakPolarHBondContact NE2-CB 3.18Å; H441-Q722 PolarHBondContact CD2-NE2 3Å
442	L	79.8	Confident	77.6	Confident	20 Å²	20	55.8 Å²	55.8	11%	0.105	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	153.9	179.5	-55.4	172.4	0	0	0	110.4	T437 L440 G444 A485 L486 F489	T437-L442 HydrophobicContact CG2-CB 3.88Å; T437-L442 VanDerWaalsContact CG2-O 3.29Å; T437-L442 WeakPolarHBondContact CG2-O 3.15Å; T437-L442 PolarHBondContact O-N 2.83Å; L440-L442 VanDerWaalsContact C-N 3.25Å; L440-L442 HydrophobicContact CB-CD1 3.79Å; L440-L442 HydrophobicContact CB-CD2 4.34Å; L440-L442 HydrophobicContact CB-CG 3.67Å; L440-L442 HydrophobicContact CD1-CD1 3.98Å; L440-L442 PolarHBondContact O-N 2.91Å; L442-G444 VanDerWaalsContact C-N 3.25Å; L442-G444 PolarHBondContact O-N 2.79Å; L442-G444 VanDerWaalsContact O-N 3.17Å; L442-A485 WeakPolarHBondContact CD1-O 3.41Å; L442-L486 HydrophobicContact CD1-CD2 3.83Å; L442-L486 HydrophobicContact CD2-CD2 3.95Å; L442-L486 HydrophobicContact CG-CD2 4.45Å; L442-F489 HydrophobicContact CB-CD2 4.21Å; L442-F489 HydrophobicContact CB-CE1 4.18Å; L442-F489 HydrophobicContact CB-CE2 3.81Å; L442-F489 HydrophobicContact CB-CZ 3.79Å; L442-F489 HydrophobicContact CD1-CD2 3.86Å; L442-F489 HydrophobicContact CD1-CE2 3.87Å; L442-F489 HydrophobicContact CD2-CB 4.24Å; L442-F489 HydrophobicContact CD2-CD1 4.36Å; L442-F489 HydrophobicContact CD2-CD2 3.9Å; L442-F489 HydrophobicContact CD2-CE2 4.38Å; L442-F489 HydrophobicContact CD2-CG 3.89Å; L442-F489 HydrophobicContact CG-CD2 4.19Å; L442-F489 HydrophobicContact CG-CE2 4.21Å
443	G	60.5	Low	77.8	Confident	62 Å²	62	54.5 Å²	54.5	64%	0.639	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	5.9	173.5	0	0	0	0	0	117.1	G445	G443-G445 PolarHBondContact O-N 3.25Å
444	G	58.4	Low	78	Confident	60 Å²	60	53.5 Å²	53.5	62%	0.619	37%	0.367	S	S	*	.			trans	-70.4	118.9	170.1	0	0	0	0	0	110.9	L442 D446	L442-G444 VanDerWaalsContact C-N 3.25Å; L442-G444 PolarHBondContact O-N 2.79Å; L442-G444 VanDerWaalsContact O-N 3.17Å; G444-D446 PolarHBondContact O-N 2.82Å
445	G	46.1	Very low	78.3	Confident	89 Å²	89	45.2 Å²	45.2	92%	0.918	32%	0.323	S	S	*	.	S	Bend	trans	-72.7	43.8	-172.2	0	0	0	0	0	116.7	G443	G443-G445 PolarHBondContact O-N 3.25Å
446	D	51.2	Low	78.7	Confident	110 Å²	110	42 Å²	42	59%	0.588	31%	0.306	S	S	*	.			trans	-124.6	98.1	165.6	176.6	6.2	0	0	0	108.3	G444 S448 G449	G444-D446 PolarHBondContact O-N 2.82Å; D446-S448 PolarHBondContact O-N 3.38Å; D446-S448 WeakPolarHBondContact OD1-CB 3.4Å; D446-S448 PolarHBondContact OD1-N 2.71Å; D446-S448 VanDerWaalsContact OD1-N 3.13Å; D446-G449 PolarHBondContact O-N 2.97Å
447	D	47.2	Very low	78.9	Confident	172 Å²	172	42 Å²	42	92%	0.92	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-5	-176.4	-68.6	-50.1	0	0	0	114
448	S	45.2	Very low	79.3	Confident	89 Å²	89	39.7 Å²	39.7	62%	0.622	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-10.4	173.7	-157.9	0	0	0	0	113.9	R419 D446	R419-S448 PolarHBondContact NH2-O 2.76Å; D446-S448 PolarHBondContact O-N 3.38Å; D446-S448 WeakPolarHBondContact OD1-CB 3.4Å; D446-S448 PolarHBondContact OD1-N 2.71Å; D446-S448 VanDerWaalsContact OD1-N 3.13Å
449	G	57	Low	79.7	Confident	30 Å²	30	36.8 Å²	36.8	31%	0.309	27%	0.271	S	S	.	.			trans	-96.1	-30.4	-162.8	0	0	0	0	0	118.1	R419 D446	R419-G449 PolarHBondContact NH1-O 2.89Å; D446-G449 PolarHBondContact O-N 2.97Å
450	G	80.9	Confident	79.8	Confident	45 Å²	45	40.2 Å²	40.2	46%	0.464	29%	0.287	S	S	.	.			trans	-64	154.9	-158	0	0	0	0	0	117.1	R419	R419-G450 WeakPolarHBondContact CD-O 3.24Å
451	A	92.8	Very high	79.9	Confident	15 Å²	15	40.2 Å²	40.2	12%	0.124	29%	0.288	C	S	.	.			trans	-71.2	161	174.9	0	0	0	0	0	113.3	T421 I454 F491 K509	T421-A451 WeakPolarHBondContact OG1-CB 3.49Å; A451-I454 HydrophobicContact CB-CD1 4.49Å; A451-I454 HydrophobicContact CB-CG1 4.16Å; A451-F491 HydrophobicContact CB-CZ 4.16Å; A451-F491 WeakPolarHBondContact O-CZ 3.39Å; A451-K509 WeakPolarHBondContact O-CE 3.41Å; A451-K509 PolarHBondContact O-NZ 3.36Å
452	D	95.9	Very high	80.1	Confident	19 Å²	19	40.4 Å²	40.4	10%	0.102	29%	0.291	C	S	.	.	S	Bend	trans	-109.9	-32.6	175.6	-67.8	-60.3	0	0	0	112.6	F418 R419 F491 A508 K509 H512	F418-D452 HydrophobicContact CD2-CB 3.64Å; F418-D452 HydrophobicContact CE2-CB 3.45Å; F418-D452 VanDerWaalsContact CE2-CB 3.45Å; F418-D452 HydrophobicContact CG-CB 4.28Å; F418-D452 HydrophobicContact CZ-CB 3.94Å; R419-D452 PolarHBondContact N-OD2 2.84Å; R419-D452 PolarHBondContact O-N 2.92Å; D452-F491 WeakPolarHBondContact O-CE1 3.45Å; D452-A508 WeakPolarHBondContact O-CA 3.38Å; D452-K509 PolarHBondContact O-N 3.17Å; D452-K509 VanDerWaalsContact O-N 3.07Å; D452-H512 WeakPolarHBondContact CB-NE2 3.29Å; D452-H512 VanDerWaalsContact CG-NE2 3.31Å; D452-H512 IonicContact OD1-CD2 3.74Å; D452-H512 IonicContact OD1-CE1 3.92Å; D452-H512 IonicContact OD1-NE2 3.14Å; D452-H512 PolarHBondContact OD1-NE2 2.92Å
453	M	98.1	Very high	79.6	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	142.6	178.1	175.4	175.9	-77.8	0	0	110	F418 R419 I420 T421 L506 F507 A508 L516 L542 F551	F418-M453 HydrophobicContact CE1-CB 3.74Å; F418-M453 HydrophobicContact CE1-CE 4.34Å; F418-M453 HydrophobicContact CE1-SD 4.13Å; F418-M453 HydrophobicContact CZ-CB 3.7Å; F418-M453 HydrophobicContact CZ-CE 4.13Å; F418-M453 HydrophobicContact CZ-SD 4.44Å; R419-M453 PolarHBondContact O-N 3.42Å; R419-M453 VanDerWaalsContact O-N 3.12Å; I420-M453 WeakPolarHBondContact CA-O 3.34Å; I420-M453 HydrophobicContact CD1-SD 4.3Å; I420-M453 HydrophobicContact CG1-CB 4.31Å; T421-M453 PolarHBondContact N-O 2.85Å; M453-L506 HydrophobicContact CG-CD1 3.83Å; M453-L506 HydrophobicContact SD-CD1 3.97Å; M453-F507 CarbonylContact C-O 3.6Å; M453-F507 VanDerWaalsContact CA-O 3.28Å; M453-F507 WeakPolarHBondContact CA-O 3.2Å; M453-F507 WeakPolarHBondContact CG-O 3.31Å; M453-A508 HydrophobicContact CE-CB 4.12Å; M453-L516 HydrophobicContact CE-CD1 3.76Å; M453-L516 HydrophobicContact CE-CD2 3.81Å; M453-L516 HydrophobicContact CE-CG 4.48Å; M453-L542 HydrophobicContact CE-CD1 4.32Å; M453-L542 HydrophobicContact CE-CD2 4.17Å; M453-F551 HydrophobicContact SD-CE2 3.99Å; M453-F551 HydrophobicContact SD-CZ 3.69Å
454	I	98.6	Very high	79.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	120.8	-179.5	-56.1	178.4	0	0	0	109.4	T421 L440 A451 I456 L486 F491 F507	T421-I454 CarbonylContact O-C 3.48Å; T421-I454 VanDerWaalsContact O-CA 3.31Å; T421-I454 WeakPolarHBondContact O-CA 3.02Å; L440-I454 HydrophobicContact CD2-CG2 4.06Å; A451-I454 HydrophobicContact CB-CD1 4.49Å; A451-I454 HydrophobicContact CB-CG1 4.16Å; I454-I456 HydrophobicContact CG2-CD1 4.1Å; I454-I456 HydrophobicContact CG2-CG1 3.77Å; I454-L486 HydrophobicContact CD1-CD1 4.41Å; I454-L486 HydrophobicContact CD1-CD2 3.61Å; I454-F491 HydrophobicContact CD1-CD1 4.41Å; I454-F491 HydrophobicContact CD1-CE1 3.87Å; I454-F491 HydrophobicContact CD1-CE2 3.97Å; I454-F491 HydrophobicContact CD1-CZ 3.62Å; I454-F491 HydrophobicContact CG1-CD1 4.44Å; I454-F491 HydrophobicContact CG1-CE1 3.72Å; I454-F491 HydrophobicContact CG1-CZ 3.83Å; I454-F507 HydrophobicContact CB-CB 4.42Å; I454-F507 PolarHBondContact N-O 2.55Å; I454-F507 PolarHBondContact O-N 3.2Å
455	A	98.8	Very high	79.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.2	175.3	0	0	0	0	0	109.9	T421 V422 V423 L504 L505 L506 F551 F596	T421-A455 PolarHBondContact O-N 2.96Å; V422-A455 CarbonylContact C-O 3.53Å; V422-A455 WeakPolarHBondContact CA-O 3.41Å; V422-A455 HydrophobicContact CG2-CB 4.46Å; V423-A455 PolarHBondContact N-O 2.96Å; A455-L504 HydrophobicContact CB-CD1 4.47Å; A455-L505 WeakPolarHBondContact CA-O 3.28Å; A455-L506 HydrophobicContact CB-CD1 3.72Å; A455-F551 HydrophobicContact CB-CD1 3.47Å; A455-F551 VanDerWaalsContact CB-CD1 3.47Å; A455-F551 HydrophobicContact CB-CE1 3.67Å; A455-F551 HydrophobicContact CB-CG 4.21Å; A455-F596 HydrophobicContact CB-CZ 4.25Å
456	I	98.9	Very high	79.5	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	109	-175.5	-49.5	-177.1	0	0	0	109.5	V423 L440 I454 L458 F482 L486 L504 L505 F507	V423-I456 HydrophobicContact CB-CG2 4.35Å; V423-I456 HydrophobicContact CG1-CG2 4.38Å; L440-I456 HydrophobicContact CD2-CD1 3.97Å; I454-I456 HydrophobicContact CG2-CD1 4.1Å; I454-I456 HydrophobicContact CG2-CG1 3.77Å; I456-L458 HydrophobicContact CG2-CD2 3.86Å; I456-L458 HydrophobicContact CG2-CG 4.21Å; I456-F482 HydrophobicContact CD1-CB 4.13Å; I456-F482 HydrophobicContact CD1-CD1 3.44Å; I456-F482 VanDerWaalsContact CD1-CD1 3.44Å; I456-F482 HydrophobicContact CD1-CD2 4.05Å; I456-F482 HydrophobicContact CD1-CE1 3.78Å; I456-F482 HydrophobicContact CD1-CE2 4.36Å; I456-F482 HydrophobicContact CD1-CG 3.61Å; I456-F482 HydrophobicContact CD1-CZ 4.24Å; I456-F482 HydrophobicContact CG2-CD2 4.23Å; I456-F482 HydrophobicContact CG2-CE1 4.5Å; I456-F482 HydrophobicContact CG2-CE2 3.81Å; I456-F482 HydrophobicContact CG2-CZ 3.96Å; I456-L486 HydrophobicContact CD1-CD1 4.42Å; I456-L504 WeakPolarHBondContact O-CA 3.42Å; I456-L505 HydrophobicContact CB-CB 4.39Å; I456-L505 PolarHBondContact N-O 3.08Å; I456-L505 PolarHBondContact O-N 3.38Å; I456-F507 HydrophobicContact CD1-CD2 4.3Å; I456-F507 HydrophobicContact CD1-CE2 4.04Å
457	G	98.8	Very high	79	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	112.1	176.5	0	0	0	0	0	111.5	V423 T424 W425 Q459 I503 N553	V423-G457 PolarHBondContact O-N 2.98Å; T424-G457 CarbonylContact C-O 3.39Å; T424-G457 VanDerWaalsContact CA-O 3.25Å; T424-G457 WeakPolarHBondContact CA-O 3.15Å; W425-G457 PolarHBondContact N-O 3.1Å; G457-Q459 PolarHBondContact O-NE2 3.05Å; G457-Q459 VanDerWaalsContact O-NE2 3.16Å; G457-I503 CarbonylContact C-O 3.52Å; G457-I503 WeakPolarHBondContact CA-O 3.37Å; G457-N553 VanDerWaalsContact CA-ND2 3.28Å; G457-N553 WeakPolarHBondContact CA-ND2 3.41Å
458	L	98.6	Very high	78.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	149	176.8	-52.7	176.5	0	0	0	111.2	W425 V427 I456 V461 W478 F482 V502 I503 N553	W425-L458 HydrophobicContact CB-CD2 4.14Å; W425-L458 WeakPolarHBondContact O-CA 3.29Å; V427-L458 HydrophobicContact CG1-CD2 4.21Å; I456-L458 HydrophobicContact CG2-CD2 3.86Å; I456-L458 HydrophobicContact CG2-CG 4.21Å; L458-V461 HydrophobicContact CB-CG2 3.33Å; L458-V461 HydrophobicContact CD1-CG2 3.8Å; L458-V461 HydrophobicContact CG-CG2 4.22Å; L458-W478 HydrophobicContact CD1-CB 3.72Å; L458-W478 HydrophobicContact CD1-CD2 4.32Å; L458-W478 HydrophobicContact CD1-CE3 4.36Å; L458-W478 HydrophobicContact CD1-CG 4.11Å; L458-F482 HydrophobicContact CD1-CE2 4.05Å; L458-F482 HydrophobicContact CD2-CE2 4.11Å; L458-V502 WeakPolarHBondContact O-CA 3.24Å; L458-I503 HydrophobicContact CB-CB 4.32Å; L458-I503 PolarHBondContact N-O 2.92Å; L458-I503 PolarHBondContact O-N 2.87Å; L458-N553 PolarHBondContact N-ND2 2.73Å; L458-N553 PolarHBondContact O-ND2 3.42Å
459	Q	98.3	Very high	79	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.2	172.3	-47.6	81.6	35.1	0	0	111.7	T424 W425 N426 V427 G457 V461 G501 N553 H555 D598	T424-Q459 PolarHBondContact OG1-NE2 2.89Å; T424-Q459 PolarHBondContact OG1-OE1 2.87Å; W425-Q459 PolarHBondContact O-N 2.82Å; W425-Q459 PolarHBondContact O-OE1 2.7Å; N426-Q459 CarbonylContact C-O 3.57Å; N426-Q459 WeakPolarHBondContact CA-O 3.5Å; N426-Q459 HydrophobicContact CB-CB 4.1Å; N426-Q459 PolarHBondContact OD1-O 2.79Å; V427-Q459 PolarHBondContact N-O 3.06Å; G457-Q459 PolarHBondContact O-NE2 3.05Å; G457-Q459 VanDerWaalsContact O-NE2 3.16Å; Q459-V461 PolarHBondContact O-N 2.87Å; Q459-V461 VanDerWaalsContact O-N 3.11Å; Q459-G501 CarbonylContact C-O 3.53Å; Q459-G501 VanDerWaalsContact C-O 3.31Å; Q459-G501 WeakPolarHBondContact CA-O 3.41Å; Q459-N553 PolarHBondContact NE2-OD1 2.95Å; Q459-H555 HydrophobicContact CB-CB 4.21Å; Q459-H555 WeakPolarHBondContact CB-ND1 3.37Å; Q459-H555 HydrophobicContact CG-CB 3.95Å; Q459-D598 HydrophobicContact CB-CB 4.4Å; Q459-D598 HydrophobicContact CG-CB 4.05Å
460	E	95.7	Very high	78.5	Confident	72 Å²	72	63.1 Å²	63.1	34%	0.336	32%	0.318	S	S	.	.	S	Bend	trans	49.3	29.1	-171	-44.8	-148.7	156.6	0	0	114.6	N426 T429 N462 G501 K535 H555	N426-E460 WeakPolarHBondContact OD1-CB 3.42Å; N426-E460 WeakPolarHBondContact OD1-CG 3.16Å; T429-E460 WeakPolarHBondContact CA-O 3.29Å; T429-E460 HydrophobicContact CG2-CB 4.34Å; T429-E460 WeakPolarHBondContact CG2-O 3.28Å; T429-E460 PolarHBondContact N-O 3.15Å; E460-N462 PolarHBondContact O-N 2.85Å; E460-G501 PolarHBondContact N-O 2.79Å; E460-K535 IonicContact OE1-NZ 3.68Å; E460-K535 PolarHBondContact OE1-NZ 3.48Å; E460-H555 WeakPolarHBondContact CG-CE1 3.44Å; E460-H555 IonicContact OE1-CE1 2.72Å; E460-H555 PolarHBondContact OE1-CE1 2.73Å; E460-H555 IonicContact OE1-ND1 3.74Å; E460-H555 IonicContact OE1-NE2 3.85Å
461	V	93.3	Very high	76.9	Confident	5 Å²	5	67 Å²	67	3%	0.03	33%	0.328	C	S	.	.			trans	-57.8	131.7	168.5	-176.7	0	0	0	0	108.7	V427 L458 Q459 S463 W478 G501 I503	V427-V461 HydrophobicContact CG2-CB 4.25Å; V427-V461 HydrophobicContact CG2-CG2 3.84Å; L458-V461 HydrophobicContact CB-CG2 3.33Å; L458-V461 HydrophobicContact CD1-CG2 3.8Å; L458-V461 HydrophobicContact CG-CG2 4.22Å; Q459-V461 PolarHBondContact O-N 2.87Å; Q459-V461 VanDerWaalsContact O-N 3.11Å; V461-S463 PolarHBondContact O-N 2.94Å; V461-W478 HydrophobicContact CG1-CG 4.36Å; V461-G501 PolarHBondContact N-O 2.91Å; V461-G501 VanDerWaalsContact O-CA 3.26Å; V461-G501 WeakPolarHBondContact O-CA 3.45Å; V461-I503 HydrophobicContact CB-CD1 3.78Å; V461-I503 HydrophobicContact CB-CG1 4.19Å; V461-I503 HydrophobicContact CG1-CD1 3.7Å; V461-I503 HydrophobicContact CG2-CD1 3.74Å; V461-I503 HydrophobicContact CG2-CG1 3.96Å
462	N	87.8	Confident	74.7	Confident	61 Å²	61	71 Å²	71	33%	0.326	36%	0.36	S	S	.	.			trans	-51.1	119.4	-175.9	-169.3	-20.7	0	0	0	110.3	E460 M464 R498	E460-N462 PolarHBondContact O-N 2.85Å; N462-M464 WeakPolarHBondContact OD1-CB 3.31Å; N462-M464 WeakPolarHBondContact OD1-CG 3.38Å; N462-M464 PolarHBondContact OD1-N 2.71Å; N462-R498 PolarHBondContact O-NH2 2.87Å
463	S	70.8	Confident	72.4	Confident	49 Å²	49	76.4 Å²	76.4	34%	0.343	39%	0.389	S	S	.	.			trans	-116.1	26	-178.2	89.3	0	0	0	0	111.4	V461 L465 Q500	V461-S463 PolarHBondContact O-N 2.94Å; S463-L465 PolarHBondContact O-N 2.88Å; S463-L465 VanDerWaalsContact O-N 3.11Å; S463-Q500 VanDerWaalsContact CB-O 3.23Å; S463-Q500 WeakPolarHBondContact CB-O 3.15Å; S463-Q500 WeakPolarHBondContact OG-CG 3.39Å
464	M	61.9	Low	70	Confident	146 Å²	146	82 Å²	82	72%	0.719	41%	0.413	S	S	*	.			trans	-56.3	119.7	167.4	-79.9	-148.3	-68.8	0	0	108.5	N462 N466	N462-M464 WeakPolarHBondContact OD1-CB 3.31Å; N462-M464 WeakPolarHBondContact OD1-CG 3.38Å; N462-M464 PolarHBondContact OD1-N 2.71Å; M464-N466 PolarHBondContact O-N 3.08Å
465	L	53.9	Low	68.5	Low	134 Å²	134	84.8 Å²	84.8	70%	0.702	43%	0.431	S	S	*	.			trans	-62.4	104.2	177.1	-168.9	79.8	0	0	0	107.9	S463 K467	S463-L465 PolarHBondContact O-N 2.88Å; S463-L465 VanDerWaalsContact O-N 3.11Å; L465-K467 PolarHBondContact O-N 3.43Å
466	N	45.8	Very low	67.8	Low	110 Å²	110	86.5 Å²	86.5	59%	0.588	44%	0.44	S	S	*	.			trans	-60.8	102.3	174.4	-88.9	-37.1	0	0	0	107.6	M464 R468	M464-N466 PolarHBondContact O-N 3.08Å; N466-R468 PolarHBondContact O-N 2.96Å
467	K	42	Very low	67.4	Low	190 Å²	190	92.3 Å²	92.3	83%	0.826	47%	0.467	S	S	*	.	S	Bend	trans	-68.9	66.7	-176.3	-74.2	-175.8	174.9	178	0	111.7	L465	L465-K467 PolarHBondContact O-N 3.43Å
468	R	43.4	Very low	67.1	Low	215 Å²	215	92.7 Å²	92.7	81%	0.811	47%	0.468	S	S	*	.	S	Bend	trans	170.3	103.5	162.4	-87.4	136.7	-159.5	-102.9	8.8	108.3	N466 K470	N466-R468 PolarHBondContact O-N 2.96Å; R468-K470 VanDerWaalsContact C-N 3.32Å; R468-K470 PolarHBondContact O-N 2.59Å
469	L	47.3	Very low	66.9	Low	171 Å²	171	92.8 Å²	92.8	90%	0.895	47%	0.469	S	S	*	.	S	Bend	trans	44.8	41.7	138	-158.3	66.4	0	0	0	117.3
470	K	47.5	Very low	66.6	Low	94 Å²	94	95 Å²	95	41%	0.409	48%	0.479	S	S	.	.			trans	-117.8	-18.8	-179.8	-84.1	-158.9	166.2	-145.3	0	115.2	R468 A472 L473 F474	R468-K470 VanDerWaalsContact C-N 3.32Å; R468-K470 PolarHBondContact O-N 2.59Å; K470-A472 PolarHBondContact O-N 2.84Å; K470-L473 PolarHBondContact O-N 3.06Å; K470-F474 HydrophobicContact CB-CD2 3.97Å; K470-F474 HydrophobicContact CD-CB 4.47Å; K470-F474 HydrophobicContact CD-CD2 3.44Å; K470-F474 VanDerWaalsContact CD-CD2 3.44Å; K470-F474 HydrophobicContact CD-CE2 3.89Å; K470-F474 HydrophobicContact CD-CG 4.05Å; K470-F474 VanDerWaalsContact CE-CE2 3.49Å; K470-F474 HydrophobicContact CG-CD2 3.58Å; K470-F474 HydrophobicContact CG-CE2 4.04Å; K470-F474 PolarHBondContact O-N 2.97Å
471	D	46.3	Very low	66.6	Low	127 Å²	127	93 Å²	93	68%	0.679	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-8.9	-176.6	-52.3	1.9	0	0	0	114.4
472	A	46.5	Very low	66.7	Low	97 Å²	97	92.8 Å²	92.8	80%	0.802	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	0.3	173.5	0	0	0	0	0	114.1	K470	K470-A472 PolarHBondContact O-N 2.84Å
473	L	48.6	Very low	67.1	Low	134 Å²	134	90.1 Å²	90.1	70%	0.702	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.3	-16.6	-169.7	-69	174.1	0	0	0	115	K470	K470-L473 PolarHBondContact O-N 3.06Å
474	F	47.9	Very low	68.2	Low	116 Å²	116	91.9 Å²	91.9	51%	0.509	46%	0.461	S	S	.	.			trans	-137.7	116.6	180	-64.5	-86.8	0	0	0	110.5	K470	K470-F474 HydrophobicContact CB-CD2 3.97Å; K470-F474 HydrophobicContact CD-CB 4.47Å; K470-F474 HydrophobicContact CD-CD2 3.44Å; K470-F474 VanDerWaalsContact CD-CD2 3.44Å; K470-F474 HydrophobicContact CD-CE2 3.89Å; K470-F474 HydrophobicContact CD-CG 4.05Å; K470-F474 VanDerWaalsContact CE-CE2 3.49Å; K470-F474 HydrophobicContact CG-CD2 3.58Å; K470-F474 HydrophobicContact CG-CE2 4.04Å; K470-F474 PolarHBondContact O-N 2.97Å
475	T	67.7	Low	69.8	Low	60 Å²	60	85.8 Å²	85.8	37%	0.368	43%	0.434	S	S	.	.			trans	-58.1	155.7	163.1	-11.6	0	0	0	0	109.6	S479 E480 M483	T475-S479 VanDerWaalsContact CG2-CB 3.5Å; T475-E480 WeakPolarHBondContact CB-OE1 3.41Å; T475-E480 PolarHBondContact OG1-OE1 3.1Å; T475-M483 HydrophobicContact CG2-CE 4.23Å
476	D	83	Confident	71.7	Confident	35 Å²	35	79.4 Å²	79.4	19%	0.187	40%	0.4	C	S	.	.			trans	-70.5	157.1	176.1	55.9	72.5	0	0	0	112.1	W478 S479 E480 R498 I503	D476-W478 PolarHBondContact O-N 3.2Å; D476-W478 VanDerWaalsContact O-N 3.16Å; D476-S479 VanDerWaalsContact CG-OG 3.24Å; D476-S479 CarbonylContact O-C 3.58Å; D476-S479 WeakPolarHBondContact O-CA 3.43Å; D476-S479 WeakPolarHBondContact O-CB 3.4Å; D476-S479 PolarHBondContact O-N 2.96Å; D476-S479 WeakPolarHBondContact OD1-CB 3.14Å; D476-S479 PolarHBondContact OD1-N 3.42Å; D476-S479 PolarHBondContact OD1-OG 3.28Å; D476-S479 PolarHBondContact OD2-OG 3.45Å; D476-E480 PolarHBondContact O-N 2.96Å; D476-R498 VanDerWaalsContact CB-NH1 3.28Å; D476-R498 IonicContact OD2-CZ 3.26Å; D476-R498 IonicContact OD2-NH1 3.99Å; D476-R498 PolarHBondContact OD2-NH1 2.86Å; D476-I503 VanDerWaalsContact OD2-CD1 3.31Å; D476-I503 WeakPolarHBondContact OD2-CD1 3.16Å
477	Q	90	Very high	74.1	Confident	123 Å²	123	74.5 Å²	74.5	58%	0.575	38%	0.375	S	S	*	.	H	α-helix	trans	-63.3	-25	-171.7	-69.1	171.1	58.9	0	0	113.5	P432 L481	P432-Q477 HydrophobicContact CG-CB 4.07Å; Q477-L481 VanDerWaalsContact O-CB 3.26Å; Q477-L481 WeakPolarHBondContact O-CB 3.38Å; Q477-L481 PolarHBondContact O-N 2.91Å
478	W	94.1	Very high	76.5	Confident	7 Å²	7	69.9 Å²	69.9	3%	0.027	36%	0.364	C	S	.	.	H	α-helix	trans	-70.4	-42.9	170.6	-77	94	0	0	0	111.1	W425 V427 A430 M431 P432 L458 V461 D476 L481 F482 V713	W425-W478 HydrophobicContact CD2-CH2 4.41Å; W425-W478 AromaticContact CE3-CH2 3.83Å; W425-W478 HydrophobicContact CE3-CH2 3.83Å; W425-W478 AromaticContact CE3-CZ3 3.71Å; W425-W478 HydrophobicContact CE3-CZ3 3.71Å; W425-W478 AromaticContact CH2-CH2 3.76Å; W425-W478 HydrophobicContact CH2-CH2 3.76Å; W425-W478 HydrophobicContact CH2-CZ3 4.2Å; W425-W478 HydrophobicContact CZ2-CH2 4.34Å; W425-W478 AromaticContact CZ3-CH2 3.49Å; W425-W478 HydrophobicContact CZ3-CH2 3.49Å; W425-W478 VanDerWaalsContact CZ3-CH2 3.49Å; W425-W478 AromaticContact CZ3-CZ3 3.47Å; W425-W478 HydrophobicContact CZ3-CZ3 3.47Å; W425-W478 VanDerWaalsContact CZ3-CZ3 3.47Å; V427-W478 HydrophobicContact CB-CH2 4.08Å; V427-W478 HydrophobicContact CB-CZ2 3.52Å; V427-W478 HydrophobicContact CG1-CD2 4.25Å; V427-W478 HydrophobicContact CG1-CE3 4.36Å; V427-W478 HydrophobicContact CG1-CH2 3.56Å; V427-W478 HydrophobicContact CG1-CZ2 3.45Å; V427-W478 VanDerWaalsContact CG1-CZ2 3.45Å; V427-W478 HydrophobicContact CG1-CZ3 4.05Å; V427-W478 HydrophobicContact CG2-CZ2 4.09Å; A430-W478 PolarHBondContact O-NE1 3.37Å; M431-W478 WeakPolarHBondContact O-CZ2 3.36Å; P432-W478 VanDerWaalsContact CA-CZ2 3.49Å; P432-W478 HydrophobicContact CB-CD2 3.87Å; P432-W478 HydrophobicContact CB-CE3 3.94Å; P432-W478 HydrophobicContact CB-CG 4.35Å; P432-W478 HydrophobicContact CB-CH2 4.44Å; P432-W478 HydrophobicContact CB-CZ2 4.33Å; P432-W478 HydrophobicContact CB-CZ3 4.24Å; L458-W478 HydrophobicContact CD1-CB 3.72Å; L458-W478 HydrophobicContact CD1-CD2 4.32Å; L458-W478 HydrophobicContact CD1-CE3 4.36Å; L458-W478 HydrophobicContact CD1-CG 4.11Å; V461-W478 HydrophobicContact CG1-CG 4.36Å; D476-W478 PolarHBondContact O-N 3.2Å; D476-W478 VanDerWaalsContact O-N 3.16Å; W478-L481 PolarHBondContact O-N 2.96Å; W478-F482 AromaticContact CE3-CE2 3.83Å; W478-F482 HydrophobicContact CE3-CE2 3.83Å; W478-F482 HydrophobicContact CE3-CZ 4.24Å; W478-F482 HydrophobicContact CZ3-CE2 4.46Å; W478-F482 HydrophobicContact CZ3-CZ 4.44Å; W478-F482 WeakPolarHBondContact O-CD2 3.41Å; W478-F482 PolarHBondContact O-N 2.86Å; W478-V713 HydrophobicContact CH2-CG2 4.45Å
479	S	93.6	Very high	78.8	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.014	34%	0.342	C	S	.	.	H	α-helix	trans	-65.4	-40	175.3	-54.3	0	0	0	0	113	T475 D476 M483	T475-S479 VanDerWaalsContact CG2-CB 3.5Å; D476-S479 VanDerWaalsContact CG-OG 3.24Å; D476-S479 CarbonylContact O-C 3.58Å; D476-S479 WeakPolarHBondContact O-CA 3.43Å; D476-S479 WeakPolarHBondContact O-CB 3.4Å; D476-S479 PolarHBondContact O-N 2.96Å; D476-S479 WeakPolarHBondContact OD1-CB 3.14Å; D476-S479 PolarHBondContact OD1-N 3.42Å; D476-S479 PolarHBondContact OD1-OG 3.28Å; D476-S479 PolarHBondContact OD2-OG 3.45Å; S479-M483 WeakPolarHBondContact O-CB 3.49Å; S479-M483 WeakPolarHBondContact O-CG 3.25Å; S479-M483 PolarHBondContact O-N 2.83Å
480	E	92.1	Very high	81.1	Confident	47 Å²	47	58 Å²	58	22%	0.22	31%	0.314	C	S	.	.	H	α-helix	trans	-62.7	-49.5	172.4	-66.7	-64.3	146.7	0	0	111.4	T475 D476 F482 M483 D484 R776	T475-E480 WeakPolarHBondContact CB-OE1 3.41Å; T475-E480 PolarHBondContact OG1-OE1 3.1Å; D476-E480 PolarHBondContact O-N 2.96Å; E480-F482 VanDerWaalsContact C-N 3.31Å; E480-F482 PolarHBondContact O-N 2.73Å; E480-M483 VanDerWaalsContact CD-CE 3.5Å; E480-M483 HydrophobicContact CG-CE 4.36Å; E480-M483 CarbonylContact O-C 3.6Å; E480-M483 WeakPolarHBondContact O-CA 3.36Å; E480-M483 WeakPolarHBondContact O-CB 3.31Å; E480-M483 PolarHBondContact O-N 2.99Å; E480-M483 WeakPolarHBondContact OE1-CE 3.37Å; E480-D484 PolarHBondContact O-N 2.99Å; E480-R776 IonicContact OE2-CZ 3.38Å; E480-R776 VanDerWaalsContact OE2-CZ 3.26Å; E480-R776 IonicContact OE2-NH1 3.25Å; E480-R776 PolarHBondContact OE2-NH1 3.36Å; E480-R776 IonicContact OE2-NH2 2.99Å; E480-R776 PolarHBondContact OE2-NH2 3.39Å
481	L	94.9	Very high	83.5	Confident	29 Å²	29	53.8 Å²	53.8	15%	0.152	30%	0.296	C	S	.	.	H	α-helix	trans	-56.7	-43.7	178.9	-170.2	15.5	0	0	0	111.8	P432 V436 Q477 W478 A485	P432-L481 HydrophobicContact CB-CB 4.19Å; P432-L481 HydrophobicContact CB-CD2 3.88Å; P432-L481 HydrophobicContact CB-CG 3.98Å; V436-L481 HydrophobicContact CB-CD2 4.3Å; V436-L481 HydrophobicContact CG1-CD2 3.56Å; V436-L481 HydrophobicContact CG2-CD1 4.3Å; V436-L481 HydrophobicContact CG2-CD2 3.75Å; Q477-L481 VanDerWaalsContact O-CB 3.26Å; Q477-L481 WeakPolarHBondContact O-CB 3.38Å; Q477-L481 PolarHBondContact O-N 2.91Å; W478-L481 PolarHBondContact O-N 2.96Å; L481-A485 VanDerWaalsContact O-CB 3.24Å; L481-A485 WeakPolarHBondContact O-CB 3.47Å; L481-A485 PolarHBondContact O-N 3.31Å
482	F	96.4	Very high	85.9	Confident	1 Å²	1	47.8 Å²	47.8	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-68.9	-33.1	174.8	-72.1	-56	0	0	0	113.6	V436 L440 I456 L458 W478 E480 L486 L505 F507	V436-F482 HydrophobicContact CB-CD1 4.48Å; V436-F482 HydrophobicContact CB-CE1 3.9Å; V436-F482 HydrophobicContact CG1-CE1 3.78Å; V436-F482 HydrophobicContact CG1-CZ 4.19Å; V436-F482 HydrophobicContact CG2-CD1 3.93Å; V436-F482 HydrophobicContact CG2-CE1 3.85Å; L440-F482 HydrophobicContact CD1-CD1 3.9Å; L440-F482 HydrophobicContact CD1-CE1 4.07Å; L440-F482 HydrophobicContact CD2-CE1 4.45Å; I456-F482 HydrophobicContact CD1-CB 4.13Å; I456-F482 HydrophobicContact CD1-CD1 3.44Å; I456-F482 VanDerWaalsContact CD1-CD1 3.44Å; I456-F482 HydrophobicContact CD1-CD2 4.05Å; I456-F482 HydrophobicContact CD1-CE1 3.78Å; I456-F482 HydrophobicContact CD1-CE2 4.36Å; I456-F482 HydrophobicContact CD1-CG 3.61Å; I456-F482 HydrophobicContact CD1-CZ 4.24Å; I456-F482 HydrophobicContact CG2-CD2 4.23Å; I456-F482 HydrophobicContact CG2-CE1 4.5Å; I456-F482 HydrophobicContact CG2-CE2 3.81Å; I456-F482 HydrophobicContact CG2-CZ 3.96Å; L458-F482 HydrophobicContact CD1-CE2 4.05Å; L458-F482 HydrophobicContact CD2-CE2 4.11Å; W478-F482 AromaticContact CE3-CE2 3.83Å; W478-F482 HydrophobicContact CE3-CE2 3.83Å; W478-F482 HydrophobicContact CE3-CZ 4.24Å; W478-F482 HydrophobicContact CZ3-CE2 4.46Å; W478-F482 HydrophobicContact CZ3-CZ 4.44Å; W478-F482 WeakPolarHBondContact O-CD2 3.41Å; W478-F482 PolarHBondContact O-N 2.86Å; E480-F482 VanDerWaalsContact C-N 3.31Å; E480-F482 PolarHBondContact O-N 2.73Å; F482-L486 WeakPolarHBondContact O-CB 3.17Å; F482-L486 WeakPolarHBondContact O-CD1 3.18Å; F482-L486 VanDerWaalsContact O-CG 3.25Å; F482-L486 WeakPolarHBondContact O-CG 3.24Å; F482-L486 PolarHBondContact O-N 3.04Å; F482-L505 HydrophobicContact CB-CD1 4.32Å; F482-L505 HydrophobicContact CD2-CD1 4.05Å; F482-F507 HydrophobicContact CB-CE2 4Å; F482-F507 HydrophobicContact CB-CZ 3.78Å
483	M	95.3	Very high	88.3	Confident	6 Å²	6	43.5 Å²	43.5	3%	0.03	23%	0.228	C	C	.	.	H	α-helix	trans	-66.2	-46.1	172.8	-82.2	-171.1	-56	0	0	112.3	T475 S479 E480 L486 A487 L493 F507 R776 H777	T475-M483 HydrophobicContact CG2-CE 4.23Å; S479-M483 WeakPolarHBondContact O-CB 3.49Å; S479-M483 WeakPolarHBondContact O-CG 3.25Å; S479-M483 PolarHBondContact O-N 2.83Å; E480-M483 VanDerWaalsContact CD-CE 3.5Å; E480-M483 HydrophobicContact CG-CE 4.36Å; E480-M483 CarbonylContact O-C 3.6Å; E480-M483 WeakPolarHBondContact O-CA 3.36Å; E480-M483 WeakPolarHBondContact O-CB 3.31Å; E480-M483 PolarHBondContact O-N 2.99Å; E480-M483 WeakPolarHBondContact OE1-CE 3.37Å; M483-L486 PolarHBondContact O-N 3.47Å; M483-A487 WeakPolarHBondContact O-CB 3.47Å; M483-A487 PolarHBondContact O-N 2.84Å; M483-A487 VanDerWaalsContact O-N 3.1Å; M483-L493 HydrophobicContact CG-CB 4.28Å; M483-L493 HydrophobicContact CG-CD2 4.2Å; M483-L493 HydrophobicContact SD-CB 4.34Å; M483-L493 HydrophobicContact SD-CD2 3.74Å; M483-F507 HydrophobicContact CG-CE1 3.88Å; M483-F507 HydrophobicContact CG-CZ 4.14Å; M483-R776 HydrophobicContact CB-CB 3.96Å; M483-R776 HydrophobicContact CB-CG 4.45Å; M483-R776 HydrophobicContact CG-CB 4.28Å; M483-R776 HydrophobicContact SD-CB 4.35Å; M483-H777 HydrophobicContact SD-CB 4.26Å
484	D	94	Very high	90.6	Very high	85 Å²	85	38 Å²	38	46%	0.455	20%	0.2	S	C	.	.	H	α-helix	trans	-68.5	-40.8	-179.6	-71	-35.9	0	0	0	112.4	E480 L486 P488 R776	E480-D484 PolarHBondContact O-N 2.99Å; D484-L486 VanDerWaalsContact C-N 3.3Å; D484-L486 PolarHBondContact O-N 3.06Å; D484-P488 WeakPolarHBondContact O-CD 3.06Å; D484-R776 VanDerWaalsContact CG-NH1 3.31Å; D484-R776 WeakPolarHBondContact OD1-CD 3.33Å; D484-R776 IonicContact OD1-CZ 3.89Å; D484-R776 IonicContact OD1-NE 3.93Å; D484-R776 IonicContact OD1-NH1 2.82Å; D484-R776 PolarHBondContact OD1-NH1 2.96Å; D484-R776 IonicContact OD2-NH1 3.48Å; D484-R776 PolarHBondContact OD2-NH1 2.72Å
485	A	94.6	Very high	92.9	Very high	19 Å²	19	33.4 Å²	33.4	16%	0.157	18%	0.182	C	C	.	.	H	α-helix	trans	-69.3	-25.7	178	0	0	0	0	0	113.6	V436 L442 L481 F489	V436-A485 HydrophobicContact CG2-CB 3.67Å; L442-A485 WeakPolarHBondContact CD1-O 3.41Å; L481-A485 VanDerWaalsContact O-CB 3.24Å; L481-A485 WeakPolarHBondContact O-CB 3.47Å; L481-A485 PolarHBondContact O-N 3.31Å; A485-F489 WeakPolarHBondContact O-CD2 3.26Å
486	L	95.4	Very high	94.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-99.7	-29.6	-172.6	-74.7	175.5	0	0	0	114.6	L440 L442 I454 I456 F482 M483 D484 F489 F491 F507	L440-L486 HydrophobicContact CD1-CD1 4.47Å; L440-L486 HydrophobicContact CD1-CD2 4.05Å; L440-L486 HydrophobicContact CD1-CG 4.17Å; L442-L486 HydrophobicContact CD1-CD2 3.83Å; L442-L486 HydrophobicContact CD2-CD2 3.95Å; L442-L486 HydrophobicContact CG-CD2 4.45Å; I454-L486 HydrophobicContact CD1-CD1 4.41Å; I454-L486 HydrophobicContact CD1-CD2 3.61Å; I456-L486 HydrophobicContact CD1-CD1 4.42Å; F482-L486 WeakPolarHBondContact O-CB 3.17Å; F482-L486 WeakPolarHBondContact O-CD1 3.18Å; F482-L486 VanDerWaalsContact O-CG 3.25Å; F482-L486 WeakPolarHBondContact O-CG 3.24Å; F482-L486 PolarHBondContact O-N 3.04Å; M483-L486 PolarHBondContact O-N 3.47Å; D484-L486 VanDerWaalsContact C-N 3.3Å; D484-L486 PolarHBondContact O-N 3.06Å; L486-F489 CarbonylContact O-C 3.56Å; L486-F489 WeakPolarHBondContact O-CA 3.22Å; L486-F489 PolarHBondContact O-N 2.84Å; L486-F491 HydrophobicContact CB-CB 3.82Å; L486-F491 HydrophobicContact CB-CG 4.48Å; L486-F491 HydrophobicContact CD2-CD2 4.06Å; L486-F491 HydrophobicContact CD2-CG 4.36Å; L486-F491 PolarHBondContact O-N 2.84Å; L486-F507 HydrophobicContact CB-CD1 4.43Å; L486-F507 HydrophobicContact CD1-CB 4.19Å; L486-F507 HydrophobicContact CD1-CD1 3.78Å; L486-F507 HydrophobicContact CD1-CD2 3.68Å; L486-F507 HydrophobicContact CD1-CE1 3.99Å; L486-F507 HydrophobicContact CD1-CE2 3.89Å; L486-F507 HydrophobicContact CD1-CG 3.63Å; L486-F507 HydrophobicContact CD1-CZ 4.04Å
487	A	94.5	Very high	94.8	Very high	6 Å²	6	32.6 Å²	32.6	5%	0.05	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-54.5	-42.6	178.6	0	0	0	0	0	115.3	M483 F489 N490 G774 R776	M483-A487 WeakPolarHBondContact O-CB 3.47Å; M483-A487 PolarHBondContact O-N 2.84Å; M483-A487 VanDerWaalsContact O-N 3.1Å; A487-F489 PolarHBondContact O-N 2.79Å; A487-N490 PolarHBondContact O-N 3.16Å; A487-G774 VanDerWaalsContact CB-O 3.24Å; A487-G774 WeakPolarHBondContact CB-O 3.4Å; A487-R776 HydrophobicContact CB-CB 4.37Å; A487-R776 HydrophobicContact CB-CG 3.67Å
488	P	93.2	Very high	94.9	Very high	94 Å²	94	31 Å²	31	61%	0.61	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-59.4	-18.8	175.2	-26.2	36	0	0	0	114.2	D484	D484-P488 WeakPolarHBondContact O-CD 3.06Å
489	F	92.8	Very high	94.8	Very high	75 Å²	75	30.9 Å²	30.9	33%	0.329	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-101.8	24.2	177.2	-56.6	-83.5	0	0	0	112.3	L442 A485 L486 A487 F491	L442-F489 HydrophobicContact CB-CD2 4.21Å; L442-F489 HydrophobicContact CB-CE1 4.18Å; L442-F489 HydrophobicContact CB-CE2 3.81Å; L442-F489 HydrophobicContact CB-CZ 3.79Å; L442-F489 HydrophobicContact CD1-CD2 3.86Å; L442-F489 HydrophobicContact CD1-CE2 3.87Å; L442-F489 HydrophobicContact CD2-CB 4.24Å; L442-F489 HydrophobicContact CD2-CD1 4.36Å; L442-F489 HydrophobicContact CD2-CD2 3.9Å; L442-F489 HydrophobicContact CD2-CE2 4.38Å; L442-F489 HydrophobicContact CD2-CG 3.89Å; L442-F489 HydrophobicContact CG-CD2 4.19Å; L442-F489 HydrophobicContact CG-CE2 4.21Å; A485-F489 WeakPolarHBondContact O-CD2 3.26Å; L486-F489 CarbonylContact O-C 3.56Å; L486-F489 WeakPolarHBondContact O-CA 3.22Å; L486-F489 PolarHBondContact O-N 2.84Å; A487-F489 PolarHBondContact O-N 2.79Å; F489-F491 HydrophobicContact CB-CD2 3.96Å; F489-F491 HydrophobicContact CB-CE2 4.32Å; F489-F491 VanDerWaalsContact O-CD2 3.3Å; F489-F491 WeakPolarHBondContact O-CD2 3.25Å; F489-F491 PolarHBondContact O-N 3.13Å
490	N	94.7	Very high	94.6	Very high	61 Å²	61	33.6 Å²	33.6	33%	0.326	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	13.8	177.2	-69	-50.7	0	0	0	115.9	A487 K509 Y510	A487-N490 PolarHBondContact O-N 3.16Å; N490-K509 CarbonylContact O-C 3.59Å; N490-K509 VanDerWaalsContact O-CA 3.22Å; N490-K509 WeakPolarHBondContact O-CA 3.4Å; N490-Y510 HydrophobicContact CB-CD1 3.87Å; N490-Y510 HydrophobicContact CB-CE1 4.02Å; N490-Y510 PolarHBondContact O-N 2.9Å
491	F	97.1	Very high	94.5	Very high	5 Å²	5	31.7 Å²	31.7	2%	0.022	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	137	178.6	-78.2	-86.3	0	0	0	113	A451 D452 I454 L486 F489 F507 K509	A451-F491 HydrophobicContact CB-CZ 4.16Å; A451-F491 WeakPolarHBondContact O-CZ 3.39Å; D452-F491 WeakPolarHBondContact O-CE1 3.45Å; I454-F491 HydrophobicContact CD1-CD1 4.41Å; I454-F491 HydrophobicContact CD1-CE1 3.87Å; I454-F491 HydrophobicContact CD1-CE2 3.97Å; I454-F491 HydrophobicContact CD1-CZ 3.62Å; I454-F491 HydrophobicContact CG1-CD1 4.44Å; I454-F491 HydrophobicContact CG1-CE1 3.72Å; I454-F491 HydrophobicContact CG1-CZ 3.83Å; L486-F491 HydrophobicContact CB-CB 3.82Å; L486-F491 HydrophobicContact CB-CG 4.48Å; L486-F491 HydrophobicContact CD2-CD2 4.06Å; L486-F491 HydrophobicContact CD2-CG 4.36Å; L486-F491 PolarHBondContact O-N 2.84Å; F489-F491 HydrophobicContact CB-CD2 3.96Å; F489-F491 HydrophobicContact CB-CE2 4.32Å; F489-F491 VanDerWaalsContact O-CD2 3.3Å; F489-F491 WeakPolarHBondContact O-CD2 3.25Å; F489-F491 PolarHBondContact O-N 3.13Å; F491-F507 HydrophobicContact CB-CB 4.43Å; F491-F507 HydrophobicContact CD1-CB 4.04Å; F491-K509 HydrophobicContact CD1-CG 4.01Å; F491-K509 HydrophobicContact CD2-CG 4.13Å; F491-K509 HydrophobicContact CE1-CG 3.91Å; F491-K509 HydrophobicContact CE2-CG 4.04Å; F491-K509 HydrophobicContact CG-CG 4.12Å; F491-K509 HydrophobicContact CZ-CD 4.47Å; F491-K509 HydrophobicContact CZ-CG 3.93Å
492	V	97.3	Very high	94.6	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.1	176.4	-173.5	0	0	0	0	108.9	V494 F507 A508 L513 F775 R776	V492-V494 PolarHBondContact O-N 2.91Å; V492-V494 VanDerWaalsContact O-N 3.17Å; V492-F507 VanDerWaalsContact O-CA 3.29Å; V492-F507 WeakPolarHBondContact O-CA 3.49Å; V492-A508 PolarHBondContact N-O 2.82Å; V492-A508 PolarHBondContact O-N 3.38Å; V492-A508 VanDerWaalsContact O-N 3.07Å; V492-L513 HydrophobicContact CB-CD1 4.19Å; V492-L513 HydrophobicContact CG1-CD1 4.36Å; V492-L513 HydrophobicContact CG2-CD1 4.19Å; V492-F775 HydrophobicContact CB-CE2 4.33Å; V492-F775 HydrophobicContact CG1-CD2 4.14Å; V492-F775 HydrophobicContact CG1-CE2 3.72Å; V492-F775 HydrophobicContact CG2-CD2 4.09Å; V492-F775 HydrophobicContact CG2-CE1 4.23Å; V492-F775 HydrophobicContact CG2-CE2 3.57Å; V492-F775 HydrophobicContact CG2-CZ 3.66Å; V492-R776 WeakPolarHBondContact CA-O 3.49Å
493	L	97.8	Very high	94.5	Very high	7 Å²	7	30.3 Å²	30.3	4%	0.037	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	108.7	170.6	-180	61.5	0	0	0	109.7	M483 S495 L505 F507 R776	M483-L493 HydrophobicContact CG-CB 4.28Å; M483-L493 HydrophobicContact CG-CD2 4.2Å; M483-L493 HydrophobicContact SD-CB 4.34Å; M483-L493 HydrophobicContact SD-CD2 3.74Å; L493-S495 WeakPolarHBondContact CD1-O 3.35Å; L493-L505 HydrophobicContact CD1-CB 4.14Å; L493-L505 HydrophobicContact CD1-CD2 4.33Å; L493-F507 HydrophobicContact CB-CD1 4Å; L493-F507 HydrophobicContact CB-CE1 3.75Å; L493-F507 HydrophobicContact CB-CZ 4.4Å; L493-F507 HydrophobicContact CD1-CD1 4.33Å; L493-F507 HydrophobicContact CD1-CD2 4.37Å; L493-F507 HydrophobicContact CD1-CE1 4.04Å; L493-F507 HydrophobicContact CD1-CE2 4.08Å; L493-F507 HydrophobicContact CD1-CG 4.49Å; L493-F507 HydrophobicContact CD1-CZ 3.91Å; L493-F507 HydrophobicContact CG-CE1 4.43Å; L493-R776 PolarHBondContact N-O 3.3Å
494	V	96.9	Very high	94.7	Very high	19 Å²	19	30 Å²	30	12%	0.115	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-42.1	-179	-173.8	0	0	0	0	111.1	V492 L506 A508 L513 L516 V519 L542 I824	V492-V494 PolarHBondContact O-N 2.91Å; V492-V494 VanDerWaalsContact O-N 3.17Å; V494-L506 WeakPolarHBondContact CA-O 3.4Å; V494-L506 WeakPolarHBondContact CB-O 3.31Å; V494-L506 PolarHBondContact N-O 3.12Å; V494-A508 HydrophobicContact CG2-CB 3.69Å; V494-L513 HydrophobicContact CG2-CD2 3.68Å; V494-L516 HydrophobicContact CG1-CD1 4.21Å; V494-L516 HydrophobicContact CG2-CD1 4.13Å; V494-V519 HydrophobicContact CG1-CG2 4.44Å; V494-L542 HydrophobicContact CG1-CD2 4.42Å; V494-I824 HydrophobicContact CG1-CD1 3.61Å; V494-I824 HydrophobicContact CG1-CG1 4.33Å
495	S	96.1	Very high	94.9	Very high	18 Å²	18	26 Å²	26	13%	0.126	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	148.4	-176.8	-161.5	0	0	0	0	111.7	L493 L506 T521	L493-S495 WeakPolarHBondContact CD1-O 3.35Å; S495-L506 PolarHBondContact N-O 2.93Å; S495-L506 PolarHBondContact O-N 3Å; S495-T521 VanDerWaalsContact OG-CG2 3.3Å; S495-T521 WeakPolarHBondContact OG-CG2 3.29Å
496	S	95.1	Very high	95.1	Very high	63 Å²	63	25.1 Å²	25.1	44%	0.441	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	129.5	175.9	63.1	0	0	0	0	110.2	L504	S496-L504 WeakPolarHBondContact CA-O 3.28Å
497	V	94.8	Very high	95.2	Very high	15 Å²	15	25.1 Å²	25.1	9%	0.091	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.5	174.4	59.7	0	0	0	0	110.3	I503 L504 T521 V538 V540	V497-I503 CarbonylContact O-C 3.47Å; V497-I503 WeakPolarHBondContact O-CA 3.39Å; V497-L504 HydrophobicContact CG1-CB 3.8Å; V497-L504 HydrophobicContact CG1-CG 4.43Å; V497-L504 PolarHBondContact N-O 2.81Å; V497-L504 PolarHBondContact O-N 2.97Å; V497-T521 HydrophobicContact CB-CG2 4.2Å; V497-V538 HydrophobicContact CG1-CB 3.86Å; V497-V538 HydrophobicContact CG1-CG2 4.02Å; V497-V538 HydrophobicContact CG2-CB 4.15Å; V497-V540 HydrophobicContact CG1-CG2 3.8Å
498	R	92.8	Very high	95.4	Very high	90 Å²	90	24.9 Å²	24.9	34%	0.34	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129	-175.9	179.9	160.9	-172.9	166.1	1	112.3	N462 D476 Q500 V502 I503	N462-R498 PolarHBondContact O-NH2 2.87Å; D476-R498 VanDerWaalsContact CB-NH1 3.28Å; D476-R498 IonicContact OD2-CZ 3.26Å; D476-R498 IonicContact OD2-NH1 3.99Å; D476-R498 PolarHBondContact OD2-NH1 2.86Å; R498-Q500 VanDerWaalsContact CZ-O 3.29Å; R498-Q500 PolarHBondContact NE-O 3.04Å; R498-Q500 PolarHBondContact NH2-O 3.24Å; R498-V502 WeakPolarHBondContact CA-O 3.46Å; R498-I503 HydrophobicContact CB-CG1 4.45Å; R498-I503 HydrophobicContact CB-CG2 4.49Å; R498-I503 HydrophobicContact CG-CD1 4.4Å; R498-I503 HydrophobicContact CG-CG1 3.97Å
499	M	91.4	Very high	95.6	Very high	4 Å²	4	22 Å²	22	2%	0.02	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	92.8	172.5	-177.3	-176.4	63.9	0	0	108.9	G501 V502 C523 R525 V538	M499-G501 PolarHBondContact O-N 2.89Å; M499-V502 HydrophobicContact CE-CB 4.2Å; M499-V502 HydrophobicContact CE-CG2 4.02Å; M499-V502 PolarHBondContact N-O 3.05Å; M499-V502 PolarHBondContact O-N 2.85Å; M499-C523 HydrophobicContact CB-CB 4.25Å; M499-C523 HydrophobicContact SD-CB 4.22Å; M499-R525 HydrophobicContact CG-CG 4.03Å; M499-R525 HydrophobicContact SD-CB 4.27Å; M499-R525 HydrophobicContact SD-CG 3.55Å; M499-R525 VanDerWaalsContact SD-CG 3.55Å; M499-V538 HydrophobicContact CB-CG1 3.33Å; M499-V538 HydrophobicContact CE-CG1 4.16Å; M499-V538 HydrophobicContact CG-CG1 4.45Å; M499-V538 HydrophobicContact SD-CG1 4.47Å
