A0A075B6D7_MOUSE 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 A0A075B6D7, Species MOUSE (Mus musculus, Mouse), Gene Inpp5j, Length 899 aa.

						>A0A075B6D7_MOUSE|A0A075B6D7|Inpp5j
MEGQTRSGSARPGTRTGLGPLPGTHGVLQAEIPSKKVNSSFQLPAKNSGPASSEPRLTLAPVGPRAAVSPPSERPRLVLSSPRPVLAPLSIAGEQKRPPPPHSSNRAAKSVGQLVVSAAAASKPPPVASVSILAPKSLGQLVISASAMPRPSPAPLGSVLTPTSRDQKQLSPTSVGPKPALATSGLSLALASQEQPPQSPSSPSPVPSPVLSPSQEGHLAAASVTSTPASERQLPARQKDTAVPRPTPPADKCLYTPERAAGPATSPPRAQAFSDPRLSPSFRARPEAPRHSPEDPVLPPPPQTLPLDVSPGLPESGTRSPGLLSPTFRPGIPSSQTVPPPLPKPPRSPSRSPSRSPNRSPCLPPAPEVALPKPVTQAAGSGRCPSPNLQAQESPAAATTTTSPTSSWSAQPTCKSDPGFRITVVTWNVGTAMPPDDVTSLLHLGSGHDNDGADMIAIGLQEVNSMINKRLKDALFTDQWSELFMDALGPFNFVLVSTVRMQGVILLLFAKYYHLPFLRDVQTDCTRTGLGGYWGNKGGVSVRLAAFGHMLCFLNCHLPAHMDKAEQRKDNFQTILSLQQFQGPGAHGILDHDLVFWFGDLNFRIESYDLHFVKFAIDSNQLHQLWEKDQLNMAKNTWPILKGFQEGPLNFAPTFKFDVGTNKYDTSAKKRKPAWTDRILWKVKAPSGGPSPSGRESHRLQVTQHSYRSHMEYTVSDHKPVAAQFILQFAFRDDVPLVRLEVADEWARPEQAVVRYRVETVFARSSWDWIGLYRVGFRHCKDYVAYVWAKHEEVDGNIYQVTFSEESLPKGHGDFILGYYSHHHSILIGVTEPFQPLTTSATLSWPGAAYWGVPKLSPGTTSTVTISKASPGPSSGMMGGTDRYSHLGGHPLGIKFSSF
					

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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	31.9	Very low	29.7	Very low	223 Å²	223	150.2 Å²	150.2	100%	1.099	83%	0.831	S	S	*	*				0	110.2	0	-57.1	177	-172.3	0	0	111.3
2	E	28.3	Very low	30.9	Very low	181 Å²	181	148.2 Å²	148.2	85%	0.846	83%	0.83	S	S	*	*			cis	177.5	167.4	-39	-102.7	152.8	116	0	0	108.9
3	G	29.5	Very low	30.8	Very low	70 Å²	70	141.5 Å²	141.5	72%	0.722	82%	0.815	S	S	*	*			trans	80.3	95.7	176.5	0	0	0	0	0	113.9
4	Q	32.1	Very low	31	Very low	183 Å²	183	140.1 Å²	140.1	86%	0.855	81%	0.811	S	S	*	*				61.6	94	67.3	-65.5	-163.2	-4.7	0	0	116.7
5	T	31.1	Very low	31.2	Very low	119 Å²	119	146.3 Å²	146.3	73%	0.73	82%	0.815	S	S	*	*				37.1	123.3	126.9	60.3	0	0	0	0	121.1
6	R	28.3	Very low	31.3	Very low	243 Å²	243	145.6 Å²	145.6	92%	0.917	82%	0.816	S	S	*	*				-179.5	167.2	106.4	-101.9	-178.5	174.9	-172.7	-1.3	116
7	S	29.6	Very low	31.3	Very low	117 Å²	117	141 Å²	141	82%	0.818	81%	0.809	S	S	*	*			trans	-59.9	155.1	-176.4	51.4	0	0	0	0	120.4
8	G	27.2	Very low	31.4	Very low	70 Å²	70	142.9 Å²	142.9	72%	0.722	82%	0.815	S	S	*	*			trans	159.9	131.7	159.5	0	0	0	0	0	110.5
9	S	27.9	Very low	31.2	Very low	125 Å²	125	138.8 Å²	138.8	87%	0.874	81%	0.808	S	S	*	*			cis	69.8	121.1	13.6	-160.7	0	0	0	0	115.9
10	A	28.2	Very low	32.3	Very low	78 Å²	78	136.4 Å²	136.4	65%	0.645	80%	0.797	S	S	*	*			cis	-168.6	162.5	-11.7	0	0	0	0	0	112.8
11	R	32	Very low	32.3	Very low	243 Å²	243	135.9 Å²	135.9	92%	0.917	79%	0.79	S	S	*	*			trans	69.7	170.1	152.7	-83.3	176.7	-175.8	-172.1	2.8	117.3
12	P	44.2	Very low	32.9	Very low	126 Å²	126	131 Å²	131	82%	0.818	78%	0.775	S	S	*	*			cis	-118.8	-165	11.1	43.4	-29.8	0	0	0	116.4
13	G	30.6	Very low	33.1	Very low	62 Å²	62	125.5 Å²	125.5	64%	0.639	77%	0.767	S	S	*	*			trans	-91.2	-151.7	-177.7	0	0	0	0	0	114.9
14	T	33.3	Very low	33.3	Very low	122 Å²	122	128.2 Å²	128.2	75%	0.748	77%	0.77	S	S	*	*			cis	-166.3	144.6	28.3	-15.7	0	0	0	0	114.9
15	R	33.8	Very low	33.3	Very low	233 Å²	233	128.2 Å²	128.2	88%	0.879	77%	0.769	S	S	*	*			trans	54.8	160.7	137.2	-89	175.3	175	-179	-2.7	121.2
16	T	32.6	Very low	33.2	Very low	134 Å²	134	126 Å²	126	82%	0.822	77%	0.77	S	S	*	*			cis	-128.2	171.2	4.2	34.8	0	0	0	0	110.4
17	G	31.4	Very low	33.2	Very low	68 Å²	68	120.9 Å²	120.9	70%	0.701	77%	0.765	S	S	*	*			cis	147.2	154.5	8.1	0	0	0	0	0	108
18	L	32.8	Very low	33.2	Very low	175 Å²	175	122 Å²	122	92%	0.916	76%	0.762	S	S	*	*			cis	-140.4	-160	7.8	-66.1	169.5	0	0	0	108
19	G	28	Very low	33.1	Very low	66 Å²	66	127.1 Å²	127.1	68%	0.68	77%	0.767	S	S	*	*			cis	93.4	154.7	5.4	0	0	0	0	0	115
20	P	52.6	Low	33.1	Very low	90 Å²	90	126.1 Å²	126.1	58%	0.584	77%	0.766	S	S	*	*			cis	-147.9	176	-12.3	42.7	-24.2	0	0	0	117.3	R277	P20-R277 PolarHBondContact O-NH1 3.24Å
21	L	32.9	Very low	33	Very low	126 Å²	126	131.6 Å²	131.6	66%	0.66	78%	0.778	S	S	*	*				170.3	159.6	124	-90.5	176.8	0	0	0	114.9
22	P	44.3	Very low	33.1	Very low	119 Å²	119	127.3 Å²	127.3	77%	0.773	77%	0.772	S	S	*	*			trans	-131.7	169.7	-179.9	43.2	-29.2	0	0	0	118.1
23	G	32.8	Very low	33.1	Very low	67 Å²	67	127.3 Å²	127.3	69%	0.691	77%	0.772	S	S	*	*			trans	91.1	169.7	147.8	0	0	0	0	0	120.2
24	T	33.1	Very low	33	Very low	126 Å²	126	129.1 Å²	129.1	77%	0.773	78%	0.775	S	S	*	*			cis	-168.7	161.6	-20.3	-6.4	0	0	0	0	114.3
25	H	31.6	Very low	32.9	Very low	183 Å²	183	132.8 Å²	132.8	85%	0.847	78%	0.781	S	S	*	*			trans	65.7	113.4	152.6	-73.6	-66.6	0	0	0	125.4
26	G	29.4	Very low	32.5	Very low	72 Å²	72	131.5 Å²	131.5	74%	0.742	78%	0.781	S	S	*	*			trans	84.3	162.9	131.8	0	0	0	0	0	121.1
27	V	28.7	Very low	32.3	Very low	136 Å²	136	130.9 Å²	130.9	82%	0.824	78%	0.777	S	S	*	*			cis	-170.1	164.2	-13	115.7	0	0	0	0	111.2
28	L	29.1	Very low	32	Very low	142 Å²	142	134.2 Å²	134.2	74%	0.743	78%	0.779	S	S	*	*			trans	84.5	130	162.2	-88.9	164.6	0	0	0	124.8
29	Q	26.6	Very low	31.7	Very low	177 Å²	177	131 Å²	131	83%	0.827	77%	0.771	S	S	*	*			trans	43.5	134.6	140.3	-89.3	173.6	-9.3	0	0	126.4
30	A	27.7	Very low	31.7	Very low	104 Å²	104	132.7 Å²	132.7	86%	0.86	77%	0.772	S	S	*	*			trans	-164	159.8	134.2	0	0	0	0	0	111.6
31	E	25.9	Very low	30.4	Very low	193 Å²	193	137.9 Å²	137.9	90%	0.902	79%	0.786	S	S	*	*			trans	-114.9	177.2	-173.8	-67.1	-177	105.8	0	0	115
32	I	34.4	Very low	30	Very low	152 Å²	152	140.7 Å²	140.7	78%	0.779	80%	0.796	S	S	*	*			trans	-99.7	145.5	172.5	-41.4	172.6	0	0	0	109.8
33	P	42.8	Very low	29.2	Very low	126 Å²	126	142.7 Å²	142.7	82%	0.818	80%	0.799	S	S	*	*			trans	-135	165.3	132.4	36.7	-26.4	0	0	0	114.2
34	S	29	Very low	29.7	Very low	101 Å²	101	144.8 Å²	144.8	71%	0.706	80%	0.801	S	S	*	*			trans	-119.4	159.8	-170.2	-26.7	0	0	0	0	113.8
35	K	31.7	Very low	29.3	Very low	199 Å²	199	143 Å²	143	87%	0.865	80%	0.798	S	S	*	*				153.2	160.4	127.6	-87.9	177.7	174.6	172.6	0	115.6
36	K	25.7	Very low	29.2	Very low	205 Å²	205	143 Å²	143	89%	0.891	80%	0.796	S	S	*	*			trans	76.5	153.6	165.6	-65.2	179.8	-179.6	179.2	0	117.6
37	V	26.9	Very low	29.1	Very low	121 Å²	121	146.2 Å²	146.2	73%	0.733	80%	0.796	S	S	*	*			cis	-174.3	147.5	-47.4	129.9	0	0	0	0	108.8
38	N	26.1	Very low	29.1	Very low	138 Å²	138	145 Å²	145	74%	0.738	79%	0.794	S	S	*	*			trans	8.3	145.8	163	-49.7	-8.3	0	0	0	119.9
39	S	27.1	Very low	29	Very low	107 Å²	107	141.3 Å²	141.3	75%	0.748	79%	0.79	S	S	*	*				174.2	161.4	70.6	42.7	0	0	0	0	116.4
40	S	26.3	Very low	29.6	Very low	102 Å²	102	139.5 Å²	139.5	71%	0.713	79%	0.793	S	S	*	*			trans	56.6	121.6	145.6	53.6	0	0	0	0	125
41	F	25.6	Very low	29.6	Very low	199 Å²	199	138.8 Å²	138.8	87%	0.873	79%	0.788	S	S	*	*			trans	-0.4	141	130.9	-78.5	-101.9	0	0	0	120
42	Q	25.1	Very low	29.7	Very low	186 Å²	186	135.4 Å²	135.4	87%	0.869	79%	0.786	S	S	*	*				-171.8	167.3	105.5	-101.8	-177.1	15.5	0	0	114.9
43	L	27.2	Very low	29.4	Very low	161 Å²	161	133.3 Å²	133.3	84%	0.843	78%	0.784	S	S	*	*			trans	-97.7	-169	169.8	-75.9	165.8	0	0	0	108.9
44	P	43.3	Very low	28.9	Very low	110 Å²	110	135.1 Å²	135.1	71%	0.714	78%	0.782	S	S	*	*			cis	-144.2	-173.5	5.6	45.1	-26.1	0	0	0	117.6
45	A	26	Very low	29.4	Very low	88 Å²	88	136.8 Å²	136.8	73%	0.727	79%	0.79	S	S	*	*			trans	70.4	157.8	148	0	0	0	0	0	118.7
46	K	28.5	Very low	29.2	Very low	183 Å²	183	137.6 Å²	137.6	80%	0.796	79%	0.788	S	S	*	*			cis	-156.9	163.7	-8.2	-126.4	171.9	-176.9	178	0	110.5
47	N	28.2	Very low	29.2	Very low	141 Å²	141	136 Å²	136	75%	0.754	79%	0.788	S	S	*	*			trans	6.9	152.9	144.1	-61.2	20.2	0	0	0	120.2
48	S	28	Very low	29.2	Very low	110 Å²	110	135.1 Å²	135.1	77%	0.769	78%	0.783	S	S	*	*			cis	-173.2	169.4	-2.7	42.6	0	0	0	0	109.9
49	G	27.8	Very low	29.3	Very low	64 Å²	64	136.9 Å²	136.9	66%	0.66	79%	0.792	S	S	*	*			trans	-83.3	-178.1	172.3	0	0	0	0	0	114.8
50	P	38	Very low	29.4	Very low	139 Å²	139	136 Å²	136	90%	0.903	79%	0.791	S	S	*	*			trans	-133.8	-173.1	130.4	38.8	-28.1	0	0	0	113.1
51	A	28.1	Very low	30.8	Very low	89 Å²	89	136.8 Å²	136.8	74%	0.736	79%	0.794	S	S	*	*			trans	-153.1	176.6	-166	0	0	0	0	0	114.7
52	S	28.7	Very low	31.1	Very low	123 Å²	123	134.7 Å²	134.7	86%	0.86	80%	0.797	S	S	*	*			trans	72.3	165.1	170.2	79.5	0	0	0	0	116.3
53	S	27.9	Very low	31.3	Very low	108 Å²	108	128.9 Å²	128.9	76%	0.755	79%	0.786	S	S	*	*			cis	-148.7	175	12.2	67.2	0	0	0	0	114.6
54	E	31.7	Very low	32.5	Very low	164 Å²	164	127.5 Å²	127.5	77%	0.766	79%	0.787	S	S	*	*			trans	-70.6	176.1	167.5	-53.7	179.7	132.7	0	0	113.3
55	P	38.5	Very low	31.8	Very low	135 Å²	135	134.1 Å²	134.1	88%	0.877	80%	0.798	S	S	*	*				-125.3	168.8	128	38.2	-32.5	0	0	0	114.3
56	R	29.1	Very low	31.9	Very low	217 Å²	217	134.2 Å²	134.2	82%	0.819	80%	0.799	S	S	*	*			trans	-138.3	141.4	-163.1	178.7	-169.4	-171.8	-164.4	7.4	111.9
57	L	25.6	Very low	32	Very low	170 Å²	170	130.5 Å²	130.5	89%	0.89	80%	0.802	S	S	*	*			trans	-141.4	172.7	168.8	-96	172.4	0	0	0	112.1
58	T	27.2	Very low	32.1	Very low	104 Å²	104	130.6 Å²	130.6	64%	0.638	81%	0.807	S	S	*	*			trans	-142.2	168.3	-147.7	49.1	0	0	0	0	116.9
59	L	27.9	Very low	32.4	Very low	175 Å²	175	130.4 Å²	130.4	92%	0.916	81%	0.806	S	S	*	*			trans	88.7	160	163.8	-65.2	160.1	0	0	0	119.3
60	A	28.4	Very low	33	Very low	89 Å²	89	133.1 Å²	133.1	74%	0.736	81%	0.812	S	S	*	*			trans	-149.6	-158.9	-169.5	0	0	0	0	0	108.4
61	P	57	Low	33	Very low	118 Å²	118	132.9 Å²	132.9	77%	0.766	81%	0.81	S	S	*	*			cis	-133	160	-20.7	39.7	-24.3	0	0	0	114.7
62	V	30	Very low	33.2	Very low	155 Å²	155	133.9 Å²	133.9	94%	0.939	81%	0.812	S	S	*	*			trans	-145.9	154.4	166	177.5	0	0	0	0	112.1