500	Q	88.6	Confident	95.7	Very high	59 Å²	59	19.1 Å²	19.1	28%	0.276	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	-92.7	-177.7	-170.5	168.4	13.9	0	0	113.5	S463 R498 G533 N534	S463-Q500 VanDerWaalsContact CB-O 3.23Å; S463-Q500 WeakPolarHBondContact CB-O 3.15Å; S463-Q500 WeakPolarHBondContact OG-CG 3.39Å; R498-Q500 VanDerWaalsContact CZ-O 3.29Å; R498-Q500 PolarHBondContact NE-O 3.04Å; R498-Q500 PolarHBondContact NH2-O 3.24Å; Q500-G533 VanDerWaalsContact OE1-CA 3.32Å; Q500-N534 VanDerWaalsContact OE1-N 3.08Å
501	G	91.1	Very high	95.8	Very high	7 Å²	7	19.4 Å²	19.4	7%	0.072	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	1.9	177.2	0	0	0	0	0	114.1	Q459 E460 V461 M499	Q459-G501 CarbonylContact C-O 3.53Å; Q459-G501 VanDerWaalsContact C-O 3.31Å; Q459-G501 WeakPolarHBondContact CA-O 3.41Å; E460-G501 PolarHBondContact N-O 2.79Å; V461-G501 PolarHBondContact N-O 2.91Å; V461-G501 VanDerWaalsContact O-CA 3.26Å; V461-G501 WeakPolarHBondContact O-CA 3.45Å; M499-G501 PolarHBondContact O-N 2.89Å
502	V	95.8	Very high	95.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.5	172.6	-169.3	0	0	0	0	108	L458 R498 M499 V538 N553 H555	L458-V502 WeakPolarHBondContact O-CA 3.24Å; R498-V502 WeakPolarHBondContact CA-O 3.46Å; M499-V502 HydrophobicContact CE-CB 4.2Å; M499-V502 HydrophobicContact CE-CG2 4.02Å; M499-V502 PolarHBondContact N-O 3.05Å; M499-V502 PolarHBondContact O-N 2.85Å; V502-V538 HydrophobicContact CB-CG1 4.41Å; V502-V538 HydrophobicContact CG1-CG1 4.25Å; V502-V538 HydrophobicContact CG1-CG2 3.91Å; V502-N553 WeakPolarHBondContact CG1-ND2 3.23Å; V502-H555 HydrophobicContact CG2-CB 3.69Å
503	I	96.3	Very high	95.7	Very high	2 Å²	2	20 Å²	20	1%	0.01	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	140.1	-179.1	-45.2	-173.3	0	0	0	109.1	G457 L458 V461 D476 V497 R498 L505 N553	G457-I503 CarbonylContact C-O 3.52Å; G457-I503 WeakPolarHBondContact CA-O 3.37Å; L458-I503 HydrophobicContact CB-CB 4.32Å; L458-I503 PolarHBondContact N-O 2.92Å; L458-I503 PolarHBondContact O-N 2.87Å; V461-I503 HydrophobicContact CB-CD1 3.78Å; V461-I503 HydrophobicContact CB-CG1 4.19Å; V461-I503 HydrophobicContact CG1-CD1 3.7Å; V461-I503 HydrophobicContact CG2-CD1 3.74Å; V461-I503 HydrophobicContact CG2-CG1 3.96Å; D476-I503 VanDerWaalsContact OD2-CD1 3.31Å; D476-I503 WeakPolarHBondContact OD2-CD1 3.16Å; V497-I503 CarbonylContact O-C 3.47Å; V497-I503 WeakPolarHBondContact O-CA 3.39Å; R498-I503 HydrophobicContact CB-CG1 4.45Å; R498-I503 HydrophobicContact CB-CG2 4.49Å; R498-I503 HydrophobicContact CG-CD1 4.4Å; R498-I503 HydrophobicContact CG-CG1 3.97Å; I503-L505 HydrophobicContact CG2-CD2 3.81Å; I503-L505 HydrophobicContact CG2-CG 4.09Å; I503-N553 PolarHBondContact O-ND2 2.84Å
504	L	98.5	Very high	95.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.8	163.7	171.3	57.5	0	0	0	108.8	A455 I456 S496 V497 V538 V540 F551 N553 F596	A455-L504 HydrophobicContact CB-CD1 4.47Å; I456-L504 WeakPolarHBondContact O-CA 3.42Å; S496-L504 WeakPolarHBondContact CA-O 3.28Å; V497-L504 HydrophobicContact CG1-CB 3.8Å; V497-L504 HydrophobicContact CG1-CG 4.43Å; V497-L504 PolarHBondContact N-O 2.81Å; V497-L504 PolarHBondContact O-N 2.97Å; L504-V538 HydrophobicContact CB-CG2 3.7Å; L504-V540 HydrophobicContact CD2-CB 4.17Å; L504-V540 HydrophobicContact CD2-CG2 3.8Å; L504-V540 HydrophobicContact CG-CG2 3.91Å; L504-F551 HydrophobicContact CD2-CB 3.87Å; L504-F551 VanDerWaalsContact CD2-O 3.27Å; L504-F551 WeakPolarHBondContact CD2-O 3.35Å; L504-N553 HydrophobicContact CB-CB 4.12Å; L504-N553 HydrophobicContact CD2-CB 4.45Å; L504-F596 HydrophobicContact CD1-CE2 4.05Å; L504-F596 HydrophobicContact CD1-CZ 3.67Å; L504-F596 HydrophobicContact CD2-CZ 4.49Å
505	L	98.4	Very high	95.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.7	172	-53.6	177.8	0	0	0	108.6	A455 I456 F482 L493 I503 F507	A455-L505 WeakPolarHBondContact CA-O 3.28Å; I456-L505 HydrophobicContact CB-CB 4.39Å; I456-L505 PolarHBondContact N-O 3.08Å; I456-L505 PolarHBondContact O-N 3.38Å; F482-L505 HydrophobicContact CB-CD1 4.32Å; F482-L505 HydrophobicContact CD2-CD1 4.05Å; L493-L505 HydrophobicContact CD1-CB 4.14Å; L493-L505 HydrophobicContact CD1-CD2 4.33Å; I503-L505 HydrophobicContact CG2-CD2 3.81Å; I503-L505 HydrophobicContact CG2-CG 4.09Å; L505-F507 HydrophobicContact CB-CD2 4.3Å; L505-F507 HydrophobicContact CB-CE2 3.69Å; L505-F507 HydrophobicContact CD1-CE2 4.09Å; L505-F507 HydrophobicContact CD1-CZ 4.38Å
506	L	98.6	Very high	95.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	115.7	175.8	-171.6	64	0	0	0	109.8	M453 A455 V494 S495 V540 L542 F551	M453-L506 HydrophobicContact CG-CD1 3.83Å; M453-L506 HydrophobicContact SD-CD1 3.97Å; A455-L506 HydrophobicContact CB-CD1 3.72Å; V494-L506 WeakPolarHBondContact CA-O 3.4Å; V494-L506 WeakPolarHBondContact CB-O 3.31Å; V494-L506 PolarHBondContact N-O 3.12Å; S495-L506 PolarHBondContact N-O 2.93Å; S495-L506 PolarHBondContact O-N 3Å; L506-V540 HydrophobicContact CB-CG1 4.47Å; L506-V540 HydrophobicContact CD2-CB 4.36Å; L506-V540 HydrophobicContact CD2-CG1 3.67Å; L506-L542 HydrophobicContact CD2-CD2 3.61Å; L506-L542 HydrophobicContact CD2-CG 4.35Å; L506-F551 HydrophobicContact CD1-CD2 4.08Å; L506-F551 HydrophobicContact CD1-CE1 4.35Å; L506-F551 HydrophobicContact CD1-CE2 3.85Å; L506-F551 HydrophobicContact CD1-CG 4.43Å; L506-F551 HydrophobicContact CD1-CZ 3.99Å; L506-F551 HydrophobicContact CD2-CD2 3.99Å; L506-F551 HydrophobicContact CD2-CE2 3.94Å
507	F	98.5	Very high	95.4	Very high	1 Å²	1	18.8 Å²	18.8	0%	0.004	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	146.4	178.2	-63.7	-97.2	0	0	0	110.4	M453 I454 I456 F482 M483 L486 F491 V492 L493 L505	M453-F507 CarbonylContact C-O 3.6Å; M453-F507 VanDerWaalsContact CA-O 3.28Å; M453-F507 WeakPolarHBondContact CA-O 3.2Å; M453-F507 WeakPolarHBondContact CG-O 3.31Å; I454-F507 HydrophobicContact CB-CB 4.42Å; I454-F507 PolarHBondContact N-O 2.55Å; I454-F507 PolarHBondContact O-N 3.2Å; I456-F507 HydrophobicContact CD1-CD2 4.3Å; I456-F507 HydrophobicContact CD1-CE2 4.04Å; F482-F507 HydrophobicContact CB-CE2 4Å; F482-F507 HydrophobicContact CB-CZ 3.78Å; M483-F507 HydrophobicContact CG-CE1 3.88Å; M483-F507 HydrophobicContact CG-CZ 4.14Å; L486-F507 HydrophobicContact CB-CD1 4.43Å; L486-F507 HydrophobicContact CD1-CB 4.19Å; L486-F507 HydrophobicContact CD1-CD1 3.78Å; L486-F507 HydrophobicContact CD1-CD2 3.68Å; L486-F507 HydrophobicContact CD1-CE1 3.99Å; L486-F507 HydrophobicContact CD1-CE2 3.89Å; L486-F507 HydrophobicContact CD1-CG 3.63Å; L486-F507 HydrophobicContact CD1-CZ 4.04Å; F491-F507 HydrophobicContact CB-CB 4.43Å; F491-F507 HydrophobicContact CD1-CB 4.04Å; V492-F507 VanDerWaalsContact O-CA 3.29Å; V492-F507 WeakPolarHBondContact O-CA 3.49Å; L493-F507 HydrophobicContact CB-CD1 4Å; L493-F507 HydrophobicContact CB-CE1 3.75Å; L493-F507 HydrophobicContact CB-CZ 4.4Å; L493-F507 HydrophobicContact CD1-CD1 4.33Å; L493-F507 HydrophobicContact CD1-CD2 4.37Å; L493-F507 HydrophobicContact CD1-CE1 4.04Å; L493-F507 HydrophobicContact CD1-CE2 4.08Å; L493-F507 HydrophobicContact CD1-CG 4.49Å; L493-F507 HydrophobicContact CD1-CZ 3.91Å; L493-F507 HydrophobicContact CG-CE1 4.43Å; L505-F507 HydrophobicContact CB-CD2 4.3Å; L505-F507 HydrophobicContact CB-CE2 3.69Å; L505-F507 HydrophobicContact CD1-CE2 4.09Å; L505-F507 HydrophobicContact CD1-CZ 4.38Å
508	A	98.1	Very high	95.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	154.3	168.3	0	0	0	0	0	109.7	D452 M453 V492 V494 L513 L516	D452-A508 WeakPolarHBondContact O-CA 3.38Å; M453-A508 HydrophobicContact CE-CB 4.12Å; V492-A508 PolarHBondContact N-O 2.82Å; V492-A508 PolarHBondContact O-N 3.38Å; V492-A508 VanDerWaalsContact O-N 3.07Å; V494-A508 HydrophobicContact CG2-CB 3.69Å; A508-L513 HydrophobicContact CB-CD2 4.31Å; A508-L516 HydrophobicContact CB-CD1 3.76Å
509	K	96.7	Very high	95.4	Very high	33 Å²	33	17.6 Å²	17.6	14%	0.143	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	143.1	175.3	-68.2	178.9	174	159.8	0	111.4	A451 D452 N490 F491 Y511 H512	A451-K509 WeakPolarHBondContact O-CE 3.41Å; A451-K509 PolarHBondContact O-NZ 3.36Å; D452-K509 PolarHBondContact O-N 3.17Å; D452-K509 VanDerWaalsContact O-N 3.07Å; N490-K509 CarbonylContact O-C 3.59Å; N490-K509 VanDerWaalsContact O-CA 3.22Å; N490-K509 WeakPolarHBondContact O-CA 3.4Å; F491-K509 HydrophobicContact CD1-CG 4.01Å; F491-K509 HydrophobicContact CD2-CG 4.13Å; F491-K509 HydrophobicContact CE1-CG 3.91Å; F491-K509 HydrophobicContact CE2-CG 4.04Å; F491-K509 HydrophobicContact CG-CG 4.12Å; F491-K509 HydrophobicContact CZ-CD 4.47Å; F491-K509 HydrophobicContact CZ-CG 3.93Å; K509-Y511 HydrophobicContact CB-CD1 4.16Å; K509-Y511 HydrophobicContact CB-CE1 3.83Å; K509-Y511 HydrophobicContact CB-CE2 4.32Å; K509-Y511 HydrophobicContact CD-CE1 3.76Å; K509-Y511 HydrophobicContact CD-CE2 4.38Å; K509-Y511 WeakPolarHBondContact CD-OH 3.36Å; K509-Y511 HydrophobicContact CG-CE1 4.4Å; K509-Y511 PolarHBondContact NZ-OH 2.74Å; K509-Y511 PolarHBondContact O-N 3.33Å; K509-Y511 VanDerWaalsContact O-N 3.1Å; K509-H512 WeakPolarHBondContact O-CB 3.32Å; K509-H512 PolarHBondContact O-N 3.01Å
510	Y	96.1	Very high	95.6	Very high	16 Å²	16	20 Å²	20	6%	0.063	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-54.3	-37.6	-170.8	77.4	-95.9	0	0	0	113	N490 H512 L513 I814 V828 E830	N490-Y510 HydrophobicContact CB-CD1 3.87Å; N490-Y510 HydrophobicContact CB-CE1 4.02Å; N490-Y510 PolarHBondContact O-N 2.9Å; Y510-H512 PolarHBondContact O-N 3.01Å; Y510-L513 WeakPolarHBondContact O-CB 3.42Å; Y510-L513 VanDerWaalsContact O-CG 3.25Å; Y510-L513 WeakPolarHBondContact O-CG 3.5Å; Y510-L513 PolarHBondContact O-N 3.41Å; Y510-I814 HydrophobicContact CD1-CD1 4.03Å; Y510-I814 HydrophobicContact CD2-CD1 3.92Å; Y510-I814 HydrophobicContact CD2-CG2 4.44Å; Y510-I814 HydrophobicContact CE1-CD1 3.97Å; Y510-I814 HydrophobicContact CE2-CD1 3.89Å; Y510-I814 HydrophobicContact CG-CD1 4.05Å; Y510-V828 HydrophobicContact CD2-CG2 4.14Å; Y510-E830 PolarHBondContact OH-OE2 3.29Å
511	Y	95.3	Very high	96	Very high	66 Å²	66	20.3 Å²	20.3	26%	0.259	10%	0.1	S	C	.	.	G	3₁₀ helix	trans	-70.4	-15.8	-179	56.3	-105	0	0	0	113.9	K509 F515	K509-Y511 HydrophobicContact CB-CD1 4.16Å; K509-Y511 HydrophobicContact CB-CE1 3.83Å; K509-Y511 HydrophobicContact CB-CE2 4.32Å; K509-Y511 HydrophobicContact CD-CE1 3.76Å; K509-Y511 HydrophobicContact CD-CE2 4.38Å; K509-Y511 WeakPolarHBondContact CD-OH 3.36Å; K509-Y511 HydrophobicContact CG-CE1 4.4Å; K509-Y511 PolarHBondContact NZ-OH 2.74Å; K509-Y511 PolarHBondContact O-N 3.33Å; K509-Y511 VanDerWaalsContact O-N 3.1Å; Y511-F515 VanDerWaalsContact O-CE2 3.31Å; Y511-F515 WeakPolarHBondContact O-CE2 3.37Å
512	H	96.5	Very high	96.3	Very high	16 Å²	16	22.2 Å²	22.2	7%	0.074	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-85.9	-18.7	173.3	-68.6	-49.7	0	0	0	113.5	F418 D452 K509 Y510 P514 F515 F545	F418-H512 HydrophobicContact CE2-CB 4.5Å; F418-H512 AromaticContact CE2-CD2 3.76Å; F418-H512 AromaticContact CE2-CE1 3.99Å; F418-H512 AromaticContact CE2-CG 3.9Å; F418-H512 AromaticContact CE2-NE2 3.82Å; D452-H512 WeakPolarHBondContact CB-NE2 3.29Å; D452-H512 VanDerWaalsContact CG-NE2 3.31Å; D452-H512 IonicContact OD1-CD2 3.74Å; D452-H512 IonicContact OD1-CE1 3.92Å; D452-H512 IonicContact OD1-NE2 3.14Å; D452-H512 PolarHBondContact OD1-NE2 2.92Å; K509-H512 WeakPolarHBondContact O-CB 3.32Å; K509-H512 PolarHBondContact O-N 3.01Å; Y510-H512 PolarHBondContact O-N 3.01Å; H512-P514 VanDerWaalsContact C-CD 3.42Å; H512-F515 PolarHBondContact O-N 3.21Å; H512-F515 VanDerWaalsContact O-N 3.1Å; H512-F545 AromaticContact ND1-CZ 3.63Å
513	L	96.8	Very high	96.3	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.021	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-55.2	-40.3	-172.8	-58.8	176.7	0	0	0	114.6	V492 V494 A508 Y510 F515 L516 I824 L825	V492-L513 HydrophobicContact CB-CD1 4.19Å; V492-L513 HydrophobicContact CG1-CD1 4.36Å; V492-L513 HydrophobicContact CG2-CD1 4.19Å; V494-L513 HydrophobicContact CG2-CD2 3.68Å; A508-L513 HydrophobicContact CB-CD2 4.31Å; Y510-L513 WeakPolarHBondContact O-CB 3.42Å; Y510-L513 VanDerWaalsContact O-CG 3.25Å; Y510-L513 WeakPolarHBondContact O-CG 3.5Å; Y510-L513 PolarHBondContact O-N 3.41Å; L513-F515 PolarHBondContact O-N 2.81Å; L513-L516 HydrophobicContact CD2-CD1 4.2Å; L513-L516 PolarHBondContact O-N 3.45Å; L513-I824 HydrophobicContact CD2-CD1 4.48Å; L513-L825 CarbonylContact C-O 3.58Å; L513-L825 HydrophobicContact CB-CB 4.31Å; L513-L825 HydrophobicContact CD1-CB 4.16Å; L513-L825 HydrophobicContact CD1-CD1 3.91Å; L513-L825 HydrophobicContact CD1-CG 4.45Å
514	P	95.9	Very high	96.3	Very high	6 Å²	6	24.9 Å²	24.9	4%	0.039	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-61.6	-18.2	179.3	-23.3	34.9	0	0	0	115.1	H512 P734 V828	H512-P514 VanDerWaalsContact C-CD 3.42Å; P514-P734 HydrophobicContact CB-CB 3.65Å; P514-V828 HydrophobicContact CG-CB 4.49Å; P514-V828 HydrophobicContact CG-CG1 4.39Å; P514-V828 HydrophobicContact CG-CG2 3.83Å
515	F	95.5	Very high	96.2	Very high	35 Å²	35	30.7 Å²	30.7	15%	0.154	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-102.6	1.6	-179	-39.2	-62.9	0	0	0	112.6	Y511 H512 L513 F545 D732 P734	Y511-F515 VanDerWaalsContact O-CE2 3.31Å; Y511-F515 WeakPolarHBondContact O-CE2 3.37Å; H512-F515 PolarHBondContact O-N 3.21Å; H512-F515 VanDerWaalsContact O-N 3.1Å; L513-F515 PolarHBondContact O-N 2.81Å; F515-F545 HydrophobicContact CB-CD1 3.6Å; F515-F545 HydrophobicContact CB-CE1 3.45Å; F515-F545 VanDerWaalsContact CB-CE1 3.45Å; F515-F545 HydrophobicContact CB-CG 4.28Å; F515-F545 HydrophobicContact CB-CZ 4Å; F515-F545 HydrophobicContact CD2-CD1 4.35Å; F515-F545 AromaticContact CD2-CE1 3.48Å; F515-F545 HydrophobicContact CD2-CE1 3.48Å; F515-F545 VanDerWaalsContact CD2-CE1 3.48Å; F515-F545 HydrophobicContact CD2-CZ 4.01Å; F515-F545 HydrophobicContact CE2-CE1 4.41Å; F515-F545 HydrophobicContact CG-CD1 4.01Å; F515-F545 AromaticContact CG-CE1 3.58Å; F515-F545 HydrophobicContact CG-CE1 3.58Å; F515-F545 HydrophobicContact CG-CZ 4.35Å; F515-F545 PolarHBondContact O-N 2.96Å; F515-D732 WeakPolarHBondContact CE1-O 3.2Å; F515-P734 HydrophobicContact CE1-CB 4.34Å
516	L	95.7	Very high	96	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.2	171.2	-55.9	-172.5	0	0	0	109.2	M453 V494 A508 L513 L542 A543 A544 I824	M453-L516 HydrophobicContact CE-CD1 3.76Å; M453-L516 HydrophobicContact CE-CD2 3.81Å; M453-L516 HydrophobicContact CE-CG 4.48Å; V494-L516 HydrophobicContact CG1-CD1 4.21Å; V494-L516 HydrophobicContact CG2-CD1 4.13Å; A508-L516 HydrophobicContact CB-CD1 3.76Å; L513-L516 HydrophobicContact CD2-CD1 4.2Å; L513-L516 PolarHBondContact O-N 3.45Å; L516-L542 HydrophobicContact CB-CD2 4.49Å; L516-L542 HydrophobicContact CD1-CD2 4.23Å; L516-L542 HydrophobicContact CD2-CD1 4.11Å; L516-A543 CarbonylContact C-O 3.57Å; L516-A543 WeakPolarHBondContact CA-O 3.16Å; L516-A544 HydrophobicContact CD2-CB 3.75Å; L516-I824 HydrophobicContact CB-CD1 3.68Å; L516-I824 HydrophobicContact CD1-CD1 4.44Å
517	R	92.2	Very high	95.2	Very high	40 Å²	40	31.4 Å²	31.4	15%	0.151	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	166.9	-175.3	-50.8	-175.5	-164.4	138.7	3	111.5	V519 L542 A543 D731 M733	R517-V519 VanDerWaalsContact C-N 3.28Å; R517-V519 PolarHBondContact O-N 3.07Å; R517-V519 VanDerWaalsContact O-N 3.17Å; R517-L542 CarbonylContact O-C 3.46Å; R517-L542 WeakPolarHBondContact O-CA 3.42Å; R517-L542 WeakPolarHBondContact O-CB 3.27Å; R517-A543 HydrophobicContact CB-CB 4.36Å; R517-A543 PolarHBondContact N-O 3.36Å; R517-A543 PolarHBondContact O-N 3.46Å; R517-D731 IonicContact CZ-OD1 3.75Å; R517-D731 IonicContact CZ-OD2 3.96Å; R517-D731 IonicContact NH1-OD1 3.08Å; R517-D731 IonicContact NH1-OD2 3.24Å; R517-D731 PolarHBondContact NH1-OD2 2.78Å; R517-D731 IonicContact NH2-OD1 3.81Å; R517-D731 PolarHBondContact NH2-OD1 2.75Å; R517-D731 IonicContact NH2-OD2 3.85Å; R517-D731 PolarHBondContact NH2-OD2 3.28Å; R517-M733 PolarHBondContact NH2-O 2.96Å
518	D	91.4	Very high	94.4	Very high	55 Å²	55	37.7 Å²	37.7	29%	0.294	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	48.5	42.7	174.2	-54.8	-13.6	0	0	0	115.3	Q520 R541 H822	D518-Q520 PolarHBondContact O-N 2.85Å; D518-R541 VanDerWaalsContact CB-NH1 3.3Å; D518-R541 WeakPolarHBondContact O-CD 3.21Å; D518-R541 PolarHBondContact O-NH1 3.27Å; D518-H822 IonicContact OD1-CE1 2.85Å; D518-H822 IonicContact OD1-ND1 3.06Å
519	V	95.1	Very high	93	Very high	26 Å²	26	39.2 Å²	39.2	16%	0.158	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	120.4	177.7	-174.1	0	0	0	0	109.9	V494 R517 V540 R541 L542 I824	V494-V519 HydrophobicContact CG1-CG2 4.44Å; R517-V519 VanDerWaalsContact C-N 3.28Å; R517-V519 PolarHBondContact O-N 3.07Å; R517-V519 VanDerWaalsContact O-N 3.17Å; V519-V540 HydrophobicContact CG1-CG1 4.45Å; V519-R541 CarbonylContact C-O 3.36Å; V519-R541 WeakPolarHBondContact CA-O 3.29Å; V519-L542 HydrophobicContact CG2-CB 3.98Å; V519-L542 HydrophobicContact CG2-CD2 4.35Å; V519-I824 HydrophobicContact CG2-CD1 4.02Å
520	Q	95.7	Very high	92	Very high	53 Å²	53	37.6 Å²	37.6	25%	0.248	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	155	174.9	-60.3	172.8	45.4	0	0	110.5	D518 V540 R541 F579 Q580	D518-Q520 PolarHBondContact O-N 2.85Å; Q520-V540 WeakPolarHBondContact O-CA 3.48Å; Q520-R541 HydrophobicContact CB-CG 4.07Å; Q520-R541 PolarHBondContact N-O 3.2Å; Q520-R541 PolarHBondContact O-N 3.01Å; Q520-F579 HydrophobicContact CB-CD1 3.9Å; Q520-Q580 PolarHBondContact NE2-O 3.19Å
521	T	96.9	Very high	90.5	Very high	66 Å²	66	44.3 Å²	44.3	41%	0.405	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	142.4	-178.2	66.4	0	0	0	0	111.5	S495 V497 S539 V540	S495-T521 VanDerWaalsContact OG-CG2 3.3Å; S495-T521 WeakPolarHBondContact OG-CG2 3.29Å; V497-T521 HydrophobicContact CB-CG2 4.2Å; T521-S539 WeakPolarHBondContact CA-O 3.25Å; T521-S539 WeakPolarHBondContact CB-O 3.34Å; T521-V540 HydrophobicContact CG2-CG1 4.46Å; T521-V540 HydrophobicContact CG2-CG2 4.02Å
522	D	97.3	Very high	89.6	Confident	48 Å²	48	47.9 Å²	47.9	26%	0.257	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	163.9	175.2	-154.8	-13.2	0	0	0	111.8	V538 S539 Q577 Q578 F579	D522-V538 WeakPolarHBondContact O-CA 3.17Å; D522-S539 PolarHBondContact N-O 2.87Å; D522-S539 VanDerWaalsContact N-O 3.15Å; D522-S539 PolarHBondContact O-N 3.27Å; D522-S539 PolarHBondContact O-OG 3.31Å; D522-Q577 HydrophobicContact CB-CB 4.16Å; D522-Q577 HydrophobicContact CB-CG 4.07Å; D522-Q577 WeakPolarHBondContact OD2-CA 3.43Å; D522-Q578 PolarHBondContact OD2-N 3.26Å; D522-F579 HydrophobicContact CB-CE1 3.98Å; D522-F579 HydrophobicContact CB-CZ 4.43Å
523	C	97	Very high	88.6	Confident	49 Å²	49	47.3 Å²	47.3	33%	0.331	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	148.7	174.3	72.1	0	0	0	0	112.6	M499 G537 V538	M499-C523 HydrophobicContact CB-CB 4.25Å; M499-C523 HydrophobicContact SD-CB 4.22Å; C523-G537 CarbonylContact C-O 3.55Å; C523-G537 WeakPolarHBondContact CA-O 3.47Å; C523-V538 HydrophobicContact CB-CB 4.5Å; C523-V538 HydrophobicContact CB-CG1 3.9Å
524	T	96.9	Very high	88	Confident	8 Å²	8	50 Å²	50	5%	0.049	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	115.3	177.9	-69.7	0	0	0	0	110.4	T526 G536 G537 T572 I573 L576 Q577	T524-T526 HydrophobicContact CG2-CG2 4.43Å; T524-G536 WeakPolarHBondContact O-CA 3.4Å; T524-G537 PolarHBondContact N-O 2.74Å; T524-G537 PolarHBondContact O-N 3.35Å; T524-T572 HydrophobicContact CG2-CG2 4.24Å; T524-I573 HydrophobicContact CG2-CG1 3.99Å; T524-L576 HydrophobicContact CG2-CB 4.25Å; T524-L576 HydrophobicContact CG2-CD1 3.89Å; T524-Q577 VanDerWaalsContact N-NE2 3.15Å; T524-Q577 WeakPolarHBondContact OG1-CG 3.22Å; T524-Q577 PolarHBondContact OG1-NE2 3.49Å
525	R	95.6	Very high	88	Confident	123 Å²	123	50.9 Å²	50.9	46%	0.464	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	129.3	177.6	-58.7	-178	-167.2	-179.2	5.4	110.8	M499 Y531 R917	M499-R525 HydrophobicContact CG-CG 4.03Å; M499-R525 HydrophobicContact SD-CB 4.27Å; M499-R525 HydrophobicContact SD-CG 3.55Å; M499-R525 VanDerWaalsContact SD-CG 3.55Å; R525-Y531 VanDerWaalsContact CD-O 3.31Å; R525-Y531 WeakPolarHBondContact CD-O 2.99Å; R525-Y531 PolarHBondContact NH1-O 3.1Å; R525-Y531 VanDerWaalsContact NH1-O 3.07Å; R525-R917 PolarHBondContact O-NH1 3.3Å; R525-R917 PolarHBondContact O-NH2 2.92Å
526	T	93.3	Very high	88.1	Confident	10 Å²	10	49.2 Å²	49.2	6%	0.061	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	-14.7	173.6	67.2	0	0	0	0	113	T524 L528 G529 G530 K535 G536 N569 T572 I573	T524-T526 HydrophobicContact CG2-CG2 4.43Å; T526-L528 PolarHBondContact O-N 3.29Å; T526-G529 CarbonylContact O-C 3.55Å; T526-G529 WeakPolarHBondContact O-CA 3.11Å; T526-G529 PolarHBondContact O-N 2.72Å; T526-G530 PolarHBondContact O-N 2.72Å; T526-K535 PolarHBondContact N-O 2.97Å; T526-K535 VanDerWaalsContact OG1-C 3.28Å; T526-K535 PolarHBondContact OG1-O 2.87Å; T526-G536 WeakPolarHBondContact OG1-CA 3.25Å; T526-G536 PolarHBondContact OG1-N 3Å; T526-N569 WeakPolarHBondContact CB-OD1 3.44Å; T526-N569 HydrophobicContact CG2-CB 4.24Å; T526-N569 PolarHBondContact OG1-OD1 3.07Å; T526-T572 HydrophobicContact CG2-CG2 4.42Å; T526-I573 HydrophobicContact CG2-CG1 4.4Å
527	G	82.9	Confident	88.2	Confident	4 Å²	4	49.2 Å²	49.2	4%	0.041	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	125.8	179.3	0	0	0	0	0	113.5	G530 W532 K535	G527-G530 CarbonylContact O-C 3.58Å; G527-G530 WeakPolarHBondContact O-CA 3.3Å; G527-W532 PolarHBondContact N-O 3.27Å; G527-W532 WeakPolarHBondContact O-CB 3.37Å; G527-W532 PolarHBondContact O-N 3.17Å; G527-K535 PolarHBondContact N-O 3.31Å; G527-K535 VanDerWaalsContact N-O 3.14Å
528	L	80.6	Confident	88.5	Confident	133 Å²	133	47.3 Å²	47.3	70%	0.696	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	30.6	-169.7	-55.9	178.3	0	0	0	114.5	T526 G530 W532	T526-L528 PolarHBondContact O-N 3.29Å; L528-G530 WeakPolarHBondContact O-CA 3.37Å; L528-W532 HydrophobicContact CB-CB 4.47Å; L528-W532 HydrophobicContact CD1-CB 4.1Å; L528-W532 HydrophobicContact CD1-CG 4.31Å; L528-W532 HydrophobicContact CG-CB 4.25Å
529	G	69.6	Low	88.8	Confident	32 Å²	32	44.7 Å²	44.7	33%	0.33	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	-21.7	-173.8	0	0	0	0	0	114	T526 R917 V918	T526-G529 CarbonylContact O-C 3.55Å; T526-G529 WeakPolarHBondContact O-CA 3.11Å; T526-G529 PolarHBondContact O-N 2.72Å; G529-R917 PolarHBondContact O-NH1 2.72Å; G529-V918 WeakPolarHBondContact O-CB 3.31Å
530	G	75.4	Confident	89	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn		-150.7	-176.6	-55.7	0	0	0	0	0	112.4	T526 G527 L528 W532 R917	T526-G530 PolarHBondContact O-N 2.72Å; G527-G530 CarbonylContact O-C 3.58Å; G527-G530 WeakPolarHBondContact O-CA 3.3Å; L528-G530 WeakPolarHBondContact O-CA 3.37Å; G530-W532 VanDerWaalsContact C-N 3.26Å; G530-R917 WeakPolarHBondContact O-CD 3.46Å; G530-R917 PolarHBondContact O-NE 3.27Å; G530-R917 PolarHBondContact O-NH1 3.42Å; G530-R917 VanDerWaalsContact O-NH1 3.16Å
531	Y	65.8	Low	89	Confident	157 Å²	157	41 Å²	41	62%	0.616	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-12.9	177.2	-72.5	-111.9	0	0	0	111.8	R525 R917	R525-Y531 VanDerWaalsContact CD-O 3.31Å; R525-Y531 WeakPolarHBondContact CD-O 2.99Å; R525-Y531 PolarHBondContact NH1-O 3.1Å; R525-Y531 VanDerWaalsContact NH1-O 3.07Å; Y531-R917 HydrophobicContact CD2-CB 4.24Å; Y531-R917 HydrophobicContact CD2-CG 4.47Å; Y531-R917 HydrophobicContact CE2-CB 3.96Å; Y531-R917 HydrophobicContact CE2-CG 4.13Å
532	W	74.6	Confident	89	Confident	141 Å²	141	37.8 Å²	37.8	53%	0.534	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	138	-168	-146.1	-113	0	0	0	111.5	G527 L528 G530	G527-W532 PolarHBondContact N-O 3.27Å; G527-W532 WeakPolarHBondContact O-CB 3.37Å; G527-W532 PolarHBondContact O-N 3.17Å; L528-W532 HydrophobicContact CB-CB 4.47Å; L528-W532 HydrophobicContact CD1-CB 4.1Å; L528-W532 HydrophobicContact CD1-CG 4.31Å; L528-W532 HydrophobicContact CG-CB 4.25Å; G530-W532 VanDerWaalsContact C-N 3.26Å
533	G	75.8	Confident	88.9	Confident	3 Å²	3	36 Å²	36	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	3.1	-171.6	0	0	0	0	0	115.1	Q500 K535	Q500-G533 VanDerWaalsContact OE1-CA 3.32Å; G533-K535 PolarHBondContact O-N 2.94Å
534	N	85.8	Confident	88.8	Confident	62 Å²	62	33.7 Å²	33.7	33%	0.332	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-6.1	-174.9	79.2	-39.7	0	0	0	114.9	Q500	Q500-N534 VanDerWaalsContact OE1-N 3.08Å
535	K	94.8	Very high	88.6	Confident	24 Å²	24	33.4 Å²	33.4	10%	0.104	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	146.6	174.6	-61	-67.6	170.4	-96.8	0	109.3	E460 T526 G527 G533 H555 L556	E460-K535 IonicContact OE1-NZ 3.68Å; E460-K535 PolarHBondContact OE1-NZ 3.48Å; T526-K535 PolarHBondContact N-O 2.97Å; T526-K535 VanDerWaalsContact OG1-C 3.28Å; T526-K535 PolarHBondContact OG1-O 2.87Å; G527-K535 PolarHBondContact N-O 3.31Å; G527-K535 VanDerWaalsContact N-O 3.14Å; G533-K535 PolarHBondContact O-N 2.94Å; K535-H555 CarbonylContact C-O 3.59Å; K535-H555 VanDerWaalsContact CA-O 3.23Å; K535-H555 WeakPolarHBondContact CA-O 3.18Å; K535-H555 WeakPolarHBondContact CB-O 3.29Å; K535-H555 HydrophobicContact CD-CB 4.44Å; K535-H555 VanDerWaalsContact CD-CD2 3.43Å; K535-H555 WeakPolarHBondContact CD-CD2 3.49Å; K535-H555 WeakPolarHBondContact CD-O 3.45Å; K535-H555 VanDerWaalsContact CE-CD2 3.47Å; K535-H555 WeakPolarHBondContact CE-CD2 3.4Å; K535-H555 VanDerWaalsContact CE-NE2 3.26Å; K535-H555 WeakPolarHBondContact CE-NE2 3.24Å; K535-H555 PolarHBondContact NZ-CD2 2.82Å; K535-H555 PolarHBondContact NZ-CE1 3.3Å; K535-H555 PolarHBondContact NZ-ND1 3.03Å; K535-H555 PolarHBondContact NZ-NE2 3.19Å; K535-L556 WeakPolarHBondContact CD-O 3.02Å
536	G	97	Very high	88.4	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.2	-147.1	-174.9	0	0	0	0	0	111.5	T524 T526 C554 H555 I573	T524-G536 WeakPolarHBondContact O-CA 3.4Å; T526-G536 WeakPolarHBondContact OG1-CA 3.25Å; T526-G536 PolarHBondContact OG1-N 3Å; G536-C554 WeakPolarHBondContact O-CA 3.19Å; G536-H555 PolarHBondContact N-O 2.78Å; G536-H555 PolarHBondContact O-N 2.87Å; G536-I573 VanDerWaalsContact C-CD1 3.46Å
537	G	98	Very high	88.3	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	156.6	176.5	0	0	0	0	0	113.9	C523 T524 N553 Q577	C523-G537 CarbonylContact C-O 3.55Å; C523-G537 WeakPolarHBondContact CA-O 3.47Å; T524-G537 PolarHBondContact N-O 2.74Å; T524-G537 PolarHBondContact O-N 3.35Å; G537-N553 CarbonylContact C-O 3.55Å; G537-N553 VanDerWaalsContact CA-O 3.28Å; G537-N553 WeakPolarHBondContact CA-O 3.41Å; G537-Q577 PolarHBondContact O-NE2 2.96Å; G537-Q577 VanDerWaalsContact O-NE2 3.08Å
538	V	98.4	Very high	88.9	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143.9	174.5	-57.3	0	0	0	0	109.4	V497 M499 V502 L504 D522 C523 N553	V497-V538 HydrophobicContact CG1-CB 3.86Å; V497-V538 HydrophobicContact CG1-CG2 4.02Å; V497-V538 HydrophobicContact CG2-CB 4.15Å; M499-V538 HydrophobicContact CB-CG1 3.33Å; M499-V538 HydrophobicContact CE-CG1 4.16Å; M499-V538 HydrophobicContact CG-CG1 4.45Å; M499-V538 HydrophobicContact SD-CG1 4.47Å; V502-V538 HydrophobicContact CB-CG1 4.41Å; V502-V538 HydrophobicContact CG1-CG1 4.25Å; V502-V538 HydrophobicContact CG1-CG2 3.91Å; L504-V538 HydrophobicContact CB-CG2 3.7Å; D522-V538 WeakPolarHBondContact O-CA 3.17Å; C523-V538 HydrophobicContact CB-CB 4.5Å; C523-V538 HydrophobicContact CB-CG1 3.9Å; V538-N553 HydrophobicContact CG2-CB 4.01Å; V538-N553 PolarHBondContact N-O 3.38Å; V538-N553 PolarHBondContact O-N 3.48Å
539	S	98.7	Very high	89.7	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	151	-175.2	58.5	0	0	0	0	113.9	T521 D522 F551 Q577 F579	T521-S539 WeakPolarHBondContact CA-O 3.25Å; T521-S539 WeakPolarHBondContact CB-O 3.34Å; D522-S539 PolarHBondContact N-O 2.87Å; D522-S539 VanDerWaalsContact N-O 3.15Å; D522-S539 PolarHBondContact O-N 3.27Å; D522-S539 PolarHBondContact O-OG 3.31Å; S539-F551 CarbonylContact C-O 3.31Å; S539-F551 WeakPolarHBondContact CA-O 3.31Å; S539-F551 WeakPolarHBondContact CB-O 3.3Å; S539-Q577 VanDerWaalsContact CB-OE1 3.29Å; S539-Q577 PolarHBondContact OG-OE1 3.34Å; S539-F579 WeakPolarHBondContact OG-CZ 3.37Å
540	V	98.4	Very high	91.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.3	166.3	-178.1	0	0	0	0	107	V497 L504 L506 V519 Q520 T521 F551	V497-V540 HydrophobicContact CG1-CG2 3.8Å; L504-V540 HydrophobicContact CD2-CB 4.17Å; L504-V540 HydrophobicContact CD2-CG2 3.8Å; L504-V540 HydrophobicContact CG-CG2 3.91Å; L506-V540 HydrophobicContact CB-CG1 4.47Å; L506-V540 HydrophobicContact CD2-CB 4.36Å; L506-V540 HydrophobicContact CD2-CG1 3.67Å; V519-V540 HydrophobicContact CG1-CG1 4.45Å; Q520-V540 WeakPolarHBondContact O-CA 3.48Å; T521-V540 HydrophobicContact CG2-CG1 4.46Å; T521-V540 HydrophobicContact CG2-CG2 4.02Å; V540-F551 PolarHBondContact N-O 2.95Å; V540-F551 PolarHBondContact O-N 2.69Å
541	R	96.8	Very high	92.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	148.4	168.7	68.3	85.9	91.2	176.3	5.8	110.6	D518 V519 Q520 M548 L549 C550 F579 P582 A584 H590	D518-R541 VanDerWaalsContact CB-NH1 3.3Å; D518-R541 WeakPolarHBondContact O-CD 3.21Å; D518-R541 PolarHBondContact O-NH1 3.27Å; V519-R541 CarbonylContact C-O 3.36Å; V519-R541 WeakPolarHBondContact CA-O 3.29Å; Q520-R541 HydrophobicContact CB-CG 4.07Å; Q520-R541 PolarHBondContact N-O 3.2Å; Q520-R541 PolarHBondContact O-N 3.01Å; R541-M548 VanDerWaalsContact NE-CE 3.31Å; R541-L549 VanDerWaalsContact CA-O 3.22Å; R541-L549 WeakPolarHBondContact CA-O 3.31Å; R541-L549 WeakPolarHBondContact CB-O 3.39Å; R541-C550 HydrophobicContact CB-CB 4.19Å; R541-F579 HydrophobicContact CB-CE1 4.33Å; R541-F579 HydrophobicContact CB-CE2 4.37Å; R541-F579 HydrophobicContact CB-CZ 4.21Å; R541-F579 HydrophobicContact CG-CB 4.29Å; R541-F579 HydrophobicContact CG-CD1 3.44Å; R541-F579 VanDerWaalsContact CG-CD1 3.44Å; R541-F579 HydrophobicContact CG-CD2 3.95Å; R541-F579 HydrophobicContact CG-CE1 3.57Å; R541-F579 HydrophobicContact CG-CE2 4.07Å; R541-F579 HydrophobicContact CG-CG 3.62Å; R541-F579 HydrophobicContact CG-CZ 3.88Å; R541-P582 PolarHBondContact NH2-O 2.88Å; R541-A584 PolarHBondContact NH2-O 3.17Å; R541-H590 WeakPolarHBondContact CB-NE2 3.06Å; R541-H590 PolarHBondContact NE-NE2 2.76Å
542	L	96.8	Very high	93.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	160	171.9	56.6	73.4	0	0	0	110.6	M453 V494 L506 L516 R517 V519 A544 M548 L549	M453-L542 HydrophobicContact CE-CD1 4.32Å; M453-L542 HydrophobicContact CE-CD2 4.17Å; V494-L542 HydrophobicContact CG1-CD2 4.42Å; L506-L542 HydrophobicContact CD2-CD2 3.61Å; L506-L542 HydrophobicContact CD2-CG 4.35Å; L516-L542 HydrophobicContact CB-CD2 4.49Å; L516-L542 HydrophobicContact CD1-CD2 4.23Å; L516-L542 HydrophobicContact CD2-CD1 4.11Å; R517-L542 CarbonylContact O-C 3.46Å; R517-L542 WeakPolarHBondContact O-CA 3.42Å; R517-L542 WeakPolarHBondContact O-CB 3.27Å; V519-L542 HydrophobicContact CG2-CB 3.98Å; V519-L542 HydrophobicContact CG2-CD2 4.35Å; L542-A544 HydrophobicContact CD1-CB 3.8Å; L542-M548 VanDerWaalsContact C-CE 3.45Å; L542-M548 VanDerWaalsContact O-CE 3.28Å; L542-M548 WeakPolarHBondContact O-CE 3.11Å; L542-L549 HydrophobicContact CD1-CB 4.37Å; L542-L549 HydrophobicContact CD1-CD1 4.22Å; L542-L549 HydrophobicContact CD1-CG 4.42Å; L542-L549 PolarHBondContact N-O 2.86Å; L542-L549 PolarHBondContact O-N 3.04Å
543	A	94.2	Very high	95	Very high	11 Å²	11	7.2 Å²	7.2	9%	0.091	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	125.6	162.4	0	0	0	0	0	108.5	L516 R517 H547 M548	L516-A543 CarbonylContact C-O 3.57Å; L516-A543 WeakPolarHBondContact CA-O 3.16Å; R517-A543 HydrophobicContact CB-CB 4.36Å; R517-A543 PolarHBondContact N-O 3.36Å; R517-A543 PolarHBondContact O-N 3.46Å; A543-H547 CarbonylContact C-O 3.37Å; A543-H547 WeakPolarHBondContact CA-O 3.34Å; A543-M548 HydrophobicContact CB-SD 3.76Å
544	A	95.1	Very high	96.1	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.1	170.1	0	0	0	0	0	108.6	L516 L542 G546 H547 L549 F727	L516-A544 HydrophobicContact CD2-CB 3.75Å; L542-A544 HydrophobicContact CD1-CB 3.8Å; A544-G546 PolarHBondContact O-N 3.11Å; A544-H547 PolarHBondContact N-O 2.78Å; A544-H547 PolarHBondContact O-N 3.11Å; A544-L549 HydrophobicContact CB-CD1 3.67Å; A544-L549 HydrophobicContact CB-CG 4.15Å; A544-F727 HydrophobicContact CB-CZ 4.45Å
545	F	93.4	Very high	96.7	Very high	1 Å²	1	4.3 Å²	4.3	0%	0.004	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	30.7	-178.5	-51	-86.3	0	0	0	113.4	F418 H512 F515 H547 F727 R730 D731 D732	F418-F545 AromaticContact CD2-CE2 3.67Å; F418-F545 HydrophobicContact CD2-CE2 3.67Å; F418-F545 HydrophobicContact CD2-CZ 4.24Å; F418-F545 AromaticContact CE2-CE2 3.57Å; F418-F545 HydrophobicContact CE2-CE2 3.57Å; F418-F545 HydrophobicContact CE2-CZ 4.12Å; F418-F545 HydrophobicContact CG-CE2 4.33Å; F418-F545 HydrophobicContact CZ-CE2 4.17Å; H512-F545 AromaticContact ND1-CZ 3.63Å; F515-F545 HydrophobicContact CB-CD1 3.6Å; F515-F545 HydrophobicContact CB-CE1 3.45Å; F515-F545 VanDerWaalsContact CB-CE1 3.45Å; F515-F545 HydrophobicContact CB-CG 4.28Å; F515-F545 HydrophobicContact CB-CZ 4Å; F515-F545 HydrophobicContact CD2-CD1 4.35Å; F515-F545 AromaticContact CD2-CE1 3.48Å; F515-F545 HydrophobicContact CD2-CE1 3.48Å; F515-F545 VanDerWaalsContact CD2-CE1 3.48Å; F515-F545 HydrophobicContact CD2-CZ 4.01Å; F515-F545 HydrophobicContact CE2-CE1 4.41Å; F515-F545 HydrophobicContact CG-CD1 4.01Å; F515-F545 AromaticContact CG-CE1 3.58Å; F515-F545 HydrophobicContact CG-CE1 3.58Å; F515-F545 HydrophobicContact CG-CZ 4.35Å; F515-F545 PolarHBondContact O-N 2.96Å; F545-H547 PolarHBondContact O-CD2 2.86Å; F545-F727 HydrophobicContact CB-CD2 4.36Å; F545-F727 HydrophobicContact CB-CE2 4.23Å; F545-F727 HydrophobicContact CB-CZ 4.47Å; F545-F727 HydrophobicContact CD2-CD2 4.29Å; F545-F727 HydrophobicContact CD2-CE1 4.48Å; F545-F727 AromaticContact CD2-CE2 3.4Å; F545-F727 HydrophobicContact CD2-CE2 3.4Å; F545-F727 VanDerWaalsContact CD2-CE2 3.4Å; F545-F727 AromaticContact CD2-CZ 3.54Å; F545-F727 HydrophobicContact CD2-CZ 3.54Å; F545-F727 HydrophobicContact CE2-CE2 4.05Å; F545-F727 HydrophobicContact CE2-CZ 4.26Å; F545-F727 HydrophobicContact CG-CD2 4.48Å; F545-F727 HydrophobicContact CG-CE2 4.01Å; F545-F727 HydrophobicContact CG-CZ 4.38Å; F545-R730 HydrophobicContact CB-CB 4.43Å; F545-D731 WeakPolarHBondContact O-CB 3.35Å; F545-D731 PolarHBondContact O-N 2.68Å; F545-D732 WeakPolarHBondContact CD1-OD1 3.46Å; F545-D732 WeakPolarHBondContact CE1-OD1 3.38Å
546	G	90.3	Very high	96.8	Very high	31 Å²	31	3.1 Å²	3.1	32%	0.32	3%	0.025	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.2	-0.2	-177.9	0	0	0	0	0	116.6	A544	A544-G546 PolarHBondContact O-N 3.11Å
547	H	92.8	Very high	96.8	Very high	9 Å²	9	3.7 Å²	3.7	4%	0.042	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	131.6	178.2	-62	-87.6	0	0	0	111.2	A543 A544 F545 L549 F727 F729	A543-H547 CarbonylContact C-O 3.37Å; A543-H547 WeakPolarHBondContact CA-O 3.34Å; A544-H547 PolarHBondContact N-O 2.78Å; A544-H547 PolarHBondContact O-N 3.11Å; F545-H547 PolarHBondContact O-CD2 2.86Å; H547-L549 PolarHBondContact O-N 3.13Å; H547-F727 HydrophobicContact CB-CD1 4.08Å; H547-F727 HydrophobicContact CB-CE1 4.24Å; H547-F727 AromaticContact CD2-CD1 3.34Å; H547-F727 WeakPolarHBondContact CD2-CD1 3.48Å; H547-F727 AromaticContact CD2-CG 3.89Å; H547-F727 AromaticContact CG-CD1 3.67Å; H547-F729 AromaticContact CE1-CD1 3.61Å; H547-F729 AromaticContact CE1-CE1 3.29Å; H547-F729 WeakPolarHBondContact CE1-CE1 3.42Å; H547-F729 AromaticContact CE1-CZ 3.65Å; H547-F729 AromaticContact NE2-CD1 3.73Å; H547-F729 AromaticContact NE2-CD2 3.89Å; H547-F729 AromaticContact NE2-CE1 3.58Å; H547-F729 AromaticContact NE2-CE2 3.73Å; H547-F729 AromaticContact NE2-CG 3.88Å; H547-F729 AromaticContact NE2-CZ 3.56Å; H547-F729 PolarHBondContact NE2-O 3.42Å
548	M	95.3	Very high	96.6	Very high	11 Å²	11	5.2 Å²	5.2	5%	0.054	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	114.2	-179.2	-75.3	-54.4	-37	0	0	111.7	R541 L542 A543 A584 H590 D591 L592	R541-M548 VanDerWaalsContact NE-CE 3.31Å; L542-M548 VanDerWaalsContact C-CE 3.45Å; L542-M548 VanDerWaalsContact O-CE 3.28Å; L542-M548 WeakPolarHBondContact O-CE 3.11Å; A543-M548 HydrophobicContact CB-SD 3.76Å; M548-A584 HydrophobicContact CB-CB 4.34Å; M548-A584 HydrophobicContact CG-CB 4.31Å; M548-H590 HydrophobicContact CB-CB 4.33Å; M548-D591 WeakPolarHBondContact CB-OD2 3.38Å; M548-D591 PolarHBondContact N-OD2 2.84Å; M548-D591 PolarHBondContact O-N 3.04Å; M548-L592 PolarHBondContact O-N 3.41Å; M548-L592 VanDerWaalsContact O-N 3.1Å
549	L	97.8	Very high	96.4	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	142.1	174.7	-47.6	-173.3	0	0	0	110.2	I420 R541 L542 A544 H547 F551 L592 L698 L725	I420-L549 HydrophobicContact CD1-CD1 4.11Å; R541-L549 VanDerWaalsContact CA-O 3.22Å; R541-L549 WeakPolarHBondContact CA-O 3.31Å; R541-L549 WeakPolarHBondContact CB-O 3.39Å; L542-L549 HydrophobicContact CD1-CB 4.37Å; L542-L549 HydrophobicContact CD1-CD1 4.22Å; L542-L549 HydrophobicContact CD1-CG 4.42Å; L542-L549 PolarHBondContact N-O 2.86Å; L542-L549 PolarHBondContact O-N 3.04Å; A544-L549 HydrophobicContact CB-CD1 3.67Å; A544-L549 HydrophobicContact CB-CG 4.15Å; H547-L549 PolarHBondContact O-N 3.13Å; L549-F551 HydrophobicContact CB-CE2 4.17Å; L549-F551 HydrophobicContact CD1-CE2 4.46Å; L549-F551 HydrophobicContact CD1-CZ 4.49Å; L549-L592 CarbonylContact C-O 3.54Å; L549-L592 WeakPolarHBondContact CA-O 3.16Å; L549-L592 HydrophobicContact CD2-CB 3.86Å; L549-L592 HydrophobicContact CD2-CD2 4.23Å; L549-L698 HydrophobicContact CD2-CD2 4.49Å; L549-L725 HydrophobicContact CD1-CD2 4.44Å; L549-L725 HydrophobicContact CD2-CD2 4.22Å
550	C	98.5	Very high	96.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	128.7	168.9	-176.8	0	0	0	0	110.6	R541 H590 L592 V593 F594	R541-C550 HydrophobicContact CB-CB 4.19Å; C550-H590 HydrophobicContact CB-CB 3.92Å; C550-L592 PolarHBondContact N-O 3.03Å; C550-V593 HydrophobicContact CB-CG2 4.48Å; C550-V593 CarbonylContact O-C 3.58Å; C550-V593 WeakPolarHBondContact O-CA 3.07Å; C550-F594 PolarHBondContact O-N 3.04Å