63	G	29.4	Very low	33.2	Very low	63 Å²	63	137.3 Å²	137.3	65%	0.649	81%	0.814	S	S	*	*			trans	-92.6	-159.8	-176.5	0	0	0	0	0	118
64	P	53.6	Low	33.5	Very low	132 Å²	132	140.8 Å²	140.8	86%	0.857	81%	0.811	S	S	*	*			trans	-112	154.3	-145.1	40.2	-36.7	0	0	0	118.5
65	R	27.8	Very low	33.8	Very low	250 Å²	250	139.3 Å²	139.3	94%	0.943	82%	0.816	S	S	*	*			trans	-169.4	164.9	158.9	-95.6	-177.2	175.3	-176.5	-2.2	106.5
66	A	28.9	Very low	33.4	Very low	90 Å²	90	141.8 Å²	141.8	74%	0.744	81%	0.807	S	S	*	*			cis	-167.3	172.3	-25.1	0	0	0	0	0	106.4
67	A	31.1	Very low	33.3	Very low	104 Å²	104	139.1 Å²	139.1	86%	0.86	81%	0.809	S	S	*	*			trans	-81.3	148.2	-171.9	0	0	0	0	0	115.3
68	V	29.8	Very low	33.4	Very low	143 Å²	143	136.3 Å²	136.3	87%	0.867	80%	0.798	S	S	*	*			trans	-141.4	140.6	164.8	-178.8	0	0	0	0	109.2
69	S	33.1	Very low	33.4	Very low	107 Å²	107	138.9 Å²	138.9	75%	0.748	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-102.3	151	-179.1	-50.9	0	0	0	0	112.6
70	P	40.7	Very low	33.4	Very low	120 Å²	120	135.5 Å²	135.5	78%	0.779	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-81.7	157.8	162.7	33.9	-32.6	0	0	0	112
71	P	39.3	Very low	33.5	Very low	134 Å²	134	137 Å²	137	87%	0.87	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-91.9	170.4	-167	36.9	-37.8	0	0	0	114.8
72	S	31.7	Very low	32.9	Very low	110 Å²	110	137.3 Å²	137.3	77%	0.769	81%	0.806	S	S	*	*			trans	-109.5	144.6	169	61.1	0	0	0	0	111.7
73	E	29.4	Very low	33	Very low	195 Å²	195	140.4 Å²	140.4	91%	0.911	80%	0.8	S	S	*	*				-158.6	177.7	126.9	-118.4	177.2	177.1	0	0	113.1
74	R	32.3	Very low	33.6	Very low	181 Å²	181	143.7 Å²	143.7	68%	0.683	81%	0.81	S	S	*	*			trans	-120.6	-179.7	-172.5	-64.5	178.9	168.8	146.9	-3.6	110.8
75	P	38.3	Very low	32.4	Very low	133 Å²	133	142.7 Å²	142.7	86%	0.864	80%	0.801	S	S	*	*				-121.4	174.9	89.1	-5.5	26.4	0	0	0	115.8
76	R	31.7	Very low	32.5	Very low	187 Å²	187	139.3 Å²	139.3	71%	0.706	80%	0.801	S	S	*	*			trans	-113.4	166.9	172.8	-83	175.9	160.8	176.4	-7.3	110
77	L	27	Very low	32.6	Very low	162 Å²	162	139 Å²	139	85%	0.848	80%	0.798	S	S	*	*				156	148.8	125.1	-79.7	164.6	0	0	0	109.8
78	V	26.9	Very low	32.9	Very low	111 Å²	111	139.9 Å²	139.9	67%	0.673	80%	0.795	S	S	*	*			cis	-169.8	166.1	-25.2	76.3	0	0	0	0	110.5
79	L	27.5	Very low	32.9	Very low	158 Å²	158	141.1 Å²	141.1	83%	0.827	80%	0.796	S	S	*	*			trans	67	154.6	166.4	-72.7	168.5	0	0	0	117
80	S	26.7	Very low	32.8	Very low	104 Å²	104	141.5 Å²	141.5	73%	0.727	80%	0.799	S	S	*	*			cis	-153.7	161.3	-4.4	40.4	0	0	0	0	111.7
81	S	31.4	Very low	32.3	Very low	119 Å²	119	143.5 Å²	143.5	83%	0.832	80%	0.801	S	S	*	*			trans	-129.1	140.4	170.9	-48.6	0	0	0	0	111.3
82	P	43.7	Very low	31.9	Very low	126 Å²	126	142.2 Å²	142.2	82%	0.818	80%	0.802	S	S	*	*			trans	-94.7	143.9	170	34.8	-30.6	0	0	0	112.6
83	R	32.3	Very low	31.8	Very low	220 Å²	220	140.5 Å²	140.5	83%	0.83	80%	0.801	S	S	*	*			trans	-85.1	165.5	161.4	-73.5	179.3	172.6	168.9	-4.6	110.1
84	P	41.6	Very low	31.9	Very low	131 Å²	131	138.7 Å²	138.7	85%	0.851	79%	0.793	S	S	*	*				-106.3	163.1	126.7	-15.6	32.3	0	0	0	113.1
85	V	29	Very low	32	Very low	112 Å²	112	136 Å²	136	68%	0.679	79%	0.788	S	S	*	*			trans	-133.3	137.3	174.7	169.9	0	0	0	0	107.6
86	L	30.1	Very low	31.7	Very low	179 Å²	179	138.5 Å²	138.5	94%	0.937	79%	0.786	S	S	*	*			trans	-171.6	157.8	140.3	-102	162.7	0	0	0	109.2
87	A	31	Very low	31.6	Very low	82 Å²	82	140.9 Å²	140.9	68%	0.678	79%	0.794	S	S	*	*			trans	-125.2	155.3	-169.6	0	0	0	0	0	111.9
88	P	37.7	Very low	32.6	Very low	123 Å²	123	138.4 Å²	138.4	80%	0.799	79%	0.788	S	S	*	*			trans	-75.1	148.9	167.6	32.5	-33.9	0	0	0	111.3
89	L	29.2	Very low	33.4	Very low	169 Å²	169	138.6 Å²	138.6	89%	0.885	79%	0.792	S	S	*	*			trans	-84.3	155.9	172.2	-78.2	160.6	0	0	0	111.3
90	S	30.3	Very low	34.3	Very low	116 Å²	116	136.6 Å²	136.6	81%	0.811	79%	0.788	S	S	*	*			trans	-152.1	146.8	171.2	-63.3	0	0	0	0	109.4
91	I	31.3	Very low	35.5	Very low	162 Å²	162	136.1 Å²	136.1	83%	0.831	78%	0.783	S	S	*	*			trans	-126.2	124.3	-173.5	-64.2	177.2	0	0	0	109.2
92	A	30.7	Very low	35.5	Very low	106 Å²	106	138.8 Å²	138.8	88%	0.876	78%	0.782	S	S	*	*			trans	41.8	126.6	166.3	0	0	0	0	0	118.9
93	G	30	Very low	34.8	Very low	74 Å²	74	137.2 Å²	137.2	76%	0.763	77%	0.773	S	S	*	*			cis	-175.4	-160.8	3.8	0	0	0	0	0	108.8
94	E	31.6	Very low	34.7	Very low	158 Å²	158	132 Å²	132	74%	0.738	77%	0.771	S	S	*	*			cis	-165.2	-168.7	-7.9	-126.4	-70.2	67.7	0	0	109.5
95	Q	33.6	Very low	34.1	Very low	125 Å²	125	132.3 Å²	132.3	58%	0.584	77%	0.765	S	S	*	*			trans	-21.8	143.9	170.4	-75.4	172.2	67.9	0	0	118.2
96	K	31.8	Very low	34.1	Very low	185 Å²	185	137.8 Å²	137.8	80%	0.804	77%	0.774	S	S	*	*			cis	-156.8	176	24.8	-130.9	153.8	-178.2	148.7	0	113.2
97	R	30.3	Very low	34.2	Very low	236 Å²	236	134.2 Å²	134.2	89%	0.891	77%	0.77	S	S	*	*			trans	-129.9	177.6	-176	-108.5	-168.8	-177.5	178.3	3	111.1
98	P	48.7	Very low	34.1	Very low	111 Å²	111	134.7 Å²	134.7	72%	0.721	77%	0.774	S	S	*	*			cis	-111.7	-122.6	-3.7	42.6	-26.5	0	0	0	110.1
99	P	44	Very low	33.7	Very low	115 Å²	115	138.6 Å²	138.6	75%	0.747	78%	0.778	S	S	*	*			cis	-118.8	172.8	-4.7	43	-29.3	0	0	0	116.1
100	P	46.2	Very low	33.6	Very low	116 Å²	116	135.5 Å²	135.5	75%	0.753	77%	0.771	S	S	*	*			trans	-125.6	-154.6	165.8	47.2	-34	0	0	0	110.6
101	P	51.3	Low	33.5	Very low	94 Å²	94	136.7 Å²	136.7	61%	0.61	77%	0.773	S	S	*	*			cis	-135.1	-179.7	-18.7	43.5	-27.9	0	0	0	115.6
102	H	31.8	Very low	33.2	Very low	175 Å²	175	132.6 Å²	132.6	81%	0.81	77%	0.771	S	S	*	*			trans	64.4	161.2	150.1	-61.7	-35.9	0	0	0	121
103	S	29.2	Very low	33	Very low	92 Å²	92	136.2 Å²	136.2	64%	0.643	77%	0.77	S	S	*	*			cis	-172.8	170.5	-33	66.4	0	0	0	0	111.3
104	S	29	Very low	32.8	Very low	111 Å²	111	140 Å²	140	78%	0.776	77%	0.771	S	S	*	*			trans	75.2	155.5	155.4	93.8	0	0	0	0	117.4
105	N	29.8	Very low	32.4	Very low	137 Å²	137	138.6 Å²	138.6	73%	0.733	77%	0.773	S	S	*	*			cis	-162.1	161.6	-34.6	-144	-19.2	0	0	0	111.6
106	R	28.2	Very low	32	Very low	228 Å²	228	138.6 Å²	138.6	86%	0.86	78%	0.781	S	S	*	*			trans	41.2	125.5	155.1	-78.2	173.4	174.6	-178.4	-2.4	121.7
107	A	32.8	Very low	31.7	Very low	103 Å²	103	135.2 Å²	135.2	85%	0.851	78%	0.781	S	S	*	*			trans	-93.2	163.9	153.4	0	0	0	0	0	112.3
108	A	28.9	Very low	31.5	Very low	92 Å²	92	128.3 Å²	128.3	76%	0.76	77%	0.774	S	S	*	*			trans	-152.8	126.8	171.7	0	0	0	0	0	114.4
109	K	30.1	Very low	30.4	Very low	205 Å²	205	127.9 Å²	127.9	89%	0.891	78%	0.78	S	S	*	*			trans	38.8	130.4	147	-54.5	-179.3	179.3	-176.9	0	120.4
110	S	26.8	Very low	29.5	Very low	105 Å²	105	126.8 Å²	126.8	73%	0.734	78%	0.781	S	S	*	*				163.1	116.6	93.2	-164.7	0	0	0	0	114.8
111	V	27.7	Very low	28.6	Very low	141 Å²	141	125.9 Å²	125.9	86%	0.855	78%	0.784	S	S	*	*				37.8	128.7	128.2	-172.6	0	0	0	0	121.4
112	G	25.1	Very low	27.4	Very low	76 Å²	76	127.2 Å²	127.2	78%	0.784	80%	0.795	S	S	*	*			trans	-166.3	134.8	155.8	0	0	0	0	0	111.9
113	Q	26.8	Very low	27.1	Very low	182 Å²	182	128.3 Å²	128.3	85%	0.85	80%	0.798	S	S	*	*			trans	-117.2	167.9	176.3	-69	-179.3	-76.7	0	0	111.2
114	L	25.3	Very low	28	Very low	153 Å²	153	129.2 Å²	129.2	80%	0.801	80%	0.801	S	S	*	*				130.3	160.4	120.7	-156.5	67.2	0	0	0	115.7
115	V	24	Very low	28.6	Very low	129 Å²	129	129.3 Å²	129.3	78%	0.782	80%	0.799	S	S	*	*			trans	97	147.4	162.7	-167.6	0	0	0	0	116.4
116	V	25	Very low	29.4	Very low	124 Å²	124	128 Å²	128	75%	0.752	80%	0.798	S	S	*	*			trans	-149.9	163.4	-156.9	-178.5	0	0	0	0	109.1
117	S	25.2	Very low	29.5	Very low	114 Å²	114	124.3 Å²	124.3	80%	0.797	80%	0.801	S	S	*	*			trans	99	153.5	163.1	-46.3	0	0	0	0	116.7
118	A	25.1	Very low	29.2	Very low	91 Å²	91	123.8 Å²	123.8	75%	0.752	80%	0.796	S	S	*	*			cis	-173.2	172.4	-24.8	0	0	0	0	0	111.1
119	A	25.7	Very low	29.2	Very low	102 Å²	102	124.7 Å²	124.7	84%	0.843	80%	0.797	S	S	*	*			trans	70.4	167.2	157.5	0	0	0	0	0	119.4
120	A	26	Very low	29	Very low	92 Å²	92	121.2 Å²	121.2	76%	0.76	79%	0.792	S	S	*	*			cis	-173	169.3	-40.5	0	0	0	0	0	111.2
121	A	26.9	Very low	28.9	Very low	98 Å²	98	120.9 Å²	120.9	81%	0.81	79%	0.79	S	S	*	*			trans	71.8	156.5	167.4	0	0	0	0	0	117.5
122	S	25.5	Very low	28.8	Very low	122 Å²	122	122 Å²	122	85%	0.853	79%	0.79	S	S	*	*			cis	-155.2	165.7	-4.2	17.4	0	0	0	0	113.9
123	K	26	Very low	28.8	Very low	198 Å²	198	126 Å²	126	86%	0.861	79%	0.793	S	S	*	*			trans	-84.4	-173.6	172.1	-100.7	179.7	178.4	179.2	0	112.3
124	P	48.1	Very low	29	Very low	110 Å²	110	121.5 Å²	121.5	71%	0.714	79%	0.786	S	S	*	*			cis	-126.1	-131.7	-2.3	33.5	-8	0	0	0	110.1
125	P	42.2	Very low	29.6	Very low	114 Å²	114	120.4 Å²	120.4	74%	0.74	79%	0.788	S	S	*	*			cis	-125.2	-107	-23.3	27.8	-0.2	0	0	0	116
126	P	47.2	Very low	30	Very low	110 Å²	110	124 Å²	124	71%	0.714	79%	0.793	S	S	*	*			trans	-144.7	163.7	-141	43.3	-20.7	0	0	0	121.3
127	V	28.9	Very low	30.2	Very low	150 Å²	150	124 Å²	124	91%	0.909	80%	0.799	S	S	*	*			trans	-154	153	143.6	175	0	0	0	0	108.7
128	A	27.6	Very low	30.4	Very low	91 Å²	91	126.9 Å²	126.9	75%	0.752	80%	0.804	S	S	*	*			trans	-146.2	148	174.8	0	0	0	0	0	114.2
129	S	27.4	Very low	30.5	Very low	111 Å²	111	126 Å²	126	78%	0.776	80%	0.803	S	S	*	*			trans	176	143.6	157.8	-77.7	0	0	0	0	108.4
130	V	25.8	Very low	30.5	Very low	132 Å²	132	130 Å²	130	80%	0.8	81%	0.805	S	S	*	*			cis	86.7	125.7	31.5	175.2	0	0	0	0	112.7
131	S	26.2	Very low	30.6	Very low	99 Å²	99	132.8 Å²	132.8	69%	0.692	81%	0.806	S	S	*	*			cis	-171.3	-171.6	-12.3	-94.8	0	0	0	0	110.7
132	I	25.5	Very low	30.7	Very low	165 Å²	165	133.8 Å²	133.8	85%	0.846	80%	0.802	S	S	*	*			trans	104	161.8	154.2	-57.1	-176.3	0	0	0	118.6
133	L	24.4	Very low	30.8	Very low	160 Å²	160	135.1 Å²	135.1	84%	0.838	80%	0.798	S	S	*	*			trans	-83.9	170.4	-150.9	-84.8	68.5	0	0	0	119.2
134	A	31.8	Very low	30.9	Very low	87 Å²	87	130.6 Å²	130.6	72%	0.719	79%	0.791	S	S	*	*			trans	-40.1	170.6	161.6	0	0	0	0	0	118.8
135	P	37.2	Very low	30	Very low	129 Å²	129	129.2 Å²	129.2	84%	0.838	79%	0.789	S	S	*	*				-145.6	-176.6	99.7	40.9	-26.8	0	0	0	116.2
136	K	32.9	Very low	29.3	Very low	206 Å²	206	129.8 Å²	129.8	90%	0.896	80%	0.796	S	S	*	*			trans	-107.1	151.7	165.9	-60.7	176.2	179.1	177.2	0	110.4
137	S	28.4	Very low	28.3	Very low	123 Å²	123	129.4 Å²	129.4	86%	0.86	80%	0.802	S	S	*	*			trans	-164	172.6	145.2	-154.2	0	0	0	0	113.9
138	L	30.7	Very low	28.4	Very low	175 Å²	175	129.8 Å²	129.8	92%	0.916	80%	0.796	S	S	*	*			trans	-103.2	169.4	-177.1	-99.4	64.7	0	0	0	113
139	G	26.2	Very low	29	Very low	71 Å²	71	131.2 Å²	131.2	73%	0.732	80%	0.798	S	S	*	*			trans	148.8	88	130.1	0	0	0	0	0	120.7
140	Q	26.1	Very low	29.3	Very low	187 Å²	187	136 Å²	136	87%	0.874	80%	0.798	S	S	*	*			trans	-167.9	144.6	153.9	-106.3	177	-2.9	0	0	108.7
141	L	26.9	Very low	30.2	Very low	151 Å²	151	135.6 Å²	135.6	79%	0.791	80%	0.798	S	S	*	*			cis	80.8	135.5	-0.1	-73.7	73.1	0	0	0	117.8
142	V	29.3	Very low	30.6	Very low	118 Å²	118	135.6 Å²	135.6	72%	0.715	80%	0.799	S	S	*	*			cis	-167.7	171.8	-12.2	72.5	0	0	0	0	112.5
143	I	29.1	Very low	31.7	Very low	150 Å²	150	134 Å²	134	77%	0.769	80%	0.799	S	S	*	*			trans	76	141.3	161.8	-87.4	170.8	0	0	0	116
144	S	27.4	Very low	31.9	Very low	103 Å²	103	130.6 Å²	130.6	72%	0.72	79%	0.794	S	S	*	*			cis	-164.6	177.5	1.3	-107.1	0	0	0	0	109.4
145	A	29.9	Very low	32.8	Very low	81 Å²	81	131.6 Å²	131.6	67%	0.669	79%	0.793	S	S	*	*			cis	-177	-166.9	-28	0	0	0	0	0	109.5
146	S	26.6	Very low	32.4	Very low	127 Å²	127	133.8 Å²	133.8	89%	0.888	80%	0.797	S	S	*	*			trans	73	138.8	-178.4	81	0	0	0	0	115.8
147	A	26.9	Very low	32.2	Very low	102 Å²	102	127.3 Å²	127.3	84%	0.843	79%	0.788	S	S	*	*			cis	-141.2	166.8	-4.7	0	0	0	0	0	112.2
148	M	29.6	Very low	32.3	Very low	157 Å²	157	126.6 Å²	126.6	77%	0.773	78%	0.784	S	S	*	*			trans	-114.6	155.5	176.6	-117.9	-82.6	-166.8	0	0	108.6
149	P	41.1	Very low	32.1	Very low	122 Å²	122	124.3 Å²	124.3	79%	0.792	78%	0.777	S	S	*	*				-150.6	169.8	89.9	38.5	-20.1	0	0	0	117.1
150	R	34.1	Very low	32.3	Very low	211 Å²	211	128.2 Å²	128.2	80%	0.796	78%	0.78	S	S	*	*			trans	-102.7	155.7	162.3	-116	-176.8	-174	-172.2	3	108.4
151	P	43.1	Very low	32.5	Very low	123 Å²	123	125 Å²	125	80%	0.799	77%	0.774	S	S	*	*				-153.1	-177.1	78.1	41.3	-21.7	0	0	0	116.6
152	S	35.6	Very low	33.7	Very low	100 Å²	100	123.3 Å²	123.3	70%	0.699	77%	0.771	S	S	*	*			trans	-91.1	165.4	163.9	-33.6	0	0	0	0	110.4
153	P	48.1	Very low	34	Very low	131 Å²	131	123.7 Å²	123.7	85%	0.851	77%	0.774	S	S	*	*				-152.1	-154.7	73.1	41.8	-19.8	0	0	0	115.4
154	A	28.2	Very low	34.3	Very low	89 Å²	89	121.4 Å²	121.4	74%	0.736	77%	0.772	S	S	*	*			trans	-95.1	-150.5	-177.6	0	0	0	0	0	111.7
155	P	51.9	Low	34.6	Very low	108 Å²	108	126.7 Å²	126.7	70%	0.701	78%	0.776	S	S	*	*			cis	-148.2	-168.3	14	48.3	-27.6	0	0	0	118.3
156	L	28.8	Very low	34.9	Very low	174 Å²	174	127.2 Å²	127.2	91%	0.911	77%	0.767	S	S	*	*			trans	61.4	157.7	171.1	-83.9	90.2	0	0	0	117.3
157	G	29.1	Very low	35.2	Very low	70 Å²	70	127.6 Å²	127.6	72%	0.722	76%	0.755	S	S	*	*			cis	166.5	159.2	-3	0	0	0	0	0	108.6
158	S	29.2	Very low	35.4	Very low	109 Å²	109	130.2 Å²	130.2	76%	0.762	75%	0.747	S	S	*	*			cis	-168.2	-166.4	8.6	55.4	0	0	0	0	109.9
159	V	27.8	Very low	35.5	Very low	127 Å²	127	129.8 Å²	129.8	77%	0.77	74%	0.743	S	S	*	*			trans	75.3	127.2	169.8	178.4	0	0	0	0	116
160	L	29.3	Very low	34.9	Very low	153 Å²	153	131.4 Å²	131.4	80%	0.801	75%	0.745	S	S	*	*			cis	-154.5	175.1	-8.2	-115.8	177.3	0	0	0	111.9
161	T	30.6	Very low	34.8	Very low	120 Å²	120	126.4 Å²	126.4	74%	0.736	74%	0.742	S	S	*	*			trans	-127.5	-172.2	-176	53.2	0	0	0	0	112
162	P	52.3	Low	35.2	Very low	114 Å²	114	126 Å²	126	74%	0.74	74%	0.739	S	S	*	*			cis	-117.9	-142.7	-11.9	26.4	-0.4	0	0	0	111.2
163	T	34.8	Very low	35	Very low	127 Å²	127	127.2 Å²	127.2	78%	0.779	74%	0.743	S	S	*	*			cis	-162.6	-178.4	4.9	-12.4	0	0	0	0	106.9
164	S	36.8	Very low	34.2	Very low	102 Å²	102	126.2 Å²	126.2	71%	0.713	74%	0.739	S	S	*	*			cis	-157.8	-150.8	-1.1	47.3	0	0	0	0	107.6
165	R	33.7	Very low	34.4	Very low	213 Å²	213	128.7 Å²	128.7	80%	0.804	74%	0.744	S	S	*	*			cis	-164.4	-169.7	4.2	-141.1	-165.2	139.2	107.8	13.9	112.5
166	D	36.2	Very low	33.4	Very low	93 Å²	93	126.8 Å²	126.8	50%	0.497	74%	0.744	S	S	.	*			trans	-31.3	164.1	164.2	-82.9	-52.6	0	0	0	120.6
167	Q	32.7	Very low	34.4	Very low	135 Å²	135	124.4 Å²	124.4	63%	0.631	74%	0.739	S	S	*	*			cis	-172.5	161.9	-20.1	-146.1	-173.1	103.7	0	0	112
168	K	31.2	Very low	34.6	Very low	156 Å²	156	130.7 Å²	130.7	68%	0.678	75%	0.747	S	S	*	*			trans	63.8	131.2	157.5	-82.7	177.7	177.3	166.3	0	120.7
169	Q	30.6	Very low	35.6	Very low	148 Å²	148	131.4 Å²	131.4	69%	0.692	75%	0.749	S	S	*	*				81.5	111	67.1	-155.5	-164.2	-7.3	0	0	112
170	L	29	Very low	36	Very low	157 Å²	157	129.8 Å²	129.8	82%	0.822	75%	0.749	S	S	*	*				-166.8	169.8	78.7	-88.8	167.3	0	0	0	113.2
171	S	31.3	Very low	36	Very low	105 Å²	105	131.2 Å²	131.2	73%	0.734	76%	0.757	S	S	*	*			trans	-140.2	161.9	164.3	66.8	0	0	0	0	109.7
172	P	52.2	Low	36.3	Very low	115 Å²	115	129.6 Å²	129.6	75%	0.747	76%	0.755	S	S	*	*				-150.4	-166.4	89.6	38	-15.6	0	0	0	112.9
173	T	30.6	Very low	35.2	Very low	126 Å²	126	131.3 Å²	131.3	77%	0.773	76%	0.764	S	S	*	*			cis	-160.2	139.9	11.3	-19.8	0	0	0	0	111.4
174	S	32	Very low	35	Very low	110 Å²	110	131.4 Å²	131.4	77%	0.769	77%	0.77	S	S	*	*			trans	46.2	162	146.5	-124.4	0	0	0	0	122.5
175	V	32.8	Very low	34.6	Very low	140 Å²	140	129.6 Å²	129.6	85%	0.848	77%	0.767	S	S	*	*			cis	-147.2	155.7	10.7	-162.1	0	0	0	0	110.2
176	G	31	Very low	34.4	Very low	68 Å²	68	127.5 Å²	127.5	70%	0.701	77%	0.771	S	S	*	*			trans	118.9	126.4	144.5	0	0	0	0	0	119
177	P	50.1	Low	34.1	Very low	124 Å²	124	127.6 Å²	127.6	81%	0.805	78%	0.779	S	S	*	*			trans	-124.7	169.8	-177.6	43.5	-32.7	0	0	0	116.9
178	K	32.6	Very low	33.9	Very low	202 Å²	202	129.3 Å²	129.3	88%	0.878	79%	0.792	S	S	*	*			trans	20.4	163.2	141.6	-80.5	-176.4	178.3	-179.7	0	122.3
179	P	50	Low	33.9	Very low	125 Å²	125	126.1 Å²	126.1	81%	0.812	79%	0.794	S	S	*	*			cis	-132.9	-150.8	-12.9	38.1	-16.7	0	0	0	112.4
180	A	37	Very low	33.8	Very low	93 Å²	93	126.9 Å²	126.9	77%	0.769	80%	0.802	S	S	*	*			trans	-106.3	155	176.3	0	0	0	0	0	113.6
181	L	29.5	Very low	33.8	Very low	183 Å²	183	123.2 Å²	123.2	96%	0.958	79%	0.794	S	S	*	*			trans	-165.3	170.9	159.4	-112.8	162.8	0	0	0	110.5
182	A	35.2	Very low	33.7	Very low	86 Å²	86	122.8 Å²	122.8	71%	0.711	79%	0.792	S	S	*	*			trans	-134.1	152.4	-174.2	0	0	0	0	0	112.8
183	T	29.3	Very low	32.7	Very low	149 Å²	149	125.2 Å²	125.2	91%	0.914	79%	0.793	S	S	*	*			trans	-152.3	166.1	174.9	23.2	0	0	0	0	111.4
184	S	31.5	Very low	32.6	Very low	130 Å²	130	127.5 Å²	127.5	91%	0.909	80%	0.795	S	S	*	*			trans	-129.9	160	-166.1	-50.6	0	0	0	0	114.4
185	G	28.1	Very low	32.3	Very low	64 Å²	64	130.8 Å²	130.8	66%	0.66	80%	0.798	S	S	*	*			trans	170.4	134.4	169	0	0	0	0	0	108.4
186	L	29.4	Very low	33.4	Very low	168 Å²	168	129.1 Å²	129.1	88%	0.88	79%	0.79	S	S	*	*			cis	58.3	129.7	35.2	-53.4	173.7	0	0	0	112.8
187	S	30.1	Very low	34.3	Very low	95 Å²	95	131 Å²	131	66%	0.664	79%	0.79	S	S	*	*			cis	-170.4	157	-11	-102.7	0	0	0	0	109.1
188	L	27.6	Very low	33.3	Very low	172 Å²	172	134.2 Å²	134.2	90%	0.901	79%	0.794	S	S	*	*			trans	162.3	157.8	133.1	-92.6	147.8	0	0	0	113.3
189	A	31.7	Very low	33.1	Very low	89 Å²	89	129.5 Å²	129.5	74%	0.736	79%	0.787	S	S	*	*			trans	-146.3	163.2	174.4	0	0	0	0	0	109.5
190	L	28.4	Very low	33.1	Very low	164 Å²	164	128.8 Å²	128.8	86%	0.859	78%	0.782	S	S	*	*			trans	179.8	124.8	162.8	-94.6	155.5	0	0	0	106.1
191	A	29.7	Very low	32.8	Very low	79 Å²	79	129.8 Å²	129.8	65%	0.653	78%	0.784	S	S	*	*				77.6	149.3	83.6	0	0	0	0	0	114.5
192	S	29.9	Very low	33.1	Very low	97 Å²	97	126.5 Å²	126.5	68%	0.678	78%	0.776	S	S	*	*			cis	-172.9	159.5	-15.9	-94.5	0	0	0	0	110.8
193	Q	30.9	Very low	34	Very low	165 Å²	165	128.5 Å²	128.5	77%	0.771	78%	0.781	S	S	*	*			trans	63.1	168.5	156.2	-73.1	169	-69.9	0	0	117.8
194	E	27.4	Very low	34.5	Very low	175 Å²	175	126.7 Å²	126.7	82%	0.818	78%	0.775	S	S	*	*			cis	-145	-151.5	-1.9	-137	164.3	155.5	0	0	113.7
195	Q	26.2	Very low	35.8	Very low	179 Å²	179	126 Å²	126	84%	0.836	77%	0.768	S	S	*	*			trans	-123	-144.8	-157.4	-151.6	-174.2	-6.4	0	0	116.9
196	P	55.1	Low	36.3	Very low	104 Å²	104	129 Å²	129	68%	0.675	77%	0.772	S	S	*	*			trans	-103.4	-159.5	-136.6	46.4	-32.2	0	0	0	114.9
197	P	50.5	Low	37.6	Very low	109 Å²	109	127 Å²	127	71%	0.708	77%	0.769	S	S	*	*			cis	-147.8	-177.5	4.3	45.2	-24.3	0	0	0	120.6
198	Q	28.6	Very low	37.9	Very low	191 Å²	191	127.7 Å²	127.7	89%	0.893	78%	0.775	S	S	*	*			trans	76.7	173.1	145.6	-85.4	-178.3	16.5	0	0	124.7
199	S	29.2	Very low	39.3	Very low	103 Å²	103	124.9 Å²	124.9	72%	0.72	77%	0.767	S	S	*	*			trans	-108.9	-178.7	-166.6	62.2	0	0	0	0	112.1
200	P	49.3	Very low	39.4	Very low	109 Å²	109	126.9 Å²	126.9	71%	0.708	77%	0.77	S	S	*	*			cis	-160.4	-167.6	44.4	44.9	-20.3	0	0	0	120.4
201	S	31.2	Very low	39.4	Very low	115 Å²	115	126.2 Å²	126.2	80%	0.804	77%	0.766	S	S	*	*			trans	87.4	162.1	141	71.1	0	0	0	0	124.6
202	S	35.1	Very low	39.8	Very low	114 Å²	114	127.3 Å²	127.3	80%	0.797	77%	0.769	S	S	*	*			trans	-112.1	178.5	-165.2	-36.6	0	0	0	0	114.2
203	P	54.8	Low	41.1	Very low	127 Å²	127	128.6 Å²	128.6	83%	0.825	78%	0.775	S	S	*	*				-154.9	-175	99.2	39.8	-19.5	0	0	0	117.8