551	F	98.9	Very high	96	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.2	174.8	-61.4	-90.7	0	0	0	108.3	I420 V422 M453 A455 L504 L506 S539 V540 L549 F594 F596	I420-F551 HydrophobicContact CD1-CZ 4.26Å; I420-F551 HydrophobicContact CG2-CE1 3.97Å; I420-F551 HydrophobicContact CG2-CZ 4.24Å; V422-F551 HydrophobicContact CG2-CE1 4.46Å; M453-F551 HydrophobicContact SD-CE2 3.99Å; M453-F551 HydrophobicContact SD-CZ 3.69Å; A455-F551 HydrophobicContact CB-CD1 3.47Å; A455-F551 VanDerWaalsContact CB-CD1 3.47Å; A455-F551 HydrophobicContact CB-CE1 3.67Å; A455-F551 HydrophobicContact CB-CG 4.21Å; L504-F551 HydrophobicContact CD2-CB 3.87Å; L504-F551 VanDerWaalsContact CD2-O 3.27Å; L504-F551 WeakPolarHBondContact CD2-O 3.35Å; L506-F551 HydrophobicContact CD1-CD2 4.08Å; L506-F551 HydrophobicContact CD1-CE1 4.35Å; L506-F551 HydrophobicContact CD1-CE2 3.85Å; L506-F551 HydrophobicContact CD1-CG 4.43Å; L506-F551 HydrophobicContact CD1-CZ 3.99Å; L506-F551 HydrophobicContact CD2-CD2 3.99Å; L506-F551 HydrophobicContact CD2-CE2 3.94Å; S539-F551 CarbonylContact C-O 3.31Å; S539-F551 WeakPolarHBondContact CA-O 3.31Å; S539-F551 WeakPolarHBondContact CB-O 3.3Å; V540-F551 PolarHBondContact N-O 2.95Å; V540-F551 PolarHBondContact O-N 2.69Å; L549-F551 HydrophobicContact CB-CE2 4.17Å; L549-F551 HydrophobicContact CD1-CE2 4.46Å; L549-F551 HydrophobicContact CD1-CZ 4.49Å; F551-F594 HydrophobicContact CD1-CB 4.06Å; F551-F594 AromaticContact CD1-CD2 3.59Å; F551-F594 HydrophobicContact CD1-CD2 3.59Å; F551-F594 HydrophobicContact CD1-CE2 4.4Å; F551-F594 HydrophobicContact CD1-CG 4.14Å; F551-F594 AromaticContact CE1-CD2 3.33Å; F551-F594 HydrophobicContact CE1-CD2 3.33Å; F551-F594 AromaticContact CE1-CE2 3.69Å; F551-F594 HydrophobicContact CE1-CE2 3.69Å; F551-F594 HydrophobicContact CE1-CG 4.2Å; F551-F594 HydrophobicContact CG-CD2 4.49Å; F551-F594 HydrophobicContact CZ-CD2 4.05Å; F551-F594 HydrophobicContact CZ-CE2 4.16Å; F551-F596 HydrophobicContact CB-CE1 3.97Å; F551-F596 HydrophobicContact CB-CZ 4.17Å; F551-F596 HydrophobicContact CD1-CE1 4.22Å; F551-F596 HydrophobicContact CD1-CZ 4.48Å
552	L	98.9	Very high	95.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	107.5	-179.7	175.7	67.9	0	0	0	110.2	F570 I573 L574 I587 F594 W595 F596	L552-F570 HydrophobicContact CD2-CD2 4.38Å; L552-F570 HydrophobicContact CD2-CE2 3.73Å; L552-I573 HydrophobicContact CD1-CG2 3.84Å; L552-I573 HydrophobicContact CD2-CG2 4.17Å; L552-L574 HydrophobicContact CD2-CD2 4.47Å; L552-I587 HydrophobicContact CD1-CD1 4.14Å; L552-I587 HydrophobicContact CD2-CD1 4.18Å; L552-I587 HydrophobicContact CD2-CG2 4.48Å; L552-F594 PolarHBondContact N-O 2.97Å; L552-W595 HydrophobicContact CD2-CG 4.32Å; L552-F596 WeakPolarHBondContact O-CD1 3.39Å; L552-F596 PolarHBondContact O-N 2.98Å
553	N	98.9	Very high	95.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.6	169.3	175.2	19.7	0	0	0	110	G457 L458 Q459 V502 I503 L504 G537 V538 F596	G457-N553 VanDerWaalsContact CA-ND2 3.28Å; G457-N553 WeakPolarHBondContact CA-ND2 3.41Å; L458-N553 PolarHBondContact N-ND2 2.73Å; L458-N553 PolarHBondContact O-ND2 3.42Å; Q459-N553 PolarHBondContact NE2-OD1 2.95Å; V502-N553 WeakPolarHBondContact CG1-ND2 3.23Å; I503-N553 PolarHBondContact O-ND2 2.84Å; L504-N553 HydrophobicContact CB-CB 4.12Å; L504-N553 HydrophobicContact CD2-CB 4.45Å; G537-N553 CarbonylContact C-O 3.55Å; G537-N553 VanDerWaalsContact CA-O 3.28Å; G537-N553 WeakPolarHBondContact CA-O 3.41Å; V538-N553 HydrophobicContact CG2-CB 4.01Å; V538-N553 PolarHBondContact N-O 3.38Å; V538-N553 PolarHBondContact O-N 3.48Å; N553-F596 CarbonylContact C-O 3.58Å; N553-F596 WeakPolarHBondContact CA-O 3.31Å; N553-F596 HydrophobicContact CB-CD2 4.42Å; N553-F596 HydrophobicContact CB-CE2 4.12Å; N553-F596 HydrophobicContact CB-CZ 4.48Å
554	C	98.7	Very high	96	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	148.3	177.2	-74.3	0	0	0	0	113.1	G536 L556 F596 G597 D598 L599	G536-C554 WeakPolarHBondContact O-CA 3.19Å; C554-L556 HydrophobicContact CB-CD2 3.91Å; C554-L556 HydrophobicContact CB-CG 4.03Å; C554-F596 PolarHBondContact N-O 3.47Å; C554-G597 VanDerWaalsContact O-CA 3.31Å; C554-G597 WeakPolarHBondContact O-CA 3.37Å; C554-D598 PolarHBondContact O-N 2.86Å; C554-D598 VanDerWaalsContact O-N 3.15Å; C554-L599 HydrophobicContact CB-CD2 3.76Å
555	H	98.6	Very high	96.1	Very high	3 Å²	3	30.7 Å²	30.7	1%	0.014	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	102.2	157.6	-168.6	157.5	0	0	0	108.4	N426 Q459 E460 V502 K535 G536 D598 N600	N426-H555 PolarHBondContact ND2-CE1 3.08Å; Q459-H555 HydrophobicContact CB-CB 4.21Å; Q459-H555 WeakPolarHBondContact CB-ND1 3.37Å; Q459-H555 HydrophobicContact CG-CB 3.95Å; E460-H555 WeakPolarHBondContact CG-CE1 3.44Å; E460-H555 IonicContact OE1-CE1 2.72Å; E460-H555 PolarHBondContact OE1-CE1 2.73Å; E460-H555 IonicContact OE1-ND1 3.74Å; E460-H555 IonicContact OE1-NE2 3.85Å; V502-H555 HydrophobicContact CG2-CB 3.69Å; K535-H555 CarbonylContact C-O 3.59Å; K535-H555 VanDerWaalsContact CA-O 3.23Å; K535-H555 WeakPolarHBondContact CA-O 3.18Å; K535-H555 WeakPolarHBondContact CB-O 3.29Å; K535-H555 HydrophobicContact CD-CB 4.44Å; K535-H555 VanDerWaalsContact CD-CD2 3.43Å; K535-H555 WeakPolarHBondContact CD-CD2 3.49Å; K535-H555 WeakPolarHBondContact CD-O 3.45Å; K535-H555 VanDerWaalsContact CE-CD2 3.47Å; K535-H555 WeakPolarHBondContact CE-CD2 3.4Å; K535-H555 VanDerWaalsContact CE-NE2 3.26Å; K535-H555 WeakPolarHBondContact CE-NE2 3.24Å; K535-H555 PolarHBondContact NZ-CD2 2.82Å; K535-H555 PolarHBondContact NZ-CE1 3.3Å; K535-H555 PolarHBondContact NZ-ND1 3.03Å; K535-H555 PolarHBondContact NZ-NE2 3.19Å; G536-H555 PolarHBondContact N-O 2.78Å; G536-H555 PolarHBondContact O-N 2.87Å; H555-D598 WeakPolarHBondContact CA-O 3.36Å; H555-D598 IonicContact CD2-OD2 3.41Å; H555-D598 IonicContact CE1-OD2 2.77Å; H555-D598 IonicContact NE2-OD2 3.72Å; H555-D598 PolarHBondContact NE2-OD2 2.74Å; H555-N600 PolarHBondContact NE2-ND2 2.85Å
556	L	98.2	Very high	96.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.			trans	-92.2	162.5	-174.7	-56.2	-175.6	0	0	0	113	K535 C554 A558 R566 N569 I573 W595 D598 L599 N600 F601	K535-L556 WeakPolarHBondContact CD-O 3.02Å; C554-L556 HydrophobicContact CB-CD2 3.91Å; C554-L556 HydrophobicContact CB-CG 4.03Å; L556-A558 PolarHBondContact O-N 3.26Å; L556-R566 HydrophobicContact CB-CB 4.37Å; L556-R566 HydrophobicContact CB-CG 3.94Å; L556-R566 HydrophobicContact CD1-CB 4.3Å; L556-N569 HydrophobicContact CD2-CB 4.23Å; L556-I573 HydrophobicContact CD2-CD1 4.01Å; L556-W595 HydrophobicContact CD1-CZ2 4.08Å; L556-D598 PolarHBondContact N-O 3.12Å; L556-L599 HydrophobicContact CD1-CB 4.26Å; L556-L599 HydrophobicContact CD1-CD2 4.11Å; L556-L599 HydrophobicContact CG-CD2 4.38Å; L556-N600 WeakPolarHBondContact O-CB 3.31Å; L556-N600 PolarHBondContact O-ND2 2.89Å; L556-F601 HydrophobicContact CD1-CE2 4.32Å
557	P	96.8	Very high	96.6	Very high	12 Å²	12	30.4 Å²	30.4	8%	0.078	15%	0.154	C	C	.	.			trans	-53.2	127.2	-178.9	-30.2	37	0	0	0	113.8	K562 Q565 R566 N569	P557-K562 HydrophobicContact CB-CB 4.17Å; P557-Q565 HydrophobicContact CB-CG 4.41Å; P557-Q565 HydrophobicContact CG-CB 4.48Å; P557-Q565 HydrophobicContact CG-CG 4.06Å; P557-R566 HydrophobicContact CB-CG 4.47Å; P557-R566 WeakPolarHBondContact O-CG 3.33Å; P557-R566 PolarHBondContact O-NH1 3.03Å; P557-N569 VanDerWaalsContact CD-OD1 3.32Å; P557-N569 WeakPolarHBondContact CD-OD1 3.38Å; P557-N569 HydrophobicContact CG-CB 4.45Å; P557-N569 WeakPolarHBondContact CG-OD1 3.35Å
558	A	93.9	Very high	96.8	Very high	31 Å²	31	33.2 Å²	33.2	26%	0.256	17%	0.169	S	C	.	.			trans	-77.4	178.2	179.1	0	0	0	0	0	113.1	L556 K562 N600	L556-A558 PolarHBondContact O-N 3.26Å; A558-K562 WeakPolarHBondContact O-CB 3.36Å; A558-K562 WeakPolarHBondContact O-CG 3.28Å; A558-N600 VanDerWaalsContact CA-OD1 3.29Å; A558-N600 WeakPolarHBondContact CA-OD1 3.41Å; A558-N600 VanDerWaalsContact CB-OD1 3.31Å; A558-N600 WeakPolarHBondContact CB-OD1 3.42Å
559	H	92.9	Very high	96.9	Very high	87 Å²	87	33.4 Å²	33.4	40%	0.403	17%	0.17	S	C	.	.	S	Bend	trans	76.7	157.6	-176	-63.5	-131.4	0	0	0	115.4	D561 K562 R566 R669	H559-D561 WeakPolarHBondContact CB-OD1 3.19Å; H559-K562 HydrophobicContact CB-CG 4.49Å; H559-R566 PolarHBondContact O-NH1 2.74Å; H559-R566 PolarHBondContact O-NH2 3.47Å; H559-R566 VanDerWaalsContact O-NH2 3.17Å; H559-R669 PolarHBondContact CE1-NH1 3.06Å; H559-R669 PolarHBondContact CE1-NH2 3.33Å; H559-R669 VanDerWaalsContact CE1-NH2 3.33Å; H559-R669 PolarHBondContact ND1-NH1 2.97Å; H559-R669 PolarHBondContact NE2-NH2 3.24Å
560	M	93.7	Very high	96.9	Very high	66 Å²	66	33.5 Å²	33.5	33%	0.325	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-62.7	-48.5	-171.9	-170.3	66.9	66.8	0	0	112.1	K562 R566 R602 I603 Q628	M560-K562 PolarHBondContact O-N 3.11Å; M560-K562 VanDerWaalsContact O-N 3.16Å; M560-R566 PolarHBondContact O-NH2 3.47Å; M560-R602 HydrophobicContact CE-CB 3.83Å; M560-R602 HydrophobicContact CE-CG 4.48Å; M560-R602 HydrophobicContact SD-CB 3.44Å; M560-R602 WeakPolarHBondContact SD-CB 3.23Å; M560-R602 HydrophobicContact SD-CG 4.21Å; M560-I603 VanDerWaalsContact CE-O 3.24Å; M560-I603 WeakPolarHBondContact CE-O 3.47Å; M560-Q628 PolarHBondContact O-NE2 3.03Å; M560-Q628 VanDerWaalsContact O-NE2 3.16Å
561	D	94.9	Very high	96.8	Very high	105 Å²	105	36.1 Å²	36.1	56%	0.561	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-72.9	-1.6	-172.6	61.1	-60	0	0	0	114.6	H559	H559-D561 WeakPolarHBondContact CB-OD1 3.19Å
562	K	96.6	Very high	96.8	Very high	77 Å²	77	37.5 Å²	37.5	34%	0.335	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-99.2	21.3	-176.3	-57	-46	-173.5	-149	0	114.3	P557 A558 H559 M560 E564 Q565 R566	P557-K562 HydrophobicContact CB-CB 4.17Å; A558-K562 WeakPolarHBondContact O-CB 3.36Å; A558-K562 WeakPolarHBondContact O-CG 3.28Å; H559-K562 HydrophobicContact CB-CG 4.49Å; M560-K562 PolarHBondContact O-N 3.11Å; M560-K562 VanDerWaalsContact O-N 3.16Å; K562-E564 PolarHBondContact O-N 2.36Å; K562-Q565 HydrophobicContact CB-CB 4.19Å; K562-Q565 PolarHBondContact O-N 2.82Å; K562-R566 WeakPolarHBondContact O-CG 3.47Å; K562-R566 PolarHBondContact O-N 3.17Å
563	A	96.1	Very high	96.7	Very high	16 Å²	16	37.5 Å²	37.5	13%	0.132	19%	0.192	C	C	.	.	H	α-helix	trans	-55.2	-50.3	-179.8	0	0	0	0	0	112.9	R566 K567	A563-R566 WeakPolarHBondContact O-CB 3.35Å; A563-R566 PolarHBondContact O-N 3.2Å; A563-K567 PolarHBondContact O-N 3.21Å
564	E	96.1	Very high	96.7	Very high	109 Å²	109	38.4 Å²	38.4	51%	0.509	20%	0.196	S	C	.	.	H	α-helix	trans	-68.2	-38	176.7	-54	-46.3	102.8	0	0	111.7	K562 R566 K567 D568	K562-E564 PolarHBondContact O-N 2.36Å; E564-R566 VanDerWaalsContact C-N 3.25Å; E564-R566 PolarHBondContact O-N 2.78Å; E564-K567 CarbonylContact O-C 3.55Å; E564-K567 WeakPolarHBondContact O-CA 3.34Å; E564-K567 VanDerWaalsContact O-CB 3.24Å; E564-K567 WeakPolarHBondContact O-CB 3.17Å; E564-K567 PolarHBondContact O-N 2.89Å; E564-K567 VanDerWaalsContact OE1-CE 3.32Å; E564-K567 WeakPolarHBondContact OE1-CE 3.47Å; E564-K567 IonicContact OE1-NZ 2.74Å; E564-K567 PolarHBondContact OE1-NZ 3.48Å; E564-K567 WeakPolarHBondContact OE2-CD 3.5Å; E564-K567 IonicContact OE2-NZ 2.97Å; E564-K567 PolarHBondContact OE2-NZ 3.02Å; E564-D568 VanDerWaalsContact O-CG 3.31Å; E564-D568 PolarHBondContact O-N 3.37Å
565	Q	96.6	Very high	96.6	Very high	86 Å²	86	42.2 Å²	42.2	40%	0.402	22%	0.223	S	C	.	.	H	α-helix	trans	-62.6	-32.2	176.4	-158.8	-173.6	13.6	0	0	112.4	P557 K562 N569	P557-Q565 HydrophobicContact CB-CG 4.41Å; P557-Q565 HydrophobicContact CG-CB 4.48Å; P557-Q565 HydrophobicContact CG-CG 4.06Å; K562-Q565 HydrophobicContact CB-CB 4.19Å; K562-Q565 PolarHBondContact O-N 2.82Å; Q565-N569 VanDerWaalsContact O-CB 3.24Å; Q565-N569 WeakPolarHBondContact O-CB 3.33Å; Q565-N569 VanDerWaalsContact O-CG 3.22Å; Q565-N569 PolarHBondContact O-N 2.92Å; Q565-N569 PolarHBondContact O-ND2 3.45Å
566	R	97.7	Very high	96.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.7	-39.9	170.1	-70.3	-177.7	-86.3	-81.5	7.8	111.5	L556 P557 H559 M560 K562 A563 E564 F570 L599 N600 F601	L556-R566 HydrophobicContact CB-CB 4.37Å; L556-R566 HydrophobicContact CB-CG 3.94Å; L556-R566 HydrophobicContact CD1-CB 4.3Å; P557-R566 HydrophobicContact CB-CG 4.47Å; P557-R566 WeakPolarHBondContact O-CG 3.33Å; P557-R566 PolarHBondContact O-NH1 3.03Å; H559-R566 PolarHBondContact O-NH1 2.74Å; H559-R566 PolarHBondContact O-NH2 3.47Å; H559-R566 VanDerWaalsContact O-NH2 3.17Å; M560-R566 PolarHBondContact O-NH2 3.47Å; K562-R566 WeakPolarHBondContact O-CG 3.47Å; K562-R566 PolarHBondContact O-N 3.17Å; A563-R566 WeakPolarHBondContact O-CB 3.35Å; A563-R566 PolarHBondContact O-N 3.2Å; E564-R566 VanDerWaalsContact C-N 3.25Å; E564-R566 PolarHBondContact O-N 2.78Å; R566-F570 PolarHBondContact O-N 2.8Å; R566-L599 WeakPolarHBondContact CD-O 3.43Å; R566-N600 PolarHBondContact NH1-O 2.89Å; R566-F601 HydrophobicContact CB-CE1 3.98Å; R566-F601 HydrophobicContact CB-CE2 4.32Å; R566-F601 HydrophobicContact CB-CZ 3.74Å
567	K	97.3	Very high	96.4	Very high	27 Å²	27	46.9 Å²	46.9	12%	0.117	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-53.1	174.4	-63.2	178.7	-169.7	163	0	111.6	A563 E564 N569 F570 Q571 W636	A563-K567 PolarHBondContact O-N 3.21Å; E564-K567 CarbonylContact O-C 3.55Å; E564-K567 WeakPolarHBondContact O-CA 3.34Å; E564-K567 VanDerWaalsContact O-CB 3.24Å; E564-K567 WeakPolarHBondContact O-CB 3.17Å; E564-K567 PolarHBondContact O-N 2.89Å; E564-K567 VanDerWaalsContact OE1-CE 3.32Å; E564-K567 WeakPolarHBondContact OE1-CE 3.47Å; E564-K567 IonicContact OE1-NZ 2.74Å; E564-K567 PolarHBondContact OE1-NZ 3.48Å; E564-K567 WeakPolarHBondContact OE2-CD 3.5Å; E564-K567 IonicContact OE2-NZ 2.97Å; E564-K567 PolarHBondContact OE2-NZ 3.02Å; K567-N569 PolarHBondContact O-N 3.1Å; K567-F570 PolarHBondContact O-N 3.31Å; K567-F570 VanDerWaalsContact O-N 3.1Å; K567-Q571 PolarHBondContact O-N 3.17Å; K567-W636 HydrophobicContact CB-CD2 4.29Å; K567-W636 HydrophobicContact CB-CE3 4.34Å; K567-W636 HydrophobicContact CB-CH2 3.53Å; K567-W636 HydrophobicContact CB-CZ2 3.41Å; K567-W636 VanDerWaalsContact CB-CZ2 3.41Å; K567-W636 HydrophobicContact CB-CZ3 4Å; K567-W636 HydrophobicContact CD-CD2 3.92Å; K567-W636 HydrophobicContact CD-CE3 4.22Å; K567-W636 HydrophobicContact CD-CG 4.18Å; K567-W636 HydrophobicContact CD-CZ2 4.48Å; K567-W636 HydrophobicContact CG-CD2 3.9Å; K567-W636 HydrophobicContact CG-CE3 3.78Å; K567-W636 HydrophobicContact CG-CH2 3.87Å; K567-W636 HydrophobicContact CG-CZ2 3.94Å; K567-W636 HydrophobicContact CG-CZ3 3.79Å; K567-W636 WeakPolarHBondContact O-CH2 3.3Å
568	D	96.5	Very high	96.3	Very high	68 Å²	68	50.5 Å²	50.5	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-54.5	-41.8	177.6	-56.9	-30.2	0	0	0	111.6	E564 T572	E564-D568 VanDerWaalsContact O-CG 3.31Å; E564-D568 PolarHBondContact O-N 3.37Å; D568-T572 WeakPolarHBondContact O-CB 3.41Å; D568-T572 PolarHBondContact O-N 2.85Å; D568-T572 PolarHBondContact O-OG1 2.85Å
569	N	97.2	Very high	96.3	Very high	15 Å²	15	49.3 Å²	49.3	8%	0.08	25%	0.252	C	S	.	.	H	α-helix	trans	-67.6	-43	180	-83.4	-138.7	0	0	0	111.5	T526 L556 P557 Q565 K567 T572 I573	T526-N569 WeakPolarHBondContact CB-OD1 3.44Å; T526-N569 HydrophobicContact CG2-CB 4.24Å; T526-N569 PolarHBondContact OG1-OD1 3.07Å; L556-N569 HydrophobicContact CD2-CB 4.23Å; P557-N569 VanDerWaalsContact CD-OD1 3.32Å; P557-N569 WeakPolarHBondContact CD-OD1 3.38Å; P557-N569 HydrophobicContact CG-CB 4.45Å; P557-N569 WeakPolarHBondContact CG-OD1 3.35Å; Q565-N569 VanDerWaalsContact O-CB 3.24Å; Q565-N569 WeakPolarHBondContact O-CB 3.33Å; Q565-N569 VanDerWaalsContact O-CG 3.22Å; Q565-N569 PolarHBondContact O-N 2.92Å; Q565-N569 PolarHBondContact O-ND2 3.45Å; K567-N569 PolarHBondContact O-N 3.1Å; N569-T572 WeakPolarHBondContact O-CB 3.42Å; N569-T572 PolarHBondContact O-N 2.75Å; N569-I573 WeakPolarHBondContact O-CD1 3.4Å; N569-I573 WeakPolarHBondContact O-CG1 3.26Å; N569-I573 PolarHBondContact O-N 2.85Å
570	F	98	Very high	96.1	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-67.8	-41	176.2	-178.7	-124.5	0	0	0	112	L552 R566 K567 T572 I573 L574 W595 W636 L639 F642	L552-F570 HydrophobicContact CD2-CD2 4.38Å; L552-F570 HydrophobicContact CD2-CE2 3.73Å; R566-F570 PolarHBondContact O-N 2.8Å; K567-F570 PolarHBondContact O-N 3.31Å; K567-F570 VanDerWaalsContact O-N 3.1Å; F570-T572 VanDerWaalsContact C-N 3.34Å; F570-T572 PolarHBondContact O-N 2.83Å; F570-I573 PolarHBondContact O-N 3.26Å; F570-L574 HydrophobicContact CD1-CD1 3.95Å; F570-L574 HydrophobicContact CD2-CD1 4.35Å; F570-L574 HydrophobicContact CD2-CG 4.17Å; F570-L574 HydrophobicContact CE1-CD1 3.58Å; F570-L574 HydrophobicContact CE1-CG 4.36Å; F570-L574 HydrophobicContact CE2-CD1 4Å; F570-L574 HydrophobicContact CE2-CD2 3.96Å; F570-L574 HydrophobicContact CE2-CG 3.9Å; F570-L574 HydrophobicContact CG-CD1 4.34Å; F570-L574 HydrophobicContact CZ-CD1 3.62Å; F570-L574 HydrophobicContact CZ-CD2 4.1Å; F570-L574 HydrophobicContact CZ-CG 4.03Å; F570-L574 WeakPolarHBondContact O-CB 3.4Å; F570-L574 WeakPolarHBondContact O-CG 3.47Å; F570-L574 PolarHBondContact O-N 3.12Å; F570-W595 HydrophobicContact CB-CZ2 4.35Å; F570-W595 AromaticContact CD1-CH2 3.95Å; F570-W595 HydrophobicContact CD1-CH2 3.95Å; F570-W595 AromaticContact CD1-CZ2 3.91Å; F570-W595 HydrophobicContact CD1-CZ2 3.91Å; F570-W595 HydrophobicContact CD1-CZ3 4.44Å; F570-W595 HydrophobicContact CD2-CD2 4.27Å; F570-W595 AromaticContact CD2-CE2 3.57Å; F570-W595 AromaticContact CD2-CZ2 3.7Å; F570-W595 HydrophobicContact CD2-CZ2 3.7Å; F570-W595 AromaticContact CD2-NE1 3.63Å; F570-W595 HydrophobicContact CE1-CD2 4.18Å; F570-W595 HydrophobicContact CE1-CE3 4.06Å; F570-W595 AromaticContact CE1-CH2 3.92Å; F570-W595 HydrophobicContact CE1-CH2 3.92Å; F570-W595 HydrophobicContact CE1-CZ2 4.03Å; F570-W595 AromaticContact CE1-CZ3 3.95Å; F570-W595 HydrophobicContact CE1-CZ3 3.95Å; F570-W595 AromaticContact CE2-CD1 3.67Å; F570-W595 AromaticContact CE2-CD2 3.54Å; F570-W595 HydrophobicContact CE2-CD2 3.54Å; F570-W595 AromaticContact CE2-CE2 3.32Å; F570-W595 HydrophobicContact CE2-CE3 4.24Å; F570-W595 AromaticContact CE2-CG 3.74Å; F570-W595 HydrophobicContact CE2-CG 3.74Å; F570-W595 HydrophobicContact CE2-CH2 4.48Å; F570-W595 AromaticContact CE2-CZ2 3.82Å; F570-W595 HydrophobicContact CE2-CZ2 3.82Å; F570-W595 AromaticContact CE2-NE1 3.42Å; F570-W595 HydrophobicContact CG-CH2 4.24Å; F570-W595 AromaticContact CG-CZ2 3.73Å; F570-W595 HydrophobicContact CG-CZ2 3.73Å; F570-W595 AromaticContact CZ-CD2 3.47Å; F570-W595 HydrophobicContact CZ-CD2 3.47Å; F570-W595 VanDerWaalsContact CZ-CD2 3.47Å; F570-W595 AromaticContact CZ-CE2 3.63Å; F570-W595 AromaticContact CZ-CE3 3.71Å; F570-W595 HydrophobicContact CZ-CE3 3.71Å; F570-W595 AromaticContact CZ-CG 3.93Å; F570-W595 HydrophobicContact CZ-CG 3.93Å; F570-W595 HydrophobicContact CZ-CH2 4.18Å; F570-W595 AromaticContact CZ-CZ2 3.97Å; F570-W595 HydrophobicContact CZ-CZ2 3.97Å; F570-W595 HydrophobicContact CZ-CZ3 4.07Å; F570-W636 HydrophobicContact CB-CH2 4.14Å; F570-W636 AromaticContact CD1-CH2 3.67Å; F570-W636 HydrophobicContact CD1-CH2 3.67Å; F570-W636 AromaticContact CD1-CZ3 3.81Å; F570-W636 HydrophobicContact CD1-CZ3 3.81Å; F570-W636 HydrophobicContact CG-CH2 4.4Å; F570-L639 HydrophobicContact CD1-CD2 4.36Å; F570-L639 HydrophobicContact CE1-CD2 3.79Å; F570-F642 HydrophobicContact CZ-CE2 4.48Å; F570-F642 HydrophobicContact CZ-CZ 4.22Å
571	Q	97.3	Very high	95.5	Very high	55 Å²	55	50.6 Å²	50.6	26%	0.257	27%	0.269	S	S	.	.	H	α-helix	trans	-58.1	-43.7	169.7	-90.2	168.9	-68.1	0	0	112.5	K567 I573 L574 S575 W636 I638	K567-Q571 PolarHBondContact O-N 3.17Å; Q571-I573 PolarHBondContact O-N 2.81Å; Q571-L574 PolarHBondContact O-N 3.06Å; Q571-S575 WeakPolarHBondContact O-CB 3.3Å; Q571-S575 PolarHBondContact O-N 2.68Å; Q571-S575 PolarHBondContact O-OG 3.39Å; Q571-W636 HydrophobicContact CG-CZ2 3.8Å; Q571-I638 HydrophobicContact CG-CD1 3.87Å
572	T	97.1	Very high	94.3	Very high	30 Å²	30	50.2 Å²	50.2	18%	0.184	27%	0.273	C	S	.	.	H	α-helix	trans	-59.8	-44.5	175.5	-59.3	0	0	0	0	111.6	T524 T526 D568 N569 F570 S575 L576	T524-T572 HydrophobicContact CG2-CG2 4.24Å; T526-T572 HydrophobicContact CG2-CG2 4.42Å; D568-T572 WeakPolarHBondContact O-CB 3.41Å; D568-T572 PolarHBondContact O-N 2.85Å; D568-T572 PolarHBondContact O-OG1 2.85Å; N569-T572 WeakPolarHBondContact O-CB 3.42Å; N569-T572 PolarHBondContact O-N 2.75Å; F570-T572 VanDerWaalsContact C-N 3.34Å; F570-T572 PolarHBondContact O-N 2.83Å; T572-S575 PolarHBondContact O-N 3.13Å; T572-L576 HydrophobicContact CG2-CD1 3.71Å; T572-L576 HydrophobicContact CG2-CG 4.37Å; T572-L576 WeakPolarHBondContact O-CB 3.35Å; T572-L576 WeakPolarHBondContact O-CG 3.1Å; T572-L576 PolarHBondContact O-N 3.11Å
573	I	98.3	Very high	93.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.5	-49.6	177	-69.5	159	0	0	0	111.1	T524 T526 G536 L552 L556 N569 F570 Q571 S575 L576 Q577 I587	T524-I573 HydrophobicContact CG2-CG1 3.99Å; T526-I573 HydrophobicContact CG2-CG1 4.4Å; G536-I573 VanDerWaalsContact C-CD1 3.46Å; L552-I573 HydrophobicContact CD1-CG2 3.84Å; L552-I573 HydrophobicContact CD2-CG2 4.17Å; L556-I573 HydrophobicContact CD2-CD1 4.01Å; N569-I573 WeakPolarHBondContact O-CD1 3.4Å; N569-I573 WeakPolarHBondContact O-CG1 3.26Å; N569-I573 PolarHBondContact O-N 2.85Å; F570-I573 PolarHBondContact O-N 3.26Å; Q571-I573 PolarHBondContact O-N 2.81Å; I573-S575 PolarHBondContact O-N 2.82Å; I573-L576 PolarHBondContact O-N 3.06Å; I573-Q577 PolarHBondContact O-N 3.02Å; I573-Q577 VanDerWaalsContact O-N 3.11Å; I573-I587 HydrophobicContact CG2-CD1 4.34Å
574	L	97.6	Very high	92.9	Very high	18 Å²	18	48.8 Å²	48.8	9%	0.094	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-24.6	179.2	-69.1	178.3	0	0	0	113.9	L552 F570 Q571 I587 L588 I638	L552-L574 HydrophobicContact CD2-CD2 4.47Å; F570-L574 HydrophobicContact CD1-CD1 3.95Å; F570-L574 HydrophobicContact CD2-CD1 4.35Å; F570-L574 HydrophobicContact CD2-CG 4.17Å; F570-L574 HydrophobicContact CE1-CD1 3.58Å; F570-L574 HydrophobicContact CE1-CG 4.36Å; F570-L574 HydrophobicContact CE2-CD1 4Å; F570-L574 HydrophobicContact CE2-CD2 3.96Å; F570-L574 HydrophobicContact CE2-CG 3.9Å; F570-L574 HydrophobicContact CG-CD1 4.34Å; F570-L574 HydrophobicContact CZ-CD1 3.62Å; F570-L574 HydrophobicContact CZ-CD2 4.1Å; F570-L574 HydrophobicContact CZ-CG 4.03Å; F570-L574 WeakPolarHBondContact O-CB 3.4Å; F570-L574 WeakPolarHBondContact O-CG 3.47Å; F570-L574 PolarHBondContact O-N 3.12Å; Q571-L574 PolarHBondContact O-N 3.06Å; L574-I587 HydrophobicContact CD2-CB 3.75Å; L574-I587 HydrophobicContact CD2-CD1 4.05Å; L574-I587 HydrophobicContact CD2-CG1 4.49Å; L574-I587 HydrophobicContact CD2-CG2 3.65Å; L574-L588 HydrophobicContact CD1-CD1 4.07Å; L574-L588 HydrophobicContact CD1-CD2 4.46Å; L574-L588 HydrophobicContact CD1-CG 4.32Å; L574-L588 HydrophobicContact CD2-CD2 4.05Å; L574-L588 HydrophobicContact CD2-CG 4.09Å; L574-I638 HydrophobicContact CD1-CD1 3.54Å; L574-I638 HydrophobicContact CD1-CG1 4.08Å
575	S	96.4	Very high	92.7	Very high	80 Å²	80	49.1 Å²	49.1	56%	0.559	28%	0.283	S	S	*	.	H	α-helix	trans	-86.4	-38.9	180	-54.8	0	0	0	0	112.1	Q571 T572 I573 Q578	Q571-S575 WeakPolarHBondContact O-CB 3.3Å; Q571-S575 PolarHBondContact O-N 2.68Å; Q571-S575 PolarHBondContact O-OG 3.39Å; T572-S575 PolarHBondContact O-N 3.13Å; I573-S575 PolarHBondContact O-N 2.82Å; S575-Q578 PolarHBondContact O-NE2 2.73Å
576	L	96.7	Very high	92.6	Very high	102 Å²	102	45.4 Å²	45.4	53%	0.534	27%	0.267	S	S	.	.	H	α-helix	trans	-87.2	-28.7	-173.8	-67.5	179.8	0	0	0	114.2	T524 T572 I573 Q578	T524-L576 HydrophobicContact CG2-CB 4.25Å; T524-L576 HydrophobicContact CG2-CD1 3.89Å; T572-L576 HydrophobicContact CG2-CD1 3.71Å; T572-L576 HydrophobicContact CG2-CG 4.37Å; T572-L576 WeakPolarHBondContact O-CB 3.35Å; T572-L576 WeakPolarHBondContact O-CG 3.1Å; T572-L576 PolarHBondContact O-N 3.11Å; I573-L576 PolarHBondContact O-N 3.06Å; L576-Q578 PolarHBondContact O-N 2.84Å
577	Q	97.3	Very high	92.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.267	C	S	.	.			trans	-82.3	116.9	179.1	-63.1	-170.3	11.7	0	0	111.1	D522 T524 G537 S539 I573 I587	D522-Q577 HydrophobicContact CB-CB 4.16Å; D522-Q577 HydrophobicContact CB-CG 4.07Å; D522-Q577 WeakPolarHBondContact OD2-CA 3.43Å; T524-Q577 VanDerWaalsContact N-NE2 3.15Å; T524-Q577 WeakPolarHBondContact OG1-CG 3.22Å; T524-Q577 PolarHBondContact OG1-NE2 3.49Å; G537-Q577 PolarHBondContact O-NE2 2.96Å; G537-Q577 VanDerWaalsContact O-NE2 3.08Å; S539-Q577 VanDerWaalsContact CB-OE1 3.29Å; S539-Q577 PolarHBondContact OG-OE1 3.34Å; I573-Q577 PolarHBondContact O-N 3.02Å; I573-Q577 VanDerWaalsContact O-N 3.11Å; Q577-I587 HydrophobicContact CB-CD1 3.74Å; Q577-I587 HydrophobicContact CB-CG1 4.23Å; Q577-I587 HydrophobicContact CG-CD1 4.37Å
578	Q	94.6	Very high	92.5	Very high	88 Å²	88	46.8 Å²	46.8	41%	0.411	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-142.1	114.9	-169.9	-61.5	-62.5	-25.1	0	0	111	D522 S575 L576	D522-Q578 PolarHBondContact OD2-N 3.26Å; S575-Q578 PolarHBondContact O-NE2 2.73Å; L576-Q578 PolarHBondContact O-N 2.84Å
579	F	93.9	Very high	92.4	Very high	5 Å²	5	47.2 Å²	47.2	2%	0.022	28%	0.278	C	S	.	.			trans	-90.6	155.7	-176.7	-52.9	-77.3	0	0	0	112	Q520 D522 S539 R541 Q585 I587 H590	Q520-F579 HydrophobicContact CB-CD1 3.9Å; D522-F579 HydrophobicContact CB-CE1 3.98Å; D522-F579 HydrophobicContact CB-CZ 4.43Å; S539-F579 WeakPolarHBondContact OG-CZ 3.37Å; R541-F579 HydrophobicContact CB-CE1 4.33Å; R541-F579 HydrophobicContact CB-CE2 4.37Å; R541-F579 HydrophobicContact CB-CZ 4.21Å; R541-F579 HydrophobicContact CG-CB 4.29Å; R541-F579 HydrophobicContact CG-CD1 3.44Å; R541-F579 VanDerWaalsContact CG-CD1 3.44Å; R541-F579 HydrophobicContact CG-CD2 3.95Å; R541-F579 HydrophobicContact CG-CE1 3.57Å; R541-F579 HydrophobicContact CG-CE2 4.07Å; R541-F579 HydrophobicContact CG-CG 3.62Å; R541-F579 HydrophobicContact CG-CZ 3.88Å; F579-Q585 VanDerWaalsContact CD2-O 3.31Å; F579-Q585 WeakPolarHBondContact CD2-O 3.37Å; F579-Q585 PolarHBondContact N-O 2.95Å; F579-I587 HydrophobicContact CE2-CG1 3.94Å; F579-H590 AromaticContact CD2-CE1 3.56Å; F579-H590 AromaticContact CE2-CE1 3.79Å
580	Q	88.5	Confident	92.3	Very high	137 Å²	137	46.6 Å²	46.6	64%	0.64	27%	0.274	S	S	*	.			trans	-96.8	157.3	-178.7	-61.2	-57.2	-50.9	0	0	111.9	Q520	Q520-Q580 PolarHBondContact NE2-O 3.19Å
581	G	80.3	Confident	92.1	Very high	43 Å²	43	48.4 Å²	48.4	44%	0.443	28%	0.284	S	S	.	.	S	Bend	trans	90.5	-167	176	0	0	0	0	0	114.7
582	P	70	Confident	92.1	Very high	98 Å²	98	45.8 Å²	45.8	64%	0.636	27%	0.272	S	S	*	.	S	Bend	trans	-80.5	177.2	-176.6	33.3	-35.5	0	0	0	113.4	R541 A584	R541-P582 PolarHBondContact NH2-O 2.88Å; P582-A584 VanDerWaalsContact C-N 3.34Å; P582-A584 PolarHBondContact O-N 2.92Å
583	G	75.8	Confident	92.2	Very high	59 Å²	59	44.4 Å²	44.4	61%	0.608	26%	0.263	S	S	*	.	S	Bend	trans	84.2	-62.6	173.3	0	0	0	0	0	114.3
584	A	88	Confident	92.2	Very high	4 Å²	4	44.4 Å²	44.4	3%	0.033	26%	0.263	C	S	.	.			trans	-155.5	127.8	-175.3	0	0	0	0	0	111.9	R541 M548 P582 D589 H590	R541-A584 PolarHBondContact NH2-O 3.17Å; M548-A584 HydrophobicContact CB-CB 4.34Å; M548-A584 HydrophobicContact CG-CB 4.31Å; P582-A584 VanDerWaalsContact C-N 3.34Å; P582-A584 PolarHBondContact O-N 2.92Å; A584-D589 HydrophobicContact CB-CB 3.79Å; A584-H590 HydrophobicContact CB-CB 4.31Å
585	Q	92.3	Very high	92.3	Very high	116 Å²	116	43.6 Å²	43.6	54%	0.542	26%	0.259	S	S	.	.	S	Bend	trans	-103.3	-55.7	-179.9	-69.3	-175.3	-9.2	0	0	111.5	F579 D589	F579-Q585 VanDerWaalsContact CD2-O 3.31Å; F579-Q585 WeakPolarHBondContact CD2-O 3.37Å; F579-Q585 PolarHBondContact N-O 2.95Å; Q585-D589 PolarHBondContact N-OD2 2.81Å
586	G	94.8	Very high	92.4	Very high	7 Å²	7	39.8 Å²	39.8	7%	0.072	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-79.6	158.7	171.8	0	0	0	0	0	111.9	L588 D589 H590	G586-L588 VanDerWaalsContact C-N 3.29Å; G586-L588 PolarHBondContact O-N 2.93Å; G586-D589 PolarHBondContact N-OD2 2.89Å; G586-D589 WeakPolarHBondContact O-CB 3.24Å; G586-D589 PolarHBondContact O-N 2.93Å; G586-D589 VanDerWaalsContact O-N 3.07Å; G586-H590 PolarHBondContact O-CE1 2.79Å; G586-H590 PolarHBondContact O-ND1 3.17Å
587	I	96.9	Very high	92.5	Very high	1 Å²	1	35 Å²	35	1%	0.005	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-52.6	-47.6	177	-70.3	170.8	0	0	0	111.2	L552 I573 L574 Q577 F579 D589 H590 V593	L552-I587 HydrophobicContact CD1-CD1 4.14Å; L552-I587 HydrophobicContact CD2-CD1 4.18Å; L552-I587 HydrophobicContact CD2-CG2 4.48Å; I573-I587 HydrophobicContact CG2-CD1 4.34Å; L574-I587 HydrophobicContact CD2-CB 3.75Å; L574-I587 HydrophobicContact CD2-CD1 4.05Å; L574-I587 HydrophobicContact CD2-CG1 4.49Å; L574-I587 HydrophobicContact CD2-CG2 3.65Å; Q577-I587 HydrophobicContact CB-CD1 3.74Å; Q577-I587 HydrophobicContact CB-CG1 4.23Å; Q577-I587 HydrophobicContact CG-CD1 4.37Å; F579-I587 HydrophobicContact CE2-CG1 3.94Å; I587-D589 PolarHBondContact O-N 2.91Å; I587-H590 PolarHBondContact O-N 3.05Å; I587-H590 PolarHBondContact O-ND1 2.92Å; I587-V593 HydrophobicContact CG2-CG1 3.81Å; I587-V593 HydrophobicContact CG2-CG2 4.37Å; I587-V593 WeakPolarHBondContact O-CG2 3.02Å
588	L	95.4	Very high	92.6	Very high	55 Å²	55	35 Å²	35	29%	0.288	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-73.8	-3.5	-177.3	-58.7	-174.1	0	0	0	115.1	L574 G586 I638 F642	L574-L588 HydrophobicContact CD1-CD1 4.07Å; L574-L588 HydrophobicContact CD1-CD2 4.46Å; L574-L588 HydrophobicContact CD1-CG 4.32Å; L574-L588 HydrophobicContact CD2-CD2 4.05Å; L574-L588 HydrophobicContact CD2-CG 4.09Å; G586-L588 VanDerWaalsContact C-N 3.29Å; G586-L588 PolarHBondContact O-N 2.93Å; L588-I638 HydrophobicContact CD1-CG1 4.23Å; L588-F642 HydrophobicContact CD2-CE2 3.87Å; L588-F642 HydrophobicContact CD2-CZ 3.73Å
589	D	93.6	Very high	92.8	Very high	78 Å²	78	30.8 Å²	30.8	42%	0.417	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-84.1	-12.4	177.1	-59.1	-24.4	0	0	0	112.7	A584 Q585 G586 I587 K682	A584-D589 HydrophobicContact CB-CB 3.79Å; Q585-D589 PolarHBondContact N-OD2 2.81Å; G586-D589 PolarHBondContact N-OD2 2.89Å; G586-D589 WeakPolarHBondContact O-CB 3.24Å; G586-D589 PolarHBondContact O-N 2.93Å; G586-D589 VanDerWaalsContact O-N 3.07Å; I587-D589 PolarHBondContact O-N 2.91Å; D589-K682 WeakPolarHBondContact O-CE 3.44Å; D589-K682 PolarHBondContact O-NZ 2.89Å
590	H	95.2	Very high	93	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	19%	0.187	C	C	.	.	S	Bend	trans	-70.8	149.7	-179.4	-65.1	71.9	0	0	0	110.9	R541 M548 C550 F579 A584 G586 I587 L592 V593	R541-H590 WeakPolarHBondContact CB-NE2 3.06Å; R541-H590 PolarHBondContact NE-NE2 2.76Å; M548-H590 HydrophobicContact CB-CB 4.33Å; C550-H590 HydrophobicContact CB-CB 3.92Å; F579-H590 AromaticContact CD2-CE1 3.56Å; F579-H590 AromaticContact CE2-CE1 3.79Å; A584-H590 HydrophobicContact CB-CB 4.31Å; G586-H590 PolarHBondContact O-CE1 2.79Å; G586-H590 PolarHBondContact O-ND1 3.17Å; I587-H590 PolarHBondContact O-N 3.05Å; I587-H590 PolarHBondContact O-ND1 2.92Å; H590-L592 VanDerWaalsContact C-N 3.26Å; H590-L592 PolarHBondContact O-N 3.37Å; H590-V593 HydrophobicContact CB-CG2 4.06Å
591	D	94.7	Very high	93.5	Very high	40 Å²	40	24.2 Å²	24.2	21%	0.214	16%	0.157	C	C	.	.	S	Bend	trans	-69	-29.1	-176.1	-52.8	-48.4	0	0	0	111.8	M548 V681 K682	M548-D591 WeakPolarHBondContact CB-OD2 3.38Å; M548-D591 PolarHBondContact N-OD2 2.84Å; M548-D591 PolarHBondContact O-N 3.04Å; D591-V681 WeakPolarHBondContact O-CA 3.3Å; D591-K682 HydrophobicContact CB-CD 4.44Å; D591-K682 PolarHBondContact O-N 2.81Å; D591-K682 WeakPolarHBondContact OD1-CD 3.32Å; D591-K682 WeakPolarHBondContact OD1-CE 3.37Å; D591-K682 IonicContact OD1-NZ 2.98Å; D591-K682 PolarHBondContact OD1-NZ 3.24Å
592	L	97.6	Very high	94.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	128	164.5	175.9	58.8	0	0	0	111.1	M548 L549 C550 H590 F594 W679 K680 V681 L698 V700 L725	M548-L592 PolarHBondContact O-N 3.41Å; M548-L592 VanDerWaalsContact O-N 3.1Å; L549-L592 CarbonylContact C-O 3.54Å; L549-L592 WeakPolarHBondContact CA-O 3.16Å; L549-L592 HydrophobicContact CD2-CB 3.86Å; L549-L592 HydrophobicContact CD2-CD2 4.23Å; C550-L592 PolarHBondContact N-O 3.03Å; H590-L592 VanDerWaalsContact C-N 3.26Å; H590-L592 PolarHBondContact O-N 3.37Å; L592-F594 HydrophobicContact CD2-CD2 4.33Å; L592-F594 HydrophobicContact CD2-CE2 3.5Å; L592-F594 HydrophobicContact CD2-CZ 3.66Å; L592-F594 HydrophobicContact CG-CD2 4.29Å; L592-F594 HydrophobicContact CG-CE2 3.94Å; L592-F594 HydrophobicContact CG-CZ 4.28Å; L592-W679 HydrophobicContact CD1-CB 4.1Å; L592-W679 HydrophobicContact CD1-CG 4.5Å; L592-K680 WeakPolarHBondContact CA-O 3.41Å; L592-V681 HydrophobicContact CD1-CG2 4.11Å; L592-L698 HydrophobicContact CB-CD2 3.76Å; L592-L698 HydrophobicContact CD2-CD2 4.39Å; L592-V700 HydrophobicContact CD1-CG2 4.11Å; L592-V700 HydrophobicContact CD2-CG2 3.85Å; L592-L725 HydrophobicContact CD2-CD1 4.11Å; L592-L725 HydrophobicContact CD2-CD2 3.9Å; L592-L725 HydrophobicContact CD2-CG 4.13Å
593	V	98.6	Very high	95.6	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.1	169.6	-177.7	0	0	0	0	109.4	C550 I587 H590 F642 W679 K680	C550-V593 HydrophobicContact CB-CG2 4.48Å; C550-V593 CarbonylContact O-C 3.58Å; C550-V593 WeakPolarHBondContact O-CA 3.07Å; I587-V593 HydrophobicContact CG2-CG1 3.81Å; I587-V593 HydrophobicContact CG2-CG2 4.37Å; I587-V593 WeakPolarHBondContact O-CG2 3.02Å; H590-V593 HydrophobicContact CB-CG2 4.06Å; V593-F642 HydrophobicContact CG1-CE1 4.33Å; V593-F642 HydrophobicContact CG1-CZ 4.43Å; V593-W679 CarbonylContact O-C 3.57Å; V593-W679 WeakPolarHBondContact O-CA 3.31Å; V593-K680 HydrophobicContact CB-CB 4.5Å; V593-K680 PolarHBondContact N-O 2.66Å; V593-K680 PolarHBondContact O-N 2.94Å
594	F	98.9	Very high	96.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.2	160.6	-68.1	-76.9	0	0	0	109.1	I420 V422 C550 F551 L552 L592 F596 L678 W679 F723	I420-F594 HydrophobicContact CD1-CE2 4.08Å; I420-F594 HydrophobicContact CD1-CZ 4.46Å; I420-F594 HydrophobicContact CG2-CE2 4.3Å; I420-F594 HydrophobicContact CG2-CZ 4.39Å; V422-F594 HydrophobicContact CG2-CD1 3.94Å; V422-F594 HydrophobicContact CG2-CE1 4.06Å; V422-F594 HydrophobicContact CG2-CG 4.17Å; V422-F594 HydrophobicContact CG2-CZ 4.37Å; C550-F594 PolarHBondContact O-N 3.04Å; F551-F594 HydrophobicContact CD1-CB 4.06Å; F551-F594 AromaticContact CD1-CD2 3.59Å; F551-F594 HydrophobicContact CD1-CD2 3.59Å; F551-F594 HydrophobicContact CD1-CE2 4.4Å; F551-F594 HydrophobicContact CD1-CG 4.14Å; F551-F594 AromaticContact CE1-CD2 3.33Å; F551-F594 HydrophobicContact CE1-CD2 3.33Å; F551-F594 AromaticContact CE1-CE2 3.69Å; F551-F594 HydrophobicContact CE1-CE2 3.69Å; F551-F594 HydrophobicContact CE1-CG 4.2Å; F551-F594 HydrophobicContact CG-CD2 4.49Å; F551-F594 HydrophobicContact CZ-CD2 4.05Å; F551-F594 HydrophobicContact CZ-CE2 4.16Å; L552-F594 PolarHBondContact N-O 2.97Å; L592-F594 HydrophobicContact CD2-CD2 4.33Å; L592-F594 HydrophobicContact CD2-CE2 3.5Å; L592-F594 HydrophobicContact CD2-CZ 3.66Å; L592-F594 HydrophobicContact CG-CD2 4.29Å; L592-F594 HydrophobicContact CG-CE2 3.94Å; L592-F594 HydrophobicContact CG-CZ 4.28Å; F594-F596 HydrophobicContact CB-CD1 3.93Å; F594-F596 HydrophobicContact CB-CE1 3.91Å; F594-L678 WeakPolarHBondContact CA-O 2.84Å; F594-W679 HydrophobicContact CD1-CB 3.71Å; F594-W679 HydrophobicContact CE1-CB 3.87Å; F594-F723 HydrophobicContact CD1-CD2 4.48Å; F594-F723 HydrophobicContact CD1-CE2 4.12Å; F594-F723 HydrophobicContact CD1-CZ 4.32Å; F594-F723 HydrophobicContact CE1-CD1 4.05Å; F594-F723 AromaticContact CE1-CD2 3.53Å; F594-F723 HydrophobicContact CE1-CD2 3.53Å; F594-F723 HydrophobicContact CE1-CE1 4.06Å; F594-F723 AromaticContact CE1-CE2 3.54Å; F594-F723 HydrophobicContact CE1-CE2 3.54Å; F594-F723 AromaticContact CE1-CG 3.78Å; F594-F723 HydrophobicContact CE1-CG 3.78Å; F594-F723 AromaticContact CE1-CZ 3.82Å; F594-F723 HydrophobicContact CE1-CZ 3.82Å; F594-F723 HydrophobicContact CZ-CB 4.38Å; F594-F723 AromaticContact CZ-CD2 3.98Å; F594-F723 HydrophobicContact CZ-CD2 3.98Å; F594-F723 HydrophobicContact CZ-CE2 4.43Å; F594-F723 HydrophobicContact CZ-CG 4.08Å
595	W	98.9	Very high	96.6	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	116.4	172.5	173	40.4	0	0	0	109.2	L552 L556 F570 L599 F601 L629 L639 F642 L678	L552-W595 HydrophobicContact CD2-CG 4.32Å; L556-W595 HydrophobicContact CD1-CZ2 4.08Å; F570-W595 HydrophobicContact CB-CZ2 4.35Å; F570-W595 AromaticContact CD1-CH2 3.95Å; F570-W595 HydrophobicContact CD1-CH2 3.95Å; F570-W595 AromaticContact CD1-CZ2 3.91Å; F570-W595 HydrophobicContact CD1-CZ2 3.91Å; F570-W595 HydrophobicContact CD1-CZ3 4.44Å; F570-W595 HydrophobicContact CD2-CD2 4.27Å; F570-W595 AromaticContact CD2-CE2 3.57Å; F570-W595 AromaticContact CD2-CZ2 3.7Å; F570-W595 HydrophobicContact CD2-CZ2 3.7Å; F570-W595 AromaticContact CD2-NE1 3.63Å; F570-W595 HydrophobicContact CE1-CD2 4.18Å; F570-W595 HydrophobicContact CE1-CE3 4.06Å; F570-W595 AromaticContact CE1-CH2 3.92Å; F570-W595 HydrophobicContact CE1-CH2 3.92Å; F570-W595 HydrophobicContact CE1-CZ2 4.03Å; F570-W595 AromaticContact CE1-CZ3 3.95Å; F570-W595 HydrophobicContact CE1-CZ3 3.95Å; F570-W595 AromaticContact CE2-CD1 3.67Å; F570-W595 AromaticContact CE2-CD2 3.54Å; F570-W595 HydrophobicContact CE2-CD2 3.54Å; F570-W595 AromaticContact CE2-CE2 3.32Å; F570-W595 HydrophobicContact CE2-CE3 4.24Å; F570-W595 AromaticContact CE2-CG 3.74Å; F570-W595 HydrophobicContact CE2-CG 3.74Å; F570-W595 HydrophobicContact CE2-CH2 4.48Å; F570-W595 AromaticContact CE2-CZ2 3.82Å; F570-W595 HydrophobicContact CE2-CZ2 3.82Å; F570-W595 AromaticContact CE2-NE1 3.42Å; F570-W595 HydrophobicContact CG-CH2 4.24Å; F570-W595 AromaticContact CG-CZ2 3.73Å; F570-W595 HydrophobicContact CG-CZ2 3.73Å; F570-W595 AromaticContact CZ-CD2 3.47Å; F570-W595 HydrophobicContact CZ-CD2 3.47Å; F570-W595 VanDerWaalsContact CZ-CD2 3.47Å; F570-W595 AromaticContact CZ-CE2 3.63Å; F570-W595 AromaticContact CZ-CE3 3.71Å; F570-W595 HydrophobicContact CZ-CE3 3.71Å; F570-W595 AromaticContact CZ-CG 3.93Å; F570-W595 HydrophobicContact CZ-CG 3.93Å; F570-W595 HydrophobicContact CZ-CH2 4.18Å; F570-W595 AromaticContact CZ-CZ2 3.97Å; F570-W595 HydrophobicContact CZ-CZ2 3.97Å; F570-W595 HydrophobicContact CZ-CZ3 4.07Å; W595-L599 HydrophobicContact CD2-CD1 4.19Å; W595-L599 HydrophobicContact CE3-CD1 4.42Å; W595-L599 HydrophobicContact CH2-CD1 4.01Å; W595-L599 HydrophobicContact CZ2-CD1 3.74Å; W595-L599 HydrophobicContact CZ2-CD2 3.98Å; W595-L599 HydrophobicContact CZ2-CG 4.42Å; W595-L599 HydrophobicContact CZ3-CD1 4.32Å; W595-F601 HydrophobicContact CH2-CE2 4.46Å; W595-L629 HydrophobicContact CH2-CD1 4.23Å; W595-L629 HydrophobicContact CZ3-CD1 4.28Å; W595-L639 HydrophobicContact CE3-CD2 4.28Å; W595-L639 HydrophobicContact CH2-CD2 4.04Å; W595-L639 HydrophobicContact CZ3-CD2 3.47Å; W595-L639 VanDerWaalsContact CZ3-CD2 3.47Å; W595-F642 HydrophobicContact CB-CD1 4.45Å; W595-F642 HydrophobicContact CB-CE1 3.72Å; W595-F642 HydrophobicContact CB-CZ 4.38Å; W595-F642 HydrophobicContact CE3-CD1 4.35Å; W595-F642 HydrophobicContact CE3-CE1 4.29Å; W595-L678 HydrophobicContact CE3-CB 4.44Å; W595-L678 HydrophobicContact CE3-CD1 4.2Å; W595-L678 HydrophobicContact CE3-CD2 4.39Å; W595-L678 HydrophobicContact CZ3-CD1 4.48Å; W595-L678 HydrophobicContact CZ3-CD2 4.38Å; W595-L678 PolarHBondContact N-O 3.3Å; W595-L678 PolarHBondContact O-N 3.23Å
596	F	98.9	Very high	96.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	172.9	-171.4	55.2	-77.1	0	0	0	111.2	V422 A455 L504 F551 L552 N553 C554 F594 R676 I677	V422-F596 HydrophobicContact CG1-CB 4.39Å; V422-F596 HydrophobicContact CG1-CD1 3.85Å; V422-F596 HydrophobicContact CG1-CD2 3.78Å; V422-F596 HydrophobicContact CG1-CE1 3.95Å; V422-F596 HydrophobicContact CG1-CE2 3.85Å; V422-F596 HydrophobicContact CG1-CG 3.78Å; V422-F596 HydrophobicContact CG1-CZ 3.93Å; A455-F596 HydrophobicContact CB-CZ 4.25Å; L504-F596 HydrophobicContact CD1-CE2 4.05Å; L504-F596 HydrophobicContact CD1-CZ 3.67Å; L504-F596 HydrophobicContact CD2-CZ 4.49Å; F551-F596 HydrophobicContact CB-CE1 3.97Å; F551-F596 HydrophobicContact CB-CZ 4.17Å; F551-F596 HydrophobicContact CD1-CE1 4.22Å; F551-F596 HydrophobicContact CD1-CZ 4.48Å; L552-F596 WeakPolarHBondContact O-CD1 3.39Å; L552-F596 PolarHBondContact O-N 2.98Å; N553-F596 CarbonylContact C-O 3.58Å; N553-F596 WeakPolarHBondContact CA-O 3.31Å; N553-F596 HydrophobicContact CB-CD2 4.42Å; N553-F596 HydrophobicContact CB-CE2 4.12Å; N553-F596 HydrophobicContact CB-CZ 4.48Å; C554-F596 PolarHBondContact N-O 3.47Å; F594-F596 HydrophobicContact CB-CD1 3.93Å; F594-F596 HydrophobicContact CB-CE1 3.91Å; F596-R676 CarbonylContact C-O 3.58Å; F596-R676 WeakPolarHBondContact CA-O 3.21Å; F596-R676 VanDerWaalsContact CB-O 3.25Å; F596-R676 WeakPolarHBondContact CB-O 3.41Å; F596-I677 HydrophobicContact CB-CB 4.27Å; F596-I677 HydrophobicContact CB-CG1 3.99Å; F596-I677 HydrophobicContact CB-CG2 4.29Å
597	G	98.9	Very high	96.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135	-170.4	175.2	0	0	0	0	0	113.6	T424 C554 L599 D675 R676	T424-G597 WeakPolarHBondContact OG1-CA 3.4Å; C554-G597 VanDerWaalsContact O-CA 3.31Å; C554-G597 WeakPolarHBondContact O-CA 3.37Å; G597-L599 PolarHBondContact O-N 2.99Å; G597-D675 WeakPolarHBondContact O-CA 3.24Å; G597-R676 PolarHBondContact N-O 3.44Å; G597-R676 VanDerWaalsContact N-O 3.09Å; G597-R676 PolarHBondContact O-N 2.64Å
598	D	98.9	Very high	96.4	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	83.4	159.4	-175.7	-2.8	0	0	0	108.5	N426 Q459 C554 H555 L556 N600 T674 H716	N426-D598 HydrophobicContact CB-CB 4.23Å; N426-D598 PolarHBondContact ND2-OD2 2.95Å; Q459-D598 HydrophobicContact CB-CB 4.4Å; Q459-D598 HydrophobicContact CG-CB 4.05Å; C554-D598 PolarHBondContact O-N 2.86Å; C554-D598 VanDerWaalsContact O-N 3.15Å; H555-D598 WeakPolarHBondContact CA-O 3.36Å; H555-D598 IonicContact CD2-OD2 3.41Å; H555-D598 IonicContact CE1-OD2 2.77Å; H555-D598 IonicContact NE2-OD2 3.72Å; H555-D598 PolarHBondContact NE2-OD2 2.74Å; L556-D598 PolarHBondContact N-O 3.12Å; D598-N600 PolarHBondContact O-N 2.87Å; D598-N600 WeakPolarHBondContact OD1-CA 3.42Å; D598-N600 WeakPolarHBondContact OD1-CB 3.26Å; D598-N600 PolarHBondContact OD1-N 2.88Å; D598-N600 PolarHBondContact OD1-ND2 2.88Å; D598-N600 PolarHBondContact OD2-ND2 3.12Å; D598-T674 WeakPolarHBondContact OD1-CB 3.21Å; D598-H716 IonicContact OD2-CE1 2.69Å; D598-H716 PolarHBondContact OD2-CE1 3.41Å; D598-H716 VanDerWaalsContact OD2-CE1 3.24Å; D598-H716 IonicContact OD2-NE2 2.72Å
599	L	98.8	Very high	96.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.			trans	-73.3	-8.4	175.3	-53.7	-167.4	0	0	0	111.6	C554 L556 R566 W595 G597 F601 L629 T674 R676 L678	C554-L599 HydrophobicContact CB-CD2 3.76Å; L556-L599 HydrophobicContact CD1-CB 4.26Å; L556-L599 HydrophobicContact CD1-CD2 4.11Å; L556-L599 HydrophobicContact CG-CD2 4.38Å; R566-L599 WeakPolarHBondContact CD-O 3.43Å; W595-L599 HydrophobicContact CD2-CD1 4.19Å; W595-L599 HydrophobicContact CE3-CD1 4.42Å; W595-L599 HydrophobicContact CH2-CD1 4.01Å; W595-L599 HydrophobicContact CZ2-CD1 3.74Å; W595-L599 HydrophobicContact CZ2-CD2 3.98Å; W595-L599 HydrophobicContact CZ2-CG 4.42Å; W595-L599 HydrophobicContact CZ3-CD1 4.32Å; G597-L599 PolarHBondContact O-N 2.99Å; L599-F601 HydrophobicContact CB-CD2 3.81Å; L599-F601 HydrophobicContact CB-CE2 4.16Å; L599-F601 VanDerWaalsContact O-CD2 3.25Å; L599-F601 WeakPolarHBondContact O-CD2 3.49Å; L599-F601 PolarHBondContact O-N 2.83Å; L599-L629 HydrophobicContact CD1-CD2 3.94Å; L599-T674 PolarHBondContact N-O 3.27Å; L599-R676 HydrophobicContact CB-CG 4.49Å; L599-R676 HydrophobicContact CD1-CB 3.85Å; L599-R676 HydrophobicContact CD1-CG 4.38Å; L599-R676 HydrophobicContact CG-CB 4.16Å; L599-L678 HydrophobicContact CD1-CD1 3.61Å
600	N	98.5	Very high	96.5	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.016	16%	0.159	C	C	.	.			trans	60.3	8.1	167.2	-114.2	-62.5	0	0	0	116.9	H555 L556 A558 R566 D598 R602 T674	H555-N600 PolarHBondContact NE2-ND2 2.85Å; L556-N600 WeakPolarHBondContact O-CB 3.31Å; L556-N600 PolarHBondContact O-ND2 2.89Å; A558-N600 VanDerWaalsContact CA-OD1 3.29Å; A558-N600 WeakPolarHBondContact CA-OD1 3.41Å; A558-N600 VanDerWaalsContact CB-OD1 3.31Å; A558-N600 WeakPolarHBondContact CB-OD1 3.42Å; R566-N600 PolarHBondContact NH1-O 2.89Å; D598-N600 PolarHBondContact O-N 2.87Å; D598-N600 WeakPolarHBondContact OD1-CA 3.42Å; D598-N600 WeakPolarHBondContact OD1-CB 3.26Å; D598-N600 PolarHBondContact OD1-N 2.88Å; D598-N600 PolarHBondContact OD1-ND2 2.88Å; D598-N600 PolarHBondContact OD2-ND2 3.12Å; N600-R602 WeakPolarHBondContact O-CD 3.19Å; N600-R602 WeakPolarHBondContact O-CG 3.41Å; N600-R602 PolarHBondContact O-NE 2.87Å; N600-R602 PolarHBondContact OD1-NH2 3.05Å; N600-T674 PolarHBondContact N-O 2.85Å
601	F	98.1	Very high	96.6	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	16%	0.159	C	C	.	.			trans	-63.8	149.3	172.6	-71.2	-79.4	0	0	0	111.5	L556 R566 W595 L599 Q628 L629	L556-F601 HydrophobicContact CD1-CE2 4.32Å; R566-F601 HydrophobicContact CB-CE1 3.98Å; R566-F601 HydrophobicContact CB-CE2 4.32Å; R566-F601 HydrophobicContact CB-CZ 3.74Å; W595-F601 HydrophobicContact CH2-CE2 4.46Å; L599-F601 HydrophobicContact CB-CD2 3.81Å; L599-F601 HydrophobicContact CB-CE2 4.16Å; L599-F601 VanDerWaalsContact O-CD2 3.25Å; L599-F601 WeakPolarHBondContact O-CD2 3.49Å; L599-F601 PolarHBondContact O-N 2.83Å; F601-Q628 HydrophobicContact CB-CB 4.25Å; F601-Q628 HydrophobicContact CD1-CB 3.74Å; F601-Q628 HydrophobicContact CG-CB 4.47Å; F601-L629 HydrophobicContact CB-CB 3.93Å; F601-L629 HydrophobicContact CD1-CB 4.39Å; F601-L629 HydrophobicContact CD2-CB 3.86Å; F601-L629 HydrophobicContact CD2-CD1 4.04Å; F601-L629 HydrophobicContact CD2-CD2 4.19Å; F601-L629 HydrophobicContact CD2-CG 4.25Å; F601-L629 HydrophobicContact CE2-CB 4.49Å; F601-L629 HydrophobicContact CE2-CD1 3.85Å; F601-L629 HydrophobicContact CG-CB 3.81Å; F601-L629 HydrophobicContact CZ-CD1 4.28Å
602	R	97.6	Very high	96.6	Very high	13 Å²	13	32.3 Å²	32.3	5%	0.049	16%	0.161	C	C	.	.			trans	-127.6	160.7	-167.6	-52.9	-57.2	178.9	124.3	-14.5	111.3	M560 N600 Q628 A672	M560-R602 HydrophobicContact CE-CB 3.83Å; M560-R602 HydrophobicContact CE-CG 4.48Å; M560-R602 HydrophobicContact SD-CB 3.44Å; M560-R602 WeakPolarHBondContact SD-CB 3.23Å; M560-R602 HydrophobicContact SD-CG 4.21Å; N600-R602 WeakPolarHBondContact O-CD 3.19Å; N600-R602 WeakPolarHBondContact O-CG 3.41Å; N600-R602 PolarHBondContact O-NE 2.87Å; N600-R602 PolarHBondContact OD1-NH2 3.05Å; R602-Q628 WeakPolarHBondContact O-CB 3.29Å; R602-Q628 WeakPolarHBondContact O-CG 3.3Å; R602-Q628 PolarHBondContact O-N 2.85Å; R602-A672 HydrophobicContact CB-CB 4.47Å
603	I	97.1	Very high	96.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-79.7	120.5	169	-54.3	170.4	0	0	0	107.7	M560 Y606 V611 L623 K626 P651 K670 W673	M560-I603 VanDerWaalsContact CE-O 3.24Å; M560-I603 WeakPolarHBondContact CE-O 3.47Å; I603-Y606 HydrophobicContact CG2-CD2 4.28Å; I603-V611 HydrophobicContact CD1-CG1 4.15Å; I603-V611 HydrophobicContact CG2-CG2 4.15Å; I603-L623 HydrophobicContact CD1-CB 4.18Å; I603-L623 HydrophobicContact CD1-CD1 4.01Å; I603-L623 HydrophobicContact CG2-CB 4.46Å; I603-K626 CarbonylContact C-O 3.59Å; I603-K626 WeakPolarHBondContact CA-O 3.44Å; I603-K626 HydrophobicContact CG2-CB 4.22Å; I603-P651 HydrophobicContact CD1-CG 4.41Å; I603-K670 WeakPolarHBondContact O-CE 3.4Å; I603-K670 PolarHBondContact O-NZ 3.21Å; I603-W673 HydrophobicContact CD1-CE3 3.91Å; I603-W673 HydrophobicContact CD1-CZ3 3.69Å; I603-W673 HydrophobicContact CG1-CE3 4.13Å; I603-W673 HydrophobicContact CG1-CZ3 4.17Å
604	E	93.8	Very high	96.5	Very high	75 Å²	75	37 Å²	37	35%	0.35	18%	0.182	S	C	.	.			trans	-89.9	-174.9	177.9	-163.5	130	-135.6	0	0	111.3	Y606 K626 Q628 M631	E604-Y606 VanDerWaalsContact C-N 3.25Å; E604-Y606 PolarHBondContact O-N 3.4Å; E604-K626 PolarHBondContact N-O 3.14Å; E604-Q628 HydrophobicContact CB-CG 4.26Å; E604-Q628 VanDerWaalsContact CD-NE2 3.35Å; E604-Q628 PolarHBondContact OE1-NE2 2.82Å; E604-Q628 WeakPolarHBondContact OE2-CG 3.32Å; E604-Q628 PolarHBondContact OE2-NE2 3.22Å; E604-M631 HydrophobicContact CB-CE 3.81Å; E604-M631 HydrophobicContact CG-CE 4.46Å
605	S	90.8	Very high	96.4	Very high	96 Å²	96	38 Å²	38	67%	0.671	19%	0.187	S	C	*	.	S	Bend	trans	57.9	-54.4	172.8	-53.1	0	0	0	0	118.4
606	Y	93.1	Very high	96.3	Very high	64 Å²	64	44 Å²	44	25%	0.251	22%	0.219	S	C	.	.	S	Bend	trans	-74.3	149.7	-177.4	-60.5	-56.9	0	0	0	112.7	I603 E604 F610 Q622 L623 K626 K670	I603-Y606 HydrophobicContact CG2-CD2 4.28Å; E604-Y606 VanDerWaalsContact C-N 3.25Å; E604-Y606 PolarHBondContact O-N 3.4Å; Y606-F610 AromaticContact CD1-CD1 3.37Å; Y606-F610 HydrophobicContact CD1-CD1 3.37Å; Y606-F610 AromaticContact CD1-CE1 3.56Å; Y606-F610 HydrophobicContact CD1-CE1 3.56Å; Y606-F610 AromaticContact CD1-CG 3.95Å; Y606-F610 HydrophobicContact CD1-CG 3.95Å; Y606-F610 HydrophobicContact CD1-CZ 4.28Å; Y606-F610 AromaticContact CD2-CD1 3.89Å; Y606-F610 HydrophobicContact CD2-CD1 3.89Å; Y606-F610 AromaticContact CD2-CE1 3.89Å; Y606-F610 HydrophobicContact CD2-CE1 3.89Å; Y606-F610 AromaticContact CE1-CD1 3.89Å; Y606-F610 HydrophobicContact CE1-CD1 3.89Å; Y606-F610 AromaticContact CE1-CE1 3.55Å; Y606-F610 HydrophobicContact CE1-CE1 3.55Å; Y606-F610 AromaticContact CE1-CZ 3.98Å; Y606-F610 HydrophobicContact CE1-CZ 3.98Å; Y606-F610 HydrophobicContact CE2-CD1 4.34Å; Y606-F610 AromaticContact CE2-CE1 3.87Å; Y606-F610 HydrophobicContact CE2-CE1 3.87Å; Y606-F610 AromaticContact CG-CD1 3.38Å; Y606-F610 HydrophobicContact CG-CD1 3.38Å; Y606-F610 AromaticContact CG-CE1 3.74Å; Y606-F610 HydrophobicContact CG-CE1 3.74Å; Y606-F610 HydrophobicContact CG-CG 4.24Å; Y606-F610 AromaticContact CZ-CE1 3.72Å; Y606-Q622 WeakPolarHBondContact CE2-O 3.48Å; Y606-Q622 PolarHBondContact OH-O 3.01Å; Y606-L623 HydrophobicContact CD2-CD2 3.88Å; Y606-L623 HydrophobicContact CE2-CD2 4.2Å; Y606-K626 HydrophobicContact CD2-CB 4.15Å; Y606-K626 HydrophobicContact CD2-CG 3.85Å; Y606-K626 HydrophobicContact CE2-CB 4.01Å; Y606-K626 HydrophobicContact CE2-CG 3.31Å; Y606-K670 PolarHBondContact O-NZ 2.82Å
607	D	93.3	Very high	96.2	Very high	100 Å²	100	46.5 Å²	46.5	54%	0.535	24%	0.237	S	C	.	.			trans	-77.8	-178.8	171.5	66.6	62.6	0	0	0	112.9	H609 F610 V611	D607-H609 VanDerWaalsContact OD1-CA 3.3Å; D607-H609 WeakPolarHBondContact OD1-CA 3.14Å; D607-H609 VanDerWaalsContact OD1-CB 3.26Å; D607-H609 WeakPolarHBondContact OD1-CB 3.25Å; D607-H609 PolarHBondContact OD1-N 2.97Å; D607-F610 PolarHBondContact OD1-N 2.6Å; D607-V611 WeakPolarHBondContact O-CG2 3.49Å; D607-V611 PolarHBondContact O-N 2.87Å
608	L	94.1	Very high	96.1	Very high	53 Å²	53	52.7 Å²	52.7	28%	0.277	27%	0.27	S	S	.	.	H	α-helix	trans	-67.1	-35.5	179.5	178.4	66.4	0	0	0	113.5	K612 K668 K670	L608-K612 HydrophobicContact CD1-CG 4.5Å; L608-K612 WeakPolarHBondContact O-CG 3.12Å; L608-K612 PolarHBondContact O-N 3.04Å; L608-K668 HydrophobicContact CD2-CB 3.82Å; L608-K668 HydrophobicContact CD2-CD 4.41Å; L608-K670 HydrophobicContact CD1-CB 4.18Å; L608-K670 HydrophobicContact CD1-CG 4.14Å
609	H	94.4	Very high	95.9	Very high	150 Å²	150	55.9 Å²	55.9	69%	0.694	29%	0.285	S	S	*	.	H	α-helix	trans	-72.1	-46.5	-177.5	-175.9	-83.3	0	0	0	110.7	D607 V611 K612 F613	D607-H609 VanDerWaalsContact OD1-CA 3.3Å; D607-H609 WeakPolarHBondContact OD1-CA 3.14Å; D607-H609 VanDerWaalsContact OD1-CB 3.26Å; D607-H609 WeakPolarHBondContact OD1-CB 3.25Å; D607-H609 PolarHBondContact OD1-N 2.97Å; H609-V611 PolarHBondContact O-N 3.1Å; H609-K612 PolarHBondContact O-N 2.84Å; H609-F613 WeakPolarHBondContact O-CB 3.19Å; H609-F613 PolarHBondContact O-N 3.48Å
610	F	96.5	Very high	95.8	Very high	58 Å²	58	56.3 Å²	56.3	25%	0.254	29%	0.287	S	S	.	.	H	α-helix	trans	-61.2	-43.6	175.2	-174.6	-88.6	0	0	0	111.9	Y606 D607 K612 F613 A614 L623	Y606-F610 AromaticContact CD1-CD1 3.37Å; Y606-F610 HydrophobicContact CD1-CD1 3.37Å; Y606-F610 AromaticContact CD1-CE1 3.56Å; Y606-F610 HydrophobicContact CD1-CE1 3.56Å; Y606-F610 AromaticContact CD1-CG 3.95Å; Y606-F610 HydrophobicContact CD1-CG 3.95Å; Y606-F610 HydrophobicContact CD1-CZ 4.28Å; Y606-F610 AromaticContact CD2-CD1 3.89Å; Y606-F610 HydrophobicContact CD2-CD1 3.89Å; Y606-F610 AromaticContact CD2-CE1 3.89Å; Y606-F610 HydrophobicContact CD2-CE1 3.89Å; Y606-F610 AromaticContact CE1-CD1 3.89Å; Y606-F610 HydrophobicContact CE1-CD1 3.89Å; Y606-F610 AromaticContact CE1-CE1 3.55Å; Y606-F610 HydrophobicContact CE1-CE1 3.55Å; Y606-F610 AromaticContact CE1-CZ 3.98Å; Y606-F610 HydrophobicContact CE1-CZ 3.98Å; Y606-F610 HydrophobicContact CE2-CD1 4.34Å; Y606-F610 AromaticContact CE2-CE1 3.87Å; Y606-F610 HydrophobicContact CE2-CE1 3.87Å; Y606-F610 AromaticContact CG-CD1 3.38Å; Y606-F610 HydrophobicContact CG-CD1 3.38Å; Y606-F610 AromaticContact CG-CE1 3.74Å; Y606-F610 HydrophobicContact CG-CE1 3.74Å; Y606-F610 HydrophobicContact CG-CG 4.24Å; Y606-F610 AromaticContact CZ-CE1 3.72Å; D607-F610 PolarHBondContact OD1-N 2.6Å; F610-K612 PolarHBondContact O-N 2.98Å; F610-F613 PolarHBondContact O-N 3.03Å; F610-A614 HydrophobicContact CE1-CB 4.47Å; F610-A614 WeakPolarHBondContact O-CB 3.48Å; F610-A614 PolarHBondContact O-N 2.84Å; F610-L623 HydrophobicContact CD1-CD2 4.1Å; F610-L623 HydrophobicContact CE1-CD2 3.92Å
611	V	97.1	Very high	95.7	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-40	176.8	170.9	0	0	0	0	111.8	I603 D607 H609 I615 L623 K670 P671	I603-V611 HydrophobicContact CD1-CG1 4.15Å; I603-V611 HydrophobicContact CG2-CG2 4.15Å; D607-V611 WeakPolarHBondContact O-CG2 3.49Å; D607-V611 PolarHBondContact O-N 2.87Å; H609-V611 PolarHBondContact O-N 3.1Å; V611-I615 HydrophobicContact CG1-CD1 3.96Å; V611-I615 VanDerWaalsContact O-CD1 3.26Å; V611-I615 WeakPolarHBondContact O-CD1 3.41Å; V611-I615 WeakPolarHBondContact O-CG1 3.48Å; V611-I615 PolarHBondContact O-N 2.9Å; V611-L623 HydrophobicContact CG1-CD1 4.28Å; V611-L623 HydrophobicContact CG2-CD2 4.03Å; V611-K670 HydrophobicContact CB-CD 4.2Å; V611-K670 HydrophobicContact CB-CG 4.03Å; V611-K670 HydrophobicContact CG1-CG 4.11Å; V611-K670 HydrophobicContact CG2-CD 3.73Å; V611-K670 HydrophobicContact CG2-CG 4.05Å; V611-P671 HydrophobicContact CG1-CB 3.91Å; V611-P671 HydrophobicContact CG1-CG 4.01Å
612	K	95.7	Very high	95.5	Very high	62 Å²	62	64 Å²	64	27%	0.27	32%	0.322	S	S	.	.	H	α-helix	trans	-66.3	-50.2	174.1	-74.8	-165.7	173.3	-161.6	0	111.7	L608 H609 F610 A614 I615 D616 Y662	L608-K612 HydrophobicContact CD1-CG 4.5Å; L608-K612 WeakPolarHBondContact O-CG 3.12Å; L608-K612 PolarHBondContact O-N 3.04Å; H609-K612 PolarHBondContact O-N 2.84Å; F610-K612 PolarHBondContact O-N 2.98Å; K612-A614 VanDerWaalsContact C-N 3.29Å; K612-A614 PolarHBondContact O-N 3.46Å; K612-I615 WeakPolarHBondContact O-CA 3.48Å; K612-I615 WeakPolarHBondContact O-CB 3.34Å; K612-I615 PolarHBondContact O-N 3.09Å; K612-D616 WeakPolarHBondContact O-CB 3.28Å; K612-D616 PolarHBondContact O-N 2.95Å; K612-Y662 PolarHBondContact NZ-O 3.24Å; K612-Y662 VanDerWaalsContact NZ-O 3.13Å
613	F	96.6	Very high	95.5	Very high	100 Å²	100	63.3 Å²	63.3	44%	0.439	32%	0.32	S	S	.	.	H	α-helix	trans	-51.9	-44.1	176.5	172.7	-95.3	0	0	0	113.3	H609 F610 I615 D616 S617	H609-F613 WeakPolarHBondContact O-CB 3.19Å; H609-F613 PolarHBondContact O-N 3.48Å; F610-F613 PolarHBondContact O-N 3.03Å; F613-I615 VanDerWaalsContact C-N 3.31Å; F613-I615 PolarHBondContact O-N 2.83Å; F613-D616 PolarHBondContact O-N 3.05Å; F613-S617 VanDerWaalsContact O-CB 3.22Å; F613-S617 WeakPolarHBondContact O-CB 3.5Å; F613-S617 PolarHBondContact O-N 2.93Å; F613-S617 PolarHBondContact O-OG 2.69Å
614	A	97.2	Very high	95.4	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-70.1	-24.1	178.5	0	0	0	0	0	113.6	F610 K612 Q619 L623	F610-A614 HydrophobicContact CE1-CB 4.47Å; F610-A614 WeakPolarHBondContact O-CB 3.48Å; F610-A614 PolarHBondContact O-N 2.84Å; K612-A614 VanDerWaalsContact C-N 3.29Å; K612-A614 PolarHBondContact O-N 3.46Å; A614-Q619 CarbonylContact O-C 3.57Å; A614-Q619 WeakPolarHBondContact O-CA 3.27Å; A614-Q619 PolarHBondContact O-N 3.21Å; A614-L623 HydrophobicContact CB-CD1 4.04Å; A614-L623 HydrophobicContact CB-CD2 3.91Å; A614-L623 HydrophobicContact CB-CG 3.97Å
615	I	96.6	Very high	95.5	Very high	22 Å²	22	70 Å²	70	11%	0.113	35%	0.348	C	S	.	.	H	α-helix	trans	-80.7	-48.9	171.5	-62.2	159.6	0	0	0	110.1	V611 K612 F613 S617 D618 L620 L623 A650 P651 Y662 P671	V611-I615 HydrophobicContact CG1-CD1 3.96Å; V611-I615 VanDerWaalsContact O-CD1 3.26Å; V611-I615 WeakPolarHBondContact O-CD1 3.41Å; V611-I615 WeakPolarHBondContact O-CG1 3.48Å; V611-I615 PolarHBondContact O-N 2.9Å; K612-I615 WeakPolarHBondContact O-CA 3.48Å; K612-I615 WeakPolarHBondContact O-CB 3.34Å; K612-I615 PolarHBondContact O-N 3.09Å; F613-I615 VanDerWaalsContact C-N 3.31Å; F613-I615 PolarHBondContact O-N 2.83Å; I615-S617 PolarHBondContact O-N 2.88Å; I615-S617 VanDerWaalsContact O-N 3.17Å; I615-D618 PolarHBondContact O-N 2.98Å; I615-L620 HydrophobicContact CB-CD2 4.3Å; I615-L620 HydrophobicContact CG1-CD2 3.9Å; I615-L620 HydrophobicContact CG2-CD2 4.47Å; I615-L623 HydrophobicContact CG1-CD1 4.25Å; I615-A650 HydrophobicContact CG2-CB 4.14Å; I615-P651 HydrophobicContact CD1-CG 3.77Å; I615-P651 HydrophobicContact CG1-CG 4.09Å; I615-Y662 HydrophobicContact CD1-CE2 4.15Å; I615-Y662 HydrophobicContact CG2-CE2 4.02Å; I615-P671 HydrophobicContact CD1-CB 3.73Å; I615-P671 HydrophobicContact CD1-CG 3.9Å
616	D	96.6	Very high	95.7	Very high	127 Å²	127	67.8 Å²	67.8	68%	0.679	33%	0.326	S	S	*	.	H	α-helix	trans	-64.1	-20.7	-177.9	-59.8	-32.4	0	0	0	112.3	K612 F613	K612-D616 WeakPolarHBondContact O-CB 3.28Å; K612-D616 PolarHBondContact O-N 2.95Å; F613-D616 PolarHBondContact O-N 3.05Å
617	S	97.1	Very high	96	Very high	52 Å²	52	64.8 Å²	64.8	36%	0.364	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	5.6	176.3	-46.8	0	0	0	0	114.5	F613 I615 Q619	F613-S617 VanDerWaalsContact O-CB 3.22Å; F613-S617 WeakPolarHBondContact O-CB 3.5Å; F613-S617 PolarHBondContact O-N 2.93Å; F613-S617 PolarHBondContact O-OG 2.69Å; I615-S617 PolarHBondContact O-N 2.88Å; I615-S617 VanDerWaalsContact O-N 3.17Å; S617-Q619 WeakPolarHBondContact O-CG 3.46Å; S617-Q619 PolarHBondContact O-N 3.25Å
618	D	95.7	Very high	96.2	Very high	129 Å²	129	60.4 Å²	60.4	69%	0.69	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	30.1	-173.2	-159.4	30.3	0	0	0	115.2	I615 L620	I615-D618 PolarHBondContact O-N 2.98Å; D618-L620 VanDerWaalsContact C-N 3.26Å; D618-L620 PolarHBondContact O-N 2.65Å
619	Q	96.4	Very high	96.4	Very high	68 Å²	68	57.9 Å²	57.9	32%	0.318	28%	0.277	S	S	.	.			trans	-94.2	36.7	178	-61.7	-172.9	0.2	0	0	112	A614 S617 H621 Q622	A614-Q619 CarbonylContact O-C 3.57Å; A614-Q619 WeakPolarHBondContact O-CA 3.27Å; A614-Q619 PolarHBondContact O-N 3.21Å; S617-Q619 WeakPolarHBondContact O-CG 3.46Å; S617-Q619 PolarHBondContact O-N 3.25Å; Q619-H621 PolarHBondContact O-N 2.78Å; Q619-Q622 HydrophobicContact CB-CG 4.4Å; Q619-Q622 WeakPolarHBondContact O-CB 3.22Å; Q619-Q622 PolarHBondContact O-N 2.9Å
620	L	96.1	Very high	96.5	Very high	10 Å²	10	52.1 Å²	52.1	5%	0.052	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-32.1	-173.8	-60.9	-179.6	0	0	0	113.7	I615 D618 Q622 L623 W624 W673	I615-L620 HydrophobicContact CB-CD2 4.3Å; I615-L620 HydrophobicContact CG1-CD2 3.9Å; I615-L620 HydrophobicContact CG2-CD2 4.47Å; D618-L620 VanDerWaalsContact C-N 3.26Å; D618-L620 PolarHBondContact O-N 2.65Å; L620-Q622 PolarHBondContact O-N 3.49Å; L620-L623 WeakPolarHBondContact O-CB 3.28Å; L620-L623 PolarHBondContact O-N 3.25Å; L620-W624 VanDerWaalsContact O-CD1 3.3Å; L620-W624 PolarHBondContact O-NE1 3.16Å; L620-W673 HydrophobicContact CB-CH2 4.28Å; L620-W673 HydrophobicContact CB-CZ2 4.2Å; L620-W673 HydrophobicContact CD1-CZ2 4.46Å; L620-W673 HydrophobicContact CD2-CH2 4.44Å; L620-W673 HydrophobicContact CD2-CZ2 4.16Å
621	H	95.3	Very high	96.5	Very high	105 Å²	105	52 Å²	52	49%	0.486	25%	0.253	S	S	.	.	H	α-helix	trans	-57.3	-31.9	179	63.7	-91.4	0	0	0	113.7	Q619 L623 W624	Q619-H621 PolarHBondContact O-N 2.78Å; H621-L623 PolarHBondContact O-N 2.97Å; H621-W624 HydrophobicContact CB-CD2 4.21Å; H621-W624 HydrophobicContact CB-CE3 4.05Å; H621-W624 HydrophobicContact CB-CH2 4.22Å; H621-W624 HydrophobicContact CB-CZ2 4.37Å; H621-W624 HydrophobicContact CB-CZ3 4.06Å; H621-W624 WeakPolarHBondContact O-CB 3.48Å; H621-W624 PolarHBondContact O-N 2.98Å
622	Q	95.1	Very high	96.5	Very high	59 Å²	59	52.1 Å²	52.1	28%	0.276	25%	0.254	S	S	.	.	H	α-helix	trans	-66	-23.9	178.4	-60.6	178.9	11.7	0	0	112.3	Y606 Q619 L620	Y606-Q622 WeakPolarHBondContact CE2-O 3.48Å; Y606-Q622 PolarHBondContact OH-O 3.01Å; Q619-Q622 HydrophobicContact CB-CG 4.4Å; Q619-Q622 WeakPolarHBondContact O-CB 3.22Å; Q619-Q622 PolarHBondContact O-N 2.9Å; L620-Q622 PolarHBondContact O-N 3.49Å
623	L	96.7	Very high	96.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-84.6	-20.7	-179.9	-54.3	-179.5	0	0	0	112.5	I603 Y606 F610 V611 A614 I615 L620 H621 E625 K626 D627 W673	I603-L623 HydrophobicContact CD1-CB 4.18Å; I603-L623 HydrophobicContact CD1-CD1 4.01Å; I603-L623 HydrophobicContact CG2-CB 4.46Å; Y606-L623 HydrophobicContact CD2-CD2 3.88Å; Y606-L623 HydrophobicContact CE2-CD2 4.2Å; F610-L623 HydrophobicContact CD1-CD2 4.1Å; F610-L623 HydrophobicContact CE1-CD2 3.92Å; V611-L623 HydrophobicContact CG1-CD1 4.28Å; V611-L623 HydrophobicContact CG2-CD2 4.03Å; A614-L623 HydrophobicContact CB-CD1 4.04Å; A614-L623 HydrophobicContact CB-CD2 3.91Å; A614-L623 HydrophobicContact CB-CG 3.97Å; I615-L623 HydrophobicContact CG1-CD1 4.25Å; L620-L623 WeakPolarHBondContact O-CB 3.28Å; L620-L623 PolarHBondContact O-N 3.25Å; H621-L623 PolarHBondContact O-N 2.97Å; L623-E625 PolarHBondContact O-N 2.87Å; L623-K626 PolarHBondContact O-N 2.82Å; L623-K626 VanDerWaalsContact O-N 3.11Å; L623-D627 PolarHBondContact O-N 2.81Å; L623-D627 VanDerWaalsContact O-N 3.15Å; L623-W673 HydrophobicContact CB-CH2 3.87Å; L623-W673 HydrophobicContact CB-CZ3 3.72Å; L623-W673 HydrophobicContact CD1-CH2 4.07Å; L623-W673 HydrophobicContact CD1-CZ3 4.35Å
624	W	95.6	Very high	96.2	Very high	80 Å²	80	53.7 Å²	53.7	30%	0.303	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-36.5	-171.8	-65.6	-10.1	0	0	0	113.5	L620 H621 K626 D627 N630 W673	L620-W624 VanDerWaalsContact O-CD1 3.3Å; L620-W624 PolarHBondContact O-NE1 3.16Å; H621-W624 HydrophobicContact CB-CD2 4.21Å; H621-W624 HydrophobicContact CB-CE3 4.05Å; H621-W624 HydrophobicContact CB-CH2 4.22Å; H621-W624 HydrophobicContact CB-CZ2 4.37Å; H621-W624 HydrophobicContact CB-CZ3 4.06Å; H621-W624 WeakPolarHBondContact O-CB 3.48Å; H621-W624 PolarHBondContact O-N 2.98Å; W624-K626 PolarHBondContact O-N 3.03Å; W624-D627 PolarHBondContact O-N 2.93Å; W624-N630 VanDerWaalsContact O-CB 3.28Å; W624-N630 WeakPolarHBondContact O-CB 3.46Å; W624-N630 PolarHBondContact O-ND2 3.15Å; W624-W673 AromaticContact CD1-CH2 3.85Å
625	E	95.3	Very high	96	Very high	135 Å²	135	58.5 Å²	58.5	63%	0.631	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.7	177.4	-69	-166	167.8	0	0	113.5	L623 M631	L623-E625 PolarHBondContact O-N 2.87Å; E625-M631 WeakPolarHBondContact O-CG 3.44Å
626	K	96.7	Very high	96	Very high	50 Å²	50	58.9 Å²	58.9	22%	0.217	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	0.1	-177.7	-45.9	-52.1	178.1	-131.1	0	112.1	I603 E604 Y606 L623 W624 Q628	I603-K626 CarbonylContact C-O 3.59Å; I603-K626 WeakPolarHBondContact CA-O 3.44Å; I603-K626 HydrophobicContact CG2-CB 4.22Å; E604-K626 PolarHBondContact N-O 3.14Å; Y606-K626 HydrophobicContact CD2-CB 4.15Å; Y606-K626 HydrophobicContact CD2-CG 3.85Å; Y606-K626 HydrophobicContact CE2-CB 4.01Å; Y606-K626 HydrophobicContact CE2-CG 3.31Å; L623-K626 PolarHBondContact O-N 2.82Å; L623-K626 VanDerWaalsContact O-N 3.11Å; W624-K626 PolarHBondContact O-N 3.03Å; K626-Q628 PolarHBondContact O-N 2.96Å
627	D	97.7	Very high	95.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-64.6	120.4	165.5	170	-117	0	0	0	109.7	L623 W624 L629 N630 M631 R676	L623-D627 PolarHBondContact O-N 2.81Å; L623-D627 VanDerWaalsContact O-N 3.15Å; W624-D627 PolarHBondContact O-N 2.93Å; D627-L629 PolarHBondContact O-N 3.31Å; D627-L629 VanDerWaalsContact O-N 3.15Å; D627-L629 WeakPolarHBondContact OD1-CB 3.32Å; D627-L629 PolarHBondContact OD1-N 2.85Å; D627-N630 HydrophobicContact CB-CB 4.12Å; D627-N630 WeakPolarHBondContact O-CB 3.19Å; D627-N630 PolarHBondContact O-N 3.02Å; D627-N630 VanDerWaalsContact O-N 3.08Å; D627-N630 VanDerWaalsContact OD1-CG 3.27Å; D627-N630 PolarHBondContact OD1-N 3.15Å; D627-M631 PolarHBondContact O-N 2.81Å; D627-R676 VanDerWaalsContact CG-NH1 3.26Å; D627-R676 IonicContact OD1-CZ 2.78Å; D627-R676 IonicContact OD1-NH1 2.73Å; D627-R676 PolarHBondContact OD1-NH1 3.33Å; D627-R676 VanDerWaalsContact OD1-NH1 3.07Å; D627-R676 IonicContact OD1-NH2 2.67Å; D627-R676 PolarHBondContact OD1-NH2 2.89Å; D627-R676 IonicContact OD2-CZ 3.77Å; D627-R676 IonicContact OD2-NH1 3.8Å; D627-R676 PolarHBondContact OD2-NH1 2.88Å
628	Q	98.2	Very high	95.7	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.037	29%	0.291	C	S	.	.	H	α-helix	trans	-62.6	-23.7	-175.6	-74.5	171.9	-20.2	0	0	113.5	M560 F601 R602 E604 K626 M631 A632	M560-Q628 PolarHBondContact O-NE2 3.03Å; M560-Q628 VanDerWaalsContact O-NE2 3.16Å; F601-Q628 HydrophobicContact CB-CB 4.25Å; F601-Q628 HydrophobicContact CD1-CB 3.74Å; F601-Q628 HydrophobicContact CG-CB 4.47Å; R602-Q628 WeakPolarHBondContact O-CB 3.29Å; R602-Q628 WeakPolarHBondContact O-CG 3.3Å; R602-Q628 PolarHBondContact O-N 2.85Å; E604-Q628 HydrophobicContact CB-CG 4.26Å; E604-Q628 VanDerWaalsContact CD-NE2 3.35Å; E604-Q628 PolarHBondContact OE1-NE2 2.82Å; E604-Q628 WeakPolarHBondContact OE2-CG 3.32Å; E604-Q628 PolarHBondContact OE2-NE2 3.22Å; K626-Q628 PolarHBondContact O-N 2.96Å; Q628-M631 HydrophobicContact CB-CE 4.29Å; Q628-M631 HydrophobicContact CG-CE 3.7Å; Q628-A632 WeakPolarHBondContact O-CB 3.37Å; Q628-A632 PolarHBondContact O-N 3.36Å
629	L	98.1	Very high	95.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-77.4	-38.8	173.6	-175.5	53.6	0	0	0	111.7	W595 L599 F601 D627 A632 K633 L639 R676 L678	W595-L629 HydrophobicContact CH2-CD1 4.23Å; W595-L629 HydrophobicContact CZ3-CD1 4.28Å; L599-L629 HydrophobicContact CD1-CD2 3.94Å; F601-L629 HydrophobicContact CB-CB 3.93Å; F601-L629 HydrophobicContact CD1-CB 4.39Å; F601-L629 HydrophobicContact CD2-CB 3.86Å; F601-L629 HydrophobicContact CD2-CD1 4.04Å; F601-L629 HydrophobicContact CD2-CD2 4.19Å; F601-L629 HydrophobicContact CD2-CG 4.25Å; F601-L629 HydrophobicContact CE2-CB 4.49Å; F601-L629 HydrophobicContact CE2-CD1 3.85Å; F601-L629 HydrophobicContact CG-CB 3.81Å; F601-L629 HydrophobicContact CZ-CD1 4.28Å; D627-L629 PolarHBondContact O-N 3.31Å; D627-L629 VanDerWaalsContact O-N 3.15Å; D627-L629 WeakPolarHBondContact OD1-CB 3.32Å; D627-L629 PolarHBondContact OD1-N 2.85Å; L629-A632 PolarHBondContact O-N 3.47Å; L629-K633 WeakPolarHBondContact O-CG 3.5Å; L629-K633 PolarHBondContact O-N 3.07Å; L629-L639 HydrophobicContact CD1-CD1 3.94Å; L629-R676 HydrophobicContact CD2-CB 4.29Å; L629-R676 HydrophobicContact CD2-CG 4.01Å; L629-L678 HydrophobicContact CD2-CD1 3.84Å; L629-L678 HydrophobicContact CD2-CD2 4.19Å
630	N	96.8	Very high	95.6	Very high	30 Å²	30	56.6 Å²	56.6	16%	0.16	28%	0.28	C	S	.	.	H	α-helix	trans	-60.5	-45.7	169.2	-70	-20.1	0	0	0	111.7	W624 D627 A632 K633 N634	W624-N630 VanDerWaalsContact O-CB 3.28Å; W624-N630 WeakPolarHBondContact O-CB 3.46Å; W624-N630 PolarHBondContact O-ND2 3.15Å; D627-N630 HydrophobicContact CB-CB 4.12Å; D627-N630 WeakPolarHBondContact O-CB 3.19Å; D627-N630 PolarHBondContact O-N 3.02Å; D627-N630 VanDerWaalsContact O-N 3.08Å; D627-N630 VanDerWaalsContact OD1-CG 3.27Å; D627-N630 PolarHBondContact OD1-N 3.15Å; N630-A632 VanDerWaalsContact C-N 3.33Å; N630-A632 PolarHBondContact O-N 2.93Å; N630-K633 PolarHBondContact O-N 3.28Å; N630-K633 WeakPolarHBondContact OD1-CE 3.37Å; N630-K633 PolarHBondContact OD1-NZ 2.96Å; N630-N634 PolarHBondContact O-N 2.94Å
631	M	96.3	Very high	95.4	Very high	55 Å²	55	58.3 Å²	58.3	27%	0.271	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-40.2	173.5	-64.1	-167.2	-66.4	0	0	111.9	E604 E625 D627 Q628 N634 T635	E604-M631 HydrophobicContact CB-CE 3.81Å; E604-M631 HydrophobicContact CG-CE 4.46Å; E625-M631 WeakPolarHBondContact O-CG 3.44Å; D627-M631 PolarHBondContact O-N 2.81Å; Q628-M631 HydrophobicContact CB-CE 4.29Å; Q628-M631 HydrophobicContact CG-CE 3.7Å; M631-N634 PolarHBondContact O-N 2.67Å; M631-T635 WeakPolarHBondContact O-CB 3.35Å; M631-T635 WeakPolarHBondContact O-CG2 3.31Å; M631-T635 PolarHBondContact O-N 3.44Å; M631-T635 VanDerWaalsContact O-N 3.13Å; M631-T635 PolarHBondContact O-OG1 2.77Å
632	A	96.3	Very high	95.5	Very high	3 Å²	3	54.1 Å²	54.1	3%	0.025	28%	0.28	C	S	.	.	H	α-helix	trans	-65.9	-40.4	175.6	0	0	0	0	0	112.9	Q628 L629 N630 N634 T635 W636 L639	Q628-A632 WeakPolarHBondContact O-CB 3.37Å; Q628-A632 PolarHBondContact O-N 3.36Å; L629-A632 PolarHBondContact O-N 3.47Å; N630-A632 VanDerWaalsContact C-N 3.33Å; N630-A632 PolarHBondContact O-N 2.93Å; A632-N634 PolarHBondContact O-N 3.48Å; A632-T635 PolarHBondContact O-N 2.82Å; A632-T635 VanDerWaalsContact O-N 3.17Å; A632-W636 VanDerWaalsContact O-CB 3.22Å; A632-W636 WeakPolarHBondContact O-CB 3.38Å; A632-W636 PolarHBondContact O-N 2.82Å; A632-L639 HydrophobicContact CB-CD1 3.94Å
633	K	95.4	Very high	95.6	Very high	51 Å²	51	55.9 Å²	55.9	22%	0.222	29%	0.288	C	S	.	.	H	α-helix	trans	-58.3	-33	176.8	-77.8	178.2	-63.5	-172.4	0	112.3	L629 N630 L639 E644 L678	L629-K633 WeakPolarHBondContact O-CG 3.5Å; L629-K633 PolarHBondContact O-N 3.07Å; N630-K633 PolarHBondContact O-N 3.28Å; N630-K633 WeakPolarHBondContact OD1-CE 3.37Å; N630-K633 PolarHBondContact OD1-NZ 2.96Å; K633-L639 HydrophobicContact CG-CB 4.4Å; K633-L639 HydrophobicContact CG-CD1 3.97Å; K633-E644 IonicContact NZ-OE2 2.72Å; K633-E644 PolarHBondContact NZ-OE2 3.08Å; K633-L678 HydrophobicContact CD-CD2 4.06Å
634	N	92.1	Very high	95.7	Very high	143 Å²	143	57.2 Å²	57.2	77%	0.765	29%	0.294	S	S	*	.	H	α-helix	trans	-83.3	-28.3	177.9	-66.2	-16.8	0	0	0	113.9	N630 M631 A632	N630-N634 PolarHBondContact O-N 2.94Å; M631-N634 PolarHBondContact O-N 2.67Å; A632-N634 PolarHBondContact O-N 3.48Å
635	T	93.2	Very high	95.7	Very high	102 Å²	102	53.9 Å²	53.9	63%	0.626	28%	0.284	S	S	*	.	H	α-helix	trans	-107.5	-18.9	-170.6	54.2	0	0	0	0	115.1	M631 A632	M631-T635 WeakPolarHBondContact O-CB 3.35Å; M631-T635 WeakPolarHBondContact O-CG2 3.31Å; M631-T635 PolarHBondContact O-N 3.44Å; M631-T635 VanDerWaalsContact O-N 3.13Å; M631-T635 PolarHBondContact O-OG1 2.77Å; A632-T635 PolarHBondContact O-N 2.82Å; A632-T635 VanDerWaalsContact O-N 3.17Å
636	W	95.2	Very high	95.7	Very high	30 Å²	30	51.1 Å²	51.1	11%	0.114	28%	0.278	C	S	.	.			trans	-115.8	107.8	-167.9	-167.9	37.1	0	0	0	112.2	K567 F570 Q571 A632 I638 L639	K567-W636 HydrophobicContact CB-CD2 4.29Å; K567-W636 HydrophobicContact CB-CE3 4.34Å; K567-W636 HydrophobicContact CB-CH2 3.53Å; K567-W636 HydrophobicContact CB-CZ2 3.41Å; K567-W636 VanDerWaalsContact CB-CZ2 3.41Å; K567-W636 HydrophobicContact CB-CZ3 4Å; K567-W636 HydrophobicContact CD-CD2 3.92Å; K567-W636 HydrophobicContact CD-CE3 4.22Å; K567-W636 HydrophobicContact CD-CG 4.18Å; K567-W636 HydrophobicContact CD-CZ2 4.48Å; K567-W636 HydrophobicContact CG-CD2 3.9Å; K567-W636 HydrophobicContact CG-CE3 3.78Å; K567-W636 HydrophobicContact CG-CH2 3.87Å; K567-W636 HydrophobicContact CG-CZ2 3.94Å; K567-W636 HydrophobicContact CG-CZ3 3.79Å; K567-W636 WeakPolarHBondContact O-CH2 3.3Å; F570-W636 HydrophobicContact CB-CH2 4.14Å; F570-W636 AromaticContact CD1-CH2 3.67Å; F570-W636 HydrophobicContact CD1-CH2 3.67Å; F570-W636 AromaticContact CD1-CZ3 3.81Å; F570-W636 HydrophobicContact CD1-CZ3 3.81Å; F570-W636 HydrophobicContact CG-CH2 4.4Å; Q571-W636 HydrophobicContact CG-CZ2 3.8Å; A632-W636 VanDerWaalsContact O-CB 3.22Å; A632-W636 WeakPolarHBondContact O-CB 3.38Å; A632-W636 PolarHBondContact O-N 2.82Å; W636-I638 HydrophobicContact CD2-CG2 3.48Å; W636-I638 VanDerWaalsContact CD2-CG2 3.48Å; W636-I638 VanDerWaalsContact CE2-CG2 3.42Å; W636-I638 HydrophobicContact CE3-CG2 3.63Å; W636-I638 HydrophobicContact CG-CG2 4.18Å; W636-I638 HydrophobicContact CH2-CG2 3.64Å; W636-I638 HydrophobicContact CZ2-CG2 3.53Å; W636-I638 HydrophobicContact CZ3-CG2 3.7Å; W636-I638 PolarHBondContact O-N 3.46Å; W636-L639 HydrophobicContact CD2-CG 4.43Å; W636-L639 HydrophobicContact CE3-CD1 3.73Å; W636-L639 HydrophobicContact CE3-CD2 4.09Å; W636-L639 HydrophobicContact CE3-CG 3.58Å; W636-L639 HydrophobicContact CZ3-CD1 4.27Å; W636-L639 HydrophobicContact CZ3-CD2 4.05Å; W636-L639 HydrophobicContact CZ3-CG 4.07Å; W636-L639 PolarHBondContact O-N 3.32Å
637	P	94.3	Very high	95.7	Very high	106 Å²	106	49 Å²	49	69%	0.688	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-58.2	-24.8	-167.6	-29.9	36.3	0	0	0	116.8	L639 K640	P637-L639 PolarHBondContact O-N 2.87Å; P637-K640 WeakPolarHBondContact O-CB 3.48Å; P637-K640 PolarHBondContact O-N 3.13Å; P637-K640 VanDerWaalsContact O-N 3.12Å
638	I	94.6	Very high	95.6	Very high	44 Å²	44	54.5 Å²	54.5	23%	0.226	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-66.2	-27.3	179.6	-155.6	166.2	0	0	0	112.4	Q571 L574 L588 W636 K640	Q571-I638 HydrophobicContact CG-CD1 3.87Å; L574-I638 HydrophobicContact CD1-CD1 3.54Å; L574-I638 HydrophobicContact CD1-CG1 4.08Å; L588-I638 HydrophobicContact CD1-CG1 4.23Å; W636-I638 HydrophobicContact CD2-CG2 3.48Å; W636-I638 VanDerWaalsContact CD2-CG2 3.48Å; W636-I638 VanDerWaalsContact CE2-CG2 3.42Å; W636-I638 HydrophobicContact CE3-CG2 3.63Å; W636-I638 HydrophobicContact CG-CG2 4.18Å; W636-I638 HydrophobicContact CH2-CG2 3.64Å; W636-I638 HydrophobicContact CZ2-CG2 3.53Å; W636-I638 HydrophobicContact CZ3-CG2 3.7Å; W636-I638 PolarHBondContact O-N 3.46Å; I638-K640 VanDerWaalsContact C-N 3.25Å; I638-K640 PolarHBondContact O-N 2.86Å
639	L	95.6	Very high	95.5	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.016	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-79.1	-5.9	176.8	-60.3	-170.2	0	0	0	113.1	F570 W595 L629 A632 K633 W636 P637 G641 F642	F570-L639 HydrophobicContact CD1-CD2 4.36Å; F570-L639 HydrophobicContact CE1-CD2 3.79Å; W595-L639 HydrophobicContact CE3-CD2 4.28Å; W595-L639 HydrophobicContact CH2-CD2 4.04Å; W595-L639 HydrophobicContact CZ3-CD2 3.47Å; W595-L639 VanDerWaalsContact CZ3-CD2 3.47Å; L629-L639 HydrophobicContact CD1-CD1 3.94Å; A632-L639 HydrophobicContact CB-CD1 3.94Å; K633-L639 HydrophobicContact CG-CB 4.4Å; K633-L639 HydrophobicContact CG-CD1 3.97Å; W636-L639 HydrophobicContact CD2-CG 4.43Å; W636-L639 HydrophobicContact CE3-CD1 3.73Å; W636-L639 HydrophobicContact CE3-CD2 4.09Å; W636-L639 HydrophobicContact CE3-CG 3.58Å; W636-L639 HydrophobicContact CZ3-CD1 4.27Å; W636-L639 HydrophobicContact CZ3-CD2 4.05Å; W636-L639 HydrophobicContact CZ3-CG 4.07Å; W636-L639 PolarHBondContact O-N 3.32Å; P637-L639 PolarHBondContact O-N 2.87Å; L639-G641 PolarHBondContact O-N 3.16Å; L639-G641 VanDerWaalsContact O-N 3.16Å; L639-F642 HydrophobicContact CD2-CD2 4.26Å; L639-F642 WeakPolarHBondContact O-CB 3.43Å; L639-F642 PolarHBondContact O-N 3.16Å
640	K	93	Very high	95.5	Very high	175 Å²	175	56.2 Å²	56.2	76%	0.761	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	121.8	176.5	-172.8	174	-179.1	175.6	0	110.5	P637 I638 K680	P637-K640 WeakPolarHBondContact O-CB 3.48Å; P637-K640 PolarHBondContact O-N 3.13Å; P637-K640 VanDerWaalsContact O-N 3.12Å; I638-K640 VanDerWaalsContact C-N 3.25Å; I638-K640 PolarHBondContact O-N 2.86Å; K640-K680 PolarHBondContact O-NZ 3.08Å
641	G	92.1	Very high	95.6	Very high	45 Å²	45	54.8 Å²	54.8	46%	0.464	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	-2	-177.6	0	0	0	0	0	115.4	L639 K680	L639-G641 PolarHBondContact O-N 3.16Å; L639-G641 VanDerWaalsContact O-N 3.16Å; G641-K680 WeakPolarHBondContact O-CG 3.47Å
642	F	97.4	Very high	95.7	Very high	17 Å²	17	52.2 Å²	52.2	8%	0.075	29%	0.291	C	S	.	.			trans	-75.1	137.1	159.6	-79.1	-88.2	0	0	0	109.6	F570 L588 V593 W595 L639 L678 W679 K680	F570-F642 HydrophobicContact CZ-CE2 4.48Å; F570-F642 HydrophobicContact CZ-CZ 4.22Å; L588-F642 HydrophobicContact CD2-CE2 3.87Å; L588-F642 HydrophobicContact CD2-CZ 3.73Å; V593-F642 HydrophobicContact CG1-CE1 4.33Å; V593-F642 HydrophobicContact CG1-CZ 4.43Å; W595-F642 HydrophobicContact CB-CD1 4.45Å; W595-F642 HydrophobicContact CB-CE1 3.72Å; W595-F642 HydrophobicContact CB-CZ 4.38Å; W595-F642 HydrophobicContact CE3-CD1 4.35Å; W595-F642 HydrophobicContact CE3-CE1 4.29Å; L639-F642 HydrophobicContact CD2-CD2 4.26Å; L639-F642 WeakPolarHBondContact O-CB 3.43Å; L639-F642 PolarHBondContact O-N 3.16Å; F642-L678 HydrophobicContact CD1-CB 4.12Å; F642-W679 CarbonylContact C-O 3.59Å; F642-W679 WeakPolarHBondContact CA-O 3.38Å; F642-K680 HydrophobicContact CD1-CB 3.66Å; F642-K680 HydrophobicContact CD2-CB 4.2Å; F642-K680 HydrophobicContact CD2-CD 3.55Å; F642-K680 HydrophobicContact CE1-CB 3.72Å; F642-K680 HydrophobicContact CE1-CD 4.45Å; F642-K680 HydrophobicContact CE2-CB 4.29Å; F642-K680 HydrophobicContact CE2-CD 3.52Å; F642-K680 HydrophobicContact CG-CB 3.91Å; F642-K680 HydrophobicContact CG-CD 4.09Å; F642-K680 HydrophobicContact CZ-CB 4.06Å; F642-K680 HydrophobicContact CZ-CD 4Å
643	Q	97.6	Very high	95.8	Very high	96 Å²	96	52.7 Å²	52.7	45%	0.449	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	153.2	175.6	-63.7	175.1	111.6	0	0	108.6	L678 W679	Q643-L678 CarbonylContact O-C 3.57Å; Q643-L678 VanDerWaalsContact O-CA 3.23Å; Q643-L678 WeakPolarHBondContact O-CA 3.34Å; Q643-L678 WeakPolarHBondContact O-CB 3.42Å; Q643-W679 HydrophobicContact CB-CD2 3.91Å; Q643-W679 HydrophobicContact CB-CE3 4.14Å; Q643-W679 HydrophobicContact CB-CH2 3.91Å; Q643-W679 HydrophobicContact CB-CZ2 3.66Å; Q643-W679 HydrophobicContact CB-CZ3 4.15Å; Q643-W679 PolarHBondContact N-O 3.14Å; Q643-W679 VanDerWaalsContact NE2-NE1 3.18Å; Q643-W679 PolarHBondContact O-N 2.65Å