204	S	38.8	Very low	41.2	Very low	111 Å²	111	124.7 Å²	124.7	78%	0.776	77%	0.766	S	S	*	*			trans	-100.6	-167.5	-178.3	-34.9	0	0	0	0	113.1
205	P	59.6	Low	41.7	Very low	117 Å²	117	124.9 Å²	124.9	76%	0.76	77%	0.767	S	S	*	*			cis	-152.2	166.6	41.5	42.2	-18.9	0	0	0	122
206	V	38.5	Very low	42	Very low	125 Å²	125	125.1 Å²	125.1	76%	0.758	77%	0.768	S	S	*	*			trans	12.9	144.4	132.9	-154	0	0	0	0	119.6
207	P	57.3	Low	40.8	Very low	126 Å²	126	123.2 Å²	123.2	82%	0.818	77%	0.768	S	S	*	*				-153.1	-169.3	50.6	44.3	-20.4	0	0	0	121.5
208	S	34.8	Very low	39.9	Very low	111 Å²	111	125.9 Å²	125.9	78%	0.776	77%	0.77	S	S	*	*			trans	-95.6	-160.3	-171.6	-27.3	0	0	0	0	114.6
209	P	57	Low	39.9	Very low	113 Å²	113	124 Å²	124	73%	0.734	77%	0.765	S	S	*	*			cis	-148	-164.8	19.6	45.6	-23.3	0	0	0	119.1
210	V	33.8	Very low	40	Very low	131 Å²	131	123.6 Å²	123.6	79%	0.794	77%	0.768	S	S	*	*			trans	77	146.3	153.1	154.5	0	0	0	0	118.2
211	L	29.7	Very low	39	Very low	149 Å²	149	123.6 Å²	123.6	78%	0.78	78%	0.778	S	S	*	*			cis	-154.4	-162.2	-5	-125.5	179.1	0	0	0	113.5
212	S	36.8	Very low	39.2	Very low	103 Å²	103	123.1 Å²	123.1	72%	0.72	78%	0.781	S	S	*	*			trans	-152.6	-165.6	170	-41.7	0	0	0	0	110.1
213	P	57.4	Low	38.9	Very low	123 Å²	123	123.6 Å²	123.6	80%	0.799	78%	0.784	S	S	*	*			cis	-132.3	-139.8	23	39.8	-14.6	0	0	0	112.7
214	S	34.6	Very low	38	Very low	84 Å²	84	124.1 Å²	124.1	59%	0.587	78%	0.784	S	S	*	*			cis	-168.6	138.4	-1.1	39	0	0	0	0	113.6
215	Q	37.8	Very low	37.5	Very low	178 Å²	178	124.5 Å²	124.5	83%	0.832	78%	0.782	S	S	*	*			trans	57.7	161.7	141.8	-60.3	175.9	-85.5	0	0	121.5
216	E	31.9	Very low	36.1	Very low	184 Å²	184	123.9 Å²	123.9	86%	0.86	78%	0.781	S	S	*	*			cis	-130.3	169.5	4.6	-67.7	-178.1	119.6	0	0	111
217	G	29.7	Very low	35.8	Very low	65 Å²	65	124.2 Å²	124.2	67%	0.67	78%	0.783	S	S	*	*			cis	-178.3	151.8	-4.3	0	0	0	0	0	115.5
218	H	30.9	Very low	35.5	Very low	164 Å²	164	123.9 Å²	123.9	76%	0.759	78%	0.781	S	S	*	*			trans	51.4	118.5	154.1	-70.6	-85.1	0	0	0	126.3
219	L	29.9	Very low	35.3	Very low	151 Å²	151	122.7 Å²	122.7	79%	0.791	78%	0.778	S	S	*	*			trans	51.9	129	130.5	-54.6	173.3	0	0	0	120.6
220	A	31.6	Very low	34.2	Very low	95 Å²	95	122.7 Å²	122.7	79%	0.785	78%	0.781	S	S	*	*			cis	85.9	111.8	22.8	0	0	0	0	0	117.5
221	A	28.6	Very low	33.9	Very low	110 Å²	110	125 Å²	125	91%	0.909	78%	0.783	S	S	*	*			trans	-159.8	154.7	158	0	0	0	0	0	109.8
222	A	33.6	Very low	33.9	Very low	105 Å²	105	128.1 Å²	128.1	87%	0.868	78%	0.784	S	S	*	*			trans	-149.5	147.6	179.2	0	0	0	0	0	112.3
223	S	28.6	Very low	33.4	Very low	123 Å²	123	131.6 Å²	131.6	86%	0.86	79%	0.789	S	S	*	*			trans	-158.1	159	169.5	52.3	0	0	0	0	111.4
224	V	36.9	Very low	32.3	Very low	138 Å²	138	133 Å²	133	84%	0.836	79%	0.789	S	S	*	*			trans	-112.3	169.5	-170.1	-151.4	0	0	0	0	109.9
225	T	27.8	Very low	33.1	Very low	119 Å²	119	135 Å²	135	73%	0.73	80%	0.8	S	S	*	*				154.3	135.4	113.8	-46.7	0	0	0	0	113.5
226	S	29.8	Very low	32.9	Very low	105 Å²	105	131 Å²	131	73%	0.734	80%	0.798	S	S	*	*			trans	50.1	133.5	150.7	67.3	0	0	0	0	125.4
227	T	32.5	Very low	32.8	Very low	131 Å²	131	134 Å²	134	80%	0.804	80%	0.801	S	S	*	*			trans	-55.1	172	144.4	30.5	0	0	0	0	113.4
228	P	50.9	Low	32.8	Very low	119 Å²	119	138.6 Å²	138.6	77%	0.773	81%	0.805	S	S	*	*			cis	-156.7	-172.1	41.1	45.5	-22.7	0	0	0	120.5
229	A	32	Very low	33	Very low	87 Å²	87	138.6 Å²	138.6	72%	0.719	80%	0.803	S	S	*	*			trans	86.9	123.8	143.2	0	0	0	0	0	123.4
230	S	33.5	Very low	33.1	Very low	113 Å²	113	136.6 Å²	136.6	79%	0.79	79%	0.793	S	S	*	*			trans	32.5	136.5	136.9	-51.2	0	0	0	0	124.1
231	E	28	Very low	33.1	Very low	179 Å²	179	137.7 Å²	137.7	84%	0.836	79%	0.79	S	S	*	*				-175.9	-172.9	104.5	-90.9	-106.7	96.1	0	0	112.6
232	R	29.8	Very low	33.2	Very low	214 Å²	214	137 Å²	137	81%	0.808	79%	0.785	S	S	*	*			trans	-82.2	177.5	-173.2	-60.4	178	175.2	-173.7	-0.9	112
233	Q	26.5	Very low	33.4	Very low	177 Å²	177	138.1 Å²	138.1	83%	0.827	78%	0.78	S	S	*	*			cis	-175.2	168.6	45.9	-166.2	150.9	-67.2	0	0	113.8
234	L	34.4	Very low	35.1	Very low	152 Å²	152	138 Å²	138	80%	0.796	78%	0.776	S	S	*	*			trans	-79.8	159.3	172.1	-80.3	161.6	0	0	0	113.1
235	P	49.5	Very low	35.1	Very low	126 Å²	126	142 Å²	142	82%	0.818	78%	0.776	S	S	*	*				-143.9	-178.5	104.7	40	-26.5	0	0	0	114.7
236	A	34.2	Very low	36.3	Very low	94 Å²	94	142 Å²	142	78%	0.777	78%	0.778	S	S	*	*			trans	-144.1	150.2	177.6	0	0	0	0	0	112.7
237	R	29.3	Very low	36.8	Very low	246 Å²	246	142.3 Å²	142.3	93%	0.928	78%	0.776	S	S	*	*			trans	-162.5	-175.2	157.4	-120.8	178.7	-179.2	-154.7	-2	113.9
238	Q	29.9	Very low	38.3	Very low	162 Å²	162	141.7 Å²	141.7	76%	0.757	78%	0.775	S	S	*	*			trans	-127	176.7	-155.1	-48.6	163.4	-75.7	0	0	114.1
239	K	35.2	Very low	38.7	Very low	164 Å²	164	142.1 Å²	142.1	71%	0.713	78%	0.777	S	S	*	*			trans	75.9	156.7	153.5	-76.4	-172.6	145	-104.5	0	117.3
240	D	32.6	Very low	39	Very low	110 Å²	110	142.5 Å²	142.5	59%	0.588	78%	0.781	S	S	*	*			cis	-157.8	169.9	1	-113.5	-15.6	0	0	0	107.9
241	T	32.2	Very low	39.1	Very low	117 Å²	117	143.6 Å²	143.6	72%	0.718	78%	0.778	S	S	*	*			cis	-171.7	142.1	-33.9	-103.3	0	0	0	0	108.6
242	A	29.5	Very low	39.1	Very low	97 Å²	97	143.3 Å²	143.3	80%	0.802	77%	0.773	S	S	*	*			trans	-159.8	-176.4	177.1	0	0	0	0	0	113.3
243	V	38.3	Very low	39.1	Very low	127 Å²	127	138 Å²	138	77%	0.77	77%	0.768	S	S	*	*				-177	138.8	-86.8	144.4	0	0	0	0	109.8
244	P	63.4	Low	39.2	Very low	120 Å²	120	136.1 Å²	136.1	78%	0.779	76%	0.763	S	S	*	*			cis	-133.4	-155.3	-24.5	42.3	-23.7	0	0	0	113.5
245	R	38.4	Very low	38.9	Very low	222 Å²	222	139 Å²	139	84%	0.838	77%	0.765	S	S	*	*			trans	-110.6	-169.5	-179.8	-114.3	-167.6	-151.2	177.9	8.1	110.5
246	P	52.5	Low	37.8	Very low	119 Å²	119	138.6 Å²	138.6	77%	0.773	76%	0.76	S	S	*	*			cis	-140.6	-179.3	17.1	36.9	-13.3	0	0	0	119.4
247	T	39.8	Very low	38.6	Very low	113 Å²	113	139.8 Å²	139.8	69%	0.693	76%	0.76	S	S	*	*			trans	-76.2	-179.3	169.8	46.7	0	0	0	0	113.6
248	P	64.8	Low	38.5	Very low	118 Å²	118	134.6 Å²	134.6	77%	0.766	75%	0.746	S	S	*	*			cis	-132.6	-146.6	17.3	43.7	-21.6	0	0	0	112.5
249	P	58.5	Low	38.7	Very low	128 Å²	128	136.9 Å²	136.9	83%	0.831	75%	0.748	S	S	*	*			cis	-129.8	-116.7	-7	39.7	-16.7	0	0	0	116.1
250	A	39.3	Very low	38.4	Very low	95 Å²	95	133.1 Å²	133.1	79%	0.785	75%	0.747	S	S	*	*			trans	-154.3	-175	-164.5	0	0	0	0	0	115.4
251	D	34.7	Very low	38.4	Very low	136 Å²	136	132.9 Å²	132.9	73%	0.727	76%	0.761	S	S	*	*			trans	93	179.7	171.7	-105.7	-51.3	0	0	0	120.3
252	K	29.4	Very low	38.2	Very low	172 Å²	172	130.6 Å²	130.6	75%	0.748	76%	0.761	S	S	*	*			trans	-112.3	166.9	-140.8	-60.4	158.6	-169.3	102	0	119.3
253	C	28.7	Very low	39.7	Very low	104 Å²	104	132 Å²	132	70%	0.703	76%	0.762	S	S	*	*			trans	92.4	127.5	137.9	-84.5	0	0	0	0	123.4
254	L	29.5	Very low	39.5	Very low	137 Å²	137	130.1 Å²	130.1	72%	0.717	76%	0.76	S	S	*	*			trans	49.8	126.4	136.3	-54.6	168.4	0	0	0	119.9
255	Y	27.5	Very low	37.9	Very low	212 Å²	212	131.6 Å²	131.6	83%	0.831	77%	0.766	S	S	*	*				-169.3	178.1	74	-110.4	-82.1	0	0	0	114.8
256	T	25.4	Very low	37.5	Very low	118 Å²	118	126.4 Å²	126.4	72%	0.724	76%	0.764	S	S	*	*			trans	-90.8	-171.7	177.8	49.4	0	0	0	0	113
257	P	52.6	Low	38.3	Very low	118 Å²	118	125.9 Å²	125.9	77%	0.766	76%	0.761	S	S	*	*			cis	-124.5	-151.8	2.6	34.6	-9.7	0	0	0	112.8
258	E	27.5	Very low	39.3	Very low	138 Å²	138	126.7 Å²	126.7	65%	0.645	77%	0.768	S	S	*	*			cis	-141.7	162.6	5.9	-112.2	-146.1	166.6	0	0	109.8
259	R	32.6	Very low	37.9	Very low	209 Å²	209	132.8 Å²	132.8	79%	0.789	78%	0.776	S	S	*	*				60.3	142.1	87.1	-120.6	176.4	173	179	-2.5	115
260	A	30	Very low	36.7	Very low	85 Å²	85	130.1 Å²	130.1	70%	0.702	77%	0.765	S	S	*	*			cis	-159.5	163.2	10.2	0	0	0	0	0	114.8
261	A	31.3	Very low	36.3	Very low	105 Å²	105	135 Å²	135	87%	0.868	77%	0.771	S	S	*	*			trans	53.2	156.5	141	0	0	0	0	0	125.2
262	G	29.2	Very low	36.2	Very low	70 Å²	70	131.7 Å²	131.7	72%	0.722	76%	0.763	S	S	*	*			trans	-105	-145.3	164.6	0	0	0	0	0	112
263	P	59.9	Low	36.2	Very low	126 Å²	126	132.9 Å²	132.9	82%	0.818	77%	0.769	S	S	*	*			cis	-142.7	-177.8	2.7	44.5	-25.4	0	0	0	117.4
264	A	35.6	Very low	36.3	Very low	88 Å²	88	133.4 Å²	133.4	73%	0.727	77%	0.773	S	S	*	*			trans	38.1	136.3	146.9	0	0	0	0	0	125.5
265	T	28.5	Very low	36.5	Very low	150 Å²	150	131.5 Å²	131.5	92%	0.92	76%	0.764	S	S	*	*			trans	-176.1	-173.6	131.2	21.7	0	0	0	0	113
266	S	30.8	Very low	36.8	Very low	114 Å²	114	127.1 Å²	127.1	80%	0.797	76%	0.761	S	S	*	*			trans	-125.8	-133.2	-149.8	45	0	0	0	0	119.9
267	P	68.3	Low	37.1	Very low	108 Å²	108	127.8 Å²	127.8	70%	0.701	75%	0.751	S	S	*	*				-117.8	-175.6	-120.6	42.2	-25.2	0	0	0	116.3
268	P	60.9	Low	35.9	Very low	130 Å²	130	128.1 Å²	128.1	84%	0.844	75%	0.745	S	S	*	*				-149.5	-125	96.2	39.7	-18.3	0	0	0	117.3
269	R	35.3	Very low	36.1	Very low	245 Å²	245	126.5 Å²	126.5	93%	0.925	75%	0.749	S	S	*	*			trans	-154.6	174.1	-141	-124.2	-174.9	174.7	-170.1	-0.6	112.5
270	A	33.8	Very low	37	Very low	73 Å²	73	121.6 Å²	121.6	60%	0.603	74%	0.744	S	S	*	*			cis	-165.3	178.3	2.5	0	0	0	0	0	113.1
271	Q	32.1	Very low	37	Very low	196 Å²	196	122.2 Å²	122.2	92%	0.916	74%	0.744	S	S	*	*			trans	70.2	151	158.9	-66.2	-178	0	0	0	120.1
272	A	32.4	Very low	36.8	Very low	67 Å²	67	126.8 Å²	126.8	55%	0.554	74%	0.744	S	S	*	*			cis	-169.4	162.7	-24.1	0	0	0	0	0	112.8
273	F	28	Very low	36.9	Very low	198 Å²	198	134.5 Å²	134.5	87%	0.868	75%	0.752	S	S	*	*			trans	68.7	142.9	167.6	-52.6	-66.4	0	0	0	118.3
274	S	32.2	Very low	35.3	Very low	114 Å²	114	133.3 Å²	133.3	80%	0.797	75%	0.753	S	S	*	*			cis	-154.1	162.5	-7.4	-105.8	0	0	0	0	113.4