644	E	98.3	Very high	95.9	Very high	29 Å²	29	52.3 Å²	52.3	14%	0.136	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	144.6	175	-172.3	176.6	-166	0	0	107.4	K633 R676 L678 Y705	K633-E644 IonicContact NZ-OE2 2.72Å; K633-E644 PolarHBondContact NZ-OE2 3.08Å; E644-R676 IonicContact OE1-CZ 3.57Å; E644-R676 IonicContact OE1-NE 3.7Å; E644-R676 PolarHBondContact OE1-NE 3.25Å; E644-R676 IonicContact OE1-NH2 2.82Å; E644-R676 PolarHBondContact OE1-NH2 2.83Å; E644-R676 IonicContact OE2-CZ 3.78Å; E644-R676 IonicContact OE2-NE 3.94Å; E644-R676 IonicContact OE2-NH2 3.69Å; E644-R676 PolarHBondContact OE2-NH2 3.05Å; E644-L678 HydrophobicContact CB-CD2 4.11Å; E644-L678 HydrophobicContact CB-CG 4.02Å; E644-L678 HydrophobicContact CG-CG 4.14Å; E644-Y705 HydrophobicContact CG-CE1 3.72Å; E644-Y705 PolarHBondContact OE1-OH 2.93Å
645	G	96.4	Very high	96.2	Very high	9 Å²	9	45.5 Å²	45.5	9%	0.093	25%	0.254	C	S	.	.			trans	-68.9	164.9	174.2	0	0	0	0	0	112.5
646	P	94.8	Very high	96.4	Very high	77 Å²	77	42.2 Å²	42.2	50%	0.5	23%	0.233	S	C	.	.			trans	-64.7	138	173.8	30.4	-35.7	0	0	0	110.3	N648	P646-N648 PolarHBondContact O-N 3.38Å
647	L	96.6	Very high	96.5	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.026	26%	0.255	C	S	.	.			trans	-80.5	62.1	-179.9	-63.8	172.8	0	0	0	110.7	F649 W673 Y705	L647-F649 HydrophobicContact CD2-CE1 4.14Å; L647-F649 HydrophobicContact CD2-CE2 4.49Å; L647-F649 HydrophobicContact CD2-CZ 3.81Å; L647-F649 PolarHBondContact O-N 3.41Å; L647-W673 HydrophobicContact CB-CZ2 4.37Å; L647-W673 HydrophobicContact CD1-CB 4.4Å; L647-W673 HydrophobicContact CD1-CD2 3.91Å; L647-W673 HydrophobicContact CD1-CE3 4.14Å; L647-W673 HydrophobicContact CD1-CG 4.04Å; L647-W673 HydrophobicContact CD2-CG 4.36Å; L647-Y705 HydrophobicContact CD2-CE1 3.8Å
648	N	95.3	Very high	96.6	Very high	117 Å²	117	42.5 Å²	42.5	63%	0.626	25%	0.245	S	C	*	.			trans	-81.5	35.1	-179.7	-65.7	-8.1	0	0	0	112.1	P646	P646-N648 PolarHBondContact O-N 3.38Å
649	F	97.4	Very high	96.8	Very high	16 Å²	16	42.7 Å²	42.7	7%	0.07	25%	0.249	C	C	.	.	S	Bend	trans	-149.2	148.5	-179.5	57.3	-93.7	0	0	0	109.6	L647 T652 W673 Y705 S707 V719	L647-F649 HydrophobicContact CD2-CE1 4.14Å; L647-F649 HydrophobicContact CD2-CE2 4.49Å; L647-F649 HydrophobicContact CD2-CZ 3.81Å; L647-F649 PolarHBondContact O-N 3.41Å; F649-T652 HydrophobicContact CD2-CG2 4.31Å; F649-T652 HydrophobicContact CE2-CG2 3.87Å; F649-W673 AromaticContact CE2-CD1 3.73Å; F649-W673 PolarHBondContact O-NE1 3.38Å; F649-Y705 AromaticContact CE1-CD1 3.8Å; F649-Y705 HydrophobicContact CE1-CD1 3.8Å; F649-Y705 HydrophobicContact CE1-CD2 4.09Å; F649-Y705 AromaticContact CE1-CE1 3.98Å; F649-Y705 HydrophobicContact CE1-CE1 3.98Å; F649-Y705 HydrophobicContact CE1-CE2 4.26Å; F649-Y705 AromaticContact CE1-CG 3.88Å; F649-Y705 HydrophobicContact CE1-CG 3.88Å; F649-Y705 HydrophobicContact CZ-CD1 4.4Å; F649-Y705 HydrophobicContact CZ-CD2 4.36Å; F649-Y705 HydrophobicContact CZ-CE1 4.15Å; F649-Y705 HydrophobicContact CZ-CE2 4.1Å; F649-S707 WeakPolarHBondContact CD2-OG 3.26Å; F649-V719 HydrophobicContact CE2-CG1 4.47Å; F649-V719 HydrophobicContact CE2-CG2 4.24Å; F649-V719 HydrophobicContact CZ-CG1 4.06Å
650	A	97.4	Very high	96.8	Very high	28 Å²	28	46.1 Å²	46.1	23%	0.231	27%	0.267	C	S	.	.			trans	-64.1	152.1	-175.3	0	0	0	0	0	112.5	I615 T652 Y662	I615-A650 HydrophobicContact CG2-CB 4.14Å; A650-T652 PolarHBondContact O-N 3.09Å; A650-Y662 WeakPolarHBondContact CB-OH 3.18Å
651	P	98.4	Very high	97	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.261	C	S	.	.			trans	-49.3	133.6	179.1	-32.4	38.7	0	0	0	114.2	I603 I615 F653 Y662 P671 W673	I603-P651 HydrophobicContact CD1-CG 4.41Å; I615-P651 HydrophobicContact CD1-CG 3.77Å; I615-P651 HydrophobicContact CG1-CG 4.09Å; P651-F653 PolarHBondContact O-N 3.04Å; P651-Y662 HydrophobicContact CB-CE1 4.48Å; P651-Y662 VanDerWaalsContact O-CE1 3.29Å; P651-Y662 WeakPolarHBondContact O-CE1 3.09Å; P651-Y662 PolarHBondContact O-OH 3.39Å; P651-P671 HydrophobicContact CB-CB 3.81Å; P651-P671 HydrophobicContact CG-CB 4.21Å; P651-W673 HydrophobicContact CB-CD2 4.39Å; P651-W673 HydrophobicContact CG-CD2 4.03Å; P651-W673 HydrophobicContact CG-CE3 4.3Å; P651-W673 HydrophobicContact CG-CH2 4.12Å; P651-W673 HydrophobicContact CG-CZ2 3.83Å; P651-W673 HydrophobicContact CG-CZ3 4.34Å
652	T	98.6	Very high	97.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.244	C	C	.	.			trans	-80.9	-16.2	-167.1	55.5	0	0	0	0	114.4	F649 A650 F655 A672 T674 D675 H716 K717 V719	F649-T652 HydrophobicContact CD2-CG2 4.31Å; F649-T652 HydrophobicContact CE2-CG2 3.87Å; A650-T652 PolarHBondContact O-N 3.09Å; T652-F655 WeakPolarHBondContact O-CD2 3.46Å; T652-F655 VanDerWaalsContact O-CE2 3.31Å; T652-F655 WeakPolarHBondContact O-CE2 3.25Å; T652-A672 PolarHBondContact N-O 2.82Å; T652-A672 VanDerWaalsContact N-O 3.16Å; T652-T674 PolarHBondContact OG1-N 2.9Å; T652-T674 PolarHBondContact OG1-OG1 3.32Å; T652-D675 WeakPolarHBondContact CB-OD2 3.44Å; T652-D675 HydrophobicContact CG2-CB 4.35Å; T652-D675 PolarHBondContact OG1-N 3.35Å; T652-D675 PolarHBondContact OG1-OD2 2.87Å; T652-H716 CarbonylContact O-C 3.55Å; T652-H716 VanDerWaalsContact O-CA 3.32Å; T652-H716 WeakPolarHBondContact O-CA 3.4Å; T652-K717 PolarHBondContact O-N 2.84Å; T652-V719 HydrophobicContact CG2-CG2 3.41Å; T652-V719 VanDerWaalsContact CG2-CG2 3.41Å
653	F	98.4	Very high	97.1	Very high	14 Å²	14	43.1 Å²	43.1	6%	0.061	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-133.8	150.7	179.1	170.8	-89.9	0	0	0	109.5	P651 R669 P671 A672 T674 H716	P651-F653 PolarHBondContact O-N 3.04Å; F653-R669 HydrophobicContact CE1-CB 4.27Å; F653-P671 CarbonylContact O-C 3.53Å; F653-P671 WeakPolarHBondContact O-CA 3.5Å; F653-A672 PolarHBondContact N-O 2.84Å; F653-A672 VanDerWaalsContact N-O 3.16Å; F653-A672 PolarHBondContact O-N 3.1Å; F653-T674 HydrophobicContact CB-CG2 4.02Å; F653-T674 WeakPolarHBondContact CB-OG1 3.29Å; F653-T674 HydrophobicContact CD1-CG2 4.15Å; F653-T674 HydrophobicContact CG-CG2 4.17Å; F653-H716 AromaticContact CD2-CD2 3.57Å; F653-H716 AromaticContact CD2-CE1 3.55Å; F653-H716 AromaticContact CD2-NE2 3.19Å; F653-H716 WeakPolarHBondContact CD2-NE2 3.35Å; F653-H716 AromaticContact CE2-NE2 3.63Å
654	K	97.4	Very high	96.8	Very high	42 Å²	42	43.1 Å²	43.1	18%	0.183	25%	0.248	C	C	.	.			cis	-110.1	131.5	-6.4	179.8	172.6	161.5	49	0	110	Y662 D663 R669 D715	K654-Y662 CarbonylContact O-C 3.57Å; K654-Y662 VanDerWaalsContact O-CA 3.31Å; K654-Y662 WeakPolarHBondContact O-CA 3.45Å; K654-Y662 WeakPolarHBondContact O-CD1 3.15Å; K654-D663 HydrophobicContact CB-CB 4.13Å; K654-D663 HydrophobicContact CD-CB 4.13Å; K654-D663 HydrophobicContact CG-CB 4.07Å; K654-D663 PolarHBondContact O-N 2.88Å; K654-R669 HydrophobicContact CB-CB 4.14Å; K654-R669 HydrophobicContact CD-CB 4.15Å; K654-R669 HydrophobicContact CD-CG 3.99Å; K654-D715 HydrophobicContact CG-CB 4.06Å; K654-D715 VanDerWaalsContact NZ-CG 3.34Å; K654-D715 IonicContact NZ-OD2 3.24Å; K654-D715 PolarHBondContact NZ-OD2 2.93Å
655	F	98	Very high	96.6	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-97.5	158.7	173.2	-66.4	-83.1	0	0	0	112.7	T652 K661 Y662 M709 D715 K717	T652-F655 WeakPolarHBondContact O-CD2 3.46Å; T652-F655 VanDerWaalsContact O-CE2 3.31Å; T652-F655 WeakPolarHBondContact O-CE2 3.25Å; F655-K661 CarbonylContact C-O 3.58Å; F655-K661 VanDerWaalsContact CA-O 3.3Å; F655-K661 WeakPolarHBondContact CA-O 3.31Å; F655-Y662 HydrophobicContact CD1-CD1 4.22Å; F655-Y662 HydrophobicContact CD1-CE1 4.34Å; F655-Y662 HydrophobicContact CD2-CE1 4.5Å; F655-Y662 AromaticContact CE1-CD1 3.89Å; F655-Y662 HydrophobicContact CE1-CD1 3.89Å; F655-Y662 HydrophobicContact CE1-CD2 4.34Å; F655-Y662 AromaticContact CE1-CE1 3.62Å; F655-Y662 HydrophobicContact CE1-CE1 3.62Å; F655-Y662 HydrophobicContact CE1-CE2 4.1Å; F655-Y662 HydrophobicContact CE1-CG 4.23Å; F655-Y662 AromaticContact CE1-CZ 3.74Å; F655-Y662 HydrophobicContact CE2-CD1 4.44Å; F655-Y662 AromaticContact CE2-CE1 3.81Å; F655-Y662 HydrophobicContact CE2-CE1 3.81Å; F655-Y662 HydrophobicContact CZ-CD1 4.01Å; F655-Y662 AromaticContact CZ-CE1 3.32Å; F655-Y662 HydrophobicContact CZ-CE1 3.32Å; F655-Y662 HydrophobicContact CZ-CE2 4.26Å; F655-Y662 AromaticContact CZ-CZ 3.47Å; F655-Y662 VanDerWaalsContact CZ-CZ 3.47Å; F655-M709 HydrophobicContact CE1-CE 3.84Å; F655-M709 HydrophobicContact CZ-CE 3.71Å; F655-M709 HydrophobicContact CZ-SD 4.3Å; F655-D715 PolarHBondContact N-O 2.83Å; F655-D715 WeakPolarHBondContact O-CB 3.4Å; F655-K717 HydrophobicContact CD2-CG 3.73Å; F655-K717 HydrophobicContact CE2-CB 4.36Å; F655-K717 HydrophobicContact CE2-CG 3.47Å; F655-K717 VanDerWaalsContact CE2-CG 3.47Å; F655-K717 HydrophobicContact CZ-CG 4.11Å
656	D	97.8	Very high	96.1	Very high	33 Å²	33	48.8 Å²	48.8	18%	0.176	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-77.7	123	159	-62.2	-38.5	0	0	0	108.2	T659 K661 D663 T664	D656-T659 WeakPolarHBondContact O-CB 3.42Å; D656-T659 PolarHBondContact O-N 2.93Å; D656-T659 PolarHBondContact O-OG1 3.04Å; D656-K661 PolarHBondContact N-O 3.45Å; D656-D663 WeakPolarHBondContact OD1-CA 3.29Å; D656-T664 PolarHBondContact OD1-N 2.85Å; D656-T664 VanDerWaalsContact OD2-CB 3.29Å; D656-T664 WeakPolarHBondContact OD2-CB 3.14Å; D656-T664 VanDerWaalsContact OD2-CG2 3.23Å; D656-T664 WeakPolarHBondContact OD2-CG2 3.25Å; D656-T664 PolarHBondContact OD2-N 2.9Å; D656-T664 VanDerWaalsContact OD2-N 3.1Å; D656-T664 PolarHBondContact OD2-OG1 2.95Å
657	V	97.4	Very high	95.7	Very high	95 Å²	95	53 Å²	53	58%	0.576	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	140.2	-175.1	179.7	0	0	0	0	111	T659 V713 D715	V657-T659 VanDerWaalsContact C-N 3.28Å; V657-V713 WeakPolarHBondContact CG1-O 3.31Å; V657-D715 HydrophobicContact CG2-CB 4.07Å
658	G	97.1	Very high	95.3	Very high	47 Å²	47	59 Å²	59	49%	0.485	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	0.9	-171.4	0	0	0	0	0	114.1	T712	G658-T712 VanDerWaalsContact C-CB 3.48Å; G658-T712 WeakPolarHBondContact CA-O 3.44Å; G658-T712 PolarHBondContact N-O 2.98Å
659	T	96.9	Very high	95	Very high	48 Å²	48	57.2 Å²	57.2	29%	0.294	32%	0.316	S	S	.	.	S	Bend	trans	-139.3	173.8	-175.5	85.9	0	0	0	0	114.7	D656 V657 K661 K717	D656-T659 WeakPolarHBondContact O-CB 3.42Å; D656-T659 PolarHBondContact O-N 2.93Å; D656-T659 PolarHBondContact O-OG1 3.04Å; V657-T659 VanDerWaalsContact C-N 3.28Å; T659-K661 PolarHBondContact OG1-N 2.57Å; T659-K717 PolarHBondContact O-NZ 2.8Å
660	N	97	Very high	94.9	Very high	76 Å²	76	58.2 Å²	58.2	41%	0.406	32%	0.321	S	S	.	.	S	Bend	trans	-106.2	22.4	167.7	-68.7	-16	0	0	0	112.9	M709 K717	N660-M709 HydrophobicContact CB-CE 3.96Å; N660-M709 PolarHBondContact ND2-O 2.89Å; N660-M709 PolarHBondContact OD1-O 2.94Å; N660-K717 WeakPolarHBondContact OD1-CE 3.34Å; N660-K717 PolarHBondContact OD1-NZ 3.31Å
661	K	96.8	Very high	94.9	Very high	145 Å²	145	56.9 Å²	56.9	63%	0.63	31%	0.31	S	S	*	.	S	Bend	trans	-94.4	134.7	175.1	-63.2	-178.7	179.9	178.4	0	110.5	F655 D656 T659	F655-K661 CarbonylContact C-O 3.58Å; F655-K661 VanDerWaalsContact CA-O 3.3Å; F655-K661 WeakPolarHBondContact CA-O 3.31Å; D656-K661 PolarHBondContact N-O 3.45Å; T659-K661 PolarHBondContact OG1-N 2.57Å
662	Y	97.1	Very high	94.9	Very high	25 Å²	25	57 Å²	57	10%	0.098	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-77	128.8	177.6	-73.4	-72.1	0	0	0	112.9	K612 I615 A650 P651 K654 F655 T664 P671	K612-Y662 PolarHBondContact NZ-O 3.24Å; K612-Y662 VanDerWaalsContact NZ-O 3.13Å; I615-Y662 HydrophobicContact CD1-CE2 4.15Å; I615-Y662 HydrophobicContact CG2-CE2 4.02Å; A650-Y662 WeakPolarHBondContact CB-OH 3.18Å; P651-Y662 HydrophobicContact CB-CE1 4.48Å; P651-Y662 VanDerWaalsContact O-CE1 3.29Å; P651-Y662 WeakPolarHBondContact O-CE1 3.09Å; P651-Y662 PolarHBondContact O-OH 3.39Å; K654-Y662 CarbonylContact O-C 3.57Å; K654-Y662 VanDerWaalsContact O-CA 3.31Å; K654-Y662 WeakPolarHBondContact O-CA 3.45Å; K654-Y662 WeakPolarHBondContact O-CD1 3.15Å; F655-Y662 HydrophobicContact CD1-CD1 4.22Å; F655-Y662 HydrophobicContact CD1-CE1 4.34Å; F655-Y662 HydrophobicContact CD2-CE1 4.5Å; F655-Y662 AromaticContact CE1-CD1 3.89Å; F655-Y662 HydrophobicContact CE1-CD1 3.89Å; F655-Y662 HydrophobicContact CE1-CD2 4.34Å; F655-Y662 AromaticContact CE1-CE1 3.62Å; F655-Y662 HydrophobicContact CE1-CE1 3.62Å; F655-Y662 HydrophobicContact CE1-CE2 4.1Å; F655-Y662 HydrophobicContact CE1-CG 4.23Å; F655-Y662 AromaticContact CE1-CZ 3.74Å; F655-Y662 HydrophobicContact CE2-CD1 4.44Å; F655-Y662 AromaticContact CE2-CE1 3.81Å; F655-Y662 HydrophobicContact CE2-CE1 3.81Å; F655-Y662 HydrophobicContact CZ-CD1 4.01Å; F655-Y662 AromaticContact CZ-CE1 3.32Å; F655-Y662 HydrophobicContact CZ-CE1 3.32Å; F655-Y662 HydrophobicContact CZ-CE2 4.26Å; F655-Y662 AromaticContact CZ-CZ 3.47Å; F655-Y662 VanDerWaalsContact CZ-CZ 3.47Å; Y662-T664 PolarHBondContact O-N 3.24Å; Y662-P671 HydrophobicContact CD1-CB 3.98Å; Y662-P671 HydrophobicContact CD1-CG 3.73Å; Y662-P671 HydrophobicContact CD2-CG 4.4Å; Y662-P671 HydrophobicContact CE1-CB 3.88Å; Y662-P671 HydrophobicContact CE1-CG 4.1Å; Y662-P671 HydrophobicContact CG-CG 3.9Å
663	D	94.6	Very high	94.9	Very high	3 Å²	3	57 Å²	57	2%	0.016	31%	0.31	C	S	.	.			trans	-7.4	97.9	-174.9	-172.6	7	0	0	0	115	K654 D656 S665 R669	K654-D663 HydrophobicContact CB-CB 4.13Å; K654-D663 HydrophobicContact CD-CB 4.13Å; K654-D663 HydrophobicContact CG-CB 4.07Å; K654-D663 PolarHBondContact O-N 2.88Å; D656-D663 WeakPolarHBondContact OD1-CA 3.29Å; D663-S665 WeakPolarHBondContact OD1-CB 3.4Å; D663-S665 PolarHBondContact OD1-N 2.95Å; D663-S665 PolarHBondContact OD1-OG 3.15Å; D663-R669 HydrophobicContact CB-CB 4.37Å; D663-R669 VanDerWaalsContact OD2-CB 3.24Å; D663-R669 WeakPolarHBondContact OD2-CB 3.34Å; D663-R669 WeakPolarHBondContact OD2-CG 3.4Å; D663-R669 PolarHBondContact OD2-N 2.93Å
664	T	91.6	Very high	94.9	Very high	97 Å²	97	56.3 Å²	56.3	60%	0.595	31%	0.307	S	S	*	.			trans	-88.8	-4.2	174.7	60.2	0	0	0	0	113.2	D656 Y662	D656-T664 PolarHBondContact OD1-N 2.85Å; D656-T664 VanDerWaalsContact OD2-CB 3.29Å; D656-T664 WeakPolarHBondContact OD2-CB 3.14Å; D656-T664 VanDerWaalsContact OD2-CG2 3.23Å; D656-T664 WeakPolarHBondContact OD2-CG2 3.25Å; D656-T664 PolarHBondContact OD2-N 2.9Å; D656-T664 VanDerWaalsContact OD2-N 3.1Å; D656-T664 PolarHBondContact OD2-OG1 2.95Å; Y662-T664 PolarHBondContact O-N 3.24Å
665	S	92.7	Very high	95	Very high	47 Å²	47	54.3 Å²	54.3	33%	0.329	30%	0.299	S	S	.	.	S	Bend	trans	-62.7	164.6	178.6	82.2	0	0	0	0	112.2	D663 K667 K668	D663-S665 WeakPolarHBondContact OD1-CB 3.4Å; D663-S665 PolarHBondContact OD1-N 2.95Å; D663-S665 PolarHBondContact OD1-OG 3.15Å; S665-K667 PolarHBondContact O-N 2.99Å; S665-K667 PolarHBondContact OG-N 2.84Å; S665-K668 WeakPolarHBondContact O-CG 3.46Å; S665-K668 PolarHBondContact O-N 2.93Å
666	A	86	Confident	95	Very high	109 Å²	109	54.3 Å²	54.3	90%	0.901	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-15	176.2	0	0	0	0	0	114.6
667	K	87.3	Confident	95.1	Very high	167 Å²	167	52.7 Å²	52.7	73%	0.726	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-17.4	176.7	-67.5	171.8	-177.5	166	0	113.7	S665 R669	S665-K667 PolarHBondContact O-N 2.99Å; S665-K667 PolarHBondContact OG-N 2.84Å; K667-R669 VanDerWaalsContact C-N 3.26Å; K667-R669 PolarHBondContact O-N 2.84Å
668	K	87.1	Confident	95.2	Very high	131 Å²	131	48.2 Å²	48.2	57%	0.57	26%	0.263	S	S	*	.			trans	34.2	53.1	176.2	-58.6	-171	178.9	-179.9	0	113.7	L608 S665 K670	L608-K668 HydrophobicContact CD2-CB 3.82Å; L608-K668 HydrophobicContact CD2-CD 4.41Å; S665-K668 WeakPolarHBondContact O-CG 3.46Å; S665-K668 PolarHBondContact O-N 2.93Å; K668-K670 PolarHBondContact O-N 2.94Å
669	R	90.7	Very high	95.2	Very high	78 Å²	78	46.8 Å²	46.8	29%	0.294	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-58.5	125.8	-175.4	-67.4	-69.8	-160	146.1	10.5	109.6	H559 F653 K654 D663 K667	H559-R669 PolarHBondContact CE1-NH1 3.06Å; H559-R669 PolarHBondContact CE1-NH2 3.33Å; H559-R669 VanDerWaalsContact CE1-NH2 3.33Å; H559-R669 PolarHBondContact ND1-NH1 2.97Å; H559-R669 PolarHBondContact NE2-NH2 3.24Å; F653-R669 HydrophobicContact CE1-CB 4.27Å; K654-R669 HydrophobicContact CB-CB 4.14Å; K654-R669 HydrophobicContact CD-CB 4.15Å; K654-R669 HydrophobicContact CD-CG 3.99Å; D663-R669 HydrophobicContact CB-CB 4.37Å; D663-R669 VanDerWaalsContact OD2-CB 3.24Å; D663-R669 WeakPolarHBondContact OD2-CB 3.34Å; D663-R669 WeakPolarHBondContact OD2-CG 3.4Å; D663-R669 PolarHBondContact OD2-N 2.93Å; K667-R669 VanDerWaalsContact C-N 3.26Å; K667-R669 PolarHBondContact O-N 2.84Å
670	K	94.8	Very high	95.2	Very high	38 Å²	38	46.4 Å²	46.4	17%	0.165	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-60.1	133.9	177.2	-163.2	173.1	76.8	178.9	0	110.7	I603 Y606 L608 V611 K668	I603-K670 WeakPolarHBondContact O-CE 3.4Å; I603-K670 PolarHBondContact O-NZ 3.21Å; Y606-K670 PolarHBondContact O-NZ 2.82Å; L608-K670 HydrophobicContact CD1-CB 4.18Å; L608-K670 HydrophobicContact CD1-CG 4.14Å; V611-K670 HydrophobicContact CB-CD 4.2Å; V611-K670 HydrophobicContact CB-CG 4.03Å; V611-K670 HydrophobicContact CG1-CG 4.11Å; V611-K670 HydrophobicContact CG2-CD 3.73Å; V611-K670 HydrophobicContact CG2-CG 4.05Å; K668-K670 PolarHBondContact O-N 2.94Å
671	P	97.8	Very high	95.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-55.6	148.8	176.4	-26.6	34.3	0	0	0	113.2	V611 I615 P651 F653 Y662	V611-P671 HydrophobicContact CG1-CB 3.91Å; V611-P671 HydrophobicContact CG1-CG 4.01Å; I615-P671 HydrophobicContact CD1-CB 3.73Å; I615-P671 HydrophobicContact CD1-CG 3.9Å; P651-P671 HydrophobicContact CB-CB 3.81Å; P651-P671 HydrophobicContact CG-CB 4.21Å; F653-P671 CarbonylContact O-C 3.53Å; F653-P671 WeakPolarHBondContact O-CA 3.5Å; Y662-P671 HydrophobicContact CD1-CB 3.98Å; Y662-P671 HydrophobicContact CD1-CG 3.73Å; Y662-P671 HydrophobicContact CD2-CG 4.4Å; Y662-P671 HydrophobicContact CE1-CB 3.88Å; Y662-P671 HydrophobicContact CE1-CG 4.1Å; Y662-P671 HydrophobicContact CG-CG 3.9Å
672	A	98.1	Very high	94.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-157.1	149.5	178.7	0	0	0	0	0	112.3	R602 T652 F653 T674	R602-A672 HydrophobicContact CB-CB 4.47Å; T652-A672 PolarHBondContact N-O 2.82Å; T652-A672 VanDerWaalsContact N-O 3.16Å; F653-A672 PolarHBondContact N-O 2.84Å; F653-A672 VanDerWaalsContact N-O 3.16Å; F653-A672 PolarHBondContact O-N 3.1Å; A672-T674 VanDerWaalsContact C-N 3.33Å; A672-T674 HydrophobicContact CB-CG2 4.1Å; A672-T674 PolarHBondContact O-N 3.31Å
673	W	98.6	Very high	93.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.239	C	C	.	.			trans	-82.3	80.1	165.6	-65.9	-82.8	0	0	0	109.4	I603 L620 L623 W624 L647 F649 P651 R676	I603-W673 HydrophobicContact CD1-CE3 3.91Å; I603-W673 HydrophobicContact CD1-CZ3 3.69Å; I603-W673 HydrophobicContact CG1-CE3 4.13Å; I603-W673 HydrophobicContact CG1-CZ3 4.17Å; L620-W673 HydrophobicContact CB-CH2 4.28Å; L620-W673 HydrophobicContact CB-CZ2 4.2Å; L620-W673 HydrophobicContact CD1-CZ2 4.46Å; L620-W673 HydrophobicContact CD2-CH2 4.44Å; L620-W673 HydrophobicContact CD2-CZ2 4.16Å; L623-W673 HydrophobicContact CB-CH2 3.87Å; L623-W673 HydrophobicContact CB-CZ3 3.72Å; L623-W673 HydrophobicContact CD1-CH2 4.07Å; L623-W673 HydrophobicContact CD1-CZ3 4.35Å; W624-W673 AromaticContact CD1-CH2 3.85Å; L647-W673 HydrophobicContact CB-CZ2 4.37Å; L647-W673 HydrophobicContact CD1-CB 4.4Å; L647-W673 HydrophobicContact CD1-CD2 3.91Å; L647-W673 HydrophobicContact CD1-CE3 4.14Å; L647-W673 HydrophobicContact CD1-CG 4.04Å; L647-W673 HydrophobicContact CD2-CG 4.36Å; F649-W673 AromaticContact CE2-CD1 3.73Å; F649-W673 PolarHBondContact O-NE1 3.38Å; P651-W673 HydrophobicContact CB-CD2 4.39Å; P651-W673 HydrophobicContact CG-CD2 4.03Å; P651-W673 HydrophobicContact CG-CE3 4.3Å; P651-W673 HydrophobicContact CG-CH2 4.12Å; P651-W673 HydrophobicContact CG-CZ2 3.83Å; P651-W673 HydrophobicContact CG-CZ3 4.34Å; W673-R676 WeakPolarHBondContact O-CD 3.1Å; W673-R676 PolarHBondContact O-NH1 3.28Å
674	T	98.7	Very high	92.4	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.261	C	S	.	.			trans	-78.4	-33.9	178.1	39.5	0	0	0	0	112.6	D598 L599 N600 T652 F653 A672 H716	D598-T674 WeakPolarHBondContact OD1-CB 3.21Å; L599-T674 PolarHBondContact N-O 3.27Å; N600-T674 PolarHBondContact N-O 2.85Å; T652-T674 PolarHBondContact OG1-N 2.9Å; T652-T674 PolarHBondContact OG1-OG1 3.32Å; F653-T674 HydrophobicContact CB-CG2 4.02Å; F653-T674 WeakPolarHBondContact CB-OG1 3.29Å; F653-T674 HydrophobicContact CD1-CG2 4.15Å; F653-T674 HydrophobicContact CG-CG2 4.17Å; A672-T674 VanDerWaalsContact C-N 3.33Å; A672-T674 HydrophobicContact CB-CG2 4.1Å; A672-T674 PolarHBondContact O-N 3.31Å; T674-H716 PolarHBondContact OG1-CE1 2.85Å; T674-H716 PolarHBondContact OG1-ND1 2.71Å
675	D	98.9	Very high	90.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	117.4	-172.2	-49	-102.2	0	0	0	108.5	T424 G597 T652 H716 V719	T424-D675 HydrophobicContact CG2-CB 4.18Å; G597-D675 WeakPolarHBondContact O-CA 3.24Å; T652-D675 WeakPolarHBondContact CB-OD2 3.44Å; T652-D675 HydrophobicContact CG2-CB 4.35Å; T652-D675 PolarHBondContact OG1-N 3.35Å; T652-D675 PolarHBondContact OG1-OD2 2.87Å; D675-H716 VanDerWaalsContact CG-ND1 3.34Å; D675-H716 IonicContact OD1-CE1 3.39Å; D675-H716 IonicContact OD1-CG 2.71Å; D675-H716 IonicContact OD1-ND1 3.88Å; D675-H716 PolarHBondContact OD1-ND1 2.96Å; D675-H716 VanDerWaalsContact OD1-ND1 3.08Å; D675-H716 IonicContact OD2-CE1 3.5Å; D675-H716 IonicContact OD2-CG 3.79Å; D675-H716 IonicContact OD2-ND1 3.07Å; D675-H716 PolarHBondContact OD2-ND1 2.85Å; D675-V719 HydrophobicContact CB-CG2 3.87Å
676	R	98.9	Very high	88.4	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	153.4	-164.6	-51.8	-66.7	-86	-91.2	-3.1	112.2	F596 G597 L599 D627 L629 E644 W673 L678 Y705	F596-R676 CarbonylContact C-O 3.58Å; F596-R676 WeakPolarHBondContact CA-O 3.21Å; F596-R676 VanDerWaalsContact CB-O 3.25Å; F596-R676 WeakPolarHBondContact CB-O 3.41Å; G597-R676 PolarHBondContact N-O 3.44Å; G597-R676 VanDerWaalsContact N-O 3.09Å; G597-R676 PolarHBondContact O-N 2.64Å; L599-R676 HydrophobicContact CB-CG 4.49Å; L599-R676 HydrophobicContact CD1-CB 3.85Å; L599-R676 HydrophobicContact CD1-CG 4.38Å; L599-R676 HydrophobicContact CG-CB 4.16Å; D627-R676 VanDerWaalsContact CG-NH1 3.26Å; D627-R676 IonicContact OD1-CZ 2.78Å; D627-R676 IonicContact OD1-NH1 2.73Å; D627-R676 PolarHBondContact OD1-NH1 3.33Å; D627-R676 VanDerWaalsContact OD1-NH1 3.07Å; D627-R676 IonicContact OD1-NH2 2.67Å; D627-R676 PolarHBondContact OD1-NH2 2.89Å; D627-R676 IonicContact OD2-CZ 3.77Å; D627-R676 IonicContact OD2-NH1 3.8Å; D627-R676 PolarHBondContact OD2-NH1 2.88Å; L629-R676 HydrophobicContact CD2-CB 4.29Å; L629-R676 HydrophobicContact CD2-CG 4.01Å; E644-R676 IonicContact OE1-CZ 3.57Å; E644-R676 IonicContact OE1-NE 3.7Å; E644-R676 PolarHBondContact OE1-NE 3.25Å; E644-R676 IonicContact OE1-NH2 2.82Å; E644-R676 PolarHBondContact OE1-NH2 2.83Å; E644-R676 IonicContact OE2-CZ 3.78Å; E644-R676 IonicContact OE2-NE 3.94Å; E644-R676 IonicContact OE2-NH2 3.69Å; E644-R676 PolarHBondContact OE2-NH2 3.05Å; W673-R676 WeakPolarHBondContact O-CD 3.1Å; W673-R676 PolarHBondContact O-NH1 3.28Å; R676-L678 HydrophobicContact CB-CD1 3.92Å; R676-Y705 WeakPolarHBondContact CA-OH 3.44Å
677	I	98.9	Very high	86.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	113.4	174.5	-55.1	172.5	0	0	0	109.4	V422 T424 F596 Y705 V719 A721 F723	V422-I677 HydrophobicContact CB-CD1 4.3Å; V422-I677 HydrophobicContact CB-CG2 4.09Å; V422-I677 HydrophobicContact CG1-CD1 4.18Å; V422-I677 HydrophobicContact CG1-CG1 4.39Å; V422-I677 HydrophobicContact CG1-CG2 3.88Å; V422-I677 VanDerWaalsContact O-CD1 3.26Å; V422-I677 WeakPolarHBondContact O-CD1 3.48Å; T424-I677 HydrophobicContact CG2-CD1 4.38Å; T424-I677 HydrophobicContact CG2-CG1 3.94Å; F596-I677 HydrophobicContact CB-CB 4.27Å; F596-I677 HydrophobicContact CB-CG1 3.99Å; F596-I677 HydrophobicContact CB-CG2 4.29Å; I677-Y705 HydrophobicContact CB-CE2 3.83Å; I677-Y705 HydrophobicContact CD1-CE2 4.31Å; I677-Y705 HydrophobicContact CG1-CE2 4.15Å; I677-Y705 PolarHBondContact N-OH 3.22Å; I677-V719 HydrophobicContact CD1-CG1 4.15Å; I677-V719 HydrophobicContact CG1-CG1 4.48Å; I677-A721 HydrophobicContact CB-CB 4.42Å; I677-A721 HydrophobicContact CD1-CB 3.71Å; I677-A721 HydrophobicContact CG2-CB 4.17Å; I677-F723 HydrophobicContact CG2-CE2 4.06Å; I677-F723 HydrophobicContact CG2-CZ 3.99Å
678	L	98.8	Very high	84.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	153.5	177.9	-59.6	92.6	0	0	0	110	F594 W595 L599 L629 K633 F642 Q643 E644 R676	F594-L678 WeakPolarHBondContact CA-O 2.84Å; W595-L678 HydrophobicContact CE3-CB 4.44Å; W595-L678 HydrophobicContact CE3-CD1 4.2Å; W595-L678 HydrophobicContact CE3-CD2 4.39Å; W595-L678 HydrophobicContact CZ3-CD1 4.48Å; W595-L678 HydrophobicContact CZ3-CD2 4.38Å; W595-L678 PolarHBondContact N-O 3.3Å; W595-L678 PolarHBondContact O-N 3.23Å; L599-L678 HydrophobicContact CD1-CD1 3.61Å; L629-L678 HydrophobicContact CD2-CD1 3.84Å; L629-L678 HydrophobicContact CD2-CD2 4.19Å; K633-L678 HydrophobicContact CD-CD2 4.06Å; F642-L678 HydrophobicContact CD1-CB 4.12Å; Q643-L678 CarbonylContact O-C 3.57Å; Q643-L678 VanDerWaalsContact O-CA 3.23Å; Q643-L678 WeakPolarHBondContact O-CA 3.34Å; Q643-L678 WeakPolarHBondContact O-CB 3.42Å; E644-L678 HydrophobicContact CB-CD2 4.11Å; E644-L678 HydrophobicContact CB-CG 4.02Å; E644-L678 HydrophobicContact CG-CG 4.14Å; R676-L678 HydrophobicContact CB-CD1 3.92Å
679	W	98.7	Very high	82.7	Confident	17 Å²	17	39.6 Å²	39.6	6%	0.064	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	149.8	174.9	75.3	107.4	0	0	0	112.6	L592 V593 F594 F642 Q643 V700 Q702 F723	L592-W679 HydrophobicContact CD1-CB 4.1Å; L592-W679 HydrophobicContact CD1-CG 4.5Å; V593-W679 CarbonylContact O-C 3.57Å; V593-W679 WeakPolarHBondContact O-CA 3.31Å; F594-W679 HydrophobicContact CD1-CB 3.71Å; F594-W679 HydrophobicContact CE1-CB 3.87Å; F642-W679 CarbonylContact C-O 3.59Å; F642-W679 WeakPolarHBondContact CA-O 3.38Å; Q643-W679 HydrophobicContact CB-CD2 3.91Å; Q643-W679 HydrophobicContact CB-CE3 4.14Å; Q643-W679 HydrophobicContact CB-CH2 3.91Å; Q643-W679 HydrophobicContact CB-CZ2 3.66Å; Q643-W679 HydrophobicContact CB-CZ3 4.15Å; Q643-W679 PolarHBondContact N-O 3.14Å; Q643-W679 VanDerWaalsContact NE2-NE1 3.18Å; Q643-W679 PolarHBondContact O-N 2.65Å; W679-V700 HydrophobicContact CG-CG1 4.48Å; W679-Q702 HydrophobicContact CH2-CB 3.85Å; W679-Q702 HydrophobicContact CH2-CG 4.49Å; W679-Q702 VanDerWaalsContact CH2-OE1 3.31Å; W679-Q702 HydrophobicContact CZ2-CB 4.23Å; W679-Q702 HydrophobicContact CZ3-CB 4.35Å; W679-Q702 VanDerWaalsContact CZ3-OE1 3.25Å; W679-F723 HydrophobicContact CD2-CD1 4.48Å; W679-F723 AromaticContact CD2-CE1 3.7Å; W679-F723 HydrophobicContact CD2-CE1 3.7Å; W679-F723 HydrophobicContact CD2-CZ 4.45Å; W679-F723 AromaticContact CE3-CE1 3.53Å; W679-F723 HydrophobicContact CE3-CE1 3.53Å; W679-F723 AromaticContact CE3-CZ 3.99Å; W679-F723 HydrophobicContact CE3-CZ 3.99Å; W679-F723 HydrophobicContact CG-CE1 4.21Å; W679-F723 HydrophobicContact CH2-CE1 4.35Å; W679-F723 HydrophobicContact CZ2-CE1 4.49Å; W679-F723 AromaticContact CZ3-CE1 3.87Å; W679-F723 HydrophobicContact CZ3-CE1 3.87Å; W679-F723 HydrophobicContact CZ3-CZ 4.42Å
680	K	97.3	Very high	80.5	Confident	41 Å²	41	42.7 Å²	42.7	18%	0.178	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	114	178	174.9	160	174	166.9	0	109.5	L592 V593 K640 G641 F642	L592-K680 WeakPolarHBondContact CA-O 3.41Å; V593-K680 HydrophobicContact CB-CB 4.5Å; V593-K680 PolarHBondContact N-O 2.66Å; V593-K680 PolarHBondContact O-N 2.94Å; K640-K680 PolarHBondContact O-NZ 3.08Å; G641-K680 WeakPolarHBondContact O-CG 3.47Å; F642-K680 HydrophobicContact CD1-CB 3.66Å; F642-K680 HydrophobicContact CD2-CB 4.2Å; F642-K680 HydrophobicContact CD2-CD 3.55Å; F642-K680 HydrophobicContact CE1-CB 3.72Å; F642-K680 HydrophobicContact CE1-CD 4.45Å; F642-K680 HydrophobicContact CE2-CB 4.29Å; F642-K680 HydrophobicContact CE2-CD 3.52Å; F642-K680 HydrophobicContact CG-CB 3.91Å; F642-K680 HydrophobicContact CG-CD 4.09Å; F642-K680 HydrophobicContact CZ-CB 4.06Å; F642-K680 HydrophobicContact CZ-CD 4Å
681	V	94.9	Very high	78.5	Confident	31 Å²	31	43.9 Å²	43.9	19%	0.188	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	133.2	167.5	-175.9	0	0	0	0	107.8	D591 L592 A683 V700	D591-V681 WeakPolarHBondContact O-CA 3.3Å; L592-V681 HydrophobicContact CD1-CG2 4.11Å; V681-A683 PolarHBondContact O-N 2.86Å; V681-V700 HydrophobicContact CG2-CB 4.03Å; V681-V700 HydrophobicContact CG2-CG2 3.6Å
682	K	89	Confident	76	Confident	78 Å²	78	47 Å²	47	34%	0.339	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-59.1	132.1	175.8	-169.3	175.9	179.8	174.1	0	110.2	D589 D591	D589-K682 WeakPolarHBondContact O-CE 3.44Å; D589-K682 PolarHBondContact O-NZ 2.89Å; D591-K682 HydrophobicContact CB-CD 4.44Å; D591-K682 PolarHBondContact O-N 2.81Å; D591-K682 WeakPolarHBondContact OD1-CD 3.32Å; D591-K682 WeakPolarHBondContact OD1-CE 3.37Å; D591-K682 IonicContact OD1-NZ 2.98Å; D591-K682 PolarHBondContact OD1-NZ 3.24Å
683	A	76.4	Confident	73.7	Confident	79 Å²	79	56.5 Å²	56.5	65%	0.653	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-64.4	134.7	170.7	0	0	0	0	0	108.4	V681 G685	V681-A683 PolarHBondContact O-N 2.86Å; A683-G685 PolarHBondContact O-N 3.06Å
684	P	65	Low	71.3	Confident	74 Å²	74	66.5 Å²	66.5	48%	0.481	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-57.5	133.1	174.7	25.4	-33.9	0	0	0	109	G686	P684-G686 PolarHBondContact O-N 3.25Å
685	G	58.9	Low	69.1	Low	69 Å²	69	71 Å²	71	71%	0.711	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-54	138.5	178.6	0	0	0	0	0	110.7	A683 G687	A683-G685 PolarHBondContact O-N 3.06Å; G685-G687 PolarHBondContact O-N 3.41Å
686	G	41.1	Very low	67.1	Low	99 Å²	99	75.7 Å²	75.7	100%	1.021	48%	0.484	S	S	*	.	S	Bend	trans	-70.7	72.1	-173.5	0	0	0	0	0	113.6	P684	P684-G686 PolarHBondContact O-N 3.25Å
687	G	49	Very low	65.9	Low	54 Å²	54	82.6 Å²	82.6	56%	0.557	51%	0.51	S	S	*	.	S	Bend	trans	-157	158.7	175.7	0	0	0	0	0	111.7	G685	G685-G687 PolarHBondContact O-N 3.41Å
688	P	44.7	Very low	65.4	Low	130 Å²	130	83.2 Å²	83.2	84%	0.844	51%	0.514	S	S	*	.			trans	-60.5	138.4	172.5	-19.9	32.5	0	0	0	110.8
689	S	47.1	Very low	65.1	Low	42 Å²	42	88.3 Å²	88.3	29%	0.294	54%	0.537	S	S	.	.			trans	-60.7	131.9	165.7	176.1	0	0	0	0	108.6	S691 G692 H696	S689-S691 PolarHBondContact O-N 2.84Å; S689-S691 PolarHBondContact OG-N 3.47Å; S689-S691 PolarHBondContact OG-OG 3.42Å; S689-G692 PolarHBondContact O-N 3.04Å; S689-H696 PolarHBondContact OG-CD2 3.16Å; S689-H696 VanDerWaalsContact OG-CD2 3.3Å; S689-H696 PolarHBondContact OG-NE2 3.37Å
690	P	44.5	Very low	64.9	Low	143 Å²	143	88.6 Å²	88.6	93%	0.929	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-19	174.8	-27.1	35.4	0	0	0	114
691	S	53.5	Low	64.8	Low	64 Å²	64	90 Å²	90	45%	0.448	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.3	-6	178.6	71.1	0	0	0	0	115.2	S689 R693 H696	S689-S691 PolarHBondContact O-N 2.84Å; S689-S691 PolarHBondContact OG-N 3.47Å; S689-S691 PolarHBondContact OG-OG 3.42Å; S691-R693 PolarHBondContact O-N 3.33Å; S691-R693 PolarHBondContact OG-N 3.26Å; S691-H696 PolarHBondContact OG-NE2 3.3Å
692	G	46	Very low	64.9	Low	66 Å²	66	90.2 Å²	90.2	68%	0.68	55%	0.552	S	S	*	*			trans	64.8	-9.5	-172.6	0	0	0	0	0	116.3	S689	S689-G692 PolarHBondContact O-N 3.04Å
693	R	49.3	Very low	65.1	Low	199 Å²	199	92.3 Å²	92.3	75%	0.751	56%	0.563	S	S	*	*			trans	-71.6	128	-175.4	-75.2	-174.5	169.3	-173.4	-2.8	112.8	S691 S695	S691-R693 PolarHBondContact O-N 3.33Å; S691-R693 PolarHBondContact OG-N 3.26Å; R693-S695 VanDerWaalsContact C-N 3.25Å; R693-S695 PolarHBondContact O-N 2.82Å
694	K	48.3	Very low	66	Low	210 Å²	210	89.9 Å²	89.9	91%	0.913	54%	0.541	S	S	*	.	S	Bend	trans	-77.8	64	169.4	-68.9	-177.2	177.7	177.2	0	112.1
695	S	51.2	Low	67.6	Low	94 Å²	94	87.4 Å²	87.4	66%	0.657	52%	0.522	S	S	*	.			trans	-179.3	100.5	152.4	-84.5	0	0	0	0	109.8	R693	R693-S695 VanDerWaalsContact C-N 3.25Å; R693-S695 PolarHBondContact O-N 2.82Å
696	H	58.6	Low	69.4	Low	100 Å²	100	89 Å²	89	46%	0.463	51%	0.506	S	S	.	.			trans	-133.9	46.3	169.5	-79.4	-81.7	0	0	0	108.7	S689 S691 A728	S689-H696 PolarHBondContact OG-CD2 3.16Å; S689-H696 VanDerWaalsContact OG-CD2 3.3Å; S689-H696 PolarHBondContact OG-NE2 3.37Å; S691-H696 PolarHBondContact OG-NE2 3.3Å; H696-A728 VanDerWaalsContact C-CB 3.48Å
697	R	73.6	Confident	72.1	Confident	145 Å²	145	85.1 Å²	85.1	55%	0.547	46%	0.464	S	S	.	.			trans	-128.6	123.8	-173.8	-64.3	-172.9	69.4	167.4	-0.1	110.2	Q699	R697-Q699 PolarHBondContact O-N 2.8Å
698	L	87.9	Confident	74.4	Confident	13 Å²	13	82.7 Å²	82.7	7%	0.068	44%	0.438	C	S	.	.			trans	-56.1	123	161.5	175.1	58.9	0	0	0	108.4	L549 L592 V700 L725 F727	L549-L698 HydrophobicContact CD2-CD2 4.49Å; L592-L698 HydrophobicContact CB-CD2 3.76Å; L592-L698 HydrophobicContact CD2-CD2 4.39Å; L698-V700 HydrophobicContact CG-CG2 4.09Å; L698-L725 HydrophobicContact CD1-CB 4.12Å; L698-L725 HydrophobicContact CD1-CD2 4.24Å; L698-L725 HydrophobicContact CD1-CG 4.07Å; L698-F727 HydrophobicContact CD1-CD1 3.75Å; L698-F727 HydrophobicContact CD1-CE1 4.29Å; L698-F727 HydrophobicContact CD1-CG 4.48Å
699	Q	91.3	Very high	76.9	Confident	107 Å²	107	79.2 Å²	79.2	50%	0.5	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	140.9	173.1	-51.4	-172.8	82.9	0	0	108.7	R697 L725 Q726	R697-Q699 PolarHBondContact O-N 2.8Å; Q699-L725 WeakPolarHBondContact O-CA 3.26Å; Q699-Q726 HydrophobicContact CB-CB 4.25Å; Q699-Q726 PolarHBondContact N-O 3.04Å; Q699-Q726 PolarHBondContact O-N 3.41Å
700	V	95.4	Very high	79.2	Confident	22 Å²	22	81.9 Å²	81.9	13%	0.133	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	110.8	-177	-176.4	0	0	0	0	108.8	L592 W679 V681 L698 F723 L724 L725	L592-V700 HydrophobicContact CD1-CG2 4.11Å; L592-V700 HydrophobicContact CD2-CG2 3.85Å; W679-V700 HydrophobicContact CG-CG1 4.48Å; V681-V700 HydrophobicContact CG2-CB 4.03Å; V681-V700 HydrophobicContact CG2-CG2 3.6Å; L698-V700 HydrophobicContact CG-CG2 4.09Å; V700-F723 HydrophobicContact CG1-CB 4.35Å; V700-F723 HydrophobicContact CG1-CD1 3.96Å; V700-L724 WeakPolarHBondContact CA-O 3.46Å; V700-L725 HydrophobicContact CG1-CD1 4.22Å; V700-L725 HydrophobicContact CG2-CD1 4.43Å; V700-L725 HydrophobicContact CG2-CG 4.25Å
701	T	95.8	Very high	81.7	Confident	70 Å²	70	75.9 Å²	75.9	43%	0.429	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.7	177.5	-60.3	0	0	0	0	109	F723 L724	T701-F723 CarbonylContact O-C 3.39Å; T701-F723 VanDerWaalsContact O-CA 3.29Å; T701-F723 WeakPolarHBondContact O-CA 3.48Å; T701-L724 PolarHBondContact N-O 2.96Å; T701-L724 PolarHBondContact O-N 3.05Å
702	Q	96.4	Very high	83.8	Confident	37 Å²	37	75 Å²	75	17%	0.173	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	120.8	170.5	-169.2	176.6	38	0	0	109	W679 S704 Q722 F723	W679-Q702 HydrophobicContact CH2-CB 3.85Å; W679-Q702 HydrophobicContact CH2-CG 4.49Å; W679-Q702 VanDerWaalsContact CH2-OE1 3.31Å; W679-Q702 HydrophobicContact CZ2-CB 4.23Å; W679-Q702 HydrophobicContact CZ3-CB 4.35Å; W679-Q702 VanDerWaalsContact CZ3-OE1 3.25Å; Q702-S704 WeakPolarHBondContact CG-O 3.38Å; Q702-Q722 CarbonylContact C-O 3.52Å; Q702-Q722 WeakPolarHBondContact CA-O 3.47Å; Q702-F723 HydrophobicContact CB-CD1 3.81Å; Q702-F723 HydrophobicContact CB-CE1 3.7Å; Q702-F723 HydrophobicContact CG-CD1 3.96Å; Q702-F723 HydrophobicContact CG-CE1 3.58Å; Q702-F723 HydrophobicContact CG-CZ 4.09Å
703	H	93.4	Very high	86.2	Confident	122 Å²	122	74 Å²	74	57%	0.565	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	-31.1	178.3	-76.1	-82.1	0	0	0	112.8	Q722 L724	H703-Q722 PolarHBondContact N-O 3.35Å; H703-L724 VanDerWaalsContact NE2-CB 3.3Å; H703-L724 WeakPolarHBondContact NE2-CB 3.14Å
704	S	95.1	Very high	88.6	Confident	27 Å²	27	64.7 Å²	64.7	19%	0.189	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	151.4	178.1	66.5	0	0	0	0	111.5	Q702 A721 Q722	Q702-S704 WeakPolarHBondContact CG-O 3.38Å; S704-A721 WeakPolarHBondContact O-CA 3.37Å; S704-A721 WeakPolarHBondContact O-CB 3.31Å; S704-Q722 PolarHBondContact O-N 3.19Å; S704-Q722 VanDerWaalsContact O-N 3.15Å; S704-Q722 WeakPolarHBondContact OG-CB 3.04Å; S704-Q722 VanDerWaalsContact OG-CG 3.3Å; S704-Q722 WeakPolarHBondContact OG-CG 3.5Å; S704-Q722 PolarHBondContact OG-N 2.93Å; S704-Q722 PolarHBondContact OG-OE1 3.34Å
705	Y	97.8	Very high	90.9	Very high	23 Å²	23	56 Å²	56	9%	0.09	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	109	169.9	-171.2	-152.5	0	0	0	106.9	E644 L647 F649 R676 I677 V719 A720 A721	E644-Y705 HydrophobicContact CG-CE1 3.72Å; E644-Y705 PolarHBondContact OE1-OH 2.93Å; L647-Y705 HydrophobicContact CD2-CE1 3.8Å; F649-Y705 AromaticContact CE1-CD1 3.8Å; F649-Y705 HydrophobicContact CE1-CD1 3.8Å; F649-Y705 HydrophobicContact CE1-CD2 4.09Å; F649-Y705 AromaticContact CE1-CE1 3.98Å; F649-Y705 HydrophobicContact CE1-CE1 3.98Å; F649-Y705 HydrophobicContact CE1-CE2 4.26Å; F649-Y705 AromaticContact CE1-CG 3.88Å; F649-Y705 HydrophobicContact CE1-CG 3.88Å; F649-Y705 HydrophobicContact CZ-CD1 4.4Å; F649-Y705 HydrophobicContact CZ-CD2 4.36Å; F649-Y705 HydrophobicContact CZ-CE1 4.15Å; F649-Y705 HydrophobicContact CZ-CE2 4.1Å; R676-Y705 WeakPolarHBondContact CA-OH 3.44Å; I677-Y705 HydrophobicContact CB-CE2 3.83Å; I677-Y705 HydrophobicContact CD1-CE2 4.31Å; I677-Y705 HydrophobicContact CG1-CE2 4.15Å; I677-Y705 PolarHBondContact N-OH 3.22Å; Y705-V719 HydrophobicContact CD2-CG1 3.92Å; Y705-V719 HydrophobicContact CE2-CG1 3.52Å; Y705-A720 WeakPolarHBondContact CA-O 3.43Å; Y705-A721 HydrophobicContact CD2-CB 3.99Å
706	R	96.9	Very high	93.2	Very high	102 Å²	102	51.9 Å²	51.9	39%	0.385	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	146.2	-172.1	67.9	-174.6	-170.6	-179.7	2.9	112.3	H441 H708 V719 A720	H441-R706 PolarHBondContact CD2-NH2 3.47Å; H441-R706 PolarHBondContact NE2-NE 3.17Å; R706-H708 PolarHBondContact NE-CE1 3.48Å; R706-H708 VanDerWaalsContact NE-CE1 3.26Å; R706-H708 PolarHBondContact NE-NE2 3.06Å; R706-H708 PolarHBondContact NH2-CE1 2.78Å; R706-V719 WeakPolarHBondContact O-CA 3.21Å; R706-A720 PolarHBondContact N-O 2.81Å; R706-A720 PolarHBondContact O-N 2.77Å
707	S	97.6	Very high	95.1	Very high	17 Å²	17	47.1 Å²	47.1	12%	0.119	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	152.7	158.5	62	0	0	0	0	110.5	F649 P718	F649-S707 WeakPolarHBondContact CD2-OG 3.26Å; S707-P718 CarbonylContact C-O 3.59Å; S707-P718 VanDerWaalsContact CA-O 3.31Å; S707-P718 WeakPolarHBondContact CA-O 3.21Å
708	H	97.4	Very high	96.3	Very high	3 Å²	3	40.2 Å²	40.2	1%	0.014	20%	0.202	C	C	.	.			trans	-111.8	104.8	179.9	-79.1	-104.3	0	0	0	109.5	S438 L439 H441 R706 E710 Y711 P718	S438-H708 PolarHBondContact O-CE1 2.98Å; S438-H708 VanDerWaalsContact O-CE1 3.3Å; L439-H708 HydrophobicContact CD1-CB 4.31Å; H441-H708 AromaticContact NE2-NE2 3.57Å; R706-H708 PolarHBondContact NE-CE1 3.48Å; R706-H708 VanDerWaalsContact NE-CE1 3.26Å; R706-H708 PolarHBondContact NE-NE2 3.06Å; R706-H708 PolarHBondContact NH2-CE1 2.78Å; H708-E710 VanDerWaalsContact CA-OE2 3.29Å; H708-E710 WeakPolarHBondContact CA-OE2 3.47Å; H708-E710 WeakPolarHBondContact CB-OE2 3.43Å; H708-E710 IonicContact CE1-OE1 2.65Å; H708-E710 IonicContact CG-OE1 2.69Å; H708-E710 IonicContact ND1-OE1 3.25Å; H708-E710 PolarHBondContact ND1-OE1 3.31Å; H708-E710 IonicContact ND1-OE2 3.42Å; H708-Y711 HydrophobicContact CB-CD2 3.79Å; H708-Y711 HydrophobicContact CB-CE2 4.17Å; H708-P718 HydrophobicContact CB-CG 4.08Å; H708-P718 PolarHBondContact N-O 2.92Å
709	M	96.8	Very high	96.8	Very high	58 Å²	58	39.6 Å²	39.6	29%	0.286	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-12.2	-172	-64.8	-61.5	-61	0	0	113.3	F655 N660 Y711 K717	F655-M709 HydrophobicContact CE1-CE 3.84Å; F655-M709 HydrophobicContact CZ-CE 3.71Å; F655-M709 HydrophobicContact CZ-SD 4.3Å; N660-M709 HydrophobicContact CB-CE 3.96Å; N660-M709 PolarHBondContact ND2-O 2.89Å; N660-M709 PolarHBondContact OD1-O 2.94Å; M709-Y711 VanDerWaalsContact C-N 3.31Å; M709-K717 HydrophobicContact CE-CG 4.42Å; M709-K717 HydrophobicContact SD-CB 4.41Å; M709-K717 HydrophobicContact SD-CG 3.89Å
710	E	96.1	Very high	97.1	Very high	98 Å²	98	34.5 Å²	34.5	46%	0.458	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-26.7	176.5	64.7	-85.1	-154.1	0	0	112.8	H708 T712	H708-E710 VanDerWaalsContact CA-OE2 3.29Å; H708-E710 WeakPolarHBondContact CA-OE2 3.47Å; H708-E710 WeakPolarHBondContact CB-OE2 3.43Å; H708-E710 IonicContact CE1-OE1 2.65Å; H708-E710 IonicContact CG-OE1 2.69Å; H708-E710 IonicContact ND1-OE1 3.25Å; H708-E710 PolarHBondContact ND1-OE1 3.31Å; H708-E710 IonicContact ND1-OE2 3.42Å; E710-T712 PolarHBondContact O-N 3.4Å
711	Y	97.3	Very high	97.2	Very high	17 Å²	17	33.5 Å²	33.5	7%	0.067	17%	0.168	C	C	.	.			trans	-87.4	102.3	-178.6	-64.8	-71.2	0	0	0	112.2	W425 P433 D435 L439 H708 M709 K717 P718	W425-Y711 AromaticContact CH2-CD1 3.98Å; W425-Y711 HydrophobicContact CH2-CD1 3.98Å; W425-Y711 AromaticContact CH2-CG 3.93Å; W425-Y711 HydrophobicContact CH2-CG 3.93Å; W425-Y711 HydrophobicContact CZ2-CG 4.47Å; W425-Y711 HydrophobicContact CZ3-CD1 4.45Å; W425-Y711 HydrophobicContact CZ3-CG 4.44Å; P433-Y711 HydrophobicContact CG-CD1 4.14Å; P433-Y711 HydrophobicContact CG-CE1 4.26Å; D435-Y711 VanDerWaalsContact O-CE1 3.31Å; D435-Y711 WeakPolarHBondContact O-CE1 3.23Å; L439-Y711 HydrophobicContact CB-CE2 3.64Å; L439-Y711 PolarHBondContact N-OH 2.91Å; H708-Y711 HydrophobicContact CB-CD2 3.79Å; H708-Y711 HydrophobicContact CB-CE2 4.17Å; M709-Y711 VanDerWaalsContact C-N 3.31Å; Y711-K717 WeakPolarHBondContact O-CD 3.4Å; Y711-K717 VanDerWaalsContact O-CE 3.24Å; Y711-K717 WeakPolarHBondContact O-CE 3.49Å; Y711-P718 HydrophobicContact CD2-CG 3.7Å; Y711-P718 HydrophobicContact CG-CG 3.96Å
712	T	97.6	Very high	97.3	Very high	44 Å²	44	32.5 Å²	32.5	27%	0.27	16%	0.159	S	C	.	.			trans	-102.1	-1	-173.8	62.4	0	0	0	0	115.5	G658 E710 S714	G658-T712 VanDerWaalsContact C-CB 3.48Å; G658-T712 WeakPolarHBondContact CA-O 3.44Å; G658-T712 PolarHBondContact N-O 2.98Å; E710-T712 PolarHBondContact O-N 3.4Å; T712-S714 PolarHBondContact O-N 2.67Å; T712-S714 VanDerWaalsContact O-N 3.12Å
713	V	97.3	Very high	97.3	Very high	47 Å²	47	30.9 Å²	30.9	29%	0.285	15%	0.151	S	C	.	.	S	Bend	trans	-64.7	-16	-175	-60.3	0	0	0	0	115	W425 A430 P433 W478 V657	W425-V713 HydrophobicContact CH2-CG2 3.63Å; W425-V713 HydrophobicContact CZ2-CG2 3.5Å; W425-V713 VanDerWaalsContact CZ2-CG2 3.5Å; A430-V713 HydrophobicContact CB-CB 4.31Å; A430-V713 HydrophobicContact CB-CG2 4.48Å; A430-V713 VanDerWaalsContact CB-O 3.27Å; A430-V713 WeakPolarHBondContact CB-O 3.44Å; P433-V713 HydrophobicContact CB-CG1 4.41Å; W478-V713 HydrophobicContact CH2-CG2 4.45Å; V657-V713 WeakPolarHBondContact CG1-O 3.31Å
714	S	98	Very high	97.4	Very high	2 Å²	2	26 Å²	26	1%	0.014	13%	0.129	C	C	.	.	S	Bend	trans	-122.5	159.6	179.5	177	0	0	0	0	111.6	N426 T712 H716	N426-S714 WeakPolarHBondContact O-CB 3.4Å; N426-S714 PolarHBondContact O-OG 3.18Å; T712-S714 PolarHBondContact O-N 2.67Å; T712-S714 VanDerWaalsContact O-N 3.12Å; S714-H716 WeakPolarHBondContact CB-O 3.28Å; S714-H716 PolarHBondContact OG-N 2.85Å; S714-H716 VanDerWaalsContact OG-N 3.09Å; S714-H716 PolarHBondContact OG-O 3.07Å
715	D	97.9	Very high	97.4	Very high	29 Å²	29	24.7 Å²	24.7	16%	0.155	12%	0.12	C	C	.	.	S	Bend	trans	-77.9	-5.4	168.7	69	-37.7	0	0	0	113.5	K654 F655 V657	K654-D715 HydrophobicContact CG-CB 4.06Å; K654-D715 VanDerWaalsContact NZ-CG 3.34Å; K654-D715 IonicContact NZ-OD2 3.24Å; K654-D715 PolarHBondContact NZ-OD2 2.93Å; F655-D715 PolarHBondContact N-O 2.83Å; F655-D715 WeakPolarHBondContact O-CB 3.4Å; V657-D715 HydrophobicContact CG2-CB 4.07Å
716	H	98.6	Very high	97.2	Very high	7 Å²	7	27.2 Å²	27.2	3%	0.032	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-106	147.9	162.4	-68.6	-119.5	0	0	0	111.2	W425 N426 D598 T652 F653 T674 D675 S714	W425-H716 PolarHBondContact NE1-O 2.74Å; N426-H716 HydrophobicContact CB-CB 4.01Å; N426-H716 PolarHBondContact ND2-NE2 2.81Å; N426-H716 WeakPolarHBondContact O-CB 3.31Å; D598-H716 IonicContact OD2-CE1 2.69Å; D598-H716 PolarHBondContact OD2-CE1 3.41Å; D598-H716 VanDerWaalsContact OD2-CE1 3.24Å; D598-H716 IonicContact OD2-NE2 2.72Å; T652-H716 CarbonylContact O-C 3.55Å; T652-H716 VanDerWaalsContact O-CA 3.32Å; T652-H716 WeakPolarHBondContact O-CA 3.4Å; F653-H716 AromaticContact CD2-CD2 3.57Å; F653-H716 AromaticContact CD2-CE1 3.55Å; F653-H716 AromaticContact CD2-NE2 3.19Å; F653-H716 WeakPolarHBondContact CD2-NE2 3.35Å; F653-H716 AromaticContact CE2-NE2 3.63Å; T674-H716 PolarHBondContact OG1-CE1 2.85Å; T674-H716 PolarHBondContact OG1-ND1 2.71Å; D675-H716 VanDerWaalsContact CG-ND1 3.34Å; D675-H716 IonicContact OD1-CE1 3.39Å; D675-H716 IonicContact OD1-CG 2.71Å; D675-H716 IonicContact OD1-ND1 3.88Å; D675-H716 PolarHBondContact OD1-ND1 2.96Å; D675-H716 VanDerWaalsContact OD1-ND1 3.08Å; D675-H716 IonicContact OD2-CE1 3.5Å; D675-H716 IonicContact OD2-CG 3.79Å; D675-H716 IonicContact OD2-ND1 3.07Å; D675-H716 PolarHBondContact OD2-ND1 2.85Å; S714-H716 WeakPolarHBondContact CB-O 3.28Å; S714-H716 PolarHBondContact OG-N 2.85Å; S714-H716 VanDerWaalsContact OG-N 3.09Å; S714-H716 PolarHBondContact OG-O 3.07Å
717	K	98.4	Very high	96.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.			trans	-96.7	135.8	170.7	-65.8	-62.2	-171.3	-75.6	0	111.5	T652 F655 T659 N660 M709 Y711	T652-K717 PolarHBondContact O-N 2.84Å; F655-K717 HydrophobicContact CD2-CG 3.73Å; F655-K717 HydrophobicContact CE2-CB 4.36Å; F655-K717 HydrophobicContact CE2-CG 3.47Å; F655-K717 VanDerWaalsContact CE2-CG 3.47Å; F655-K717 HydrophobicContact CZ-CG 4.11Å; T659-K717 PolarHBondContact O-NZ 2.8Å; N660-K717 WeakPolarHBondContact OD1-CE 3.34Å; N660-K717 PolarHBondContact OD1-NZ 3.31Å; M709-K717 HydrophobicContact CE-CG 4.42Å; M709-K717 HydrophobicContact SD-CB 4.41Å; M709-K717 HydrophobicContact SD-CG 3.89Å; Y711-K717 WeakPolarHBondContact O-CD 3.4Å; Y711-K717 VanDerWaalsContact O-CE 3.24Å; Y711-K717 WeakPolarHBondContact O-CE 3.49Å
718	P	98.6	Very high	96.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.			trans	-62.4	145.7	178.5	14.7	-16.9	0	0	0	111.1	T424 W425 L439 S707 H708 Y711	T424-P718 WeakPolarHBondContact O-CA 3.2Å; W425-P718 HydrophobicContact CB-CB 3.91Å; W425-P718 HydrophobicContact CD2-CB 3.63Å; W425-P718 HydrophobicContact CD2-CG 3.69Å; W425-P718 HydrophobicContact CE3-CB 3.95Å; W425-P718 HydrophobicContact CE3-CG 3.94Å; W425-P718 HydrophobicContact CG-CB 3.6Å; W425-P718 HydrophobicContact CG-CG 4.12Å; W425-P718 HydrophobicContact CH2-CG 4.24Å; W425-P718 HydrophobicContact CZ2-CG 4Å; W425-P718 HydrophobicContact CZ3-CG 4.2Å; L439-P718 HydrophobicContact CD1-CB 3.84Å; L439-P718 HydrophobicContact CD1-CG 4.29Å; L439-P718 HydrophobicContact CD2-CB 4.06Å; L439-P718 HydrophobicContact CD2-CG 4.36Å; S707-P718 CarbonylContact C-O 3.59Å; S707-P718 VanDerWaalsContact CA-O 3.31Å; S707-P718 WeakPolarHBondContact CA-O 3.21Å; H708-P718 HydrophobicContact CB-CG 4.08Å; H708-P718 PolarHBondContact N-O 2.92Å; Y711-P718 HydrophobicContact CD2-CG 3.7Å; Y711-P718 HydrophobicContact CG-CG 3.96Å
719	V	98.8	Very high	95.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.2	176.8	-179.8	0	0	0	0	108.9	V423 T424 F649 T652 D675 I677 Y705 R706	V423-V719 CarbonylContact C-O 3.59Å; V423-V719 WeakPolarHBondContact CA-O 3.08Å; T424-V719 HydrophobicContact CG2-CB 3.9Å; T424-V719 PolarHBondContact N-O 2.91Å; T424-V719 PolarHBondContact O-N 3.4Å; F649-V719 HydrophobicContact CE2-CG1 4.47Å; F649-V719 HydrophobicContact CE2-CG2 4.24Å; F649-V719 HydrophobicContact CZ-CG1 4.06Å; T652-V719 HydrophobicContact CG2-CG2 3.41Å; T652-V719 VanDerWaalsContact CG2-CG2 3.41Å; D675-V719 HydrophobicContact CB-CG2 3.87Å; I677-V719 HydrophobicContact CD1-CG1 4.15Å; I677-V719 HydrophobicContact CG1-CG1 4.48Å; Y705-V719 HydrophobicContact CD2-CG1 3.92Å; Y705-V719 HydrophobicContact CE2-CG1 3.52Å; R706-V719 WeakPolarHBondContact O-CA 3.21Å
720	A	98.4	Very high	95.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147.5	177.2	0	0	0	0	0	111	V422 V423 L439 H441 Y705 R706	V422-A720 CarbonylContact O-C 3.56Å; V422-A720 WeakPolarHBondContact O-CA 3.48Å; V423-A720 HydrophobicContact CG2-CB 4.22Å; L439-A720 HydrophobicContact CD1-CB 4.16Å; H441-A720 WeakPolarHBondContact NE2-CB 3.18Å; Y705-A720 WeakPolarHBondContact CA-O 3.43Å; R706-A720 PolarHBondContact N-O 2.81Å; R706-A720 PolarHBondContact O-N 2.77Å
721	A	97.8	Very high	94.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	137.3	171.6	0	0	0	0	0	110.8	T421 V422 I677 S704 Y705 F723	T421-A721 CarbonylContact C-O 3.57Å; T421-A721 WeakPolarHBondContact CA-O 3.35Å; V422-A721 PolarHBondContact N-O 2.94Å; V422-A721 PolarHBondContact O-N 3.24Å; I677-A721 HydrophobicContact CB-CB 4.42Å; I677-A721 HydrophobicContact CD1-CB 3.71Å; I677-A721 HydrophobicContact CG2-CB 4.17Å; S704-A721 WeakPolarHBondContact O-CA 3.37Å; S704-A721 WeakPolarHBondContact O-CB 3.31Å; Y705-A721 HydrophobicContact CD2-CB 3.99Å; A721-F723 HydrophobicContact CB-CD2 4.4Å; A721-F723 HydrophobicContact CB-CE2 3.51Å; A721-F723 HydrophobicContact CB-CZ 3.77Å
722	Q	96.4	Very high	94.3	Very high	49 Å²	49	30.3 Å²	30.3	23%	0.229	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.5	175	-61.9	169.9	-55.5	0	0	110.2	T421 H441 Q702 H703 S704	T421-Q722 HydrophobicContact CG2-CG 4.27Å; H441-Q722 PolarHBondContact CD2-NE2 3Å; Q702-Q722 CarbonylContact C-O 3.52Å; Q702-Q722 WeakPolarHBondContact CA-O 3.47Å; H703-Q722 PolarHBondContact N-O 3.35Å; S704-Q722 PolarHBondContact O-N 3.19Å; S704-Q722 VanDerWaalsContact O-N 3.15Å; S704-Q722 WeakPolarHBondContact OG-CB 3.04Å; S704-Q722 VanDerWaalsContact OG-CG 3.3Å; S704-Q722 WeakPolarHBondContact OG-CG 3.5Å; S704-Q722 PolarHBondContact OG-N 2.93Å; S704-Q722 PolarHBondContact OG-OE1 3.34Å
723	F	97.3	Very high	93.9	Very high	3 Å²	3	32.1 Å²	32.1	1%	0.013	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140	-178.6	-59.4	-87.6	0	0	0	110.7	R419 I420 V422 F594 I677 W679 V700 T701 Q702 A721 L725	R419-F723 CarbonylContact C-O 3.57Å; R419-F723 WeakPolarHBondContact CA-O 3.26Å; I420-F723 PolarHBondContact N-O 2.61Å; I420-F723 PolarHBondContact O-N 3.2Å; V422-F723 HydrophobicContact CB-CE2 4.15Å; V422-F723 HydrophobicContact CG2-CD2 4.04Å; V422-F723 HydrophobicContact CG2-CE2 3.87Å; F594-F723 HydrophobicContact CD1-CD2 4.48Å; F594-F723 HydrophobicContact CD1-CE2 4.12Å; F594-F723 HydrophobicContact CD1-CZ 4.32Å; F594-F723 HydrophobicContact CE1-CD1 4.05Å; F594-F723 AromaticContact CE1-CD2 3.53Å; F594-F723 HydrophobicContact CE1-CD2 3.53Å; F594-F723 HydrophobicContact CE1-CE1 4.06Å; F594-F723 AromaticContact CE1-CE2 3.54Å; F594-F723 HydrophobicContact CE1-CE2 3.54Å; F594-F723 AromaticContact CE1-CG 3.78Å; F594-F723 HydrophobicContact CE1-CG 3.78Å; F594-F723 AromaticContact CE1-CZ 3.82Å; F594-F723 HydrophobicContact CE1-CZ 3.82Å; F594-F723 HydrophobicContact CZ-CB 4.38Å; F594-F723 AromaticContact CZ-CD2 3.98Å; F594-F723 HydrophobicContact CZ-CD2 3.98Å; F594-F723 HydrophobicContact CZ-CE2 4.43Å; F594-F723 HydrophobicContact CZ-CG 4.08Å; I677-F723 HydrophobicContact CG2-CE2 4.06Å; I677-F723 HydrophobicContact CG2-CZ 3.99Å; W679-F723 HydrophobicContact CD2-CD1 4.48Å; W679-F723 AromaticContact CD2-CE1 3.7Å; W679-F723 HydrophobicContact CD2-CE1 3.7Å; W679-F723 HydrophobicContact CD2-CZ 4.45Å; W679-F723 AromaticContact CE3-CE1 3.53Å; W679-F723 HydrophobicContact CE3-CE1 3.53Å; W679-F723 AromaticContact CE3-CZ 3.99Å; W679-F723 HydrophobicContact CE3-CZ 3.99Å; W679-F723 HydrophobicContact CG-CE1 4.21Å; W679-F723 HydrophobicContact CH2-CE1 4.35Å; W679-F723 HydrophobicContact CZ2-CE1 4.49Å; W679-F723 AromaticContact CZ3-CE1 3.87Å; W679-F723 HydrophobicContact CZ3-CE1 3.87Å; W679-F723 HydrophobicContact CZ3-CZ 4.42Å; V700-F723 HydrophobicContact CG1-CB 4.35Å; V700-F723 HydrophobicContact CG1-CD1 3.96Å; T701-F723 CarbonylContact O-C 3.39Å; T701-F723 VanDerWaalsContact O-CA 3.29Å; T701-F723 WeakPolarHBondContact O-CA 3.48Å; Q702-F723 HydrophobicContact CB-CD1 3.81Å; Q702-F723 HydrophobicContact CB-CE1 3.7Å; Q702-F723 HydrophobicContact CG-CD1 3.96Å; Q702-F723 HydrophobicContact CG-CE1 3.58Å; Q702-F723 HydrophobicContact CG-CZ 4.09Å; A721-F723 HydrophobicContact CB-CD2 4.4Å; A721-F723 HydrophobicContact CB-CE2 3.51Å; A721-F723 HydrophobicContact CB-CZ 3.77Å; F723-L725 HydrophobicContact CB-CD1 4.19Å
724	L	95.9	Very high	93.7	Very high	20 Å²	20	30.7 Å²	30.7	11%	0.105	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	120.1	166.9	-174.2	68.1	0	0	0	109	P416 R419 V700 T701 H703	P416-L724 WeakPolarHBondContact O-CD1 3.15Å; R419-L724 HydrophobicContact CG-CD1 3.67Å; V700-L724 WeakPolarHBondContact CA-O 3.46Å; T701-L724 PolarHBondContact N-O 2.96Å; T701-L724 PolarHBondContact O-N 3.05Å; H703-L724 VanDerWaalsContact NE2-CB 3.3Å; H703-L724 WeakPolarHBondContact NE2-CB 3.14Å
725	L	95.2	Very high	93.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.1	171.1	-82.5	61	0	0	0	109.1	G417 F418 I420 L549 L592 L698 Q699 V700 F723 F727	G417-L725 CarbonylContact C-O 3.56Å; G417-L725 VanDerWaalsContact CA-O 3.24Å; G417-L725 WeakPolarHBondContact CA-O 3.21Å; F418-L725 HydrophobicContact CB-CB 4.3Å; F418-L725 HydrophobicContact CD1-CD2 4.48Å; F418-L725 PolarHBondContact N-O 3.23Å; F418-L725 PolarHBondContact O-N 2.66Å; I420-L725 HydrophobicContact CD1-CD1 3.76Å; I420-L725 HydrophobicContact CD1-CD2 3.58Å; I420-L725 HydrophobicContact CD1-CG 4.31Å; I420-L725 HydrophobicContact CG1-CD1 4Å; I420-L725 HydrophobicContact CG1-CD2 4.43Å; L549-L725 HydrophobicContact CD1-CD2 4.44Å; L549-L725 HydrophobicContact CD2-CD2 4.22Å; L592-L725 HydrophobicContact CD2-CD1 4.11Å; L592-L725 HydrophobicContact CD2-CD2 3.9Å; L592-L725 HydrophobicContact CD2-CG 4.13Å; L698-L725 HydrophobicContact CD1-CB 4.12Å; L698-L725 HydrophobicContact CD1-CD2 4.24Å; L698-L725 HydrophobicContact CD1-CG 4.07Å; Q699-L725 WeakPolarHBondContact O-CA 3.26Å; V700-L725 HydrophobicContact CG1-CD1 4.22Å; V700-L725 HydrophobicContact CG2-CD1 4.43Å; V700-L725 HydrophobicContact CG2-CG 4.25Å; F723-L725 HydrophobicContact CB-CD1 4.19Å; L725-F727 HydrophobicContact CB-CE1 4.45Å; L725-F727 HydrophobicContact CB-CZ 4.45Å; L725-F727 HydrophobicContact CD2-CE1 3.89Å; L725-F727 HydrophobicContact CD2-CZ 4.16Å
726	Q	93.1	Very high	93.3	Very high	76 Å²	76	29.7 Å²	29.7	36%	0.355	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	108.1	162.9	-63.8	175.2	-15.3	0	0	107.2	Q699	Q699-Q726 HydrophobicContact CB-CB 4.25Å; Q699-Q726 PolarHBondContact N-O 3.04Å; Q699-Q726 PolarHBondContact O-N 3.41Å
727	F	88.6	Confident	93.2	Very high	18 Å²	18	34.4 Å²	34.4	8%	0.079	16%	0.164	C	C	.	.			trans	-70.2	148.5	-176.4	-61.4	-70.3	0	0	0	111.4	F418 A544 F545 H547 L698 L725 F729 R730	F418-F727 HydrophobicContact CB-CD2 4.4Å; F418-F727 HydrophobicContact CB-CE2 3.44Å; F418-F727 VanDerWaalsContact CB-CE2 3.44Å; F418-F727 HydrophobicContact CB-CZ 3.83Å; F418-F727 HydrophobicContact CD1-CE2 4.38Å; F418-F727 AromaticContact CD1-CZ 3.95Å; F418-F727 HydrophobicContact CD1-CZ 3.95Å; F418-F727 HydrophobicContact CD2-CE2 4.48Å; F418-F727 AromaticContact CG-CE2 3.89Å; F418-F727 HydrophobicContact CG-CE2 3.89Å; F418-F727 AromaticContact CG-CZ 3.94Å; F418-F727 HydrophobicContact CG-CZ 3.94Å; A544-F727 HydrophobicContact CB-CZ 4.45Å; F545-F727 HydrophobicContact CB-CD2 4.36Å; F545-F727 HydrophobicContact CB-CE2 4.23Å; F545-F727 HydrophobicContact CB-CZ 4.47Å; F545-F727 HydrophobicContact CD2-CD2 4.29Å; F545-F727 HydrophobicContact CD2-CE1 4.48Å; F545-F727 AromaticContact CD2-CE2 3.4Å; F545-F727 HydrophobicContact CD2-CE2 3.4Å; F545-F727 VanDerWaalsContact CD2-CE2 3.4Å; F545-F727 AromaticContact CD2-CZ 3.54Å; F545-F727 HydrophobicContact CD2-CZ 3.54Å; F545-F727 HydrophobicContact CE2-CE2 4.05Å; F545-F727 HydrophobicContact CE2-CZ 4.26Å; F545-F727 HydrophobicContact CG-CD2 4.48Å; F545-F727 HydrophobicContact CG-CE2 4.01Å; F545-F727 HydrophobicContact CG-CZ 4.38Å; H547-F727 HydrophobicContact CB-CD1 4.08Å; H547-F727 HydrophobicContact CB-CE1 4.24Å; H547-F727 AromaticContact CD2-CD1 3.34Å; H547-F727 WeakPolarHBondContact CD2-CD1 3.48Å; H547-F727 AromaticContact CD2-CG 3.89Å; H547-F727 AromaticContact CG-CD1 3.67Å; L698-F727 HydrophobicContact CD1-CD1 3.75Å; L698-F727 HydrophobicContact CD1-CE1 4.29Å; L698-F727 HydrophobicContact CD1-CG 4.48Å; L725-F727 HydrophobicContact CB-CE1 4.45Å; L725-F727 HydrophobicContact CB-CZ 4.45Å; L725-F727 HydrophobicContact CD2-CE1 3.89Å; L725-F727 HydrophobicContact CD2-CZ 4.16Å; F727-F729 VanDerWaalsContact CB-O 3.25Å; F727-F729 WeakPolarHBondContact CB-O 3.22Å; F727-F729 PolarHBondContact O-N 2.74Å; F727-R730 HydrophobicContact CB-CG 3.94Å; F727-R730 HydrophobicContact CD2-CG 3.97Å; F727-R730 HydrophobicContact CG-CG 4.37Å
728	A	85.2	Confident	93.1	Very high	31 Å²	31	35.2 Å²	35.2	26%	0.256	17%	0.168	S	C	.	.	S	Bend	trans	-68.5	-27.5	178.6	0	0	0	0	0	113.4	H696	H696-A728 VanDerWaalsContact C-CB 3.48Å
729	F	85.2	Confident	92.9	Very high	108 Å²	108	37.8 Å²	37.8	47%	0.474	18%	0.18	S	C	.	.	S	Bend	trans	-156.1	159.6	173.5	63.3	-92.7	0	0	0	105.6	H547 F727	H547-F729 AromaticContact CE1-CD1 3.61Å; H547-F729 AromaticContact CE1-CE1 3.29Å; H547-F729 WeakPolarHBondContact CE1-CE1 3.42Å; H547-F729 AromaticContact CE1-CZ 3.65Å; H547-F729 AromaticContact NE2-CD1 3.73Å; H547-F729 AromaticContact NE2-CD2 3.89Å; H547-F729 AromaticContact NE2-CE1 3.58Å; H547-F729 AromaticContact NE2-CE2 3.73Å; H547-F729 AromaticContact NE2-CG 3.88Å; H547-F729 AromaticContact NE2-CZ 3.56Å; H547-F729 PolarHBondContact NE2-O 3.42Å; F727-F729 VanDerWaalsContact CB-O 3.25Å; F727-F729 WeakPolarHBondContact CB-O 3.22Å; F727-F729 PolarHBondContact O-N 2.74Å
730	R	85.6	Confident	92.8	Very high	78 Å²	78	39.7 Å²	39.7	29%	0.294	19%	0.192	S	C	.	.			trans	-122.9	127.1	175	-64.1	173.9	56.5	124.5	11.7	110.4	D415 F545 F727 D732	D415-R730 IonicContact OD1-NH1 3.86Å; D415-R730 PolarHBondContact OD1-NH1 3.47Å; D415-R730 WeakPolarHBondContact OD2-CD 3.41Å; D415-R730 IonicContact OD2-NH1 2.85Å; F545-R730 HydrophobicContact CB-CB 4.43Å; F727-R730 HydrophobicContact CB-CG 3.94Å; F727-R730 HydrophobicContact CD2-CG 3.97Å; F727-R730 HydrophobicContact CG-CG 4.37Å; R730-D732 WeakPolarHBondContact CB-OD2 3.29Å; R730-D732 IonicContact CZ-OD1 3.02Å; R730-D732 IonicContact CZ-OD2 2.86Å; R730-D732 IonicContact NE-OD1 2.83Å; R730-D732 PolarHBondContact NE-OD1 3.43Å; R730-D732 VanDerWaalsContact NE-OD1 3.12Å; R730-D732 IonicContact NE-OD2 3.15Å; R730-D732 PolarHBondContact NE-OD2 3.48Å; R730-D732 IonicContact NH2-OD1 3.74Å; R730-D732 PolarHBondContact NH2-OD1 3.07Å; R730-D732 IonicContact NH2-OD2 2.73Å; R730-D732 PolarHBondContact O-N 2.81Å
731	D	87.4	Confident	92.6	Very high	49 Å²	49	42 Å²	42	26%	0.262	21%	0.21	S	C	.	.			trans	-91.4	75.4	167.3	-170.1	-18.2	0	0	0	108.7	R517 F545 M733	R517-D731 IonicContact CZ-OD1 3.75Å; R517-D731 IonicContact CZ-OD2 3.96Å; R517-D731 IonicContact NH1-OD1 3.08Å; R517-D731 IonicContact NH1-OD2 3.24Å; R517-D731 PolarHBondContact NH1-OD2 2.78Å; R517-D731 IonicContact NH2-OD1 3.81Å; R517-D731 PolarHBondContact NH2-OD1 2.75Å; R517-D731 IonicContact NH2-OD2 3.85Å; R517-D731 PolarHBondContact NH2-OD2 3.28Å; F545-D731 WeakPolarHBondContact O-CB 3.35Å; F545-D731 PolarHBondContact O-N 2.68Å; D731-M733 PolarHBondContact O-N 2.91Å; D731-M733 PolarHBondContact OD1-N 3.25Å
732	D	88.3	Confident	92.4	Very high	76 Å²	76	48.9 Å²	48.9	41%	0.406	25%	0.247	S	C	.	.			trans	-83.8	28.5	175.2	-58.3	-67.7	0	0	0	111.8	F515 F545 R730	F515-D732 WeakPolarHBondContact CE1-O 3.2Å; F545-D732 WeakPolarHBondContact CD1-OD1 3.46Å; F545-D732 WeakPolarHBondContact CE1-OD1 3.38Å; R730-D732 WeakPolarHBondContact CB-OD2 3.29Å; R730-D732 IonicContact CZ-OD1 3.02Å; R730-D732 IonicContact CZ-OD2 2.86Å; R730-D732 IonicContact NE-OD1 2.83Å; R730-D732 PolarHBondContact NE-OD1 3.43Å; R730-D732 VanDerWaalsContact NE-OD1 3.12Å; R730-D732 IonicContact NE-OD2 3.15Å; R730-D732 PolarHBondContact NE-OD2 3.48Å; R730-D732 IonicContact NH2-OD1 3.74Å; R730-D732 PolarHBondContact NH2-OD1 3.07Å; R730-D732 IonicContact NH2-OD2 2.73Å; R730-D732 PolarHBondContact O-N 2.81Å
733	M	89.7	Confident	92.4	Very high	82 Å²	82	50.3 Å²	50.3	40%	0.404	25%	0.254	S	S	.	.			trans	-99.2	122.7	174.8	-171.5	64.3	73.3	0	0	110	R517 D731 E757 T758	R517-M733 PolarHBondContact NH2-O 2.96Å; D731-M733 PolarHBondContact O-N 2.91Å; D731-M733 PolarHBondContact OD1-N 3.25Å; M733-E757 HydrophobicContact CG-CB 4.43Å; M733-E757 HydrophobicContact SD-CB 4.2Å; M733-E757 HydrophobicContact SD-CG 4.48Å; M733-T758 HydrophobicContact CG-CG2 4.22Å
734	P	93.2	Very high	92.4	Very high	16 Å²	16	50.2 Å²	50.2	10%	0.104	25%	0.253	C	S	.	.			trans	-70.8	155.9	174.2	32.6	-35.7	0	0	0	110	P514 F515 E757	P514-P734 HydrophobicContact CB-CB 3.65Å; F515-P734 HydrophobicContact CE1-CB 4.34Å; P734-E757 HydrophobicContact CG-CG 4.5Å
735	L	92.8	Very high	92.3	Very high	9 Å²	9	52 Å²	52	5%	0.047	27%	0.265	C	S	.	.	S	Bend	trans	-72.8	-35.8	171.5	-59.5	-174.8	0	0	0	111	E757 T758 F760 I826	L735-E757 PolarHBondContact O-N 3.23Å; L735-T758 WeakPolarHBondContact CD2-OG1 3.33Å; L735-F760 HydrophobicContact CB-CD1 3.97Å; L735-F760 HydrophobicContact CB-CE1 4.07Å; L735-F760 HydrophobicContact CD1-CB 4.39Å; L735-F760 HydrophobicContact CD1-CD1 4.44Å; L735-F760 HydrophobicContact CD1-CG 4.3Å; L735-I826 HydrophobicContact CB-CB 4.09Å; L735-I826 HydrophobicContact CB-CD1 3.91Å; L735-I826 HydrophobicContact CB-CG1 4.36Å; L735-I826 HydrophobicContact CD1-CB 4Å; L735-I826 HydrophobicContact CD1-CD1 3.94Å; L735-I826 HydrophobicContact CD1-CG2 4Å; L735-I826 HydrophobicContact CG-CB 4.3Å; L735-I826 PolarHBondContact N-O 3.23Å
736	V	95.1	Very high	92.3	Very high	1 Å²	1	60 Å²	60	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128	178.3	-170.6	0	0	0	0	110.1	Y754 R755 M756 F760 Y817 I826 G827	V736-Y754 HydrophobicContact CG1-CD2 4.03Å; V736-Y754 HydrophobicContact CG1-CG 4.45Å; V736-R755 WeakPolarHBondContact CA-O 3.41Å; V736-M756 HydrophobicContact CB-SD 4.34Å; V736-M756 HydrophobicContact CG1-SD 4.02Å; V736-M756 HydrophobicContact CG2-CE 4.36Å; V736-M756 HydrophobicContact CG2-SD 3.65Å; V736-F760 HydrophobicContact CG2-CE1 3.77Å; V736-F760 HydrophobicContact CG2-CZ 3.69Å; V736-Y817 HydrophobicContact CB-CD1 4.47Å; V736-Y817 HydrophobicContact CB-CD2 4.41Å; V736-Y817 HydrophobicContact CB-CG 4.15Å; V736-Y817 HydrophobicContact CG1-CD2 3.82Å; V736-Y817 HydrophobicContact CG1-CE2 4.36Å; V736-Y817 HydrophobicContact CG1-CG 4.03Å; V736-Y817 HydrophobicContact CG2-CD1 3.79Å; V736-Y817 HydrophobicContact CG2-CD2 4.23Å; V736-Y817 HydrophobicContact CG2-CE1 3.99Å; V736-Y817 HydrophobicContact CG2-CE2 4.42Å; V736-Y817 HydrophobicContact CG2-CG 3.92Å; V736-I826 HydrophobicContact CG2-CD1 3.79Å; V736-I826 HydrophobicContact CG2-CG1 4.02Å; V736-I826 PolarHBondContact N-O 3.3Å; V736-G827 WeakPolarHBondContact O-CA 3.39Å
737	R	95.7	Very high	92.2	Very high	107 Å²	107	57.7 Å²	57.7	40%	0.404	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	133.5	165.6	-173.3	179	-56.1	-82.4	-9.6	109.6	Y754 R755 E757	R737-Y754 CarbonylContact O-C 3.6Å; R737-Y754 WeakPolarHBondContact O-CA 3.39Å; R737-Y754 WeakPolarHBondContact O-CB 3.29Å; R737-R755 PolarHBondContact N-O 3.29Å; R737-R755 PolarHBondContact O-N 2.8Å; R737-E757 HydrophobicContact CB-CG 4Å; R737-E757 IonicContact CZ-OE1 3.75Å; R737-E757 IonicContact NE-OE1 3.77Å; R737-E757 PolarHBondContact NE-OE1 3.47Å; R737-E757 IonicContact NH2-OE1 2.82Å; R737-E757 PolarHBondContact NH2-OE1 3.04Å
738	L	96.4	Very high	92.5	Very high	16 Å²	16	63.5 Å²	63.5	8%	0.084	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	144.4	171.7	-73.8	153.1	0	0	0	110	V752 I768 L815 T829	L738-V752 HydrophobicContact CD2-CG1 3.62Å; L738-I768 HydrophobicContact CD2-CD1 3.82Å; L738-I768 HydrophobicContact CD2-CG1 4.19Å; L738-I768 HydrophobicContact CD2-CG2 4.15Å; L738-L815 HydrophobicContact CD1-CB 4.36Å; L738-T829 HydrophobicContact CB-CG2 3.45Å; L738-T829 VanDerWaalsContact CB-CG2 3.45Å; L738-T829 HydrophobicContact CD1-CG2 4.34Å; L738-T829 HydrophobicContact CG-CG2 4.48Å
739	E	95.1	Very high	92.9	Very high	54 Å²	54	65.6 Å²	65.6	25%	0.252	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	123.2	178.7	-76.7	170.2	-167	0	0	108.7	R753 R755	E739-R753 HydrophobicContact CB-CB 3.97Å; E739-R753 PolarHBondContact N-O 3.49Å; E739-R753 PolarHBondContact O-N 3.45Å; E739-R755 VanDerWaalsContact CD-NE 3.34Å; E739-R755 IonicContact OE1-CZ 2.76Å; E739-R755 IonicContact OE1-NE 3.72Å; E739-R755 PolarHBondContact OE1-NE 2.94Å; E739-R755 IonicContact OE1-NH2 3.58Å; E739-R755 PolarHBondContact OE1-NH2 3.02Å; E739-R755 IonicContact OE2-CZ 3.38Å; E739-R755 IonicContact OE2-NE 3.12Å; E739-R755 PolarHBondContact OE2-NE 2.92Å; E739-R755 IonicContact OE2-NH2 2.74Å; E739-R755 PolarHBondContact OE2-NH2 3.1Å
740	V	96.1	Very high	93.4	Very high	41 Å²	41	60.5 Å²	60.5	25%	0.248	30%	0.296	C	S	.	.			trans	-138.7	160.2	-178.4	68.6	0	0	0	0	109	W744 L815 T829 F832	V740-W744 HydrophobicContact CG2-CZ2 3.5Å; V740-L815 HydrophobicContact CB-CD1 3.8Å; V740-L815 HydrophobicContact CG1-CD1 4.22Å; V740-L815 HydrophobicContact CG2-CD1 3.68Å; V740-T829 HydrophobicContact CG1-CG2 4.02Å; V740-F832 HydrophobicContact CG1-CB 4.28Å; V740-F832 HydrophobicContact CG1-CD1 4.02Å; V740-F832 HydrophobicContact CG1-CD2 4.41Å; V740-F832 HydrophobicContact CG1-CG 3.97Å; V740-F832 HydrophobicContact CG2-CD2 4.01Å; V740-F832 HydrophobicContact CG2-CE2 3.9Å; V740-F832 HydrophobicContact CG2-CG 4.38Å; V740-F832 HydrophobicContact CG2-CZ 4.18Å
741	A	94.7	Very high	93.9	Very high	48 Å²	48	58.6 Å²	58.6	40%	0.397	29%	0.294	S	S	.	.			trans	-76.6	150.2	168.1	0	0	0	0	0	110.8	E743	A741-E743 PolarHBondContact O-N 3.34Å
742	D	94.2	Very high	94.3	Very high	145 Å²	145	56.3 Å²	56.3	78%	0.775	28%	0.281	S	S	*	.	S	Bend	trans	-64.7	-25.6	-175.4	-49	-65.8	0	0	0	113.4	Q833	D742-Q833 PolarHBondContact O-N 3.46Å
743	E	96.1	Very high	94.6	Very high	78 Å²	78	57.6 Å²	57.6	36%	0.364	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	140.4	174	-170.2	-178.5	-158.9	0	0	112.8	A741 V745 Q833 S835	A741-E743 PolarHBondContact O-N 3.34Å; E743-V745 HydrophobicContact CG-CG1 3.86Å; E743-V745 WeakPolarHBondContact OE1-CG1 3.48Å; E743-V745 WeakPolarHBondContact OE2-CG1 3.48Å; E743-Q833 CarbonylContact C-O 3.52Å; E743-Q833 VanDerWaalsContact CA-O 3.28Å; E743-Q833 WeakPolarHBondContact CA-O 3.38Å; E743-Q833 HydrophobicContact CB-CB 4.39Å; E743-Q833 HydrophobicContact CG-CB 4.05Å; E743-S835 WeakPolarHBondContact OE1-CB 3.4Å; E743-S835 PolarHBondContact OE1-OG 3.45Å
744	W	96.1	Very high	94.8	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	98.2	165.9	-62.4	-7.5	0	0	0	110.9	V740 Q749 A750 V752 L770 F801 L806 L815 F832 Q833 I834 S835	V740-W744 HydrophobicContact CG2-CZ2 3.5Å; W744-Q749 HydrophobicContact CB-CB 4.43Å; W744-Q749 HydrophobicContact CG-CB 4.33Å; W744-Q749 PolarHBondContact NE1-O 2.97Å; W744-Q749 VanDerWaalsContact NE1-O 3.08Å; W744-A750 HydrophobicContact CD2-CB 4.15Å; W744-A750 HydrophobicContact CE3-CB 3.74Å; W744-A750 HydrophobicContact CH2-CB 4.08Å; W744-A750 HydrophobicContact CZ2-CB 4.44Å; W744-A750 HydrophobicContact CZ3-CB 3.71Å; W744-V752 HydrophobicContact CH2-CG2 4.06Å; W744-V752 HydrophobicContact CZ2-CG2 3.94Å; W744-L770 HydrophobicContact CZ3-CD2 4.33Å; W744-F801 AromaticContact CH2-CD2 3.99Å; W744-F801 HydrophobicContact CH2-CD2 3.99Å; W744-F801 HydrophobicContact CH2-CE2 4.3Å; W744-F801 HydrophobicContact CZ3-CD2 4.5Å; W744-L806 HydrophobicContact CE3-CD2 4.17Å; W744-L806 HydrophobicContact CZ3-CD2 3.82Å; W744-L815 HydrophobicContact CH2-CD1 4.49Å; W744-L815 HydrophobicContact CZ2-CD1 4.38Å; W744-F832 AromaticContact CD2-CE2 3.73Å; W744-F832 HydrophobicContact CD2-CE2 3.73Å; W744-F832 AromaticContact CE2-CE2 3.65Å; W744-F832 HydrophobicContact CE3-CE2 4.06Å; W744-F832 HydrophobicContact CG-CE2 4.21Å; W744-F832 HydrophobicContact CH2-CE2 4.27Å; W744-F832 HydrophobicContact CH2-CZ 4.16Å; W744-F832 AromaticContact CZ2-CE2 3.96Å; W744-F832 HydrophobicContact CZ2-CE2 3.96Å; W744-F832 HydrophobicContact CZ2-CZ 4.16Å; W744-F832 HydrophobicContact CZ3-CE2 4.3Å; W744-F832 HydrophobicContact CZ3-CZ 4.34Å; W744-Q833 PolarHBondContact N-O 2.77Å; W744-I834 HydrophobicContact CB-CG1 4.27Å; W744-I834 HydrophobicContact CB-CG2 4.43Å; W744-I834 HydrophobicContact CD2-CD1 4.39Å; W744-I834 HydrophobicContact CD2-CG1 4.3Å; W744-I834 HydrophobicContact CE3-CD1 3.54Å; W744-I834 HydrophobicContact CE3-CG1 3.88Å; W744-I834 HydrophobicContact CZ3-CD1 3.86Å; W744-S835 PolarHBondContact O-N 3.16Å
745	V	95	Very high	94.8	Very high	58 Å²	58	57.5 Å²	57.5	35%	0.352	27%	0.273	S	S	.	.	S	Bend	trans	-90	-12.9	173.6	-66.6	0	0	0	0	113.5	E743	E743-V745 HydrophobicContact CG-CG1 3.86Å; E743-V745 WeakPolarHBondContact OE1-CG1 3.48Å; E743-V745 WeakPolarHBondContact OE2-CG1 3.48Å
746	R	93.9	Very high	94.8	Very high	167 Å²	167	57.7 Å²	57.7	63%	0.63	27%	0.274	S	S	*	.	S	Bend	trans	-141.7	152.3	176.1	-54.8	179.6	-171.9	160.3	3.6	112.5	E748 Q749 L836	R746-E748 VanDerWaalsContact C-N 3.25Å; R746-E748 WeakPolarHBondContact CB-OE2 3.1Å; R746-E748 PolarHBondContact O-N 3.03Å; R746-Q749 WeakPolarHBondContact O-CB 3.36Å; R746-Q749 PolarHBondContact O-N 3.29Å; R746-L836 VanDerWaalsContact C-CD2 3.42Å
747	P	92.7	Very high	94.4	Very high	28 Å²	28	61.1 Å²	61.1	18%	0.182	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-59	-30	-177	-24.9	35.5	0	0	0	114.6	Q749 A750 E803 L806 L836	P747-Q749 PolarHBondContact O-N 3.39Å; P747-A750 WeakPolarHBondContact O-CB 3.5Å; P747-A750 PolarHBondContact O-N 3.11Å; P747-A750 VanDerWaalsContact O-N 3.1Å; P747-E803 HydrophobicContact CB-CB 3.95Å; P747-E803 HydrophobicContact CB-CG 3.87Å; P747-E803 HydrophobicContact CG-CB 4.41Å; P747-E803 HydrophobicContact CG-CG 3.76Å; P747-L806 HydrophobicContact CB-CD1 4.11Å; P747-L836 HydrophobicContact CG-CD2 4.27Å
748	E	93.4	Very high	93.9	Very high	141 Å²	141	58.3 Å²	58.3	66%	0.659	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-68.6	-17.4	180	-50.4	78.9	-171.7	0	0	112.8	R746 A750	R746-E748 VanDerWaalsContact C-N 3.25Å; R746-E748 WeakPolarHBondContact CB-OE2 3.1Å; R746-E748 PolarHBondContact O-N 3.03Å; E748-A750 VanDerWaalsContact C-N 3.3Å
749	Q	94.4	Very high	93.3	Very high	75 Å²	75	64.9 Å²	64.9	35%	0.35	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-81.2	-7.1	175	-61.8	176.1	-74.9	0	0	113.2	W744 R746 P747 V751	W744-Q749 HydrophobicContact CB-CB 4.43Å; W744-Q749 HydrophobicContact CG-CB 4.33Å; W744-Q749 PolarHBondContact NE1-O 2.97Å; W744-Q749 VanDerWaalsContact NE1-O 3.08Å; R746-Q749 WeakPolarHBondContact O-CB 3.36Å; R746-Q749 PolarHBondContact O-N 3.29Å; P747-Q749 PolarHBondContact O-N 3.39Å; Q749-V751 PolarHBondContact O-N 3.42Å
750	A	95.4	Very high	93	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.32	C	S	.	.			trans	-73.4	43.7	-175.6	0	0	0	0	0	114.4	W744 P747 E748 T800 F801 L806	W744-A750 HydrophobicContact CD2-CB 4.15Å; W744-A750 HydrophobicContact CE3-CB 3.74Å; W744-A750 HydrophobicContact CH2-CB 4.08Å; W744-A750 HydrophobicContact CZ2-CB 4.44Å; W744-A750 HydrophobicContact CZ3-CB 3.71Å; P747-A750 WeakPolarHBondContact O-CB 3.5Å; P747-A750 PolarHBondContact O-N 3.11Å; P747-A750 VanDerWaalsContact O-N 3.1Å; E748-A750 VanDerWaalsContact C-N 3.3Å; A750-T800 WeakPolarHBondContact O-CA 3.04Å; A750-T800 WeakPolarHBondContact O-CG2 3.25Å; A750-F801 HydrophobicContact CB-CB 4.16Å; A750-F801 PolarHBondContact O-N 2.96Å; A750-L806 HydrophobicContact CB-CD1 3.59Å; A750-L806 HydrophobicContact CB-CD2 3.94Å; A750-L806 HydrophobicContact CB-CG 4.36Å
751	V	95.4	Very high	92.6	Very high	39 Å²	39	65.1 Å²	65.1	24%	0.236	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	130.7	-176.7	176.1	0	0	0	0	108.8	Q749 Q798 V799 T800	Q749-V751 PolarHBondContact O-N 3.42Å; V751-Q798 HydrophobicContact CG1-CG 3.62Å; V751-Q798 VanDerWaalsContact CG1-NE2 3.32Å; V751-V799 WeakPolarHBondContact CA-O 3.14Å; V751-T800 HydrophobicContact CG2-CG2 3.99Å
752	V	96.4	Very high	92.3	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.7	174.4	-176.3	0	0	0	0	109	L738 W744 I768 Q798 V799 F801 L815	L738-V752 HydrophobicContact CD2-CG1 3.62Å; W744-V752 HydrophobicContact CH2-CG2 4.06Å; W744-V752 HydrophobicContact CZ2-CG2 3.94Å; V752-I768 HydrophobicContact CG1-CD1 4.39Å; V752-I768 HydrophobicContact CG1-CG2 4.49Å; V752-Q798 WeakPolarHBondContact O-CA 3.1Å; V752-V799 HydrophobicContact CB-CG2 4.07Å; V752-V799 PolarHBondContact N-O 2.89Å; V752-V799 PolarHBondContact O-N 2.76Å; V752-F801 HydrophobicContact CG2-CD2 4.26Å; V752-F801 HydrophobicContact CG2-CE2 3.79Å; V752-L815 HydrophobicContact CB-CD1 4.39Å; V752-L815 HydrophobicContact CG1-CD1 4.05Å; V752-L815 HydrophobicContact CG2-CD1 3.41Å; V752-L815 VanDerWaalsContact CG2-CD1 3.41Å; V752-L815 HydrophobicContact CG2-CD2 3.89Å; V752-L815 HydrophobicContact CG2-CG 4.29Å
753	R	95.1	Very high	92.2	Very high	103 Å²	103	59 Å²	59	39%	0.389	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	145.3	171.2	-64.1	172.9	63.5	82.4	-2.3	107.8	E739 Y797 Q798	E739-R753 HydrophobicContact CB-CB 3.97Å; E739-R753 PolarHBondContact N-O 3.49Å; E739-R753 PolarHBondContact O-N 3.45Å; R753-Y797 CarbonylContact C-O 3.59Å; R753-Y797 WeakPolarHBondContact CA-O 3.19Å; R753-Q798 HydrophobicContact CG-CB 4.36Å; R753-Q798 HydrophobicContact CG-CG 4.09Å
754	Y	94.6	Very high	92.1	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	150.3	176.1	64.2	-87	0	0	0	112	V736 R737 M756 I768 K788 T796 Y797 V799 Y817	V736-Y754 HydrophobicContact CG1-CD2 4.03Å; V736-Y754 HydrophobicContact CG1-CG 4.45Å; R737-Y754 CarbonylContact O-C 3.6Å; R737-Y754 WeakPolarHBondContact O-CA 3.39Å; R737-Y754 WeakPolarHBondContact O-CB 3.29Å; Y754-M756 HydrophobicContact CD2-CE 4.13Å; Y754-M756 HydrophobicContact CD2-SD 4.4Å; Y754-M756 HydrophobicContact CE2-CE 3.78Å; Y754-I768 HydrophobicContact CD1-CD1 3.38Å; Y754-I768 HydrophobicContact CE1-CD1 3.62Å; Y754-I768 HydrophobicContact CG-CD1 3.98Å; Y754-K788 PolarHBondContact OH-N 3.33Å; Y754-K788 PolarHBondContact OH-O 3.45Å; Y754-K788 VanDerWaalsContact OH-O 3.06Å; Y754-T796 WeakPolarHBondContact O-CA 3.39Å; Y754-Y797 HydrophobicContact CD2-CD2 4.17Å; Y754-Y797 AromaticContact CE2-CD2 3.71Å; Y754-Y797 HydrophobicContact CE2-CD2 3.71Å; Y754-Y797 AromaticContact CE2-CG 3.83Å; Y754-Y797 HydrophobicContact CE2-CG 3.83Å; Y754-Y797 AromaticContact CZ-CG 3.92Å; Y754-Y797 PolarHBondContact N-O 3.23Å; Y754-Y797 PolarHBondContact O-N 2.9Å; Y754-Y797 WeakPolarHBondContact OH-CB 3.33Å; Y754-V799 HydrophobicContact CE1-CG1 4.15Å; Y754-V799 HydrophobicContact CE1-CG2 4.24Å; Y754-Y817 HydrophobicContact CD2-CD2 4.32Å; Y754-Y817 HydrophobicContact CD2-CE2 4.07Å; Y754-Y817 HydrophobicContact CE2-CD2 4.5Å; Y754-Y817 AromaticContact CE2-CE2 3.85Å; Y754-Y817 HydrophobicContact CE2-CE2 3.85Å
755	R	92.8	Very high	92	Very high	96 Å²	96	63.2 Å²	63.2	36%	0.362	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137.2	-176.3	-49.8	-169	-162.8	-162.4	4.4	111.2	V736 R737 E739 E757 N795 T796	V736-R755 WeakPolarHBondContact CA-O 3.41Å; R737-R755 PolarHBondContact N-O 3.29Å; R737-R755 PolarHBondContact O-N 2.8Å; E739-R755 VanDerWaalsContact CD-NE 3.34Å; E739-R755 IonicContact OE1-CZ 2.76Å; E739-R755 IonicContact OE1-NE 3.72Å; E739-R755 PolarHBondContact OE1-NE 2.94Å; E739-R755 IonicContact OE1-NH2 3.58Å; E739-R755 PolarHBondContact OE1-NH2 3.02Å; E739-R755 IonicContact OE2-CZ 3.38Å; E739-R755 IonicContact OE2-NE 3.12Å; E739-R755 PolarHBondContact OE2-NE 2.92Å; E739-R755 IonicContact OE2-NH2 2.74Å; E739-R755 PolarHBondContact OE2-NH2 3.1Å; R755-E757 PolarHBondContact O-N 3.03Å; R755-N795 VanDerWaalsContact CA-O 3.28Å; R755-N795 WeakPolarHBondContact CA-O 3.23Å; R755-T796 HydrophobicContact CG-CG2 4.11Å
756	M	91.7	Very high	92	Very high	14 Å²	14	60.4 Å²	60.4	7%	0.069	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	104.5	170.5	-56.1	-45.1	-165.3	0	0	109.3	V736 Y754 F760 R762 N795 Y797 Y817	V736-M756 HydrophobicContact CB-SD 4.34Å; V736-M756 HydrophobicContact CG1-SD 4.02Å; V736-M756 HydrophobicContact CG2-CE 4.36Å; V736-M756 HydrophobicContact CG2-SD 3.65Å; Y754-M756 HydrophobicContact CD2-CE 4.13Å; Y754-M756 HydrophobicContact CD2-SD 4.4Å; Y754-M756 HydrophobicContact CE2-CE 3.78Å; M756-F760 HydrophobicContact CE-CE1 4.36Å; M756-F760 HydrophobicContact CE-CZ 3.98Å; M756-F760 HydrophobicContact SD-CE1 3.81Å; M756-F760 HydrophobicContact SD-CZ 3.99Å; M756-R762 HydrophobicContact CE-CG 4.48Å; M756-N795 PolarHBondContact N-O 3.17Å; M756-N795 VanDerWaalsContact N-O 3.13Å; M756-N795 PolarHBondContact O-ND2 3.3Å; M756-Y797 HydrophobicContact CG-CD2 4.48Å; M756-Y797 HydrophobicContact CG-CE2 3.96Å; M756-Y817 HydrophobicContact CE-CE2 4.05Å; M756-Y817 WeakPolarHBondContact CE-OH 3.47Å
757	E	88	Confident	92.2	Very high	73 Å²	73	54.1 Å²	54.1	34%	0.341	28%	0.28	S	S	.	.			trans	-79.2	-27	-178.8	-63.7	-78.2	-137.1	0	0	111.6	M733 P734 L735 R737 R755	M733-E757 HydrophobicContact CG-CB 4.43Å; M733-E757 HydrophobicContact SD-CB 4.2Å; M733-E757 HydrophobicContact SD-CG 4.48Å; P734-E757 HydrophobicContact CG-CG 4.5Å; L735-E757 PolarHBondContact O-N 3.23Å; R737-E757 HydrophobicContact CB-CG 4Å; R737-E757 IonicContact CZ-OE1 3.75Å; R737-E757 IonicContact NE-OE1 3.77Å; R737-E757 PolarHBondContact NE-OE1 3.47Å; R737-E757 IonicContact NH2-OE1 2.82Å; R737-E757 PolarHBondContact NH2-OE1 3.04Å; R755-E757 PolarHBondContact O-N 3.03Å
758	T	84.5	Confident	92.4	Very high	48 Å²	48	52.8 Å²	52.8	29%	0.294	27%	0.272	S	S	.	.	S	Bend	trans	-138	158.2	177.7	56.5	0	0	0	0	110.6	M733 L735	M733-T758 HydrophobicContact CG-CG2 4.22Å; L735-T758 WeakPolarHBondContact CD2-OG1 3.33Å
759	V	84.7	Confident	92.6	Very high	154 Å²	154	46.1 Å²	46.1	93%	0.933	24%	0.24	S	C	*	.			trans	-86.7	114.6	178.6	-178.1	0	0	0	0	109.5