275	D	32.8	Very low	34.9	Very low	97 Å²	97	140.6 Å²	140.6	52%	0.519	76%	0.761	S	S	.	*			trans	-70.1	165.6	-178.7	-124.7	-38.6	0	0	0	113.6	R277	D275-R277 HydrophobicContact CB-CG 4.42Å; D275-R277 VanDerWaalsContact CG-CG 3.46Å; D275-R277 WeakPolarHBondContact OD1-CG 3.28Å; D275-R277 PolarHBondContact OD1-N 3.06Å; D275-R277 IonicContact OD1-NE 3.97Å; D275-R277 WeakPolarHBondContact OD2-CG 3.09Å; D275-R277 IonicContact OD2-CZ 3.3Å; D275-R277 VanDerWaalsContact OD2-CZ 3.3Å; D275-R277 IonicContact OD2-NE 2.73Å; D275-R277 PolarHBondContact OD2-NE 3.2Å; D275-R277 IonicContact OD2-NH2 2.93Å; D275-R277 PolarHBondContact OD2-NH2 3.03Å
276	P	34.4	Very low	35.9	Very low	121 Å²	121	138 Å²	138	79%	0.786	75%	0.747	S	S	*	*				-144.3	126.4	62.2	36	-15.1	0	0	0	119
277	R	30.4	Very low	35.6	Very low	132 Å²	132	141.5 Å²	141.5	50%	0.498	75%	0.75	S	S	.	*				35.4	145	113.9	-55.7	-159.5	-172.7	-149.7	-5.9	120.8	P20 D275	P20-R277 PolarHBondContact O-NH1 3.24Å; D275-R277 HydrophobicContact CB-CG 4.42Å; D275-R277 VanDerWaalsContact CG-CG 3.46Å; D275-R277 WeakPolarHBondContact OD1-CG 3.28Å; D275-R277 PolarHBondContact OD1-N 3.06Å; D275-R277 IonicContact OD1-NE 3.97Å; D275-R277 WeakPolarHBondContact OD2-CG 3.09Å; D275-R277 IonicContact OD2-CZ 3.3Å; D275-R277 VanDerWaalsContact OD2-CZ 3.3Å; D275-R277 IonicContact OD2-NE 2.73Å; D275-R277 PolarHBondContact OD2-NE 3.2Å; D275-R277 IonicContact OD2-NH2 2.93Å; D275-R277 PolarHBondContact OD2-NH2 3.03Å
278	L	28.6	Very low	34	Very low	125 Å²	125	140.8 Å²	140.8	65%	0.654	75%	0.754	S	S	*	*			cis	-161.6	172.3	0.6	-119.3	172.6	0	0	0	111.4
279	S	31.9	Very low	32.8	Very low	103 Å²	103	141 Å²	141	72%	0.72	76%	0.756	S	S	*	*			trans	-124	-150.6	166.3	-36.2	0	0	0	0	108.7
280	P	49.8	Very low	32.5	Very low	106 Å²	106	140.3 Å²	140.3	69%	0.688	75%	0.753	S	S	*	*				-124.6	172	-55.9	36.2	-22.6	0	0	0	113.6
281	S	30.2	Very low	32.1	Very low	99 Å²	99	146.1 Å²	146.1	69%	0.692	77%	0.767	S	S	*	*			trans	70.2	176.9	155.6	80	0	0	0	0	117.4
282	F	28.2	Very low	32	Very low	200 Å²	200	141.3 Å²	141.3	88%	0.877	76%	0.755	S	S	*	*			cis	-153.8	-160.4	8.1	-138.7	-19.1	0	0	0	115.3
283	R	31.7	Very low	32.6	Very low	232 Å²	232	143.7 Å²	143.7	88%	0.875	77%	0.765	S	S	*	*			trans	-61.2	144.5	-179.6	179.9	-165.5	-151.2	173.7	8.5	115.9
284	A	25.5	Very low	32.5	Very low	102 Å²	102	143.2 Å²	143.2	84%	0.843	77%	0.766	S	S	*	*			trans	-146.1	152.6	166.3	0	0	0	0	0	116
285	R	27.2	Very low	32.4	Very low	241 Å²	241	145 Å²	145	91%	0.909	77%	0.766	S	S	*	*			trans	-153.2	158.4	160.9	-143.5	-157.7	175.7	-169.3	0.4	103.3
286	P	49.3	Very low	33	Very low	94 Å²	94	145.5 Å²	145.5	61%	0.61	78%	0.775	S	S	*	*			cis	-136.6	-154.4	5.3	42.7	-22	0	0	0	113.9
287	E	24	Very low	32.6	Very low	188 Å²	188	145.4 Å²	145.4	88%	0.879	77%	0.772	S	S	*	*			trans	77.6	158.3	154.1	-80.9	175.3	-178.6	0	0	121.3
288	A	34.9	Very low	32.6	Very low	94 Å²	94	146.5 Å²	146.5	78%	0.777	79%	0.787	S	S	*	*			trans	-155.1	134.2	177.3	0	0	0	0	0	109.5
289	P	36.8	Very low	32.9	Very low	135 Å²	135	146 Å²	146	88%	0.877	79%	0.79	S	S	*	*			trans	-109.1	173.9	169.9	35.7	-26.2	0	0	0	113.1
290	R	28.4	Very low	33.2	Very low	229 Å²	229	146.4 Å²	146.4	86%	0.864	79%	0.791	S	S	*	*			trans	-103.3	166.9	-175.4	-58.6	174.3	176.9	170.7	-3.7	112.5
291	H	25.3	Very low	32.8	Very low	195 Å²	195	146.8 Å²	146.8	90%	0.903	79%	0.793	S	S	*	*			trans	-138	145.1	141.6	-100.7	-87.3	0	0	0	110.7
292	S	29.5	Very low	33.4	Very low	95 Å²	95	146.9 Å²	146.9	66%	0.664	79%	0.792	S	S	*	*			trans	-115.9	173.2	166.2	-50.6	0	0	0	0	108.3
293	P	45.4	Very low	33.5	Very low	118 Å²	118	145.8 Å²	145.8	77%	0.766	79%	0.789	S	S	*	*				-129.4	-164.7	76.8	37.5	-21	0	0	0	110.5
294	E	26.6	Very low	33.3	Very low	188 Å²	188	140 Å²	140	88%	0.879	78%	0.78	S	S	*	*			cis	-127.1	-149.3	6	-60.2	179.4	87.1	0	0	111.6
295	D	30.5	Very low	33.5	Very low	150 Å²	150	143 Å²	143	80%	0.802	78%	0.781	S	S	*	*			trans	-151.1	-176.8	-174.2	-130.2	-30.6	0	0	0	107.7
296	P	44.3	Very low	34	Very low	109 Å²	109	136.5 Å²	136.5	71%	0.708	77%	0.77	S	S	*	*			cis	-153	-176.1	41.5	34.7	-7.6	0	0	0	119.8
297	V	26.5	Very low	33.2	Very low	118 Å²	118	140.5 Å²	140.5	72%	0.715	79%	0.785	S	S	*	*			trans	94.7	84.6	154.7	-159.9	0	0	0	0	120.2
298	L	29.3	Very low	33.3	Very low	156 Å²	156	138.8 Å²	138.8	82%	0.817	78%	0.782	S	S	*	*				37.2	154.2	109.6	-60.5	174.2	0	0	0	122
299	P	35.5	Very low	33.1	Very low	113 Å²	113	140.7 Å²	140.7	73%	0.734	78%	0.784	S	S	*	*			cis	-137.3	-135	-30.4	43.7	-22.3	0	0	0	112.8
300	P	37.7	Very low	32.7	Very low	113 Å²	113	139.5 Å²	139.5	73%	0.734	78%	0.779	S	S	*	*			trans	-130.7	-141.3	-138.1	35.8	-7.6	0	0	0	114.7
301	P	43.2	Very low	33.6	Very low	113 Å²	113	134.8 Å²	134.8	73%	0.734	78%	0.778	S	S	*	*				-108.8	-147.3	-80.1	37.2	-17.9	0	0	0	110.4
302	P	42.1	Very low	33.6	Very low	101 Å²	101	129 Å²	129	66%	0.656	77%	0.771	S	S	*	*			cis	-142	-179.2	-6.7	41.2	-20.4	0	0	0	119.1
303	Q	30	Very low	33.5	Very low	177 Å²	177	132.1 Å²	132.1	83%	0.827	78%	0.779	S	S	*	*			trans	89.3	173.6	138.4	-97.1	172.7	75.6	0	0	122.7
304	T	27.4	Very low	33.7	Very low	112 Å²	112	131.3 Å²	131.3	69%	0.687	77%	0.774	S	S	*	*			trans	-148.2	154.3	-147.2	49.1	0	0	0	0	111.1
305	L	28.9	Very low	33.8	Very low	163 Å²	163	131.2 Å²	131.2	85%	0.853	77%	0.774	S	S	*	*				162.4	153.6	128.5	-89.2	167.8	0	0	0	111.8
306	P	38.4	Very low	33.7	Very low	105 Å²	105	129.6 Å²	129.6	68%	0.682	77%	0.774	S	S	*	*			trans	-110.7	155.6	165.9	38.6	-29.4	0	0	0	113.3
307	L	31.6	Very low	32.9	Very low	179 Å²	179	128.1 Å²	128.1	94%	0.937	78%	0.779	S	S	*	*			trans	63.4	133.9	163.6	-66.8	167.9	0	0	0	118.2
308	D	27.6	Very low	33	Very low	151 Å²	151	128.9 Å²	128.9	81%	0.807	78%	0.784	S	S	*	*			trans	-126.6	149.8	171	-174.1	14.5	0	0	0	108.9
309	V	29.8	Very low	33	Very low	134 Å²	134	132.9 Å²	132.9	81%	0.812	79%	0.788	S	S	*	*			trans	153.7	125.8	161.9	156.2	0	0	0	0	108.5
310	S	29	Very low	32.8	Very low	110 Å²	110	133 Å²	133	77%	0.769	79%	0.792	S	S	*	*			trans	-167.4	166.8	174.8	-84.7	0	0	0	0	109.2
311	P	47.1	Very low	33.5	Very low	130 Å²	130	133.9 Å²	133.9	84%	0.844	80%	0.798	S	S	*	*			cis	-126.1	177	-19.2	35.1	-18.5	0	0	0	112.8
312	G	25.5	Very low	32.7	Very low	74 Å²	74	132.2 Å²	132.2	76%	0.763	80%	0.8	S	S	*	*			trans	-166	113.2	169.4	0	0	0	0	0	113.2
313	L	28.3	Very low	32.1	Very low	161 Å²	161	135.4 Å²	135.4	84%	0.843	81%	0.811	S	S	*	*			trans	-129.3	163.9	174.5	-99.8	84.6	0	0	0	108.2
314	P	49.2	Very low	32	Very low	101 Å²	101	134.9 Å²	134.9	66%	0.656	81%	0.813	S	S	*	*			cis	-138.6	-162.7	-16.2	34.3	-12.5	0	0	0	113.5
315	E	28.7	Very low	32.3	Very low	186 Å²	186	134.5 Å²	134.5	87%	0.869	82%	0.815	S	S	*	*			trans	96.6	174.3	139	-101.7	175.1	-136	0	0	122
316	S	27.9	Very low	32.8	Very low	115 Å²	115	133 Å²	133	80%	0.804	82%	0.815	S	S	*	*			trans	-105.9	157	-141.7	63.3	0	0	0	0	114.2
317	G	27.5	Very low	32.5	Very low	79 Å²	79	133.7 Å²	133.7	81%	0.814	82%	0.818	S	S	*	*			trans	-173.5	113.2	178.1	0	0	0	0	0	116.1
318	T	28.5	Very low	32.2	Very low	134 Å²	134	135.1 Å²	135.1	82%	0.822	82%	0.817	S	S	*	*			trans	-68.3	157.3	173.2	20.1	0	0	0	0	115.8
319	R	29	Very low	32.3	Very low	240 Å²	240	138.7 Å²	138.7	91%	0.906	82%	0.819	S	S	*	*			trans	80.4	130.9	153	-74.1	172.1	178.4	-177.8	-0.6	120.3
320	S	32.5	Very low	33	Very low	115 Å²	115	138.6 Å²	138.6	80%	0.804	82%	0.821	S	S	*	*			trans	-73.3	-176.5	154.8	-5.2	0	0	0	0	111.7
321	P	52	Low	32.8	Very low	132 Å²	132	136.8 Å²	136.8	86%	0.857	82%	0.82	S	S	*	*			cis	-128.4	-173.9	-3.5	40.6	-24.4	0	0	0	113.6
322	G	25.5	Very low	32	Very low	77 Å²	77	138.5 Å²	138.5	79%	0.794	82%	0.82	S	S	*	*			trans	-169.5	121.5	170.3	0	0	0	0	0	115
323	L	29.7	Very low	32.9	Very low	168 Å²	168	140.3 Å²	140.3	88%	0.88	82%	0.818	S	S	*	*			trans	-75.2	157.4	172.3	-70	152.3	0	0	0	111.5
324	L	27.8	Very low	33	Very low	167 Å²	167	138.2 Å²	138.2	87%	0.874	82%	0.817	S	S	*	*				175.1	145	106.7	-91.7	170	0	0	0	113
325	S	33.1	Very low	32.1	Very low	103 Å²	103	138.7 Å²	138.7	72%	0.72	82%	0.823	S	S	*	*			trans	-100.6	166.3	161.9	-50.4	0	0	0	0	109.8
326	P	40	Very low	32.6	Very low	133 Å²	133	139.3 Å²	139.3	86%	0.864	83%	0.826	S	S	*	*			trans	-130.8	152.3	134.2	36.5	-28.1	0	0	0	113.7
327	T	31.8	Very low	32.6	Very low	119 Å²	119	140.2 Å²	140.2	73%	0.73	83%	0.827	S	S	*	*			trans	-107.4	151	178.4	-46.4	0	0	0	0	109.4
328	F	25.1	Very low	33	Very low	209 Å²	209	142.5 Å²	142.5	92%	0.917	83%	0.825	S	S	*	*			trans	-171.9	163.9	132.5	-108	-74.2	0	0	0	112.2
329	R	30.8	Very low	33.4	Very low	225 Å²	225	141.3 Å²	141.3	85%	0.849	82%	0.819	S	S	*	*			trans	-121	-169.1	178.8	-52.5	176.8	169.1	178.5	-4.3	108.7
330	P	44.6	Very low	33.9	Very low	132 Å²	132	135.4 Å²	135.4	86%	0.857	81%	0.812	S	S	*	*			cis	-133	175.9	-12.5	39.4	-22.2	0	0	0	115.1
331	G	24.3	Very low	34.2	Very low	73 Å²	73	135.8 Å²	135.8	75%	0.753	81%	0.812	S	S	*	*			trans	-178.5	141.1	169.4	0	0	0	0	0	114.4
332	I	30.9	Very low	33.7	Very low	166 Å²	166	137.1 Å²	137.1	85%	0.851	81%	0.811	S	S	*	*			trans	-156.1	154.6	-166.5	-86.6	178.9	0	0	0	107.1
333	P	44.2	Very low	34.2	Very low	111 Å²	111	139.3 Å²	139.3	72%	0.721	81%	0.811	S	S	*	*			cis	-131.7	178.1	14.2	43.2	-28.2	0	0	0	117.4
334	S	29.8	Very low	34.4	Very low	117 Å²	117	140.6 Å²	140.6	82%	0.818	81%	0.81	S	S	*	*			trans	42	118.3	140.6	-164	0	0	0	0	122.9
335	S	29.8	Very low	34.9	Very low	112 Å²	112	138 Å²	138	78%	0.783	80%	0.803	S	S	*	*				-160.1	171.7	119.3	45.4	0	0	0	0	111.5
336	Q	40.4	Very low	35	Very low	199 Å²	199	138.3 Å²	138.3	93%	0.93	80%	0.802	S	S	*	*			trans	-63.6	136.2	-164.9	-62.7	165	-12.7	0	0	114.8