760	F	87.4	Confident	92.8	Very high	29 Å²	29	42.5 Å²	42.5	13%	0.127	22%	0.223	C	C	.	.			trans	-128.8	164.2	173.7	65.4	-85.1	0	0	0	111	L735 V736 M756 R762 Y817 I826	L735-F760 HydrophobicContact CB-CD1 3.97Å; L735-F760 HydrophobicContact CB-CE1 4.07Å; L735-F760 HydrophobicContact CD1-CB 4.39Å; L735-F760 HydrophobicContact CD1-CD1 4.44Å; L735-F760 HydrophobicContact CD1-CG 4.3Å; V736-F760 HydrophobicContact CG2-CE1 3.77Å; V736-F760 HydrophobicContact CG2-CZ 3.69Å; M756-F760 HydrophobicContact CE-CE1 4.36Å; M756-F760 HydrophobicContact CE-CZ 3.98Å; M756-F760 HydrophobicContact SD-CE1 3.81Å; M756-F760 HydrophobicContact SD-CZ 3.99Å; F760-R762 HydrophobicContact CD2-CG 4.07Å; F760-R762 HydrophobicContact CE2-CB 4.4Å; F760-R762 HydrophobicContact CE2-CG 3.62Å; F760-R762 HydrophobicContact CZ-CG 3.87Å; F760-R762 PolarHBondContact O-N 3.42Å; F760-R762 VanDerWaalsContact O-N 3.11Å; F760-Y817 HydrophobicContact CZ-CE1 4.29Å; F760-I826 HydrophobicContact CD2-CD1 4.09Å; F760-I826 HydrophobicContact CE1-CD1 4.09Å; F760-I826 HydrophobicContact CE2-CD1 3.48Å; F760-I826 VanDerWaalsContact CE2-CD1 3.48Å; F760-I826 HydrophobicContact CZ-CD1 3.48Å; F760-I826 VanDerWaalsContact CZ-CD1 3.48Å
761	A	87.4	Confident	92.9	Very high	71 Å²	71	42.5 Å²	42.5	59%	0.587	22%	0.223	S	C	*	.			trans	-73.9	102.4	174.9	0	0	0	0	0	109.5	N821	A761-N821 PolarHBondContact O-ND2 3.01Å
762	R	90.1	Very high	93	Very high	47 Å²	47	45.8 Å²	45.8	18%	0.177	23%	0.231	C	C	.	.			trans	-76.3	166.5	177.9	-62.6	170.7	63.9	178.3	6.4	111.8	M756 F760 D766 K788 Y797 N821	M756-R762 HydrophobicContact CE-CG 4.48Å; F760-R762 HydrophobicContact CD2-CG 4.07Å; F760-R762 HydrophobicContact CE2-CB 4.4Å; F760-R762 HydrophobicContact CE2-CG 3.62Å; F760-R762 HydrophobicContact CZ-CG 3.87Å; F760-R762 PolarHBondContact O-N 3.42Å; F760-R762 VanDerWaalsContact O-N 3.11Å; R762-D766 WeakPolarHBondContact CA-OD2 3.21Å; R762-K788 PolarHBondContact NH2-O 2.81Å; R762-Y797 VanDerWaalsContact NH1-CZ 3.29Å; R762-Y797 PolarHBondContact NH1-OH 3.05Å; R762-N821 PolarHBondContact O-ND2 2.78Å
763	S	91.8	Very high	93	Very high	18 Å²	18	48.6 Å²	48.6	13%	0.126	25%	0.248	C	C	.	.			trans	-135.1	146.7	174.4	-167.1	0	0	0	0	111.9	W765 D766	S763-W765 PolarHBondContact O-N 2.9Å; S763-W765 VanDerWaalsContact O-N 3.12Å; S763-W765 PolarHBondContact OG-N 2.84Å; S763-D766 WeakPolarHBondContact CB-OD1 3.19Å; S763-D766 PolarHBondContact N-OD2 3.28Å; S763-D766 WeakPolarHBondContact O-CB 3.41Å; S763-D766 VanDerWaalsContact O-CG 3.31Å; S763-D766 PolarHBondContact O-N 3.4Å
764	S	92.7	Very high	92.9	Very high	90 Å²	90	45.1 Å²	45.1	63%	0.629	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-9	164.6	-50.2	0	0	0	0	112.9
765	W	94.3	Very high	93	Very high	76 Å²	76	45.7 Å²	45.7	29%	0.288	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	9.6	172.2	-59.7	95.6	0	0	0	113.4	S763 W767 W786 H820 P873	S763-W765 PolarHBondContact O-N 2.9Å; S763-W765 VanDerWaalsContact O-N 3.12Å; S763-W765 PolarHBondContact OG-N 2.84Å; W765-W767 WeakPolarHBondContact O-CZ3 3.32Å; W765-W786 HydrophobicContact CB-CZ3 4.47Å; W765-W786 AromaticContact CE3-CH2 3.78Å; W765-W786 HydrophobicContact CE3-CH2 3.78Å; W765-W786 HydrophobicContact CE3-CZ3 4.01Å; W765-W786 HydrophobicContact CZ3-CH2 4.19Å; W765-H820 HydrophobicContact CB-CB 3.81Å; W765-P873 HydrophobicContact CH2-CG 4.29Å; W765-P873 HydrophobicContact CZ3-CG 4.48Å
766	D	95.8	Very high	93.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.241	C	C	.	.			trans	-75.3	143.2	169.5	-63.4	-19.6	0	0	0	110	R762 S763 A787 Y817 Y818 S819 H820	R762-D766 WeakPolarHBondContact CA-OD2 3.21Å; S763-D766 WeakPolarHBondContact CB-OD1 3.19Å; S763-D766 PolarHBondContact N-OD2 3.28Å; S763-D766 WeakPolarHBondContact O-CB 3.41Å; S763-D766 VanDerWaalsContact O-CG 3.31Å; S763-D766 PolarHBondContact O-N 3.4Å; D766-A787 HydrophobicContact CB-CB 4.1Å; D766-A787 PolarHBondContact O-N 2.69Å; D766-Y817 HydrophobicContact CB-CE1 3.84Å; D766-Y817 WeakPolarHBondContact CB-OH 3.43Å; D766-Y817 PolarHBondContact OD2-OH 3.34Å; D766-Y818 WeakPolarHBondContact CA-O 3.28Å; D766-S819 WeakPolarHBondContact OD1-CA 3.44Å; D766-S819 PolarHBondContact OD1-OG 2.86Å; D766-H820 PolarHBondContact OD1-N 3.46Å
767	W	97	Very high	93.2	Very high	35 Å²	35	45.3 Å²	45.3	13%	0.133	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	155.9	-179.4	65.2	76.4	0	0	0	113.1	W765 Y784 V785 W786 Y817 Y818	W765-W767 WeakPolarHBondContact O-CZ3 3.32Å; W767-Y784 HydrophobicContact CB-CD2 4.06Å; W767-Y784 HydrophobicContact CG-CD2 4.25Å; W767-V785 CarbonylContact C-O 3.57Å; W767-V785 WeakPolarHBondContact CA-O 3.3Å; W767-V785 WeakPolarHBondContact CB-O 3.41Å; W767-W786 HydrophobicContact CB-CE3 4.24Å; W767-W786 HydrophobicContact CE3-CE3 4.4Å; W767-W786 HydrophobicContact CE3-CH2 4.36Å; W767-W786 AromaticContact CE3-CZ3 3.72Å; W767-W786 HydrophobicContact CE3-CZ3 3.72Å; W767-W786 HydrophobicContact CZ3-CZ3 4.36Å; W767-Y817 CarbonylContact O-C 3.59Å; W767-Y818 AromaticContact CD2-CD1 3.95Å; W767-Y818 HydrophobicContact CD2-CD1 3.95Å; W767-Y818 HydrophobicContact CD2-CG 4.36Å; W767-Y818 AromaticContact CE2-CD1 3.54Å; W767-Y818 AromaticContact CE2-CG 3.69Å; W767-Y818 HydrophobicContact CE3-CD1 4.08Å; W767-Y818 AromaticContact CH2-CD1 3.47Å; W767-Y818 HydrophobicContact CH2-CD1 3.47Å; W767-Y818 VanDerWaalsContact CH2-CD1 3.47Å; W767-Y818 AromaticContact CH2-CE1 3.43Å; W767-Y818 HydrophobicContact CH2-CE1 3.43Å; W767-Y818 VanDerWaalsContact CH2-CE1 3.43Å; W767-Y818 HydrophobicContact CH2-CG 4.29Å; W767-Y818 AromaticContact CZ2-CD1 3.3Å; W767-Y818 HydrophobicContact CZ2-CD1 3.3Å; W767-Y818 HydrophobicContact CZ2-CD2 4.27Å; W767-Y818 AromaticContact CZ2-CE1 3.62Å; W767-Y818 HydrophobicContact CZ2-CE1 3.62Å; W767-Y818 AromaticContact CZ2-CG 3.66Å; W767-Y818 HydrophobicContact CZ2-CG 3.66Å; W767-Y818 AromaticContact CZ3-CD1 3.87Å; W767-Y818 HydrophobicContact CZ3-CD1 3.87Å; W767-Y818 HydrophobicContact CZ3-CE1 4.01Å; W767-Y818 PolarHBondContact N-O 3.29Å; W767-Y818 AromaticContact NE1-CG 3.89Å; W767-Y818 PolarHBondContact O-N 3.05Å
768	I	98.1	Very high	93.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	113	168.3	-64.8	168.5	0	0	0	107.5	L738 V752 Y754 Y784 V785 V799 F801 L815 G816 Y817	L738-I768 HydrophobicContact CD2-CD1 3.82Å; L738-I768 HydrophobicContact CD2-CG1 4.19Å; L738-I768 HydrophobicContact CD2-CG2 4.15Å; V752-I768 HydrophobicContact CG1-CD1 4.39Å; V752-I768 HydrophobicContact CG1-CG2 4.49Å; Y754-I768 HydrophobicContact CD1-CD1 3.38Å; Y754-I768 HydrophobicContact CE1-CD1 3.62Å; Y754-I768 HydrophobicContact CG-CD1 3.98Å; I768-Y784 CarbonylContact O-C 3.57Å; I768-Y784 VanDerWaalsContact O-CA 3.29Å; I768-Y784 WeakPolarHBondContact O-CA 3.36Å; I768-V785 HydrophobicContact CB-CG2 4.13Å; I768-V785 PolarHBondContact N-O 3.43Å; I768-V785 PolarHBondContact O-N 2.94Å; I768-V799 HydrophobicContact CD1-CG2 3.93Å; I768-F801 HydrophobicContact CG2-CZ 4.4Å; I768-L815 HydrophobicContact CG2-CB 4.47Å; I768-L815 HydrophobicContact CG2-CD2 3.83Å; I768-G816 CarbonylContact C-O 3.57Å; I768-G816 WeakPolarHBondContact CA-O 3.33Å; I768-Y817 HydrophobicContact CD1-CD2 4Å; I768-Y817 HydrophobicContact CG1-CD2 3.61Å; I768-Y817 HydrophobicContact CG1-CE2 4.37Å; I768-Y817 HydrophobicContact CG1-CG 4.29Å
769	G	97.9	Very high	93.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	146.1	172.8	0	0	0	0	0	111.4	Y771 L815 G816	G769-Y771 VanDerWaalsContact C-CE2 3.5Å; G769-Y771 WeakPolarHBondContact O-CD2 3.33Å; G769-Y771 WeakPolarHBondContact O-CE2 3.21Å; G769-L815 WeakPolarHBondContact O-CA 3.5Å; G769-G816 PolarHBondContact N-O 3.15Å; G769-G816 PolarHBondContact O-N 3.11Å
770	L	98.1	Very high	94.3	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.4	166.8	178.6	66	0	0	0	108.1	W744 Y781 V782 A783 F801 L806 P807 F813 L815 F832 I834	W744-L770 HydrophobicContact CZ3-CD2 4.33Å; L770-Y781 CarbonylContact O-C 3.46Å; L770-Y781 VanDerWaalsContact O-CA 3.24Å; L770-Y781 WeakPolarHBondContact O-CA 3.06Å; L770-Y781 WeakPolarHBondContact O-CB 3.24Å; L770-V782 HydrophobicContact CB-CG2 4.29Å; L770-V782 HydrophobicContact CD2-CG2 3.93Å; L770-V782 HydrophobicContact CG-CG2 3.87Å; L770-V782 WeakPolarHBondContact O-CG2 3.39Å; L770-V782 PolarHBondContact O-N 3.26Å; L770-A783 HydrophobicContact CB-CB 4.21Å; L770-A783 HydrophobicContact CD2-CB 4.25Å; L770-A783 PolarHBondContact N-O 3.48Å; L770-F801 HydrophobicContact CB-CE1 3.74Å; L770-F801 HydrophobicContact CB-CZ 3.93Å; L770-L806 HydrophobicContact CD2-CD2 4.38Å; L770-P807 HydrophobicContact CD2-CG 4.24Å; L770-F813 HydrophobicContact CD1-CB 3.77Å; L770-F813 HydrophobicContact CD1-CD1 4.21Å; L770-F813 HydrophobicContact CD1-CG 4.25Å; L770-F813 HydrophobicContact CG-CD1 4.12Å; L770-L815 HydrophobicContact CB-CD2 4.19Å; L770-L815 HydrophobicContact CD1-CD2 3.92Å; L770-L815 HydrophobicContact CD1-CG 4.16Å; L770-F832 HydrophobicContact CD1-CE1 4.05Å; L770-F832 HydrophobicContact CD1-CZ 3.65Å; L770-I834 HydrophobicContact CD1-CD1 3.97Å; L770-I834 HydrophobicContact CD2-CD1 3.76Å; L770-I834 HydrophobicContact CG-CD1 4.42Å
771	Y	97.8	Very high	94.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.9	-174.6	-58.6	-91.9	0	0	0	109.6	G769 F775 C778 Y781 F813 I814 L825	G769-Y771 VanDerWaalsContact C-CE2 3.5Å; G769-Y771 WeakPolarHBondContact O-CD2 3.33Å; G769-Y771 WeakPolarHBondContact O-CE2 3.21Å; Y771-F775 HydrophobicContact CD1-CB 4.18Å; Y771-F775 HydrophobicContact CD1-CD1 4.45Å; Y771-F775 AromaticContact CD1-CD2 3.61Å; Y771-F775 HydrophobicContact CD1-CD2 3.61Å; Y771-F775 HydrophobicContact CD1-CE2 4.01Å; Y771-F775 AromaticContact CD1-CG 3.85Å; Y771-F775 HydrophobicContact CD1-CG 3.85Å; Y771-F775 HydrophobicContact CE1-CD2 4.17Å; Y771-F775 HydrophobicContact CE1-CE2 4.32Å; Y771-F775 HydrophobicContact CG-CD1 4.21Å; Y771-F775 HydrophobicContact CG-CD2 4.1Å; Y771-F775 HydrophobicContact CG-CE1 4.39Å; Y771-F775 HydrophobicContact CG-CE2 4.27Å; Y771-F775 HydrophobicContact CG-CG 4.07Å; Y771-F775 HydrophobicContact CG-CZ 4.41Å; Y771-C778 WeakPolarHBondContact CE1-O 3.22Å; Y771-C778 PolarHBondContact OH-O 3.37Å; Y771-Y781 HydrophobicContact CE1-CD1 4.38Å; Y771-F813 CarbonylContact O-C 3.48Å; Y771-F813 WeakPolarHBondContact O-CA 3.44Å; Y771-F813 WeakPolarHBondContact O-CB 3.35Å; Y771-F813 WeakPolarHBondContact O-CD1 3.35Å; Y771-I814 PolarHBondContact N-O 2.89Å; Y771-I814 PolarHBondContact O-N 2.88Å; Y771-L825 HydrophobicContact CE2-CD1 4.37Å; Y771-L825 HydrophobicContact CE2-CD2 4.3Å
772	R	96.6	Very high	95.1	Very high	107 Å²	107	42.9 Å²	42.9	40%	0.404	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	150.3	164.4	-75.3	-177.6	179.1	-82.4	3.4	109.3	G774 F775 V782 F813	R772-G774 PolarHBondContact O-N 2.96Å; R772-F775 WeakPolarHBondContact O-CB 3.47Å; R772-F775 WeakPolarHBondContact O-CD1 3.36Å; R772-F775 PolarHBondContact O-N 3.44Å; R772-V782 HydrophobicContact CG-CG1 4.11Å; R772-F813 HydrophobicContact CB-CD1 4.49Å; R772-F813 HydrophobicContact CB-CE1 4.45Å; R772-F813 HydrophobicContact CG-CD1 3.82Å; R772-F813 HydrophobicContact CG-CE1 3.34Å; R772-F813 HydrophobicContact CG-CZ 4Å
773	V	95.9	Very high	95.4	Very high	59 Å²	59	41 Å²	41	36%	0.358	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	138.3	167	173.6	0	0	0	0	109.2	D812 I814 P831	V773-D812 HydrophobicContact CB-CB 4.43Å; V773-D812 HydrophobicContact CG2-CB 3.75Å; V773-D812 PolarHBondContact N-O 2.95Å; V773-D812 VanDerWaalsContact N-O 3.12Å; V773-I814 HydrophobicContact CG2-CD1 4.06Å; V773-I814 HydrophobicContact CG2-CG1 4.09Å; V773-P831 HydrophobicContact CG2-CB 3.92Å; V773-P831 HydrophobicContact CG2-CG 4.16Å
774	G	93.9	Very high	95.7	Very high	30 Å²	30	42.9 Å²	42.9	31%	0.309	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	22.4	-172.7	0	0	0	0	0	115.2	A487 R772	A487-G774 VanDerWaalsContact CB-O 3.24Å; A487-G774 WeakPolarHBondContact CB-O 3.4Å; R772-G774 PolarHBondContact O-N 2.96Å
775	F	96.3	Very high	95.9	Very high	12 Å²	12	39.7 Å²	39.7	5%	0.053	19%	0.189	C	C	.	.			trans	-64.7	140	171.6	71.8	-81.5	0	0	0	111.9	V492 Y771 R772 D780 I814 L825	V492-F775 HydrophobicContact CB-CE2 4.33Å; V492-F775 HydrophobicContact CG1-CD2 4.14Å; V492-F775 HydrophobicContact CG1-CE2 3.72Å; V492-F775 HydrophobicContact CG2-CD2 4.09Å; V492-F775 HydrophobicContact CG2-CE1 4.23Å; V492-F775 HydrophobicContact CG2-CE2 3.57Å; V492-F775 HydrophobicContact CG2-CZ 3.66Å; Y771-F775 HydrophobicContact CD1-CB 4.18Å; Y771-F775 HydrophobicContact CD1-CD1 4.45Å; Y771-F775 AromaticContact CD1-CD2 3.61Å; Y771-F775 HydrophobicContact CD1-CD2 3.61Å; Y771-F775 HydrophobicContact CD1-CE2 4.01Å; Y771-F775 AromaticContact CD1-CG 3.85Å; Y771-F775 HydrophobicContact CD1-CG 3.85Å; Y771-F775 HydrophobicContact CE1-CD2 4.17Å; Y771-F775 HydrophobicContact CE1-CE2 4.32Å; Y771-F775 HydrophobicContact CG-CD1 4.21Å; Y771-F775 HydrophobicContact CG-CD2 4.1Å; Y771-F775 HydrophobicContact CG-CE1 4.39Å; Y771-F775 HydrophobicContact CG-CE2 4.27Å; Y771-F775 HydrophobicContact CG-CG 4.07Å; Y771-F775 HydrophobicContact CG-CZ 4.41Å; R772-F775 WeakPolarHBondContact O-CB 3.47Å; R772-F775 WeakPolarHBondContact O-CD1 3.36Å; R772-F775 PolarHBondContact O-N 3.44Å; F775-D780 HydrophobicContact CB-CB 4.18Å; F775-I814 HydrophobicContact CE1-CB 4.49Å; F775-I814 HydrophobicContact CE1-CD1 4.11Å; F775-I814 HydrophobicContact CE1-CG2 4.43Å; F775-L825 HydrophobicContact CE2-CD1 3.92Å; F775-L825 HydrophobicContact CZ-CD1 3.94Å
776	R	95.3	Very high	96	Very high	59 Å²	59	40.1 Å²	40.1	22%	0.223	19%	0.191	C	C	.	.			trans	-91.3	-31.1	-170.1	-46.7	178	-55.3	154.8	14.4	112.5	E480 M483 D484 A487 V492 L493 D780	E480-R776 IonicContact OE2-CZ 3.38Å; E480-R776 VanDerWaalsContact OE2-CZ 3.26Å; E480-R776 IonicContact OE2-NH1 3.25Å; E480-R776 PolarHBondContact OE2-NH1 3.36Å; E480-R776 IonicContact OE2-NH2 2.99Å; E480-R776 PolarHBondContact OE2-NH2 3.39Å; M483-R776 HydrophobicContact CB-CB 3.96Å; M483-R776 HydrophobicContact CB-CG 4.45Å; M483-R776 HydrophobicContact CG-CB 4.28Å; M483-R776 HydrophobicContact SD-CB 4.35Å; D484-R776 VanDerWaalsContact CG-NH1 3.31Å; D484-R776 WeakPolarHBondContact OD1-CD 3.33Å; D484-R776 IonicContact OD1-CZ 3.89Å; D484-R776 IonicContact OD1-NE 3.93Å; D484-R776 IonicContact OD1-NH1 2.82Å; D484-R776 PolarHBondContact OD1-NH1 2.96Å; D484-R776 IonicContact OD2-NH1 3.48Å; D484-R776 PolarHBondContact OD2-NH1 2.72Å; A487-R776 HydrophobicContact CB-CB 4.37Å; A487-R776 HydrophobicContact CB-CG 3.67Å; V492-R776 WeakPolarHBondContact CA-O 3.49Å; L493-R776 PolarHBondContact N-O 3.3Å; R776-D780 WeakPolarHBondContact CA-OD2 3.36Å; R776-D780 VanDerWaalsContact CB-OD2 3.31Å; R776-D780 WeakPolarHBondContact CB-OD2 3.42Å; R776-D780 PolarHBondContact N-OD2 2.75Å; R776-D780 IonicContact NE-OD2 2.71Å
777	H	94.4	Very high	95.9	Very high	43 Å²	43	40.7 Å²	40.7	20%	0.199	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-148.8	157.3	-174.5	175.9	-103.4	0	0	0	112.2	M483 K779 D780	M483-H777 HydrophobicContact SD-CB 4.26Å; H777-K779 PolarHBondContact ND1-N 2.82Å; H777-K779 PolarHBondContact O-N 2.88Å; H777-D780 PolarHBondContact N-OD2 2.77Å; H777-D780 VanDerWaalsContact O-CB 3.31Å; H777-D780 WeakPolarHBondContact O-CB 3.5Å; H777-D780 VanDerWaalsContact O-CG 3.3Å; H777-D780 PolarHBondContact O-N 2.67Å
778	C	93.3	Very high	95.4	Very high	16 Å²	16	43.8 Å²	43.8	11%	0.108	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-5.8	-174.2	67.4	0	0	0	0	115.8	Y771 Y818 L825	Y771-C778 WeakPolarHBondContact CE1-O 3.22Å; Y771-C778 PolarHBondContact OH-O 3.37Å; C778-Y818 HydrophobicContact CB-CD2 4.25Å; C778-Y818 HydrophobicContact CB-CE2 4.3Å; C778-L825 HydrophobicContact CB-CG 4.39Å
779	K	92.4	Very high	94.4	Very high	135 Å²	135	48.2 Å²	48.2	59%	0.587	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.1	0.2	175.1	-62.3	177.4	-169.9	164.4	0	113.6	H777 Y781	H777-K779 PolarHBondContact ND1-N 2.82Å; H777-K779 PolarHBondContact O-N 2.88Å; K779-Y781 PolarHBondContact O-N 2.98Å; K779-Y781 VanDerWaalsContact O-N 3.08Å
780	D	94.6	Very high	93	Very high	56 Å²	56	55.5 Å²	55.5	30%	0.299	27%	0.265	S	S	.	.			trans	-84.3	31	-178.1	-57.2	0.3	0	0	0	111.7	F775 R776 H777	F775-D780 HydrophobicContact CB-CB 4.18Å; R776-D780 WeakPolarHBondContact CA-OD2 3.36Å; R776-D780 VanDerWaalsContact CB-OD2 3.31Å; R776-D780 WeakPolarHBondContact CB-OD2 3.42Å; R776-D780 PolarHBondContact N-OD2 2.75Å; R776-D780 IonicContact NE-OD2 2.71Å; H777-D780 PolarHBondContact N-OD2 2.77Å; H777-D780 VanDerWaalsContact O-CB 3.31Å; H777-D780 WeakPolarHBondContact O-CB 3.5Å; H777-D780 VanDerWaalsContact O-CG 3.3Å; H777-D780 PolarHBondContact O-N 2.67Å
781	Y	95.5	Very high	91.1	Very high	53 Å²	53	61.8 Å²	61.8	21%	0.208	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	141.2	177.1	54.1	-105.5	0	0	0	110.3	L770 Y771 K779 Y784	L770-Y781 CarbonylContact O-C 3.46Å; L770-Y781 VanDerWaalsContact O-CA 3.24Å; L770-Y781 WeakPolarHBondContact O-CA 3.06Å; L770-Y781 WeakPolarHBondContact O-CB 3.24Å; Y771-Y781 HydrophobicContact CE1-CD1 4.38Å; K779-Y781 PolarHBondContact O-N 2.98Å; K779-Y781 VanDerWaalsContact O-N 3.08Å; Y781-Y784 AromaticContact CD2-CD1 3.99Å; Y781-Y784 HydrophobicContact CD2-CD1 3.99Å; Y781-Y784 HydrophobicContact CD2-CG 4.4Å; Y781-Y784 AromaticContact CE2-CD1 3.45Å; Y781-Y784 HydrophobicContact CE2-CD1 3.45Å; Y781-Y784 VanDerWaalsContact CE2-CD1 3.45Å; Y781-Y784 HydrophobicContact CE2-CE1 4.16Å; Y781-Y784 HydrophobicContact CE2-CG 4.1Å; Y781-Y784 AromaticContact CZ-CD1 3.95Å
782	V	96.2	Very high	89.2	Confident	65 Å²	65	66.2 Å²	66.2	39%	0.394	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-30.8	170.4	-62.7	0	0	0	0	111.4	L770 R772 P807 F813	L770-V782 HydrophobicContact CB-CG2 4.29Å; L770-V782 HydrophobicContact CD2-CG2 3.93Å; L770-V782 HydrophobicContact CG-CG2 3.87Å; L770-V782 WeakPolarHBondContact O-CG2 3.39Å; L770-V782 PolarHBondContact O-N 3.26Å; R772-V782 HydrophobicContact CG-CG1 4.11Å; V782-P807 HydrophobicContact CG2-CG 4.3Å; V782-F813 HydrophobicContact CG2-CD1 4.21Å; V782-F813 HydrophobicContact CG2-CE1 3.9Å
783	A	96.5	Very high	87.2	Confident	6 Å²	6	69.5 Å²	69.5	5%	0.05	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	160	178.8	0	0	0	0	0	109.5	L770 F801 S805	L770-A783 HydrophobicContact CB-CB 4.21Å; L770-A783 HydrophobicContact CD2-CB 4.25Å; L770-A783 PolarHBondContact N-O 3.48Å; A783-F801 HydrophobicContact CB-CD1 3.77Å; A783-F801 HydrophobicContact CB-CE1 3.84Å; A783-S805 VanDerWaalsContact CB-O 3.26Å; A783-S805 WeakPolarHBondContact CB-O 3.24Å
784	Y	97.1	Very high	85.8	Confident	59 Å²	59	68.9 Å²	68.9	23%	0.231	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	158.5	173	79.4	-77	0	0	0	111.6	W767 I768 Y781 W786 P871	W767-Y784 HydrophobicContact CB-CD2 4.06Å; W767-Y784 HydrophobicContact CG-CD2 4.25Å; I768-Y784 CarbonylContact O-C 3.57Å; I768-Y784 VanDerWaalsContact O-CA 3.29Å; I768-Y784 WeakPolarHBondContact O-CA 3.36Å; Y781-Y784 AromaticContact CD2-CD1 3.99Å; Y781-Y784 HydrophobicContact CD2-CD1 3.99Å; Y781-Y784 HydrophobicContact CD2-CG 4.4Å; Y781-Y784 AromaticContact CE2-CD1 3.45Å; Y781-Y784 HydrophobicContact CE2-CD1 3.45Å; Y781-Y784 VanDerWaalsContact CE2-CD1 3.45Å; Y781-Y784 HydrophobicContact CE2-CE1 4.16Å; Y781-Y784 HydrophobicContact CE2-CG 4.1Å; Y781-Y784 AromaticContact CZ-CD1 3.95Å; Y784-W786 HydrophobicContact CE2-CD2 4.26Å; Y784-W786 AromaticContact CE2-CE2 3.83Å; Y784-W786 HydrophobicContact CE2-CZ2 4.01Å; Y784-W786 AromaticContact CE2-NE1 3.98Å; Y784-P871 VanDerWaalsContact OH-CD 3.31Å; Y784-P871 WeakPolarHBondContact OH-CD 3.26Å; Y784-P871 WeakPolarHBondContact OH-CG 3.5Å
785	V	96.9	Very high	85.1	Confident	22 Å²	22	72.4 Å²	72.4	13%	0.133	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141.9	172.6	-66.3	0	0	0	0	110.3	W767 I768 V799 F801	W767-V785 CarbonylContact C-O 3.57Å; W767-V785 WeakPolarHBondContact CA-O 3.3Å; W767-V785 WeakPolarHBondContact CB-O 3.41Å; I768-V785 HydrophobicContact CB-CG2 4.13Å; I768-V785 PolarHBondContact N-O 3.43Å; I768-V785 PolarHBondContact O-N 2.94Å; V785-V799 HydrophobicContact CG2-CB 4Å; V785-V799 HydrophobicContact CG2-CG2 3.65Å; V785-F801 HydrophobicContact CG1-CB 4.47Å; V785-F801 HydrophobicContact CG1-CD1 3.91Å; V785-F801 HydrophobicContact CG1-CD2 4.22Å; V785-F801 HydrophobicContact CG1-CE1 4.16Å; V785-F801 HydrophobicContact CG1-CE2 4.42Å; V785-F801 HydrophobicContact CG1-CG 3.94Å; V785-F801 HydrophobicContact CG1-CZ 4.4Å; V785-F801 HydrophobicContact CG2-CD2 4.34Å; V785-F801 HydrophobicContact CG2-CE1 4.43Å; V785-F801 HydrophobicContact CG2-CE2 3.86Å; V785-F801 HydrophobicContact CG2-CZ 3.92Å
786	W	96.3	Very high	84.7	Confident	86 Å²	86	74 Å²	74	33%	0.326	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	141.6	175	-61.3	104.8	0	0	0	110.9	W765 W767 Y784	W765-W786 HydrophobicContact CB-CZ3 4.47Å; W765-W786 AromaticContact CE3-CH2 3.78Å; W765-W786 HydrophobicContact CE3-CH2 3.78Å; W765-W786 HydrophobicContact CE3-CZ3 4.01Å; W765-W786 HydrophobicContact CZ3-CH2 4.19Å; W767-W786 HydrophobicContact CB-CE3 4.24Å; W767-W786 HydrophobicContact CE3-CE3 4.4Å; W767-W786 HydrophobicContact CE3-CH2 4.36Å; W767-W786 AromaticContact CE3-CZ3 3.72Å; W767-W786 HydrophobicContact CE3-CZ3 3.72Å; W767-W786 HydrophobicContact CZ3-CZ3 4.36Å; Y784-W786 HydrophobicContact CE2-CD2 4.26Å; Y784-W786 AromaticContact CE2-CE2 3.83Å; Y784-W786 HydrophobicContact CE2-CZ2 4.01Å; Y784-W786 AromaticContact CE2-NE1 3.98Å
787	A	93.9	Very high	84.5	Confident	12 Å²	12	72 Å²	72	10%	0.099	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-70.8	133.1	176	0	0	0	0	0	110.6	D766 H789 Y817	D766-A787 HydrophobicContact CB-CB 4.1Å; D766-A787 PolarHBondContact O-N 2.69Å; A787-H789 PolarHBondContact O-N 2.88Å; A787-Y817 HydrophobicContact CB-CE2 3.62Å
788	K	87.1	Confident	84.4	Confident	99 Å²	99	73.5 Å²	73.5	43%	0.43	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-67.1	130.7	172.4	-75	-178.8	177.4	171.3	0	110.7	Y754 R762 Y797 Q798 V799	Y754-K788 PolarHBondContact OH-N 3.33Å; Y754-K788 PolarHBondContact OH-O 3.45Å; Y754-K788 VanDerWaalsContact OH-O 3.06Å; R762-K788 PolarHBondContact NH2-O 2.81Å; K788-Y797 HydrophobicContact CB-CD1 4.47Å; K788-Q798 WeakPolarHBondContact CD-O 3.43Å; K788-Q798 WeakPolarHBondContact CE-O 3.49Å; K788-Q798 PolarHBondContact NZ-O 3.45Å; K788-V799 HydrophobicContact CD-CG1 4.33Å; K788-V799 HydrophobicContact CG-CG1 3.99Å
789	H	75.8	Confident	84.5	Confident	94 Å²	94	73.2 Å²	73.2	44%	0.435	38%	0.376	S	S	.	.			trans	-106.1	-1	175.1	-157	-57.2	0	0	0	112.8	A787	A787-H789 PolarHBondContact O-N 2.88Å
790	E	69.8	Low	84.7	Confident	153 Å²	153	70.4 Å²	70.4	72%	0.715	37%	0.37	S	S	*	.	S	Bend	trans	-81	125.3	177.6	-64.8	175.3	161.2	0	0	110.4	V792 Y797	E790-V792 PolarHBondContact O-N 3.16Å; E790-Y797 WeakPolarHBondContact O-CE1 3.01Å
791	D	57.6	Low	84.7	Confident	131 Å²	131	68 Å²	68	70%	0.701	36%	0.357	S	S	*	.			trans	-76.2	94.5	-178.8	-66.1	-43.1	0	0	0	111.2	Y797	D791-Y797 PolarHBondContact OD1-OH 3.19Å
792	V	58.3	Low	84.7	Confident	93 Å²	93	68 Å²	68	56%	0.564	37%	0.365	S	S	*	.			trans	-75.6	146.8	158.3	-174.3	0	0	0	0	107.7	E790 G794	E790-V792 PolarHBondContact O-N 3.16Å; V792-G794 PolarHBondContact O-N 3.25Å; V792-G794 VanDerWaalsContact O-O 3.12Å
793	D	53.9	Low	84.5	Confident	177 Å²	177	71.7 Å²	71.7	95%	0.947	38%	0.378	S	S	*	.	S	Bend	trans	-55.5	98.1	-172.4	-67.3	-72.6	0	0	0	114.4
794	G	65.9	Low	84.3	Confident	46 Å²	46	80 Å²	80	47%	0.474	42%	0.416	S	S	.	.	S	Bend	trans	115.8	161.3	176.1	0	0	0	0	0	114.1	V792 T796	V792-G794 PolarHBondContact O-N 3.25Å; V792-G794 VanDerWaalsContact O-O 3.12Å; G794-T796 PolarHBondContact O-N 3.28Å
795	N	79.7	Confident	84	Confident	104 Å²	104	79 Å²	79	56%	0.556	42%	0.417	S	S	*	.	S	Bend	trans	-64.2	8.7	-176.8	-69.1	28.6	0	0	0	115.4	R755 M756	R755-N795 VanDerWaalsContact CA-O 3.28Å; R755-N795 WeakPolarHBondContact CA-O 3.23Å; M756-N795 PolarHBondContact N-O 3.17Å; M756-N795 VanDerWaalsContact N-O 3.13Å; M756-N795 PolarHBondContact O-ND2 3.3Å
796	T	88	Confident	83.9	Confident	45 Å²	45	78.6 Å²	78.6	28%	0.276	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	116.6	-172.6	-54.9	0	0	0	0	111.2	Y754 R755 G794	Y754-T796 WeakPolarHBondContact O-CA 3.39Å; R755-T796 HydrophobicContact CG-CG2 4.11Å; G794-T796 PolarHBondContact O-N 3.28Å
797	Y	91.4	Very high	83.7	Confident	16 Å²	16	75.3 Å²	75.3	6%	0.063	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	160.4	-179.2	-57.1	-90.6	0	0	0	110.4	R753 Y754 M756 R762 K788 E790 D791	R753-Y797 CarbonylContact C-O 3.59Å; R753-Y797 WeakPolarHBondContact CA-O 3.19Å; Y754-Y797 HydrophobicContact CD2-CD2 4.17Å; Y754-Y797 AromaticContact CE2-CD2 3.71Å; Y754-Y797 HydrophobicContact CE2-CD2 3.71Å; Y754-Y797 AromaticContact CE2-CG 3.83Å; Y754-Y797 HydrophobicContact CE2-CG 3.83Å; Y754-Y797 AromaticContact CZ-CG 3.92Å; Y754-Y797 PolarHBondContact N-O 3.23Å; Y754-Y797 PolarHBondContact O-N 2.9Å; Y754-Y797 WeakPolarHBondContact OH-CB 3.33Å; M756-Y797 HydrophobicContact CG-CD2 4.48Å; M756-Y797 HydrophobicContact CG-CE2 3.96Å; R762-Y797 VanDerWaalsContact NH1-CZ 3.29Å; R762-Y797 PolarHBondContact NH1-OH 3.05Å; K788-Y797 HydrophobicContact CB-CD1 4.47Å; E790-Y797 WeakPolarHBondContact O-CE1 3.01Å; D791-Y797 PolarHBondContact OD1-OH 3.19Å
798	Q	93.2	Very high	83.4	Confident	76 Å²	76	81.5 Å²	81.5	36%	0.355	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	130.8	179.9	-177.1	175.1	-39.9	0	0	111.5	V751 V752 R753 K788	V751-Q798 HydrophobicContact CG1-CG 3.62Å; V751-Q798 VanDerWaalsContact CG1-NE2 3.32Å; V752-Q798 WeakPolarHBondContact O-CA 3.1Å; R753-Q798 HydrophobicContact CG-CB 4.36Å; R753-Q798 HydrophobicContact CG-CG 4.09Å; K788-Q798 WeakPolarHBondContact CD-O 3.43Å; K788-Q798 WeakPolarHBondContact CE-O 3.49Å; K788-Q798 PolarHBondContact NZ-O 3.45Å
799	V	94.6	Very high	83.5	Confident	9 Å²	9	77.7 Å²	77.7	6%	0.055	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	162.9	174.4	-69.6	0	0	0	0	110.2	V751 V752 Y754 I768 V785 K788	V751-V799 WeakPolarHBondContact CA-O 3.14Å; V752-V799 HydrophobicContact CB-CG2 4.07Å; V752-V799 PolarHBondContact N-O 2.89Å; V752-V799 PolarHBondContact O-N 2.76Å; Y754-V799 HydrophobicContact CE1-CG1 4.15Å; Y754-V799 HydrophobicContact CE1-CG2 4.24Å; I768-V799 HydrophobicContact CD1-CG2 3.93Å; V785-V799 HydrophobicContact CG2-CB 4Å; V785-V799 HydrophobicContact CG2-CG2 3.65Å; K788-V799 HydrophobicContact CD-CG1 4.33Å; K788-V799 HydrophobicContact CG-CG1 3.99Å
800	T	95.6	Very high	84.4	Confident	76 Å²	76	79 Å²	79	47%	0.466	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	135.7	179.1	-48	0	0	0	0	108.3	A750 V751	A750-T800 WeakPolarHBondContact O-CA 3.04Å; A750-T800 WeakPolarHBondContact O-CG2 3.25Å; V751-T800 HydrophobicContact CG2-CG2 3.99Å
801	F	96.4	Very high	85.6	Confident	6 Å²	6	72.1 Å²	72.1	3%	0.026	39%	0.394	C	S	.	.			trans	-77.6	145.7	172.7	-73	-106.8	0	0	0	110	W744 A750 V752 I768 L770 A783 V785 L806 L815	W744-F801 AromaticContact CH2-CD2 3.99Å; W744-F801 HydrophobicContact CH2-CD2 3.99Å; W744-F801 HydrophobicContact CH2-CE2 4.3Å; W744-F801 HydrophobicContact CZ3-CD2 4.5Å; A750-F801 HydrophobicContact CB-CB 4.16Å; A750-F801 PolarHBondContact O-N 2.96Å; V752-F801 HydrophobicContact CG2-CD2 4.26Å; V752-F801 HydrophobicContact CG2-CE2 3.79Å; I768-F801 HydrophobicContact CG2-CZ 4.4Å; L770-F801 HydrophobicContact CB-CE1 3.74Å; L770-F801 HydrophobicContact CB-CZ 3.93Å; A783-F801 HydrophobicContact CB-CD1 3.77Å; A783-F801 HydrophobicContact CB-CE1 3.84Å; V785-F801 HydrophobicContact CG1-CB 4.47Å; V785-F801 HydrophobicContact CG1-CD1 3.91Å; V785-F801 HydrophobicContact CG1-CD2 4.22Å; V785-F801 HydrophobicContact CG1-CE1 4.16Å; V785-F801 HydrophobicContact CG1-CE2 4.42Å; V785-F801 HydrophobicContact CG1-CG 3.94Å; V785-F801 HydrophobicContact CG1-CZ 4.4Å; V785-F801 HydrophobicContact CG2-CD2 4.34Å; V785-F801 HydrophobicContact CG2-CE1 4.43Å; V785-F801 HydrophobicContact CG2-CE2 3.86Å; V785-F801 HydrophobicContact CG2-CZ 3.92Å; F801-L806 HydrophobicContact CB-CD2 3.77Å; F801-L806 HydrophobicContact CB-CG 4.36Å; F801-L806 HydrophobicContact CG-CD2 4.35Å; F801-L815 HydrophobicContact CE2-CD2 3.76Å; F801-L815 HydrophobicContact CZ-CD2 3.73Å
802	S	94	Very high	87.5	Confident	52 Å²	52	69.4 Å²	69.4	36%	0.364	38%	0.379	S	S	.	.			trans	-78.9	143.5	173.8	58.4	0	0	0	0	110.5	E804 S805 L806	S802-E804 VanDerWaalsContact C-N 3.25Å; S802-E804 PolarHBondContact O-N 2.88Å; S802-E804 VanDerWaalsContact OG-CG 3.26Å; S802-E804 WeakPolarHBondContact OG-CG 3.44Å; S802-E804 PolarHBondContact OG-OE1 3.23Å; S802-S805 PolarHBondContact N-OG 2.9Å; S802-S805 WeakPolarHBondContact O-CA 3.44Å; S802-S805 WeakPolarHBondContact O-CB 3.45Å; S802-S805 PolarHBondContact O-N 3.24Å; S802-S805 PolarHBondContact O-OG 3.01Å; S802-L806 PolarHBondContact O-N 2.71Å
803	E	92.8	Very high	89.4	Confident	143 Å²	143	65 Å²	65	67%	0.668	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-51.6	-43.4	-179.9	179.5	-178.8	-175.5	0	0	112.7	P747 S805 L806	P747-E803 HydrophobicContact CB-CB 3.95Å; P747-E803 HydrophobicContact CB-CG 3.87Å; P747-E803 HydrophobicContact CG-CB 4.41Å; P747-E803 HydrophobicContact CG-CG 3.76Å; E803-S805 PolarHBondContact O-N 2.88Å; E803-S805 VanDerWaalsContact O-N 3.12Å; E803-L806 PolarHBondContact O-N 2.68Å
804	E	91.8	Very high	91.4	Very high	181 Å²	181	56.7 Å²	56.7	85%	0.846	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-58.2	-20.4	175.4	62.7	-177.7	171.5	0	0	114.7	S802	S802-E804 VanDerWaalsContact C-N 3.25Å; S802-E804 PolarHBondContact O-N 2.88Å; S802-E804 VanDerWaalsContact OG-CG 3.26Å; S802-E804 WeakPolarHBondContact OG-CG 3.44Å; S802-E804 PolarHBondContact OG-OE1 3.23Å
805	S	92	Very high	93	Very high	37 Å²	37	54.5 Å²	54.5	26%	0.259	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-94.7	-14.4	178.3	75.1	0	0	0	0	113.4	A783 S802 E803	A783-S805 VanDerWaalsContact CB-O 3.26Å; A783-S805 WeakPolarHBondContact CB-O 3.24Å; S802-S805 PolarHBondContact N-OG 2.9Å; S802-S805 WeakPolarHBondContact O-CA 3.44Å; S802-S805 WeakPolarHBondContact O-CB 3.45Å; S802-S805 PolarHBondContact O-N 3.24Å; S802-S805 PolarHBondContact O-OG 3.01Å; E803-S805 PolarHBondContact O-N 2.88Å; E803-S805 VanDerWaalsContact O-N 3.12Å
806	L	93.5	Very high	93.9	Very high	15 Å²	15	49.5 Å²	49.5	8%	0.079	26%	0.259	C	S	.	.	S	Bend	trans	-78.8	144.2	-171.5	-69.1	172.1	0	0	0	112.5	W744 P747 A750 L770 F801 S802 E803 K808 L836	W744-L806 HydrophobicContact CE3-CD2 4.17Å; W744-L806 HydrophobicContact CZ3-CD2 3.82Å; P747-L806 HydrophobicContact CB-CD1 4.11Å; A750-L806 HydrophobicContact CB-CD1 3.59Å; A750-L806 HydrophobicContact CB-CD2 3.94Å; A750-L806 HydrophobicContact CB-CG 4.36Å; L770-L806 HydrophobicContact CD2-CD2 4.38Å; F801-L806 HydrophobicContact CB-CD2 3.77Å; F801-L806 HydrophobicContact CB-CG 4.36Å; F801-L806 HydrophobicContact CG-CD2 4.35Å; S802-L806 PolarHBondContact O-N 2.71Å; E803-L806 PolarHBondContact O-N 2.68Å; L806-K808 PolarHBondContact O-N 3.22Å; L806-L836 HydrophobicContact CB-CD1 3.61Å; L806-L836 HydrophobicContact CD1-CD1 3.79Å; L806-L836 HydrophobicContact CG-CD1 4.21Å
807	P	91.9	Very high	94.3	Very high	17 Å²	17	47.4 Å²	47.4	11%	0.11	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-68.2	125.6	174.2	29.1	-33.5	0	0	0	110.2	L770 V782 F813 I834	L770-P807 HydrophobicContact CD2-CG 4.24Å; V782-P807 HydrophobicContact CG2-CG 4.3Å; P807-F813 HydrophobicContact CB-CE1 3.98Å; P807-F813 HydrophobicContact CB-CZ 3.67Å; P807-F813 HydrophobicContact CG-CD1 4.38Å; P807-F813 HydrophobicContact CG-CE1 3.55Å; P807-F813 HydrophobicContact CG-CE2 4.08Å; P807-F813 HydrophobicContact CG-CZ 3.37Å; P807-I834 HydrophobicContact CG-CD1 4.14Å; P807-I834 HydrophobicContact CG-CG2 4.3Å
808	K	88.6	Confident	94.6	Very high	141 Å²	141	47.8 Å²	47.8	61%	0.613	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-75.4	150.4	172.4	-64.5	-179.2	179.2	179	0	110.9	L806	L806-K808 PolarHBondContact O-N 3.22Å
809	G	89.6	Confident	94.7	Very high	19 Å²	19	44.1 Å²	44.1	20%	0.196	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.6	-162.9	-178.8	0	0	0	0	0	113.4	L836	G809-L836 VanDerWaalsContact CA-O 3.31Å; G809-L836 WeakPolarHBondContact CA-O 3.43Å; G809-L836 PolarHBondContact N-O 3.17Å; G809-L836 PolarHBondContact O-N 3.26Å; G809-L836 VanDerWaalsContact O-N 3.07Å
810	H	93.5	Very high	94.6	Very high	122 Å²	122	47.7 Å²	47.7	57%	0.565	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	148.9	-178.9	180	-86.3	0	0	0	112.4	I834 S835	H810-I834 CarbonylContact C-O 3.44Å; H810-I834 VanDerWaalsContact CA-O 3.24Å; H810-I834 WeakPolarHBondContact CA-O 3.21Å; H810-S835 PolarHBondContact CD2-OG 2.91Å
811	G	95.4	Very high	94.4	Very high	8 Å²	8	47.9 Å²	47.9	8%	0.082	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.5	170	161.2	0	0	0	0	0	113.8	F813 I834	G811-F813 WeakPolarHBondContact O-CD2 3.38Å; G811-F813 VanDerWaalsContact O-CE2 3.29Å; G811-F813 WeakPolarHBondContact O-CE2 3.44Å; G811-I834 PolarHBondContact N-O 3.49Å; G811-I834 PolarHBondContact O-N 2.92Å
812	D	97	Very high	94	Very high	74 Å²	74	49.2 Å²	49.2	40%	0.396	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	134.6	175.4	-43.7	-70.7	0	0	0	110.8	V773 Q833	V773-D812 HydrophobicContact CB-CB 4.43Å; V773-D812 HydrophobicContact CG2-CB 3.75Å; V773-D812 PolarHBondContact N-O 2.95Å; V773-D812 VanDerWaalsContact N-O 3.12Å; D812-Q833 WeakPolarHBondContact OD1-CG 3.24Å; D812-Q833 PolarHBondContact OD1-NE2 2.91Å
813	F	97.6	Very high	93.9	Very high	2 Å²	2	50 Å²	50	1%	0.009	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	159.2	-173.8	-65.4	-96	0	0	0	112.1	L770 Y771 R772 V782 P807 G811 P831 F832 I834	L770-F813 HydrophobicContact CD1-CB 3.77Å; L770-F813 HydrophobicContact CD1-CD1 4.21Å; L770-F813 HydrophobicContact CD1-CG 4.25Å; L770-F813 HydrophobicContact CG-CD1 4.12Å; Y771-F813 CarbonylContact O-C 3.48Å; Y771-F813 WeakPolarHBondContact O-CA 3.44Å; Y771-F813 WeakPolarHBondContact O-CB 3.35Å; Y771-F813 WeakPolarHBondContact O-CD1 3.35Å; R772-F813 HydrophobicContact CB-CD1 4.49Å; R772-F813 HydrophobicContact CB-CE1 4.45Å; R772-F813 HydrophobicContact CG-CD1 3.82Å; R772-F813 HydrophobicContact CG-CE1 3.34Å; R772-F813 HydrophobicContact CG-CZ 4Å; V782-F813 HydrophobicContact CG2-CD1 4.21Å; V782-F813 HydrophobicContact CG2-CE1 3.9Å; P807-F813 HydrophobicContact CB-CE1 3.98Å; P807-F813 HydrophobicContact CB-CZ 3.67Å; P807-F813 HydrophobicContact CG-CD1 4.38Å; P807-F813 HydrophobicContact CG-CE1 3.55Å; P807-F813 HydrophobicContact CG-CE2 4.08Å; P807-F813 HydrophobicContact CG-CZ 3.37Å; G811-F813 WeakPolarHBondContact O-CD2 3.38Å; G811-F813 VanDerWaalsContact O-CE2 3.29Å; G811-F813 WeakPolarHBondContact O-CE2 3.44Å; F813-P831 CarbonylContact O-C 3.54Å; F813-P831 VanDerWaalsContact O-CA 3.29Å; F813-P831 WeakPolarHBondContact O-CA 3.15Å; F813-F832 HydrophobicContact CB-CE1 4Å; F813-F832 HydrophobicContact CB-CZ 4.15Å; F813-F832 PolarHBondContact N-O 3.3Å; F813-F832 WeakPolarHBondContact O-CD1 3.32Å; F813-F832 PolarHBondContact O-N 3.16Å; F813-I834 HydrophobicContact CB-CD1 4.12Å; F813-I834 HydrophobicContact CB-CG1 4.47Å; F813-I834 HydrophobicContact CD1-CD1 4.32Å; F813-I834 HydrophobicContact CD2-CB 3.71Å; F813-I834 HydrophobicContact CD2-CD1 3.64Å; F813-I834 HydrophobicContact CD2-CG1 3.61Å; F813-I834 HydrophobicContact CE2-CB 3.71Å; F813-I834 HydrophobicContact CE2-CD1 4.11Å; F813-I834 HydrophobicContact CE2-CG1 4.11Å; F813-I834 HydrophobicContact CG-CD1 3.77Å; F813-I834 HydrophobicContact CG-CG1 4.19Å
814	I	97.9	Very high	94	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.1	176.1	-66.1	164.3	0	0	0	107.8	Y510 Y771 V773 F775 V828 P831	Y510-I814 HydrophobicContact CD1-CD1 4.03Å; Y510-I814 HydrophobicContact CD2-CD1 3.92Å; Y510-I814 HydrophobicContact CD2-CG2 4.44Å; Y510-I814 HydrophobicContact CE1-CD1 3.97Å; Y510-I814 HydrophobicContact CE2-CD1 3.89Å; Y510-I814 HydrophobicContact CG-CD1 4.05Å; Y771-I814 PolarHBondContact N-O 2.89Å; Y771-I814 PolarHBondContact O-N 2.88Å; V773-I814 HydrophobicContact CG2-CD1 4.06Å; V773-I814 HydrophobicContact CG2-CG1 4.09Å; F775-I814 HydrophobicContact CE1-CB 4.49Å; F775-I814 HydrophobicContact CE1-CD1 4.11Å; F775-I814 HydrophobicContact CE1-CG2 4.43Å; I814-V828 HydrophobicContact CG2-CB 4.41Å; I814-P831 HydrophobicContact CD1-CG 4.43Å; I814-P831 HydrophobicContact CG1-CG 4.25Å
815	L	98.3	Very high	94.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	141.2	168.6	-74.3	156	0	0	0	109.9	L738 V740 W744 V752 I768 G769 L770 F801 V828 T829 F832	L738-L815 HydrophobicContact CD1-CB 4.36Å; V740-L815 HydrophobicContact CB-CD1 3.8Å; V740-L815 HydrophobicContact CG1-CD1 4.22Å; V740-L815 HydrophobicContact CG2-CD1 3.68Å; W744-L815 HydrophobicContact CH2-CD1 4.49Å; W744-L815 HydrophobicContact CZ2-CD1 4.38Å; V752-L815 HydrophobicContact CB-CD1 4.39Å; V752-L815 HydrophobicContact CG1-CD1 4.05Å; V752-L815 HydrophobicContact CG2-CD1 3.41Å; V752-L815 VanDerWaalsContact CG2-CD1 3.41Å; V752-L815 HydrophobicContact CG2-CD2 3.89Å; V752-L815 HydrophobicContact CG2-CG 4.29Å; I768-L815 HydrophobicContact CG2-CB 4.47Å; I768-L815 HydrophobicContact CG2-CD2 3.83Å; G769-L815 WeakPolarHBondContact O-CA 3.5Å; L770-L815 HydrophobicContact CB-CD2 4.19Å; L770-L815 HydrophobicContact CD1-CD2 3.92Å; L770-L815 HydrophobicContact CD1-CG 4.16Å; F801-L815 HydrophobicContact CE2-CD2 3.76Å; F801-L815 HydrophobicContact CZ-CD2 3.73Å; L815-V828 CarbonylContact O-C 3.58Å; L815-V828 VanDerWaalsContact O-CA 3.25Å; L815-V828 WeakPolarHBondContact O-CA 3.21Å; L815-T829 HydrophobicContact CB-CG2 3.84Å; L815-T829 HydrophobicContact CD1-CG2 4.36Å; L815-T829 PolarHBondContact N-OG1 3.28Å; L815-T829 PolarHBondContact O-N 2.85Å; L815-F832 HydrophobicContact CD1-CE1 3.77Å; L815-F832 HydrophobicContact CD1-CZ 3.84Å; L815-F832 HydrophobicContact CG-CE1 3.74Å; L815-F832 HydrophobicContact CG-CZ 4Å
816	G	98	Very high	94.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	125.3	178.8	0	0	0	0	0	112.6	I768 G769 Y818 G827	I768-G816 CarbonylContact C-O 3.57Å; I768-G816 WeakPolarHBondContact CA-O 3.33Å; G769-G816 PolarHBondContact N-O 3.15Å; G769-G816 PolarHBondContact O-N 3.11Å; G816-Y818 PolarHBondContact O-N 3.36Å; G816-G827 CarbonylContact C-O 3.58Å; G816-G827 WeakPolarHBondContact CA-O 3.41Å
817	Y	97.8	Very high	94.5	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	105.4	172.1	-170.6	-73.2	0	0	0	108.8	V736 Y754 M756 F760 D766 W767 I768 A787 L825 I826 G827	V736-Y817 HydrophobicContact CB-CD1 4.47Å; V736-Y817 HydrophobicContact CB-CD2 4.41Å; V736-Y817 HydrophobicContact CB-CG 4.15Å; V736-Y817 HydrophobicContact CG1-CD2 3.82Å; V736-Y817 HydrophobicContact CG1-CE2 4.36Å; V736-Y817 HydrophobicContact CG1-CG 4.03Å; V736-Y817 HydrophobicContact CG2-CD1 3.79Å; V736-Y817 HydrophobicContact CG2-CD2 4.23Å; V736-Y817 HydrophobicContact CG2-CE1 3.99Å; V736-Y817 HydrophobicContact CG2-CE2 4.42Å; V736-Y817 HydrophobicContact CG2-CG 3.92Å; Y754-Y817 HydrophobicContact CD2-CD2 4.32Å; Y754-Y817 HydrophobicContact CD2-CE2 4.07Å; Y754-Y817 HydrophobicContact CE2-CD2 4.5Å; Y754-Y817 AromaticContact CE2-CE2 3.85Å; Y754-Y817 HydrophobicContact CE2-CE2 3.85Å; M756-Y817 HydrophobicContact CE-CE2 4.05Å; M756-Y817 WeakPolarHBondContact CE-OH 3.47Å; F760-Y817 HydrophobicContact CZ-CE1 4.29Å; D766-Y817 HydrophobicContact CB-CE1 3.84Å; D766-Y817 WeakPolarHBondContact CB-OH 3.43Å; D766-Y817 PolarHBondContact OD2-OH 3.34Å; W767-Y817 CarbonylContact O-C 3.59Å; I768-Y817 HydrophobicContact CD1-CD2 4Å; I768-Y817 HydrophobicContact CG1-CD2 3.61Å; I768-Y817 HydrophobicContact CG1-CE2 4.37Å; I768-Y817 HydrophobicContact CG1-CG 4.29Å; A787-Y817 HydrophobicContact CB-CE2 3.62Å; Y817-L825 CarbonylContact O-C 3.53Å; Y817-L825 VanDerWaalsContact O-CA 3.31Å; Y817-L825 WeakPolarHBondContact O-CA 3.32Å; Y817-I826 HydrophobicContact CD1-CD1 3.92Å; Y817-I826 HydrophobicContact CD1-CG1 3.65Å; Y817-I826 HydrophobicContact CE1-CD1 3.97Å; Y817-I826 HydrophobicContact CE1-CG1 4.23Å; Y817-I826 PolarHBondContact O-N 3.42Å; Y817-G827 PolarHBondContact N-O 3.44Å
818	Y	97.3	Very high	94.8	Very high	23 Å²	23	32.8 Å²	32.8	9%	0.09	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	124.6	171.3	-174.2	-92.3	0	0	0	109.9	D766 W767 C778 G816 S823 L825	D766-Y818 WeakPolarHBondContact CA-O 3.28Å; W767-Y818 AromaticContact CD2-CD1 3.95Å; W767-Y818 HydrophobicContact CD2-CD1 3.95Å; W767-Y818 HydrophobicContact CD2-CG 4.36Å; W767-Y818 AromaticContact CE2-CD1 3.54Å; W767-Y818 AromaticContact CE2-CG 3.69Å; W767-Y818 HydrophobicContact CE3-CD1 4.08Å; W767-Y818 AromaticContact CH2-CD1 3.47Å; W767-Y818 HydrophobicContact CH2-CD1 3.47Å; W767-Y818 VanDerWaalsContact CH2-CD1 3.47Å; W767-Y818 AromaticContact CH2-CE1 3.43Å; W767-Y818 HydrophobicContact CH2-CE1 3.43Å; W767-Y818 VanDerWaalsContact CH2-CE1 3.43Å; W767-Y818 HydrophobicContact CH2-CG 4.29Å; W767-Y818 AromaticContact CZ2-CD1 3.3Å; W767-Y818 HydrophobicContact CZ2-CD1 3.3Å; W767-Y818 HydrophobicContact CZ2-CD2 4.27Å; W767-Y818 AromaticContact CZ2-CE1 3.62Å; W767-Y818 HydrophobicContact CZ2-CE1 3.62Å; W767-Y818 AromaticContact CZ2-CG 3.66Å; W767-Y818 HydrophobicContact CZ2-CG 3.66Å; W767-Y818 AromaticContact CZ3-CD1 3.87Å; W767-Y818 HydrophobicContact CZ3-CD1 3.87Å; W767-Y818 HydrophobicContact CZ3-CE1 4.01Å; W767-Y818 PolarHBondContact N-O 3.29Å; W767-Y818 AromaticContact NE1-CG 3.89Å; W767-Y818 PolarHBondContact O-N 3.05Å; C778-Y818 HydrophobicContact CB-CD2 4.25Å; C778-Y818 HydrophobicContact CB-CE2 4.3Å; G816-Y818 PolarHBondContact O-N 3.36Å; Y818-S823 WeakPolarHBondContact OH-CA 3.16Å; Y818-L825 HydrophobicContact CD2-CD2 4.22Å
819	S	95.2	Very high	95.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.6	165.9	-179.7	0	0	0	0	111.3	D766 N821 S823 I824	D766-S819 WeakPolarHBondContact OD1-CA 3.44Å; D766-S819 PolarHBondContact OD1-OG 2.86Å; S819-N821 VanDerWaalsContact C-N 3.34Å; S819-N821 PolarHBondContact OG-N 2.7Å; S819-S823 VanDerWaalsContact O-CA 3.3Å; S819-S823 WeakPolarHBondContact O-CA 3.48Å; S819-S823 PolarHBondContact O-N 2.92Å; S819-I824 PolarHBondContact N-O 2.63Å
820	H	92.5	Very high	95.6	Very high	84 Å²	84	29.8 Å²	29.8	39%	0.389	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-45.6	173.1	-174.6	93.6	0	0	0	111.4	W765 D766 H822 S823	W765-H820 HydrophobicContact CB-CB 3.81Å; D766-H820 PolarHBondContact OD1-N 3.46Å; H820-H822 PolarHBondContact O-N 3.31Å; H820-S823 PolarHBondContact O-N 3.15Å; H820-S823 PolarHBondContact O-OG 3.08Å
821	N	90.4	Very high	95.7	Very high	80 Å²	80	26.9 Å²	26.9	43%	0.428	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-32.4	-172	-64.9	-13.7	0	0	0	112.7	A761 R762 S819	A761-N821 PolarHBondContact O-ND2 3.01Å; R762-N821 PolarHBondContact O-ND2 2.78Å; S819-N821 VanDerWaalsContact C-N 3.34Å; S819-N821 PolarHBondContact OG-N 2.7Å
822	H	88.9	Confident	95.8	Very high	33 Å²	33	26.9 Å²	26.9	15%	0.153	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-11.7	172.8	-63.2	-79.7	0	0	0	113.4	D518 H820 I824 I826	D518-H822 IonicContact OD1-CE1 2.85Å; D518-H822 IonicContact OD1-ND1 3.06Å; H820-H822 PolarHBondContact O-N 3.31Å; H822-I824 VanDerWaalsContact C-N 3.26Å; H822-I824 HydrophobicContact CB-CG2 4Å; H822-I824 PolarHBondContact O-N 3.35Å; H822-I826 HydrophobicContact CB-CG2 4.02Å
823	S	91.5	Very high	95.8	Very high	68 Å²	68	27 Å²	27	48%	0.476	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	35.7	-178.4	-69.8	0	0	0	0	115.1	Y818 S819 H820	Y818-S823 WeakPolarHBondContact OH-CA 3.16Å; S819-S823 VanDerWaalsContact O-CA 3.3Å; S819-S823 WeakPolarHBondContact O-CA 3.48Å; S819-S823 PolarHBondContact O-N 2.92Å; H820-S823 PolarHBondContact O-N 3.15Å; H820-S823 PolarHBondContact O-OG 3.08Å
824	I	94.7	Very high	95.8	Very high	6 Å²	6	26.9 Å²	26.9	3%	0.031	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	163.3	-178.2	-164.8	176.2	0	0	0	110.6	V494 L513 L516 V519 S819 H822 I826	V494-I824 HydrophobicContact CG1-CD1 3.61Å; V494-I824 HydrophobicContact CG1-CG1 4.33Å; L513-I824 HydrophobicContact CD2-CD1 4.48Å; L516-I824 HydrophobicContact CB-CD1 3.68Å; L516-I824 HydrophobicContact CD1-CD1 4.44Å; V519-I824 HydrophobicContact CG2-CD1 4.02Å; S819-I824 PolarHBondContact N-O 2.63Å; H822-I824 VanDerWaalsContact C-N 3.26Å; H822-I824 HydrophobicContact CB-CG2 4Å; H822-I824 PolarHBondContact O-N 3.35Å; I824-I826 HydrophobicContact CG2-CG2 3.53Å; I824-I826 PolarHBondContact O-N 3.39Å
825	L	96.8	Very high	95.6	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	112.1	163.8	-62	-178.8	0	0	0	109.9	L513 Y771 F775 C778 Y817 Y818 V828	L513-L825 CarbonylContact C-O 3.58Å; L513-L825 HydrophobicContact CB-CB 4.31Å; L513-L825 HydrophobicContact CD1-CB 4.16Å; L513-L825 HydrophobicContact CD1-CD1 3.91Å; L513-L825 HydrophobicContact CD1-CG 4.45Å; Y771-L825 HydrophobicContact CE2-CD1 4.37Å; Y771-L825 HydrophobicContact CE2-CD2 4.3Å; F775-L825 HydrophobicContact CE2-CD1 3.92Å; F775-L825 HydrophobicContact CZ-CD1 3.94Å; C778-L825 HydrophobicContact CB-CG 4.39Å; Y817-L825 CarbonylContact O-C 3.53Å; Y817-L825 VanDerWaalsContact O-CA 3.31Å; Y817-L825 WeakPolarHBondContact O-CA 3.32Å; Y818-L825 HydrophobicContact CD2-CD2 4.22Å; L825-V828 HydrophobicContact CB-CG1 4.22Å; L825-V828 HydrophobicContact CD1-CG1 4.26Å
826	I	96	Very high	95.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	7.6	-176.9	61.1	164.5	0	0	0	113.6	L735 V736 F760 Y817 H822 I824	L735-I826 HydrophobicContact CB-CB 4.09Å; L735-I826 HydrophobicContact CB-CD1 3.91Å; L735-I826 HydrophobicContact CB-CG1 4.36Å; L735-I826 HydrophobicContact CD1-CB 4Å; L735-I826 HydrophobicContact CD1-CD1 3.94Å; L735-I826 HydrophobicContact CD1-CG2 4Å; L735-I826 HydrophobicContact CG-CB 4.3Å; L735-I826 PolarHBondContact N-O 3.23Å; V736-I826 HydrophobicContact CG2-CD1 3.79Å; V736-I826 HydrophobicContact CG2-CG1 4.02Å; V736-I826 PolarHBondContact N-O 3.3Å; F760-I826 HydrophobicContact CD2-CD1 4.09Å; F760-I826 HydrophobicContact CE1-CD1 4.09Å; F760-I826 HydrophobicContact CE2-CD1 3.48Å; F760-I826 VanDerWaalsContact CE2-CD1 3.48Å; F760-I826 HydrophobicContact CZ-CD1 3.48Å; F760-I826 VanDerWaalsContact CZ-CD1 3.48Å; Y817-I826 HydrophobicContact CD1-CD1 3.92Å; Y817-I826 HydrophobicContact CD1-CG1 3.65Å; Y817-I826 HydrophobicContact CE1-CD1 3.97Å; Y817-I826 HydrophobicContact CE1-CG1 4.23Å; Y817-I826 PolarHBondContact O-N 3.42Å; H822-I826 HydrophobicContact CB-CG2 4.02Å; I824-I826 HydrophobicContact CG2-CG2 3.53Å; I824-I826 PolarHBondContact O-N 3.39Å
827	G	96.6	Very high	94.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	137.2	173.9	0	0	0	0	0	108.7	V736 G816 Y817	V736-G827 WeakPolarHBondContact O-CA 3.39Å; G816-G827 CarbonylContact C-O 3.58Å; G816-G827 WeakPolarHBondContact CA-O 3.41Å; Y817-G827 PolarHBondContact N-O 3.44Å
828	V	97.6	Very high	93.6	Very high	24 Å²	24	36.9 Å²	36.9	15%	0.145	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	159.6	174.8	-57.8	0	0	0	0	109.9	Y510 P514 I814 L815 L825	Y510-V828 HydrophobicContact CD2-CG2 4.14Å; P514-V828 HydrophobicContact CG-CB 4.49Å; P514-V828 HydrophobicContact CG-CG1 4.39Å; P514-V828 HydrophobicContact CG-CG2 3.83Å; I814-V828 HydrophobicContact CG2-CB 4.41Å; L815-V828 CarbonylContact O-C 3.58Å; L815-V828 VanDerWaalsContact O-CA 3.25Å; L815-V828 WeakPolarHBondContact O-CA 3.21Å; L825-V828 HydrophobicContact CB-CG1 4.22Å; L825-V828 HydrophobicContact CD1-CG1 4.26Å
829	T	97.8	Very high	91.9	Very high	10 Å²	10	40 Å²	40	6%	0.061	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-92.5	168.7	165.9	61.8	0	0	0	0	111.1	L738 V740 L815	L738-T829 HydrophobicContact CB-CG2 3.45Å; L738-T829 VanDerWaalsContact CB-CG2 3.45Å; L738-T829 HydrophobicContact CD1-CG2 4.34Å; L738-T829 HydrophobicContact CG-CG2 4.48Å; V740-T829 HydrophobicContact CG1-CG2 4.02Å; L815-T829 HydrophobicContact CB-CG2 3.84Å; L815-T829 HydrophobicContact CD1-CG2 4.36Å; L815-T829 PolarHBondContact N-OG1 3.28Å; L815-T829 PolarHBondContact O-N 2.85Å
830	E	95.9	Very high	89.9	Confident	86 Å²	86	48.5 Å²	48.5	40%	0.402	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-67.2	167.4	152.7	-66.4	-46.2	135.5	0	0	111.2	W406 Y510	W406-E830 WeakPolarHBondContact CZ3-OE1 3.22Å; Y510-E830 PolarHBondContact OH-OE2 3.29Å
831	P	97	Very high	87.7	Confident	61 Å²	61	52.7 Å²	52.7	40%	0.396	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-60.1	137.4	171.6	-23.9	35.7	0	0	0	112.1	V773 F813 I814	V773-P831 HydrophobicContact CG2-CB 3.92Å; V773-P831 HydrophobicContact CG2-CG 4.16Å; F813-P831 CarbonylContact O-C 3.54Å; F813-P831 VanDerWaalsContact O-CA 3.29Å; F813-P831 WeakPolarHBondContact O-CA 3.15Å; I814-P831 HydrophobicContact CD1-CG 4.43Å; I814-P831 HydrophobicContact CG1-CG 4.25Å
832	F	97.3	Very high	85.4	Confident	8 Å²	8	53.6 Å²	53.6	4%	0.035	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	162.2	174.1	75.6	-76.8	0	0	0	109.6	V740 W744 L770 F813 L815 I834	V740-F832 HydrophobicContact CG1-CB 4.28Å; V740-F832 HydrophobicContact CG1-CD1 4.02Å; V740-F832 HydrophobicContact CG1-CD2 4.41Å; V740-F832 HydrophobicContact CG1-CG 3.97Å; V740-F832 HydrophobicContact CG2-CD2 4.01Å; V740-F832 HydrophobicContact CG2-CE2 3.9Å; V740-F832 HydrophobicContact CG2-CG 4.38Å; V740-F832 HydrophobicContact CG2-CZ 4.18Å; W744-F832 AromaticContact CD2-CE2 3.73Å; W744-F832 HydrophobicContact CD2-CE2 3.73Å; W744-F832 AromaticContact CE2-CE2 3.65Å; W744-F832 HydrophobicContact CE3-CE2 4.06Å; W744-F832 HydrophobicContact CG-CE2 4.21Å; W744-F832 HydrophobicContact CH2-CE2 4.27Å; W744-F832 HydrophobicContact CH2-CZ 4.16Å; W744-F832 AromaticContact CZ2-CE2 3.96Å; W744-F832 HydrophobicContact CZ2-CE2 3.96Å; W744-F832 HydrophobicContact CZ2-CZ 4.16Å; W744-F832 HydrophobicContact CZ3-CE2 4.3Å; W744-F832 HydrophobicContact CZ3-CZ 4.34Å; L770-F832 HydrophobicContact CD1-CE1 4.05Å; L770-F832 HydrophobicContact CD1-CZ 3.65Å; F813-F832 HydrophobicContact CB-CE1 4Å; F813-F832 HydrophobicContact CB-CZ 4.15Å; F813-F832 PolarHBondContact N-O 3.3Å; F813-F832 WeakPolarHBondContact O-CD1 3.32Å; F813-F832 PolarHBondContact O-N 3.16Å; L815-F832 HydrophobicContact CD1-CE1 3.77Å; L815-F832 HydrophobicContact CD1-CZ 3.84Å; L815-F832 HydrophobicContact CG-CE1 3.74Å; L815-F832 HydrophobicContact CG-CZ 4Å; F832-I834 HydrophobicContact CD2-CG1 4.42Å; F832-I834 HydrophobicContact CE2-CD1 3.98Å; F832-I834 HydrophobicContact CE2-CG1 3.74Å; F832-I834 HydrophobicContact CZ-CD1 4.07Å; F832-I834 HydrophobicContact CZ-CG1 4.29Å
833	Q	97.3	Very high	83.4	Confident	76 Å²	76	57 Å²	57	36%	0.355	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	144.6	-170.5	-60.6	-162.6	-51	0	0	112.7	D742 E743 W744 D812	D742-Q833 PolarHBondContact O-N 3.46Å; E743-Q833 CarbonylContact C-O 3.52Å; E743-Q833 VanDerWaalsContact CA-O 3.28Å; E743-Q833 WeakPolarHBondContact CA-O 3.38Å; E743-Q833 HydrophobicContact CB-CB 4.39Å; E743-Q833 HydrophobicContact CG-CB 4.05Å; W744-Q833 PolarHBondContact N-O 2.77Å; D812-Q833 WeakPolarHBondContact OD1-CG 3.24Å; D812-Q833 PolarHBondContact OD1-NE2 2.91Å
834	I	96.6	Very high	80.9	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.7	169	-57.8	-178.6	0	0	0	107.3	W744 L770 P807 H810 G811 F813 F832 L836	W744-I834 HydrophobicContact CB-CG1 4.27Å; W744-I834 HydrophobicContact CB-CG2 4.43Å; W744-I834 HydrophobicContact CD2-CD1 4.39Å; W744-I834 HydrophobicContact CD2-CG1 4.3Å; W744-I834 HydrophobicContact CE3-CD1 3.54Å; W744-I834 HydrophobicContact CE3-CG1 3.88Å; W744-I834 HydrophobicContact CZ3-CD1 3.86Å; L770-I834 HydrophobicContact CD1-CD1 3.97Å; L770-I834 HydrophobicContact CD2-CD1 3.76Å; L770-I834 HydrophobicContact CG-CD1 4.42Å; P807-I834 HydrophobicContact CG-CD1 4.14Å; P807-I834 HydrophobicContact CG-CG2 4.3Å; H810-I834 CarbonylContact C-O 3.44Å; H810-I834 VanDerWaalsContact CA-O 3.24Å; H810-I834 WeakPolarHBondContact CA-O 3.21Å; G811-I834 PolarHBondContact N-O 3.49Å; G811-I834 PolarHBondContact O-N 2.92Å; F813-I834 HydrophobicContact CB-CD1 4.12Å; F813-I834 HydrophobicContact CB-CG1 4.47Å; F813-I834 HydrophobicContact CD1-CD1 4.32Å; F813-I834 HydrophobicContact CD2-CB 3.71Å; F813-I834 HydrophobicContact CD2-CD1 3.64Å; F813-I834 HydrophobicContact CD2-CG1 3.61Å; F813-I834 HydrophobicContact CE2-CB 3.71Å; F813-I834 HydrophobicContact CE2-CD1 4.11Å; F813-I834 HydrophobicContact CE2-CG1 4.11Å; F813-I834 HydrophobicContact CG-CD1 3.77Å; F813-I834 HydrophobicContact CG-CG1 4.19Å; F832-I834 HydrophobicContact CD2-CG1 4.42Å; F832-I834 HydrophobicContact CE2-CD1 3.98Å; F832-I834 HydrophobicContact CE2-CG1 3.74Å; F832-I834 HydrophobicContact CZ-CD1 4.07Å; F832-I834 HydrophobicContact CZ-CG1 4.29Å; I834-L836 HydrophobicContact CG2-CB 4.4Å; I834-L836 HydrophobicContact CG2-CD1 3.56Å; I834-L836 HydrophobicContact CG2-CG 3.61Å
835	S	94.6	Very high	78.4	Confident	30 Å²	30	64.8 Å²	64.8	21%	0.21	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	52.4	-168.8	-63.8	0	0	0	0	110	E743 W744 H810	E743-S835 WeakPolarHBondContact OE1-CB 3.4Å; E743-S835 PolarHBondContact OE1-OG 3.45Å; W744-S835 PolarHBondContact O-N 3.16Å; H810-S835 PolarHBondContact CD2-OG 2.91Å
836	L	91.8	Very high	75.6	Confident	12 Å²	12	70.7 Å²	70.7	6%	0.063	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	138.5	-170.5	-68.1	171.9	0	0	0	112	R746 P747 L806 G809 I834 S838	R746-L836 VanDerWaalsContact C-CD2 3.42Å; P747-L836 HydrophobicContact CG-CD2 4.27Å; L806-L836 HydrophobicContact CB-CD1 3.61Å; L806-L836 HydrophobicContact CD1-CD1 3.79Å; L806-L836 HydrophobicContact CG-CD1 4.21Å; G809-L836 VanDerWaalsContact CA-O 3.31Å; G809-L836 WeakPolarHBondContact CA-O 3.43Å; G809-L836 PolarHBondContact N-O 3.17Å; G809-L836 PolarHBondContact O-N 3.26Å; G809-L836 VanDerWaalsContact O-N 3.07Å; I834-L836 HydrophobicContact CG2-CB 4.4Å; I834-L836 HydrophobicContact CG2-CD1 3.56Å; I834-L836 HydrophobicContact CG2-CG 3.61Å; L836-S838 PolarHBondContact O-N 2.85Å
837	P	85.6	Confident	72.8	Confident	97 Å²	97	78.2 Å²	78.2	63%	0.63	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-62.1	126.5	-175.1	24	-33.6	0	0	0	112	S839	P837-S839 PolarHBondContact O-N 3.01Å
838	S	75.3	Confident	70.1	Confident	74 Å²	74	83.7 Å²	83.7	52%	0.517	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-61.7	134.2	167.9	-67.9	0	0	0	0	109.9	L836 E840	L836-S838 PolarHBondContact O-N 2.85Å; S838-E840 PolarHBondContact O-N 3.07Å
839	S	61.1	Low	67.3	Low	89 Å²	89	88.4 Å²	88.4	62%	0.622	55%	0.548	S	S	*	.	S	Bend	trans	-79.4	45.4	-175.4	-176.6	0	0	0	0	112.8	P837	P837-S839 PolarHBondContact O-N 3.01Å
840	E	52.2	Low	64.5	Low	178 Å²	178	93.1 Å²	93.1	83%	0.832	58%	0.582	S	S	*	*			trans	-134.4	49.2	-179.3	-67.7	-165.9	159.4	0	0	111.3	S838	S838-E840 PolarHBondContact O-N 3.07Å
841	L	46.5	Very low	61.5	Low	171 Å²	171	94.6 Å²	94.6	90%	0.895	60%	0.597	S	S	*	*			trans	-148.8	46.4	170.1	-113.6	162.3	0	0	0	110.9
842	A	42.8	Very low	58.6	Low	100 Å²	100	97.1 Å²	97.1	83%	0.826	62%	0.616	S	S	*	*	S	Bend	trans	-129.9	32.4	-178.2	0	0	0	0	0	112.8
843	S	46.9	Very low	55.7	Low	105 Å²	105	102.6 Å²	102.6	73%	0.734	66%	0.656	S	S	*	*	S	Bend	trans	-150.9	157.8	166.5	62.7	0	0	0	0	111.3
844	S	38.4	Very low	52.9	Low	120 Å²	120	108.5 Å²	108.5	84%	0.839	68%	0.683	S	S	*	*			trans	72.1	70.4	177.8	70.1	0	0	0	0	118.8
845	S	42.1	Very low	49.9	Very low	116 Å²	116	112.1 Å²	112.1	81%	0.811	72%	0.72	S	S	*	*			trans	-151.4	49.1	142.6	71.5	0	0	0	0	113.6
846	T	39.4	Very low	47.2	Very low	126 Å²	126	119.6 Å²	119.6	77%	0.773	75%	0.752	S	S	*	*	S	Bend	trans	-154.6	124.1	162.9	-2.1	0	0	0	0	112.4
847	D	35.4	Very low	44.4	Very low	159 Å²	159	126.7 Å²	126.7	85%	0.85	79%	0.79	S	S	*	*			trans	41	129.4	151.1	-55.8	-14.7	0	0	0	122.9
848	S	40.8	Very low	41.8	Very low	116 Å²	116	128.3 Å²	128.3	81%	0.811	79%	0.793	S	S	*	*			trans	-90.1	135.7	172.1	56.3	0	0	0	0	113.3
849	S	39.8	Very low	39.7	Very low	122 Å²	122	130.5 Å²	130.5	85%	0.853	81%	0.809	S	S	*	*			trans	-162.7	161.9	137.8	35.2	0	0	0	0	112.1
850	S	37	Very low	38.7	Very low	109 Å²	109	132 Å²	132	76%	0.762	81%	0.814	S	S	*	*			trans	-70	162.4	-179	49.2	0	0	0	0	112.2
851	T	34.8	Very low	37.8	Very low	118 Å²	118	131.4 Å²	131.4	72%	0.724	82%	0.816	S	S	*	*				-161.3	148.6	51.1	49.8	0	0	0	0	115.2
852	S	35.1	Very low	37	Very low	114 Å²	114	132 Å²	132	80%	0.797	81%	0.814	S	S	*	*			trans	18.4	126.4	148.6	62.2	0	0	0	0	122.4
853	S	36	Very low	36.5	Very low	123 Å²	123	135.1 Å²	135.1	86%	0.86	82%	0.816	S	S	*	*				-161.7	155.4	121.4	-170.9	0	0	0	0	110.3
854	E	38.9	Very low	35.6	Very low	199 Å²	199	136.9 Å²	136.9	93%	0.93	82%	0.817	S	S	*	*			trans	-89.9	160.1	-179	-56.2	-178.6	135.6	0	0	112.4
855	G	34.1	Very low	35.5	Very low	76 Å²	76	135.1 Å²	135.1	78%	0.784	81%	0.809	S	S	*	*			trans	176	124.9	176.3	0	0	0	0	0	111.6
856	E	37	Very low	35.1	Very low	188 Å²	188	136 Å²	136	88%	0.879	81%	0.812	S	S	*	*			trans	-82.9	160.9	-161.6	-61.4	164.9	116.2	0	0	115.8
857	D	33.9	Very low	34.8	Very low	160 Å²	160	137.5 Å²	137.5	86%	0.856	81%	0.808	S	S	*	*			trans	96.4	146.3	133.9	-111.4	-1.7	0	0	0	124.4
858	D	31.4	Very low	34.9	Very low	132 Å²	132	135.4 Å²	135.4	71%	0.706	81%	0.806	S	S	*	*			trans	59.5	131	165.7	-147.7	-3.4	0	0	0	120.9
859	S	29.9	Very low	34.8	Very low	120 Å²	120	140.4 Å²	140.4	84%	0.839	81%	0.807	S	S	*	*			trans	-161.8	84.6	168.9	-81.7	0	0	0	0	110.8
860	T	40.8	Very low	34.7	Very low	120 Å²	120	140 Å²	140	74%	0.736	80%	0.804	S	S	*	*			trans	-139.3	98.7	160.6	-70.2	0	0	0	0	109.9
861	L	32.3	Very low	34.8	Very low	166 Å²	166	137.6 Å²	137.6	87%	0.869	79%	0.785	S	S	*	*			trans	171.1	113.9	145	-96.6	163.2	0	0	0	111.4
862	E	30.7	Very low	34.9	Very low	183 Å²	183	136.7 Å²	136.7	86%	0.855	78%	0.784	S	S	*	*			trans	-123.8	175.9	156.4	-91.3	-148.2	119.1	0	0	110
863	L	31.3	Very low	34.8	Very low	165 Å²	165	136.1 Å²	136.1	86%	0.864	78%	0.777	S	S	*	*			trans	72.9	69	-178.1	-53.4	178.3	0	0	0	116.3
864	L	29.5	Very low	34.7	Very low	143 Å²	143	133.7 Å²	133.7	75%	0.749	77%	0.772	S	S	*	*			trans	-132.7	107.4	146.5	-78.3	-178.7	0	0	0	110.8
865	A	36.4	Very low	34.7	Very low	82 Å²	82	134.8 Å²	134.8	68%	0.678	77%	0.773	S	S	*	*			trans	-65.1	154	171.4	0	0	0	0	0	112	K867	A865-K867 PolarHBondContact O-N 3.43Å
866	P	33.5	Very low	34.5	Very low	134 Å²	134	136.6 Å²	136.6	87%	0.87	77%	0.774	S	S	*	*			trans	-58.6	132.4	-179	-25.2	35.4	0	0	0	112.9
867	K	33.2	Very low	34.2	Very low	159 Å²	159	137.8 Å²	137.8	69%	0.691	78%	0.776	S	S	*	*			trans	-89.6	114.8	-175.8	-70.9	164.4	-176.3	158.4	0	110.7	A865 R869	A865-K867 PolarHBondContact O-N 3.43Å; K867-R869 PolarHBondContact O-N 3.12Å
868	S	35.5	Very low	34.1	Very low	115 Å²	115	141.5 Å²	141.5	80%	0.804	78%	0.778	S	S	*	*			trans	-61	126.4	167.7	50.4	0	0	0	0	110.7
869	R	38.7	Very low	34	Very low	221 Å²	221	144.4 Å²	144.4	83%	0.834	79%	0.788	S	S	*	*			trans	-136.3	119.6	169.4	-83.5	-170.9	167.3	-156.6	-2.2	108.2	K867 P871	K867-R869 PolarHBondContact O-N 3.12Å; R869-P871 VanDerWaalsContact O-CD 3.28Å; R869-P871 WeakPolarHBondContact O-CD 3.48Å
870	S	39	Very low	34.1	Very low	113 Å²	113	150.1 Å²	150.1	79%	0.79	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-59.1	120.7	167.5	-50.3	0	0	0	0	109.6
871	P	39.2	Very low	33.6	Very low	58 Å²	58	148.9 Å²	148.9	38%	0.377	79%	0.787	S	S	.	*	P	Polyproline II helix	trans	-98.6	142.9	-179.7	35	-28.7	0	0	0	111.9	Y784 R869	Y784-P871 VanDerWaalsContact OH-CD 3.31Å; Y784-P871 WeakPolarHBondContact OH-CD 3.26Å; Y784-P871 WeakPolarHBondContact OH-CG 3.5Å; R869-P871 VanDerWaalsContact O-CD 3.28Å; R869-P871 WeakPolarHBondContact O-CD 3.48Å
872	S	36.1	Very low	33.4	Very low	100 Å²	100	152.5 Å²	152.5	70%	0.699	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-78.1	152.9	164.3	-51.6	0	0	0	0	110.5	G874	S872-G874 PolarHBondContact O-N 3.34Å; S872-G874 VanDerWaalsContact O-N 3.17Å
873	P	33.8	Very low	33.5	Very low	101 Å²	101	149.3 Å²	149.3	66%	0.656	79%	0.787	S	S	*	*			trans	-62.5	115.4	-177.2	-24.6	34.6	0	0	0	113.7	W765	W765-P873 HydrophobicContact CH2-CG 4.29Å; W765-P873 HydrophobicContact CZ3-CG 4.48Å
874	G	33.1	Very low	33.7	Very low	72 Å²	72	147.8 Å²	147.8	74%	0.742	79%	0.787	S	S	*	*			trans	-109	121	175.6	0	0	0	0	0	112	S872	S872-G874 PolarHBondContact O-N 3.34Å; S872-G874 VanDerWaalsContact O-N 3.17Å
875	K	38.2	Very low	33.6	Very low	222 Å²	222	144.3 Å²	144.3	97%	0.965	79%	0.785	S	S	*	*			trans	-79.5	130.8	178.9	-64.8	179.8	-179.6	178	0	111.1
876	S	30.2	Very low	33.2	Very low	114 Å²	114	148.1 Å²	148.1	80%	0.797	79%	0.793	S	S	*	*			trans	-106.5	126.8	176.2	57.3	0	0	0	0	112.3
877	K	31	Very low	33	Very low	213 Å²	213	147.6 Å²	147.6	93%	0.926	79%	0.788	S	S	*	*			trans	-164.6	127.1	153.3	-112.9	167.8	-174.7	177.2	0	109.6
878	R	32.8	Very low	32.6	Very low	238 Å²	238	151.3 Å²	151.3	90%	0.898	80%	0.798	S	S	*	*			trans	-95.4	143	174	-80.8	-179.7	167.8	-179.8	-1.7	109.9
879	H	29.3	Very low	32.1	Very low	194 Å²	194	154.9 Å²	154.9	90%	0.898	80%	0.799	S	S	*	*			trans	-143.7	142	146.3	-99.1	-89	0	0	0	109.8
880	R	30.8	Very low	32.3	Very low	239 Å²	239	150.5 Å²	150.5	90%	0.902	80%	0.799	S	S	*	*			trans	-80.6	156.7	162.1	-66.5	173.8	160.8	167.6	-7.8	107.1
881	S	31.4	Very low	31.8	Very low	94 Å²	94	148 Å²	148	66%	0.657	79%	0.792	S	S	*	*			cis	-178	174	46.9	65	0	0	0	0	113.2
882	R	28	Very low	31.2	Very low	242 Å²	242	153.9 Å²	153.9	91%	0.913	82%	0.819	S	S	*	*			trans	74.9	122.7	158.4	-64.7	174.2	-173.5	-129.6	-1.5	119.4
883	S	32.3	Very low	30.7	Very low	116 Å²	116	153 Å²	153	81%	0.811	82%	0.818	S	S	*	*			trans	-95.7	164.3	165	-45.3	0	0	0	0	110.7
884	P	36.2	Very low	30.2	Very low	134 Å²	134	156.7 Å²	156.7	87%	0.87	83%	0.831	S	S	*	*				-142	177	91.7	38.4	-23.9	0	0	0	113.1
885	G	26	Very low	29.8	Very low	69 Å²	69	164.8 Å²	164.8	71%	0.711	84%	0.839	S	S	*	*			cis	161.1	125.5	-11.5	0	0	0	0	0	113.5
886	L	29	Very low	30.2	Very low	162 Å²	162	159.6 Å²	159.6	85%	0.848	83%	0.828	S	S	*	*			trans	36	138.4	152.5	-62.3	167.6	0	0	0	120.5
887	T	28.8	Very low	29.9	Very low	124 Å²	124	159.3 Å²	159.3	76%	0.761	83%	0.826	S	S	*	*			cis	-153.9	172.2	42.8	49.5	0	0	0	0	109.9
888	R	24.3	Very low	29.8	Very low	237 Å²	237	154.7 Å²	154.7	89%	0.894	82%	0.821	S	S	*	*				-166.7	150.4	57.9	-145.8	174.5	-169.8	169.9	2.8	112.6
889	F	26.3	Very low	29.6	Very low	190 Å²	190	153.3 Å²	153.3	83%	0.833	82%	0.815	S	S	*	*			trans	-104.1	-174.8	175.5	-82.5	-85.3	0	0	0	110.8
890	P	43.3	Very low	29.5	Very low	128 Å²	128	149 Å²	149	83%	0.831	80%	0.796	S	S	*	*			cis	-125.6	-175.1	-3.8	29.8	-7.2	0	0	0	113.8
891	G	27	Very low	29.4	Very low	62 Å²	62	145.7 Å²	145.7	64%	0.639	78%	0.783	S	S	*	*			cis	158.3	159	-10.8	0	0	0	0	0	113.5
892	L	27.3	Very low	29.2	Very low	180 Å²	180	151.4 Å²	151.4	94%	0.942	79%	0.79	S	S	*	*			trans	60.3	141.4	157.8	-71.1	173.5	0	0	0	120.1
893	A	24.8	Very low	29.2	Very low	82 Å²	82	143.4 Å²	143.4	68%	0.678	78%	0.783	S	S	*	*			cis	-161.8	178.1	2.3	0	0	0	0	0	115.2
894	L	24.1	Very low	29	Very low	178 Å²	178	143 Å²	143	93%	0.932	79%	0.787	S	S	*	*			trans	84.3	170.7	153.9	-68.1	172.4	0	0	0	121.5
895	R	24.8	Very low	28.6	Very low	243 Å²	243	141.8 Å²	141.8	92%	0.917	78%	0.782	S	S	*	*			trans	-123.9	170.8	-150	-110.3	-168.7	167.6	-175.1	-2.7	113.8
896	P	46.1	Very low	28.7	Very low	113 Å²	113	149.9 Å²	149.9	73%	0.734	79%	0.791	S	S	*	*			trans	-103.9	166.4	-161.6	40.1	-38.2	0	0	0	116.9
897	S	24.9	Very low	28.5	Very low	108 Å²	108	147.4 Å²	147.4	76%	0.755	79%	0.787	S	S	*	*			trans	178.8	148.3	133.7	52.5	0	0	0	0	115.8
898	S	27.4	Very low	29.1	Very low	116 Å²	116	147 Å²	147	81%	0.811	79%	0.786	S	S	*	*			trans	67.1	162.7	161.8	87.7	0	0	0	0	117.7
899	R	28.8	Very low	29.1	Very low	208 Å²	208	140.9 Å²	140.9	79%	0.785	78%	0.78	S	S	*	*			cis	-151.6	176.3	-3.2	-159.6	165.1	169.5	159.4	1.2	110.9
900	E	28	Very low	29.8	Very low	105 Å²	105	136.7 Å²	136.7	49%	0.491	77%	0.772	S	S	.	*			trans	-30.4	162.2	171.1	-50.1	163.1	57.1	0	0	117.3
901	R	28	Very low	28.8	Very low	169 Å²	169	139.4 Å²	139.4	64%	0.638	77%	0.773	S	S	*	*				179	135.5	50.8	-173.4	165.7	-90	-158.3	-0.5	115.8
902	R	28.6	Very low	28.8	Very low	213 Å²	213	141 Å²	141	80%	0.804	78%	0.775	S	S	*	*			trans	50.8	151.9	151.3	-62.4	166	-153.8	-136	-0.9	120.6
903	G	26.5	Very low	28.8	Very low	74 Å²	74	142.5 Å²	142.5	76%	0.763	77%	0.768	S	S	*	*			cis	155.9	166.5	-6.1	0	0	0	0	0	113.4
904	A	28.5	Very low	28.8	Very low	107 Å²	107	148 Å²	148	88%	0.884	77%	0.771	S	S	*	*			trans	-147.3	154.7	175	0	0	0	0	0	112.9
905	S	28.9	Very low	28.9	Very low	109 Å²	109	145.6 Å²	145.6	76%	0.762	76%	0.759	S	S	*	*			trans	-122.1	166.5	177.6	5.8	0	0	0	0	109.2
906	R	26.5	Very low	28.8	Very low	239 Å²	239	137 Å²	137	90%	0.902	74%	0.736	S	S	*	*			cis	-157.1	174.2	17	-122.7	160.3	-165.8	-148.1	5.1	109.9
907	S	26.1	Very low	27.9	Very low	110 Å²	110	136.5 Å²	136.5	77%	0.769	72%	0.72	S	S	*	*			trans	-70.1	-177.1	176	-21.3	0	0	0	0	114
908	P	41.4	Very low	28	Very low	115 Å²	115	135.7 Å²	135.7	75%	0.747	71%	0.71	S	S	*	*			cis	-122.2	167.1	3.1	37.8	-19.1	0	0	0	114
909	S	24.4	Very low	28.1	Very low	110 Å²	110	134.5 Å²	134.5	77%	0.769	71%	0.707	S	S	*	*				56	145.8	62.8	-55.8	0	0	0	0	115
910	P	39.5	Very low	28.5	Very low	101 Å²	101	128.7 Å²	128.7	66%	0.656	70%	0.696	S	S	*	*			cis	-145.5	-169.8	23	46.2	-27.2	0	0	0	117.7
911	Q	24.1	Very low	28.5	Very low	185 Å²	185	129.6 Å²	129.6	86%	0.864	70%	0.704	S	S	*	*			trans	72.4	148	161.5	-61.7	171.2	31.9	0	0	117.2
912	S	26.8	Very low	28.5	Very low	97 Å²	97	131.5 Å²	131.5	68%	0.678	71%	0.712	S	S	*	*			cis	-148.7	173.3	7.5	92.6	0	0	0	0	114.3
913	R	26.1	Very low	28.4	Very low	211 Å²	211	125.6 Å²	125.6	80%	0.796	70%	0.703	S	S	*	*			trans	10	156.2	139.3	-60.5	178.8	176.3	-170.1	-0.6	119.6
914	R	25.6	Very low	28.4	Very low	196 Å²	196	126.3 Å²	126.3	74%	0.74	70%	0.696	S	S	*	*			cis	-174	164.6	-3.6	-113.7	-179.4	172.9	-148.6	1.1	108.2
915	L	26.7	Very low	28.3	Very low	128 Å²	128	130.2 Å²	130.2	67%	0.67	70%	0.696	S	S	*	*			trans	44	138.9	146.9	-57.1	170.1	0	0	0	120.1
916	S	22.7	Very low	28.1	Very low	62 Å²	62	128.2 Å²	128.2	43%	0.434	69%	0.692	S	S	.	*			cis	87.4	71.4	28.5	-48.1	0	0	0	0	117.8
917	R	27	Very low	28.1	Very low	104 Å²	104	122.6 Å²	122.6	39%	0.392	69%	0.689	S	S	.	*				81.1	141.1	127	-141.6	-172.6	178.3	-135.8	25.1	121.3	R525 G529 G530 Y531	R525-R917 PolarHBondContact O-NH1 3.3Å; R525-R917 PolarHBondContact O-NH2 2.92Å; G529-R917 PolarHBondContact O-NH1 2.72Å; G530-R917 WeakPolarHBondContact O-CD 3.46Å; G530-R917 PolarHBondContact O-NE 3.27Å; G530-R917 PolarHBondContact O-NH1 3.42Å; G530-R917 VanDerWaalsContact O-NH1 3.16Å; Y531-R917 HydrophobicContact CD2-CB 4.24Å; Y531-R917 HydrophobicContact CD2-CG 4.47Å; Y531-R917 HydrophobicContact CE2-CB 3.96Å; Y531-R917 HydrophobicContact CE2-CG 4.13Å
918	V	27.3	Very low	28.1	Very low	91 Å²	91	123.1 Å²	123.1	55%	0.552	69%	0.693	S	S	*	*			trans	76	125.2	148.6	136.3	0	0	0	0	118.9	G529	G529-V918 WeakPolarHBondContact O-CB 3.31Å
919	A	29.4	Very low	27.4	Very low	91 Å²	91	129.3 Å²	129.3	75%	0.752	70%	0.702	S	S	*	*			trans	-104.1	138.5	141.2	0	0	0	0	0	107.9
920	P	36.3	Very low	27.4	Very low	86 Å²	86	127 Å²	127	56%	0.558	70%	0.695	S	S	*	*			trans	-86	164.8	151.7	34.9	-28.9	0	0	0	110.1
921	D	27.2	Very low	26.8	Very low	123 Å²	123	127 Å²	127	66%	0.658	70%	0.698	S	S	*	*			trans	-129.9	143.1	-173.7	-171.8	26.6	0	0	0	111.9
922	R	29.1	Very low	27	Very low	210 Å²	210	123 Å²	123	79%	0.792	69%	0.689	S	S	*	*			trans	62.7	159.5	170.3	-69.6	154	-155.8	-128.7	-2.7	116.2
923	S	26.2	Very low	27.1	Very low	88 Å²	88	127.1 Å²	127.1	62%	0.615	70%	0.698	S	S	*	*			cis	-158	142.2	31.4	61.7	0	0	0	0	116
924	S	26.5	Very low	27.2	Very low	90 Å²	90	126.8 Å²	126.8	63%	0.629	71%	0.706	S	S	*	*			trans	20.4	128.6	141.4	59.7	0	0	0	0	121.6
925	H	26.9	Very low	27.2	Very low	189 Å²	189	120.9 Å²	120.9	88%	0.875	71%	0.706	S	S	*	*				-178.2	161.8	97.1	-105.7	-77.9	0	0	0	112.9
926	G	23.4	Very low	27.9	Very low	67 Å²	67	120.6 Å²	120.6	69%	0.691	71%	0.711	S	S	*	*			trans	134.2	54.7	179.8	0	0	0	0	0	112.4
927	S	26.5	Very low	28.2	Very low	120 Å²	120	123.7 Å²	123.7	84%	0.839	73%	0.733	S	S	*	*				69.6	103.1	82.7	-165.2	0	0	0	0	113.1
928	S	26.5	Very low	28.2	Very low	121 Å²	121	122.5 Å²	122.5	85%	0.846	75%	0.753	S	S	*	*			trans	-148.3	130	166.5	56.5	0	0	0	0	110.7
929	R	26.3	Very low	28.3	Very low	246 Å²	246	126.4 Å²	126.4	93%	0.928	77%	0.77	S	S	*	*			trans	-157.6	91.7	169.1	-164.3	179.6	-172.1	-152.7	-0.5	111.9
930	G	24.9	Very low	28.7	Very low	60 Å²	60	128 Å²	128	62%	0.619	77%	0.773	S	S	*	*			trans	-90.8	137.6	141.7	0	0	0	0	0	108.1
931	S	27.4	Very low	28.2	Very low	103 Å²	103	127 Å²	127	72%	0.72	78%	0.778	S	S	*	*				62.5	94.4	86.2	67.7	0	0	0	0	111.9
932	S	28.5	Very low	29.1	Very low	99 Å²	99	126.5 Å²	126.5	69%	0.692	78%	0.781	S	S	*	*				71.1	133.3	77.1	70	0	0	0	0	112.4
933	E	28	Very low	29	Very low	185 Å²	185	128.3 Å²	128.3	86%	0.864	79%	0.788	S	S	*	*			cis	-157.8	-159	0.9	-129.2	171	140.3	0	0	110.9
934	E	27.9	Very low	29	Very low	203 Å²	203	128.6 Å²	128.6	95%	0.949	80%	0.796	S	S	*	*			trans	90.1	152.1	173.5	-51.8	-166.1	118.9	0	0	118.8
935	G	26.3	Very low	29	Very low	72 Å²	72	134 Å²	134	74%	0.742	81%	0.809	S	S	*	*			trans	-145.2	-147.4	-175.4	0	0	0	0	0	110.9
936	P	42.6	Very low	30.3	Very low	122 Å²	122	130.5 Å²	130.5	79%	0.792	80%	0.803	S	S	*	*			cis	-135.7	-165.8	4.6	43.5	-25.5	0	0	0	115
937	S	27.8	Very low	30.7	Very low	128 Å²	128	133.4 Å²	133.4	90%	0.895	81%	0.81	S	S	*	*			trans	72.3	147.2	173.4	77.3	0	0	0	0	117.3
938	G	26.7	Very low	30.8	Very low	78 Å²	78	132 Å²	132	80%	0.804	81%	0.806	S	S	*	*			cis	-159.2	172.6	-2.3	0	0	0	0	0	113.2
939	L	30.8	Very low	31.1	Very low	173 Å²	173	132.9 Å²	132.9	91%	0.906	81%	0.805	S	S	*	*			trans	-78.7	167.9	-174.3	-77.8	167.7	0	0	0	114
940	P	36.4	Very low	31.4	Very low	125 Å²	125	127 Å²	127	81%	0.812	80%	0.799	S	S	*	*			cis	-139.8	-174.2	25.7	41.6	-20.8	0	0	0	118.2
941	G	26.3	Very low	31.7	Very low	65 Å²	65	136 Å²	136	67%	0.67	82%	0.815	S	S	*	*			trans	-95.9	-152.9	172.7	0	0	0	0	0	114.1
942	P	45.9	Very low	31.9	Very low	112 Å²	112	136.6 Å²	136.6	73%	0.727	82%	0.819	S	S	*	*			cis	-147.1	-177.4	10.7	44.8	-25.1	0	0	0	119
943	W	27.8	Very low	31.9	Very low	248 Å²	248	140.2 Å²	140.2	94%	0.939	83%	0.829	S	S	*	*			trans	64.4	129.1	158.1	-69.2	103.3	0	0	0	124.8
944	A	25.9	Very low	31.8	Very low	95 Å²	95	134.5 Å²	134.5	79%	0.785	82%	0.82	S	S	*	*			trans	93.9	161.9	137.9	0	0	0	0	0	124.8
945	F	26.8	Very low	31.8	Very low	203 Å²	203	132.8 Å²	132.8	89%	0.89	82%	0.816	S	S	*	*			trans	-106.5	-167.4	-163.2	-57.6	-94.9	0	0	0	114.5
946	P	53.4	Low	31.9	Very low	116 Å²	116	136.7 Å²	136.7	75%	0.753	82%	0.82	S	S	*	*			cis	-125.3	-159.5	-37.8	33.6	-11.8	0	0	0	111.7
947	P	31.4	Very low	31.3	Very low	128 Å²	128	136.9 Å²	136.9	83%	0.831	82%	0.821	S	S	*	*				-151.7	-163.8	84.4	39.8	-17.7	0	0	0	115.5
948	A	29.9	Very low	31.4	Very low	91 Å²	91	135.5 Å²	135.5	75%	0.752	82%	0.817	S	S	*	*			trans	-160.8	-171.1	-174.9	0	0	0	0	0	114.7
949	V	31.6	Very low	31.3	Very low	139 Å²	139	139.9 Å²	139.9	84%	0.842	82%	0.821	S	S	*	*			trans	86.9	144.3	170.6	-171.9	0	0	0	0	113
950	P	32.8	Very low	31.3	Very low	123 Å²	123	141.7 Å²	141.7	80%	0.799	82%	0.816	S	S	*	*			cis	-135.1	-172.6	36.1	43.6	-24.2	0	0	0	119.5
951	R	31	Very low	30.8	Very low	249 Å²	249	143.6 Å²	143.6	94%	0.94	82%	0.818	S	S	*	*			trans	-132.9	141.3	-179.5	-100.2	-174.1	169.8	-172	-3	112.7
952	S	32.1	Very low	30.9	Very low	115 Å²	115	147.7 Å²	147.7	80%	0.804	82%	0.82	S	S	*	*			trans	-171.2	-172.9	165.6	55.2	0	0	0	0	109.1
953	L	27.7	Very low	30	Very low	174 Å²	174	147.8 Å²	147.8	91%	0.911	82%	0.819	S	S	*	*				-145.4	160.9	-65.2	-93.6	171.5	0	0	0	106.9
954	G	26.1	Very low	30.1	Very low	66 Å²	66	142.6 Å²	142.6	68%	0.68	81%	0.814	S	S	*	*			cis	164	42.1	-2.7	0	0	0	0	0	115.6
955	L	28.4	Very low	30.3	Very low	166 Å²	166	145.2 Å²	145.2	87%	0.869	82%	0.815	S	S	*	*			trans	-119.6	112.5	-175.3	-91.2	170.6	0	0	0	115.1
956	L	27.9	Very low	30.7	Very low	155 Å²	155	141.6 Å²	141.6	81%	0.812	81%	0.812	S	S	*	*			trans	35.3	108.2	151	-58.5	178.8	0	0	0	121.3
957	P	31.4	Very low	29.5	Very low	126 Å²	126	139.9 Å²	139.9	82%	0.818	82%	0.816	S	S	*	*			trans	-85.5	167.9	148.6	36.5	-32.6	0	0	0	112
958	A	29.7	Very low	29.4	Very low	99 Å²	99	137.7 Å²	137.7	82%	0.818	82%	0.816	S	S	*	*			trans	-85.8	126.5	-177	0	0	0	0	0	113.8	R960	A958-R960 PolarHBondContact O-N 2.74Å
959	L	24.8	Very low	29.3	Very low	170 Å²	170	137.4 Å²	137.4	89%	0.89	82%	0.822	S	S	*	*			trans	16	92.4	156.1	-68.7	164.6	0	0	0	117.7
960	R	30.9	Very low	29.2	Very low	211 Å²	211	134.7 Å²	134.7	80%	0.796	82%	0.822	S	S	*	*			trans	-77.6	150.4	136.3	-83.9	-174.8	174	165.1	-1.2	108.8	A958	A958-R960 PolarHBondContact O-N 2.74Å
961	L	25.4	Very low	29	Very low	164 Å²	164	133.4 Å²	133.4	86%	0.859	82%	0.816	S	S	*	*			trans	-111.1	99.6	171.7	-164	78.1	0	0	0	108.4
962	E	27.6	Very low	29	Very low	152 Å²	152	133.7 Å²	133.7	71%	0.71	82%	0.817	S	S	*	*			trans	-104.9	132.7	174.2	-72.7	171.1	-169.5	0	0	108.8
963	T	27.9	Very low	28.8	Very low	113 Å²	113	131.5 Å²	131.5	69%	0.693	81%	0.813	S	S	*	*			trans	-95.9	132.2	-179.9	49.2	0	0	0	0	110.9
964	V	28.7	Very low	29.9	Very low	139 Å²	139	128.8 Å²	128.8	84%	0.842	81%	0.806	S	S	*	*			trans	-112.8	142.1	177.7	178.5	0	0	0	0	110
965	D	30.2	Very low	30.1	Very low	150 Å²	150	132.7 Å²	132.7	80%	0.802	81%	0.811	S	S	*	*			trans	-66.4	143.6	-178.6	-84.1	-62.9	0	0	0	114.4	G967	D965-G967 PolarHBondContact O-N 3.13Å; D965-G967 VanDerWaalsContact O-N 3.08Å
966	P	36.3	Very low	30.1	Very low	127 Å²	127	134.2 Å²	134.2	83%	0.825	81%	0.806	S	S	*	*			trans	-83.7	75.1	175.6	34.8	-35	0	0	0	112.1	G968	P966-G968 PolarHBondContact O-N 2.72Å
967	G	26.9	Very low	30.2	Very low	81 Å²	81	133.5 Å²	133.5	84%	0.835	80%	0.798	S	S	*	*			trans	-77.8	106.7	164.1	0	0	0	0	0	110.9	D965	D965-G967 PolarHBondContact O-N 3.13Å; D965-G967 VanDerWaalsContact O-N 3.08Å
968	G	29.8	Very low	30	Very low	82 Å²	82	133.4 Å²	133.4	85%	0.845	80%	0.795	S	S	*	*			trans	-109.5	137.9	-173.1	0	0	0	0	0	115	P966	P966-G968 PolarHBondContact O-N 2.72Å
969	G	28.2	Very low	29.9	Very low	84 Å²	84	136.7 Å²	136.7	87%	0.866	80%	0.798	S	S	*	*			trans	121.1	142.1	177.5	0	0	0	0	0	111.7
970	G	29.1	Very low	30.2	Very low	83 Å²	83	132.6 Å²	132.6	86%	0.856	79%	0.788	S	S	*	*			cis	-174.9	153.5	-3.9	0	0	0	0	0	108.1
971	S	29.2	Very low	31.2	Very low	96 Å²	96	128 Å²	128	67%	0.671	79%	0.786	S	S	*	*			trans	-129	161	-170	-170.6	0	0	0	0	112.8
972	W	30.8	Very low	31.4	Very low	254 Å²	254	127.5 Å²	127.5	96%	0.962	78%	0.784	S	S	*	*			trans	68.7	147.8	-179	-42.1	89.7	0	0	0	113.8
973	G	28.8	Very low	31.6	Very low	69 Å²	69	124.5 Å²	124.5	71%	0.711	78%	0.78	S	S	*	*			cis	-157.3	-171.1	1	0	0	0	0	0	111.7
974	P	49	Very low	31.8	Very low	117 Å²	117	127.1 Å²	127.1	76%	0.76	79%	0.789	S	S	*	*			trans	-104.5	176.1	-157.5	39.9	-37.9	0	0	0	117.8
975	D	30.2	Very low	31.9	Very low	149 Å²	149	125.2 Å²	125.2	80%	0.797	78%	0.782	S	S	*	*			trans	102.6	133.6	145.6	-78.9	-37.9	0	0	0	123.9
976	R	29.8	Very low	33.1	Very low	198 Å²	198	124.4 Å²	124.4	75%	0.747	78%	0.784	S	S	*	*			trans	78	134.5	153.5	-71.6	175	80.8	167.1	-0	124
977	E	28.7	Very low	33.1	Very low	139 Å²	139	123.1 Å²	123.1	65%	0.65	78%	0.778	S	S	*	*			trans	72.9	101.2	143.3	-74.9	159.7	-161.2	0	0	120.8
978	V	28.4	Very low	34.5	Very low	124 Å²	124	124.4 Å²	124.4	75%	0.752	77%	0.772	S	S	*	*				86.9	127.7	69.8	166.3	0	0	0	0	113.8
979	L	27.1	Very low	34.7	Very low	169 Å²	169	129.4 Å²	129.4	89%	0.885	77%	0.773	S	S	*	*			trans	74.8	145.3	168.5	-75.1	164.7	0	0	0	120.4
980	A	30.5	Very low	34.9	Very low	84 Å²	84	128.8 Å²	128.8	69%	0.694	77%	0.767	S	S	*	*			trans	-120.7	-166.9	169.3	0	0	0	0	0	107
981	P	52.9	Low	35.1	Very low	113 Å²	113	132.6 Å²	132.6	73%	0.734	76%	0.762	S	S	*	*			cis	-135.9	-175.9	-2.8	43.6	-26.9	0	0	0	114.3
982	N	30.2	Very low	35.3	Very low	154 Å²	154	135.6 Å²	135.6	82%	0.824	77%	0.77	S	S	*	*			trans	178.5	156.5	149.8	-97.4	-41.1	0	0	0	110
983	S	31.1	Very low	35.3	Very low	90 Å²	90	126.8 Å²	126.8	63%	0.629	76%	0.758	S	S	*	*			cis	-173.7	166	-44	44.2	0	0	0	0	109.3
984	L	31.5	Very low	35.4	Very low	167 Å²	167	129.8 Å²	129.8	87%	0.874	76%	0.757	S	S	*	*			trans	96	129.5	168.5	-58	171.1	0	0	0	119.7
985	S	32.3	Very low	34.6	Very low	100 Å²	100	132 Å²	132	70%	0.699	76%	0.757	S	S	*	*			trans	-112.2	-169.3	170.3	-48.5	0	0	0	0	109.5
986	P	55.1	Low	34.5	Very low	132 Å²	132	133.5 Å²	133.5	86%	0.857	76%	0.759	S	S	*	*				-137.3	160.6	94	37.1	-25.7	0	0	0	115.1
987	S	34.8	Very low	34.5	Very low	100 Å²	100	127.9 Å²	127.9	70%	0.699	76%	0.763	S	S	*	*			trans	-102.2	-168.9	178.2	-49.2	0	0	0	0	111.3
988	P	57.3	Low	34.5	Very low	108 Å²	108	125 Å²	125	70%	0.701	77%	0.77	S	S	*	*				-144.7	149.4	85.4	36.6	-20.4	0	0	0	116.5
989	Q	34.6	Very low	34.6	Very low	187 Å²	187	127.6 Å²	127.6	87%	0.874	78%	0.779	S	S	*	*			trans	48.8	143.3	140.6	-60.8	160.9	-9.7	0	0	120
990	G	31.9	Very low	34.9	Very low	71 Å²	71	123.1 Å²	123.1	73%	0.732	77%	0.773	S	S	*	*			cis	168.7	168	3.6	0	0	0	0	0	107.1
991	H	33.6	Very low	36	Very low	164 Å²	164	129.1 Å²	129.1	76%	0.759	81%	0.805	S	S	*	*			cis	-163.4	142.8	10.9	-124.8	-93.6	0	0	0	109
992	L	32.1	Very low	35.1	Very low	159 Å²	159	129.9 Å²	129.9	83%	0.832	81%	0.809	S	S	*	*			trans	55.2	152.4	157.5	-61	162	0	0	0	118.8
993	G	31.3	Very low	35.4	Very low	68 Å²	68	128.6 Å²	128.6	70%	0.701	81%	0.808	S	S	*	*			cis	162.5	159.1	1.5	0	0	0	0	0	107.1
994	L	32	Very low	35.6	Very low	132 Å²	132	130.8 Å²	130.8	69%	0.691	82%	0.818	S	S	*	*			cis	-161.5	158.4	5.7	-147.3	77.1	0	0	0	108.5
995	E	30.4	Very low	35.9	Very low	163 Å²	163	128.6 Å²	128.6	76%	0.762	81%	0.814	S	S	*	*			trans	57.4	150.3	151.3	-81.3	165.8	-167.4	0	0	121.9
996	E	29.5	Very low	36.1	Very low	182 Å²	182	130.4 Å²	130.4	85%	0.85	82%	0.822	S	S	*	*			cis	-160.7	156.6	-18.3	-150.5	-166.2	-179.6	0	0	111.6
997	G	29.3	Very low	34.8	Very low	79 Å²	79	130.3 Å²	130.3	81%	0.814	82%	0.819	S	S	*	*			trans	82.3	152.3	149.2	0	0	0	0	0	120.1
998	G	29	Very low	34.8	Very low	78 Å²	78	132.5 Å²	132.5	80%	0.804	83%	0.828	S	S	*	*			trans	149.3	9.3	156.3	0	0	0	0	0	124.5
999	L	30.4	Very low	33.1	Very low	180 Å²	180	134.4 Å²	134.4	94%	0.942	84%	0.838	S	S	*	*			trans	39.2	91	158.6	-65.6	170.4	0	0	0	121.4
1000	G	34.2	Very low	33	Very low	74 Å²	74	130 Å²	130	76%	0.763	84%	0.835	S	S	*	*			trans	68.9	-177.2	137	0	0	0	0	0	121
1001	P	51.8	Low	33.1	Very low	210 Å²	210	135.4 Å²	135.4	100%	1.364	84%	0.844	S	S	*	*			cis	-88.7	0	-7.8	37.5	-34.1	0	0	0	114.2

Retrieved 1,001 of 1,001 residues in 1138.7 ms (Link to these results)

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