337	T	28.4	Very low	34.8	Very low	134 Å²	134	143.6 Å²	143.6	82%	0.822	81%	0.805	S	S	*	*			trans	-131.5	127.8	167.2	-53.4	0	0	0	0	110.5
338	V	35.9	Very low	35.1	Very low	126 Å²	126	143.3 Å²	143.3	76%	0.764	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-69	137.5	174.3	178.3	0	0	0	0	109.6
339	P	36.8	Very low	35.4	Very low	110 Å²	110	139.2 Å²	139.2	71%	0.714	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-61.1	135.7	177.9	24.7	-34.5	0	0	0	111.4
340	P	39.1	Very low	35.4	Very low	115 Å²	115	134 Å²	134	75%	0.747	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-69.4	149.8	179.8	29.3	-35	0	0	0	111.4
341	P	38.1	Very low	34.8	Very low	124 Å²	124	139.4 Å²	139.4	81%	0.805	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-66.5	144.9	177.4	28.4	-35	0	0	0	111.6
342	L	41.9	Very low	34.9	Very low	160 Å²	160	140.9 Å²	140.9	84%	0.838	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-48.8	139.1	-178.2	-73.1	163.9	0	0	0	113.2
343	P	34.9	Very low	35	Very low	123 Å²	123	139.2 Å²	139.2	80%	0.799	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-64.8	136.4	178.8	27.5	-34.2	0	0	0	110.9
344	K	35.7	Very low	34.3	Very low	195 Å²	195	139.1 Å²	139.1	85%	0.848	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-79.3	141.8	177.5	-66	164.8	-173.3	161.8	0	109.6
345	P	37.8	Very low	34.2	Very low	113 Å²	113	145.7 Å²	145.7	73%	0.734	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-62.7	144.9	179	25.8	-34.5	0	0	0	111.6
346	P	34.9	Very low	34.3	Very low	109 Å²	109	145.9 Å²	145.9	71%	0.708	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-66.6	150.9	176.7	28.8	-34.7	0	0	0	111.3
347	R	35.3	Very low	34	Very low	243 Å²	243	142.3 Å²	142.3	92%	0.917	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-81.3	126.4	175.7	-70.5	179.4	173.3	177.5	-3.6	110.6
348	S	38.6	Very low	34	Very low	113 Å²	113	143.8 Å²	143.8	79%	0.79	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-60	137.6	164.3	-47.8	0	0	0	0	110.5	S350	S348-S350 PolarHBondContact O-N 2.84Å
349	P	31.9	Very low	33.7	Very low	124 Å²	124	149.7 Å²	149.7	81%	0.805	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-73.2	118.4	-178.1	28.1	-33.8	0	0	0	111.7	R351	P349-R351 PolarHBondContact O-N 3.17Å
350	S	29.8	Very low	33.3	Very low	115 Å²	115	150 Å²	150	80%	0.804	82%	0.822	S	S	*	*			trans	-68.8	107.9	175.4	54.8	0	0	0	0	111.5	S348 S352	S348-S350 PolarHBondContact O-N 2.84Å; S350-S352 PolarHBondContact O-N 2.84Å
351	R	31.8	Very low	33.1	Very low	246 Å²	246	150.4 Å²	150.4	93%	0.928	83%	0.825	S	S	*	*			trans	-79.5	100.4	172.1	-88.3	-170.6	167.8	-137.3	-0.9	111.6	P349	P349-R351 PolarHBondContact O-N 3.17Å
352	S	28	Very low	32.4	Very low	103 Å²	103	150.7 Å²	150.7	72%	0.72	83%	0.829	S	S	*	*			trans	-76.3	136.9	155.6	-60.6	0	0	0	0	109.6	S350	S350-S352 PolarHBondContact O-N 2.84Å
353	P	32.3	Very low	31.8	Very low	132 Å²	132	151.3 Å²	151.3	86%	0.857	83%	0.832	S	S	*	*			trans	-81.7	127.6	179.6	31.2	-33.2	0	0	0	111.8
354	S	28.7	Very low	31.7	Very low	109 Å²	109	150.7 Å²	150.7	76%	0.762	83%	0.828	S	S	*	*			trans	-151.5	129.9	171.2	66.1	0	0	0	0	113.3
355	R	28.7	Very low	31.6	Very low	255 Å²	255	147.6 Å²	147.6	96%	0.962	83%	0.828	S	S	*	*			trans	65.2	136.1	173.3	-74.8	-173.4	164.9	-157.7	-4.5	118.3
356	S	31.7	Very low	31.1	Very low	116 Å²	116	146.8 Å²	146.8	81%	0.811	83%	0.83	S	S	*	*			trans	-100.5	159.9	170.4	43.7	0	0	0	0	111.6
357	P	34.8	Very low	31.1	Very low	123 Å²	123	147.7 Å²	147.7	80%	0.799	84%	0.837	S	S	*	*			trans	-121.5	142.3	160.6	36.3	-25.2	0	0	0	113
358	N	27.1	Very low	30.7	Very low	165 Å²	165	145.5 Å²	145.5	88%	0.882	84%	0.836	S	S	*	*			trans	-82.6	137.6	164.5	-75.2	-24.7	0	0	0	110.3
359	R	29	Very low	30.2	Very low	251 Å²	251	146.3 Å²	146.3	95%	0.947	84%	0.837	S	S	*	*			trans	-162.1	152.9	148	-113.4	173.8	-170.4	-145	0.5	112.1
360	S	29.4	Very low	30	Very low	115 Å²	115	145.1 Å²	145.1	80%	0.804	84%	0.837	S	S	*	*			trans	-99.5	167.2	-174.5	-53.1	0	0	0	0	111.7
361	P	34.7	Very low	30	Very low	124 Å²	124	145.7 Å²	145.7	81%	0.805	83%	0.83	S	S	*	*			trans	-93.8	168.7	-157.5	37.2	-37.2	0	0	0	115.6
362	C	24.3	Very low	30	Very low	130 Å²	130	140 Å²	140	88%	0.878	83%	0.825	S	S	*	*			trans	-118.6	156.2	165.8	-67.4	0	0	0	0	110.8
363	L	28.4	Very low	30.1	Very low	173 Å²	173	143.4 Å²	143.4	91%	0.906	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-99.2	151.6	-175.7	-71.7	160.5	0	0	0	112.6
364	P	32.4	Very low	30.3	Very low	111 Å²	111	142.1 Å²	142.1	72%	0.721	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-88.3	156.9	168.5	36.1	-33.8	0	0	0	112.7
365	P	33.6	Very low	30.2	Very low	130 Å²	130	144.1 Å²	144.1	84%	0.844	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-81.1	163.5	171.5	34.3	-35	0	0	0	112.9
366	A	27.5	Very low	30.3	Very low	95 Å²	95	137.5 Å²	137.5	79%	0.785	81%	0.814	S	S	*	*			trans	-104.9	155.8	-179.4	0	0	0	0	0	112.7
367	P	34.8	Very low	30.1	Very low	129 Å²	129	141 Å²	141	84%	0.838	82%	0.818	S	S	*	*			trans	-86.5	156.3	178.9	35.1	-35.3	0	0	0	113.6
368	E	26.2	Very low	29.8	Very low	196 Å²	196	139.3 Å²	139.3	92%	0.916	81%	0.814	S	S	*	*			trans	-97.4	162.7	-179.4	-168.5	168	-174.8	0	0	112.6
369	V	29.5	Very low	30	Very low	131 Å²	131	136.4 Å²	136.4	79%	0.794	81%	0.813	S	S	*	*			trans	-112.3	132.8	-171.7	177	0	0	0	0	111.6
370	A	27.8	Very low	29.9	Very low	99 Å²	99	127.6 Å²	127.6	82%	0.818	80%	0.8	S	S	*	*			trans	-133.1	146.2	166.1	0	0	0	0	0	111.3
371	L	29.9	Very low	29.9	Very low	126 Å²	126	128.6 Å²	128.6	66%	0.66	81%	0.808	S	S	*	*			trans	-108.2	162.7	-176.3	-134.7	76.1	0	0	0	110.7	K373	L371-K373 HydrophobicContact CD2-CD 4.34Å; L371-K373 HydrophobicContact CD2-CG 3.85Å
372	P	31.4	Very low	29.5	Very low	126 Å²	126	126 Å²	126	82%	0.818	80%	0.803	S	S	*	*				-141.6	169.6	106.4	33.7	-18.4	0	0	0	115.6
373	K	29.3	Very low	29.7	Very low	175 Å²	175	131.7 Å²	131.7	76%	0.761	81%	0.806	S	S	*	*			trans	-117.9	-168.4	169.6	-61.7	177.2	179.6	176.7	0	108.6	L371	L371-K373 HydrophobicContact CD2-CD 4.34Å; L371-K373 HydrophobicContact CD2-CG 3.85Å
374	P	37.6	Very low	29.6	Very low	106 Å²	106	129 Å²	129	69%	0.688	80%	0.8	S	S	*	*				-124.1	-177.7	-78.1	39.3	-24.4	0	0	0	111.6
375	V	27	Very low	29.7	Very low	150 Å²	150	129.6 Å²	129.6	91%	0.909	80%	0.804	S	S	*	*			trans	-124.3	136.7	161.9	178.4	0	0	0	0	109.1
376	T	29	Very low	29.5	Very low	116 Å²	116	128.5 Å²	128.5	71%	0.712	80%	0.799	S	S	*	*			trans	-142.1	126.8	-177.4	-55.1	0	0	0	0	110
377	Q	29.3	Very low	30.3	Very low	190 Å²	190	129.6 Å²	129.6	89%	0.888	80%	0.799	S	S	*	*			trans	154.2	148.4	156.9	-89.4	173.2	34.1	0	0	108.3
378	A	28.1	Very low	29.9	Very low	88 Å²	88	130.1 Å²	130.1	73%	0.727	79%	0.794	S	S	*	*			cis	-163.6	172.3	-18.6	0	0	0	0	0	110.2
379	A	29.9	Very low	30	Very low	103 Å²	103	127.1 Å²	127.1	85%	0.851	78%	0.784	S	S	*	*			trans	62.9	113.3	157.2	0	0	0	0	0	120.6
380	G	27.2	Very low	29.8	Very low	66 Å²	66	128.9 Å²	128.9	68%	0.68	78%	0.783	S	S	*	*				106.3	107.7	97.7	0	0	0	0	0	119.2
381	S	29.3	Very low	29.8	Very low	137 Å²	137	128.6 Å²	128.6	96%	0.958	78%	0.781	S	S	*	*			trans	64.4	158.9	167.2	78.1	0	0	0	0	116.4
382	G	26.9	Very low	29.6	Very low	68 Å²	68	130.1 Å²	130.1	70%	0.701	79%	0.785	S	S	*	*			cis	165.4	143.1	-11.1	0	0	0	0	0	112
383	R	28.6	Very low	29.4	Very low	251 Å²	251	131.9 Å²	131.9	95%	0.947	78%	0.782	S	S	*	*			trans	62.2	116.1	173.4	-85.2	-176.2	170.3	-171.4	-3.5	119
384	C	26.9	Very low	29.2	Very low	117 Å²	117	128.9 Å²	128.9	79%	0.791	78%	0.783	S	S	*	*			trans	-60.4	157.5	134.7	-87.6	0	0	0	0	110.2
385	P	34.3	Very low	29	Very low	122 Å²	122	129.8 Å²	129.8	79%	0.792	79%	0.789	S	S	*	*			cis	-145.8	170.4	46.5	43.1	-24.9	0	0	0	118.3
386	S	29.1	Very low	29	Very low	107 Å²	107	127 Å²	127	75%	0.748	78%	0.782	S	S	*	*			trans	-72.4	159.2	158.5	-29.7	0	0	0	0	110.5
387	P	43.4	Very low	29	Very low	119 Å²	119	126.5 Å²	126.5	77%	0.773	79%	0.79	S	S	*	*				-149.5	148.9	66.8	39.4	-19.9	0	0	0	118.4
388	N	26.5	Very low	28.9	Very low	140 Å²	140	122.2 Å²	122.2	75%	0.749	79%	0.787	S	S	*	*			trans	36	116.2	130.8	-166.3	34.5	0	0	0	120.8
389	L	28.1	Very low	29	Very low	132 Å²	132	124.2 Å²	124.2	69%	0.691	79%	0.79	S	S	*	*				-179.2	139.1	116.8	-95.9	165.7	0	0	0	114.2
390	Q	27.2	Very low	28.8	Very low	168 Å²	168	125.1 Å²	125.1	79%	0.785	79%	0.785	S	S	*	*			trans	39.7	129.9	148.7	-72.5	170.9	-16.5	0	0	123.8
391	A	26.1	Very low	28.9	Very low	94 Å²	94	128.5 Å²	128.5	78%	0.777	79%	0.793	S	S	*	*			trans	46.9	142.2	141.7	0	0	0	0	0	120.1
392	Q	25.6	Very low	28.7	Very low	157 Å²	157	127.9 Å²	127.9	73%	0.734	78%	0.783	S	S	*	*			cis	-165.9	172.4	41.3	-173.2	162.1	-65.1	0	0	110.8
393	E	27.6	Very low	28.7	Very low	164 Å²	164	129.7 Å²	129.7	77%	0.766	79%	0.785	S	S	*	*			trans	70.1	151.8	160	-93.6	145.8	-135.3	0	0	120.8
394	S	26.4	Very low	28.9	Very low	111 Å²	111	124 Å²	124	78%	0.776	78%	0.781	S	S	*	*			trans	-123.5	158.5	171.9	-55.8	0	0	0	0	108.6
395	P	33.3	Very low	28.8	Very low	125 Å²	125	124.9 Å²	124.9	81%	0.812	78%	0.783	S	S	*	*				-142.7	154.4	120.3	36.5	-24	0	0	0	115.9
396	A	25.6	Very low	28.7	Very low	92 Å²	92	124 Å²	124	76%	0.76	78%	0.78	S	S	*	*			trans	51.8	102.4	147.4	0	0	0	0	0	121.2
397	A	28.9	Very low	28.6	Very low	106 Å²	106	123.9 Å²	123.9	88%	0.876	78%	0.779	S	S	*	*				41.4	117.7	125	0	0	0	0	0	121.5
398	A	27.5	Very low	28	Very low	100 Å²	100	127.1 Å²	127.1	83%	0.826	78%	0.776	S	S	*	*			trans	-139.9	140.8	143.7	0	0	0	0	0	109.4
399	T	30.8	Very low	28.3	Very low	130 Å²	130	124.1 Å²	124.1	80%	0.798	77%	0.766	S	S	*	*			trans	-97.3	123.2	-170.6	-49.8	0	0	0	0	111.9
400	T	25.3	Very low	28.9	Very low	122 Å²	122	120.9 Å²	120.9	75%	0.748	76%	0.758	S	S	*	*			trans	-138.4	102.4	166.2	-30.7	0	0	0	0	110.4	T402	T400-T402 PolarHBondContact O-N 2.94Å
401	T	29.3	Very low	29.5	Very low	137 Å²	137	118.9 Å²	118.9	84%	0.84	75%	0.748	S	S	*	*			trans	-75.9	101.6	178.8	-47.7	0	0	0	0	110.2
402	T	26.3	Very low	30.4	Very low	123 Å²	123	118.4 Å²	118.4	76%	0.755	74%	0.737	S	S	*	*			trans	-104.1	130.6	171.2	27.3	0	0	0	0	111.5	T400	T400-T402 PolarHBondContact O-N 2.94Å
403	S	26.7	Very low	31.4	Very low	107 Å²	107	113.6 Å²	113.6	75%	0.748	72%	0.719	S	S	*	*			trans	-61.5	137	-179.4	-38.2	0	0	0	0	111.7	T405	S403-T405 PolarHBondContact O-N 3.39Å
404	P	31.1	Very low	32.1	Very low	132 Å²	132	110.7 Å²	110.7	86%	0.857	72%	0.716	S	S	*	*			trans	-71.9	101.8	173.7	29	-33.1	0	0	0	110.2
405	T	25.6	Very low	33	Very low	135 Å²	135	116.1 Å²	116.1	83%	0.828	73%	0.725	S	S	*	*			trans	-61.6	134.3	165.7	24.4	0	0	0	0	110	S403 S407	S403-T405 PolarHBondContact O-N 3.39Å; T405-S407 PolarHBondContact O-N 3.19Å
406	S	32.5	Very low	34	Very low	104 Å²	104	114.9 Å²	114.9	73%	0.727	72%	0.719	S	S	*	*			trans	-69.7	90.4	-169.1	44.2	0	0	0	0	113.4	W408	S406-W408 PolarHBondContact O-N 3.14Å
407	S	26.1	Very low	36	Very low	104 Å²	104	112.7 Å²	112.7	73%	0.727	70%	0.695	S	S	*	*			trans	-84.9	99.2	170.1	-165.8	0	0	0	0	110.6	T405 S409	T405-S407 PolarHBondContact O-N 3.19Å; S407-S409 PolarHBondContact O-N 3.21Å; S407-S409 PolarHBondContact O-OG 2.82Å
408	W	31	Very low	38.4	Very low	187 Å²	187	111.7 Å²	111.7	71%	0.708	68%	0.679	S	S	*	*			trans	-61.6	101.5	174.3	-69.2	94	0	0	0	110.7	S406	S406-W408 PolarHBondContact O-N 3.14Å
409	S	33.7	Very low	41.3	Very low	77 Å²	77	107.1 Å²	107.1	54%	0.538	64%	0.642	S	S	.	*			trans	-113.3	92.5	179.8	46	0	0	0	0	110.3	S407 Q411	S407-S409 PolarHBondContact O-N 3.21Å; S407-S409 PolarHBondContact O-OG 2.82Å; S409-Q411 PolarHBondContact O-N 3.36Å; S409-Q411 PolarHBondContact O-NE2 3.06Å; S409-Q411 VanDerWaalsContact O-NE2 3.12Å; S409-Q411 PolarHBondContact OG-NE2 3.19Å
410	A	39.6	Very low	44.3	Very low	63 Å²	63	101 Å²	101	52%	0.521	60%	0.604	S	S	.	*			trans	-56.3	112.1	165.2	0	0	0	0	0	108.2	F731	A410-F731 HydrophobicContact CB-CB 4.29Å
411	Q	41.5	Very low	47.7	Very low	127 Å²	127	97 Å²	97	59%	0.593	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-70.7	127.4	-171.6	-66.6	-61.4	-48.6	0	0	109.5	S409 T413	S409-Q411 PolarHBondContact O-N 3.36Å; S409-Q411 PolarHBondContact O-NE2 3.06Å; S409-Q411 VanDerWaalsContact O-NE2 3.12Å; S409-Q411 PolarHBondContact OG-NE2 3.19Å; Q411-T413 PolarHBondContact O-N 3.2Å
412	P	44.6	Very low	50.9	Low	84 Å²	84	90.6 Å²	90.6	55%	0.545	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-66.2	126.5	169.2	28.7	-31.9	0	0	0	108.1	C414	P412-C414 PolarHBondContact O-N 2.99Å
413	T	46.7	Very low	54.3	Low	56 Å²	56	84.9 Å²	84.9	34%	0.344	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-56.7	129.9	-175.7	44.3	0	0	0	0	111.4	Q411 F729 R732	Q411-T413 PolarHBondContact O-N 3.2Å; T413-F729 PolarHBondContact OG1-O 3.22Å; T413-R732 HydrophobicContact CG2-CG 3.87Å
414	C	41.9	Very low	57.8	Low	103 Å²	103	79.8 Å²	79.8	70%	0.696	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-62.7	161	175.4	-114.1	0	0	0	0	111.3	P412 S416 D417	P412-C414 PolarHBondContact O-N 2.99Å; C414-S416 PolarHBondContact O-N 3.43Å; C414-D417 PolarHBondContact O-N 2.68Å
415	K	45.8	Very low	61	Low	225 Å²	225	73.5 Å²	73.5	98%	0.978	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	28.9	-177.7	-61.3	-177.5	178.8	178.5	0	114
416	S	54	Low	64.5	Low	98 Å²	98	67.1 Å²	67.1	69%	0.685	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.7	9	-171.4	61.3	0	0	0	0	113.4	C414 P418	C414-S416 PolarHBondContact O-N 3.43Å; S416-P418 WeakPolarHBondContact O-CD 3.43Å
417	D	67.8	Low	67.6	Low	46 Å²	46	62.1 Å²	62.1	25%	0.246	35%	0.351	C	S	.	.			trans	-65	119.6	167.8	-172.8	-19.5	0	0	0	108.3	C414 G419 R732	C414-D417 PolarHBondContact O-N 2.68Å; D417-G419 PolarHBondContact O-N 3.39Å; D417-G419 WeakPolarHBondContact OD1-CA 3.18Å; D417-G419 PolarHBondContact OD1-N 3.4Å; D417-R732 IonicContact OD1-NH1 3.59Å; D417-R732 WeakPolarHBondContact OD2-CD 3.08Å; D417-R732 IonicContact OD2-CZ 3.11Å; D417-R732 IonicContact OD2-NH1 3.78Å; D417-R732 PolarHBondContact OD2-NH1 2.84Å
418	P	78	Confident	71.1	Confident	85 Å²	85	57.3 Å²	57.3	55%	0.552	32%	0.317	S	S	*	.			trans	-66.5	-12.5	177.6	29.2	-36	0	0	0	113	S416	S416-P418 WeakPolarHBondContact O-CD 3.43Å
419	G	89.1	Confident	74.3	Confident	4 Å²	4	48.4 Å²	48.4	4%	0.041	28%	0.283	C	S	.	.			trans	83.9	149.8	-175.8	0	0	0	0	0	112.3	D417 L727	D417-G419 PolarHBondContact O-N 3.39Å; D417-G419 WeakPolarHBondContact OD1-CA 3.18Å; D417-G419 PolarHBondContact OD1-N 3.4Å; G419-L727 CarbonylContact C-O 3.47Å; G419-L727 WeakPolarHBondContact CA-O 3.15Å
420	F	93.9	Very high	77.3	Confident	3 Å²	3	45.9 Å²	45.9	1%	0.013	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	122.4	-179.7	-178.2	-102.4	0	0	0	110.4	I422 D454 M455 H514 F547 L727 F729	F420-I422 HydrophobicContact CD1-CD1 4.06Å; F420-I422 HydrophobicContact CD1-CG1 3.76Å; F420-I422 HydrophobicContact CE1-CD1 3.95Å; F420-I422 HydrophobicContact CE1-CG1 3.74Å; F420-D454 HydrophobicContact CD2-CB 3.61Å; F420-D454 HydrophobicContact CE2-CB 3.43Å; F420-D454 VanDerWaalsContact CE2-CB 3.43Å; F420-D454 HydrophobicContact CG-CB 4.31Å; F420-D454 HydrophobicContact CZ-CB 4Å; F420-M455 HydrophobicContact CE1-CB 3.83Å; F420-M455 HydrophobicContact CE1-CE 4.39Å; F420-M455 HydrophobicContact CE1-SD 4.17Å; F420-M455 HydrophobicContact CZ-CB 3.72Å; F420-M455 HydrophobicContact CZ-CE 4.14Å; F420-M455 HydrophobicContact CZ-SD 4.42Å; F420-H514 HydrophobicContact CE2-CB 4.44Å; F420-H514 AromaticContact CE2-CD2 3.75Å; F420-H514 AromaticContact CE2-CG 3.87Å; F420-H514 AromaticContact CE2-NE2 3.84Å; F420-F547 AromaticContact CD2-CE2 3.57Å; F420-F547 HydrophobicContact CD2-CE2 3.57Å; F420-F547 AromaticContact CD2-CZ 3.99Å; F420-F547 HydrophobicContact CD2-CZ 3.99Å; F420-F547 AromaticContact CE2-CE2 3.56Å; F420-F547 HydrophobicContact CE2-CE2 3.56Å; F420-F547 AromaticContact CE2-CZ 3.9Å; F420-F547 HydrophobicContact CE2-CZ 3.9Å; F420-F547 HydrophobicContact CG-CE2 4.07Å; F420-F547 HydrophobicContact CZ-CE2 4.07Å; F420-L727 HydrophobicContact CB-CB 4.31Å; F420-L727 HydrophobicContact CD1-CD2 4.47Å; F420-L727 PolarHBondContact N-O 2.89Å; F420-L727 PolarHBondContact O-N 2.77Å; F420-F729 HydrophobicContact CB-CD2 4.49Å; F420-F729 HydrophobicContact CB-CE2 3.53Å; F420-F729 HydrophobicContact CB-CZ 4.06Å; F420-F729 HydrophobicContact CD1-CE2 4.42Å; F420-F729 HydrophobicContact CD1-CZ 4.16Å; F420-F729 HydrophobicContact CG-CE2 4.05Å; F420-F729 HydrophobicContact CG-CZ 4.26Å
421	R	95.6	Very high	79.9	Confident	38 Å²	38	46.7 Å²	46.7	14%	0.143	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	114.8	-168.7	-69.3	170.2	169.3	-100.2	6.8	111.6	N450 D451 G452 D454 M455 F725 I726	R421-N450 VanDerWaalsContact CZ-O 3.24Å; R421-N450 PolarHBondContact NH2-O 2.98Å; R421-D451 IonicContact CZ-OD1 3.87Å; R421-D451 PolarHBondContact NH1-O 2.79Å; R421-D451 IonicContact NH1-OD1 3.76Å; R421-D451 PolarHBondContact NH1-OD1 3.37Å; R421-D451 IonicContact NH2-OD1 3.39Å; R421-G452 VanDerWaalsContact CD-O 3.22Å; R421-G452 WeakPolarHBondContact CD-O 3.42Å; R421-D454 PolarHBondContact N-OD2 2.88Å; R421-D454 WeakPolarHBondContact O-CB 3.18Å; R421-D454 PolarHBondContact O-N 2.76Å; R421-M455 PolarHBondContact O-N 3.12Å; R421-M455 VanDerWaalsContact O-N 3.11Å; R421-F725 CarbonylContact C-O 3.58Å; R421-F725 WeakPolarHBondContact CA-O 3.37Å; R421-I726 HydrophobicContact CG-CG1 4.43Å
422	I	97.6	Very high	82.4	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123	177.1	-55.2	-173.9	0	0	0	109.6	F420 V424 M455 L551 F553 F596 Q724 F725 L727	F420-I422 HydrophobicContact CD1-CD1 4.06Å; F420-I422 HydrophobicContact CD1-CG1 3.76Å; F420-I422 HydrophobicContact CE1-CD1 3.95Å; F420-I422 HydrophobicContact CE1-CG1 3.74Å; I422-V424 HydrophobicContact CG2-CG2 4.03Å; I422-M455 WeakPolarHBondContact CA-O 3.29Å; I422-M455 HydrophobicContact CD1-SD 4.35Å; I422-M455 HydrophobicContact CG1-CB 4.32Å; I422-L551 HydrophobicContact CD1-CD1 4.1Å; I422-F553 HydrophobicContact CD1-CZ 4.27Å; I422-F553 HydrophobicContact CG2-CE1 3.94Å; I422-F553 HydrophobicContact CG2-CZ 4.21Å; I422-F596 HydrophobicContact CD1-CE2 4.07Å; I422-F596 HydrophobicContact CD1-CZ 4.45Å; I422-F596 HydrophobicContact CG2-CE2 4.23Å; I422-F596 HydrophobicContact CG2-CZ 4.34Å; I422-Q724 CarbonylContact O-C 3.58Å; I422-F725 PolarHBondContact N-O 3.3Å; I422-F725 PolarHBondContact O-N 3.07Å; I422-L727 HydrophobicContact CD1-CD1 3.75Å; I422-L727 HydrophobicContact CD1-CD2 3.59Å; I422-L727 HydrophobicContact CD1-CG 4.31Å; I422-L727 HydrophobicContact CG1-CD1 4.02Å; I422-L727 HydrophobicContact CG1-CD2 4.46Å
423	T	98.2	Very high	84.7	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	129	165	-57.6	0	0	0	0	109.4	V425 A453 M455 I456 A457 A723	T423-V425 HydrophobicContact CG2-CG2 4.1Å; T423-A453 WeakPolarHBondContact OG1-CB 3.31Å; T423-M455 PolarHBondContact N-O 2.78Å; T423-I456 CarbonylContact O-C 3.56Å; T423-I456 VanDerWaalsContact O-CA 3.3Å; T423-I456 WeakPolarHBondContact O-CA 3.44Å; T423-A457 PolarHBondContact O-N 3.1Å; T423-A723 CarbonylContact C-O 3.52Å; T423-A723 WeakPolarHBondContact CA-O 3.4Å
424	V	98.8	Very high	87	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.9	172.1	-175.7	0	0	0	0	108.1	I422 A457 F553 F596 F598 I679 A722 A723 F725	I422-V424 HydrophobicContact CG2-CG2 4.03Å; V424-A457 CarbonylContact C-O 3.55Å; V424-A457 WeakPolarHBondContact CA-O 3.22Å; V424-A457 HydrophobicContact CG2-CB 4.48Å; V424-F553 HydrophobicContact CG2-CE1 4.41Å; V424-F596 HydrophobicContact CG2-CD1 3.94Å; V424-F596 HydrophobicContact CG2-CD2 4.44Å; V424-F596 HydrophobicContact CG2-CE1 4.07Å; V424-F596 HydrophobicContact CG2-CG 4.13Å; V424-F596 HydrophobicContact CG2-CZ 4.35Å; V424-F598 HydrophobicContact CG1-CB 4.36Å; V424-F598 HydrophobicContact CG1-CD1 3.8Å; V424-F598 HydrophobicContact CG1-CD2 3.76Å; V424-F598 HydrophobicContact CG1-CE1 3.9Å; V424-F598 HydrophobicContact CG1-CE2 3.84Å; V424-F598 HydrophobicContact CG1-CG 3.74Å; V424-F598 HydrophobicContact CG1-CZ 3.91Å; V424-I679 HydrophobicContact CB-CD1 4.3Å; V424-I679 HydrophobicContact CB-CG2 4.08Å; V424-I679 HydrophobicContact CG1-CD1 4.18Å; V424-I679 HydrophobicContact CG1-CG1 4.43Å; V424-I679 HydrophobicContact CG1-CG2 3.88Å; V424-I679 VanDerWaalsContact O-CD1 3.25Å; V424-I679 WeakPolarHBondContact O-CD1 3.38Å; V424-A722 CarbonylContact O-C 3.45Å; V424-A722 WeakPolarHBondContact O-CA 3.41Å; V424-A723 PolarHBondContact N-O 3.24Å; V424-A723 PolarHBondContact O-N 3.2Å; V424-F725 HydrophobicContact CB-CE2 4.18Å; V424-F725 HydrophobicContact CG2-CD2 4.09Å; V424-F725 HydrophobicContact CG2-CE2 3.9Å
425	V	98.9	Very high	89.5	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.7	178.5	179.3	0	0	0	0	109	T423 L441 L442 A457 I458 G459 V721 A722	T423-V425 HydrophobicContact CG2-CG2 4.1Å; V425-L441 HydrophobicContact CG1-CD1 4.08Å; V425-L441 HydrophobicContact CG1-CD2 4.02Å; V425-L441 HydrophobicContact CG1-CG 4.17Å; V425-L442 HydrophobicContact CG2-CD2 4.1Å; V425-A457 PolarHBondContact N-O 3.11Å; V425-I458 HydrophobicContact CB-CG1 4.47Å; V425-I458 HydrophobicContact CB-CG2 4.31Å; V425-I458 HydrophobicContact CG1-CG2 4.33Å; V425-G459 PolarHBondContact O-N 2.92Å; V425-V721 CarbonylContact C-O 3.37Å; V425-V721 WeakPolarHBondContact CA-O 3.43Å; V425-A722 HydrophobicContact CG2-CB 4.2Å
426	T	98.9	Very high	91.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.3	165.3	-176.6	0	0	0	0	111.7	G459 Q461 G599 D677 I679 V721	T426-G459 CarbonylContact C-O 3.5Å; T426-G459 VanDerWaalsContact CA-O 3.25Å; T426-G459 WeakPolarHBondContact CA-O 3.26Å; T426-Q461 PolarHBondContact OG1-NE2 2.76Å; T426-G599 WeakPolarHBondContact OG1-CA 3.37Å; T426-D677 HydrophobicContact CG2-CB 4.22Å; T426-I679 HydrophobicContact CG2-CD1 4.38Å; T426-I679 HydrophobicContact CG2-CG1 3.95Å; T426-V721 HydrophobicContact CG2-CB 3.92Å; T426-V721 PolarHBondContact N-O 2.82Å; T426-V721 PolarHBondContact O-N 3.26Å
427	W	98.8	Very high	93.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	116.6	175.7	-165.2	5.6	0	0	0	112.6	V429 P435 L441 G459 L460 Q461 W480 Y713 V715 H718 P720	W427-V429 HydrophobicContact CB-CG1 4.42Å; W427-V429 HydrophobicContact CD2-CG1 4.07Å; W427-V429 HydrophobicContact CE3-CG1 4.43Å; W427-V429 HydrophobicContact CG-CG1 4.07Å; W427-V429 PolarHBondContact O-N 2.83Å; W427-P435 HydrophobicContact CH2-CG 4.27Å; W427-P435 HydrophobicContact CZ3-CG 4.45Å; W427-L441 HydrophobicContact CE3-CD2 4.2Å; W427-L441 HydrophobicContact CZ3-CD2 4.35Å; W427-G459 PolarHBondContact N-O 2.91Å; W427-L460 HydrophobicContact CB-CD2 4.18Å; W427-L460 WeakPolarHBondContact O-CA 3.26Å; W427-Q461 PolarHBondContact O-N 2.94Å; W427-Q461 PolarHBondContact O-OE1 2.87Å; W427-W480 HydrophobicContact CD2-CH2 4.45Å; W427-W480 AromaticContact CE3-CH2 3.88Å; W427-W480 HydrophobicContact CE3-CH2 3.88Å; W427-W480 AromaticContact CE3-CZ3 3.74Å; W427-W480 HydrophobicContact CE3-CZ3 3.74Å; W427-W480 AromaticContact CH2-CH2 3.74Å; W427-W480 HydrophobicContact CH2-CH2 3.74Å; W427-W480 HydrophobicContact CH2-CZ3 4.17Å; W427-W480 HydrophobicContact CZ2-CH2 4.32Å; W427-W480 AromaticContact CZ3-CH2 3.51Å; W427-W480 HydrophobicContact CZ3-CH2 3.51Å; W427-W480 AromaticContact CZ3-CZ3 3.47Å; W427-W480 HydrophobicContact CZ3-CZ3 3.47Å; W427-W480 VanDerWaalsContact CZ3-CZ3 3.47Å; W427-Y713 AromaticContact CH2-CD1 3.98Å; W427-Y713 HydrophobicContact CH2-CD1 3.98Å; W427-Y713 AromaticContact CH2-CG 3.93Å; W427-Y713 HydrophobicContact CH2-CG 3.93Å; W427-Y713 HydrophobicContact CZ2-CG 4.46Å; W427-Y713 HydrophobicContact CZ3-CD1 4.46Å; W427-Y713 HydrophobicContact CZ3-CG 4.45Å; W427-V715 HydrophobicContact CH2-CG2 3.66Å; W427-V715 HydrophobicContact CZ2-CG2 3.51Å; W427-H718 PolarHBondContact NE1-O 2.8Å; W427-P720 HydrophobicContact CB-CB 3.93Å; W427-P720 HydrophobicContact CD2-CB 3.65Å; W427-P720 HydrophobicContact CD2-CG 3.67Å; W427-P720 HydrophobicContact CE3-CB 3.97Å; W427-P720 HydrophobicContact CE3-CG 3.93Å; W427-P720 HydrophobicContact CG-CB 3.63Å; W427-P720 HydrophobicContact CG-CG 4.1Å; W427-P720 HydrophobicContact CH2-CG 4.24Å; W427-P720 HydrophobicContact CZ2-CG 4Å; W427-P720 HydrophobicContact CZ3-CG 4.19Å
428	N	98.8	Very high	94.9	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	112.8	162.2	-177.2	-20.2	0	0	0	108.1	G430 Q461 E462 D600 S716 H718	N428-G430 VanDerWaalsContact C-N 3.33Å; N428-G430 PolarHBondContact OD1-N 2.87Å; N428-Q461 CarbonylContact C-O 3.58Å; N428-Q461 WeakPolarHBondContact CA-O 3.4Å; N428-Q461 HydrophobicContact CB-CB 4.07Å; N428-Q461 PolarHBondContact OD1-O 2.83Å; N428-E462 WeakPolarHBondContact OD1-CB 3.44Å; N428-E462 WeakPolarHBondContact OD1-CG 3.39Å; N428-D600 HydrophobicContact CB-CB 4.24Å; N428-D600 PolarHBondContact ND2-OD2 3.47Å; N428-S716 WeakPolarHBondContact O-CB 3.24Å; N428-S716 PolarHBondContact O-OG 3.15Å; N428-H718 HydrophobicContact CB-CB 4.02Å; N428-H718 PolarHBondContact ND2-NE2 3.44Å; N428-H718 WeakPolarHBondContact O-CB 3.49Å
429	V	98.1	Very high	95.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.171	C	C	.	.			trans	-87.6	0.1	-173.8	-53.3	0	0	0	0	113.1	W427 T431 A432 L460 Q461 V463 W480	W427-V429 HydrophobicContact CB-CG1 4.42Å; W427-V429 HydrophobicContact CD2-CG1 4.07Å; W427-V429 HydrophobicContact CE3-CG1 4.43Å; W427-V429 HydrophobicContact CG-CG1 4.07Å; W427-V429 PolarHBondContact O-N 2.83Å; V429-T431 PolarHBondContact O-N 2.93Å; V429-T431 VanDerWaalsContact O-N 3.14Å; V429-A432 WeakPolarHBondContact O-CB 3.41Å; V429-A432 PolarHBondContact O-N 3.13Å; V429-L460 HydrophobicContact CG1-CD2 4.19Å; V429-Q461 WeakPolarHBondContact CG2-O 3.41Å; V429-Q461 PolarHBondContact N-O 3.48Å; V429-V463 HydrophobicContact CG2-CB 4.31Å; V429-V463 HydrophobicContact CG2-CG2 3.84Å; V429-W480 HydrophobicContact CB-CH2 4.12Å; V429-W480 HydrophobicContact CB-CZ2 3.54Å; V429-W480 HydrophobicContact CG1-CD2 4.22Å; V429-W480 HydrophobicContact CG1-CE3 4.36Å; V429-W480 HydrophobicContact CG1-CH2 3.61Å; V429-W480 HydrophobicContact CG1-CZ2 3.47Å; V429-W480 VanDerWaalsContact CG1-CZ2 3.47Å; V429-W480 HydrophobicContact CG1-CZ3 4.07Å; V429-W480 HydrophobicContact CG2-CZ2 4.13Å
430	G	95.9	Very high	95.6	Very high	23 Å²	23	32.4 Å²	32.4	24%	0.237	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	30.6	173.7	0	0	0	0	0	114.6	N428 A432	N428-G430 VanDerWaalsContact C-N 3.33Å; N428-G430 PolarHBondContact OD1-N 2.87Å; G430-A432 PolarHBondContact O-N 2.83Å
431	T	94.2	Very high	95.6	Very high	81 Å²	81	32.3 Å²	32.3	50%	0.497	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	8.5	-169.6	69.9	0	0	0	0	116.8	V429 E462	V429-T431 PolarHBondContact O-N 2.93Å; V429-T431 VanDerWaalsContact O-N 3.14Å; T431-E462 WeakPolarHBondContact CA-O 3.23Å; T431-E462 HydrophobicContact CG2-CB 4.34Å; T431-E462 WeakPolarHBondContact CG2-O 3.38Å; T431-E462 PolarHBondContact N-O 2.91Å
432	A	94.5	Very high	95.4	Very high	23 Å²	23	30.7 Å²	30.7	19%	0.19	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-66.2	162.6	177.5	0	0	0	0	0	113.4	V429 G430 W480 V715	V429-A432 WeakPolarHBondContact O-CB 3.41Å; V429-A432 PolarHBondContact O-N 3.13Å; G430-A432 PolarHBondContact O-N 2.83Å; A432-W480 PolarHBondContact O-NE1 2.81Å; A432-V715 HydrophobicContact CB-CB 4.3Å; A432-V715 HydrophobicContact CB-CG2 4.48Å; A432-V715 VanDerWaalsContact CB-O 3.28Å; A432-V715 WeakPolarHBondContact CB-O 3.3Å
433	M	93.4	Very high	94.8	Very high	98 Å²	98	32.1 Å²	32.1	48%	0.483	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-76.3	155.1	168.4	-54.1	-50	-63.9	0	0	110.1	W480	M433-W480 WeakPolarHBondContact O-CZ2 3.37Å
434	P	94.8	Very high	94	Very high	29 Å²	29	32.8 Å²	32.8	19%	0.188	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-53.7	147.2	168.7	20.2	-32.1	0	0	0	112.4	Q479 W480 L483	P434-Q479 HydrophobicContact CG-CB 3.89Å; P434-W480 HydrophobicContact CB-CD2 4.04Å; P434-W480 HydrophobicContact CB-CE3 4.13Å; P434-W480 HydrophobicContact CB-CG 4.49Å; P434-W480 HydrophobicContact CB-CZ2 4.5Å; P434-W480 HydrophobicContact CB-CZ3 4.43Å; P434-L483 HydrophobicContact CB-CB 4.17Å; P434-L483 HydrophobicContact CB-CD2 3.56Å; P434-L483 HydrophobicContact CB-CG 4.35Å
435	P	95.2	Very high	92.4	Very high	22 Å²	22	35.7 Å²	35.7	14%	0.143	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-73.3	165.3	163.5	34.9	-36.7	0	0	0	111	W427 D437 V438 L483 Y713 V715	W427-P435 HydrophobicContact CH2-CG 4.27Å; W427-P435 HydrophobicContact CZ3-CG 4.45Å; P435-D437 VanDerWaalsContact C-N 3.27Å; P435-D437 WeakPolarHBondContact CG-O 3.32Å; P435-D437 PolarHBondContact O-N 2.97Å; P435-V438 HydrophobicContact CG-CG1 4.08Å; P435-L483 HydrophobicContact CG-CD2 4.43Å; P435-L483 WeakPolarHBondContact O-CD1 3.44Å; P435-Y713 HydrophobicContact CG-CD1 4.17Å; P435-Y713 HydrophobicContact CG-CE1 4.29Å; P435-V715 HydrophobicContact CB-CG1 4.45Å
436	D	92.4	Very high	90.6	Very high	174 Å²	174	39 Å²	39	93%	0.93	25%	0.247	S	C	*	.	S	Bend	trans	-70.8	-18.9	179.4	-51.4	-56.7	0	0	0	113.9
437	D	92.3	Very high	88.2	Confident	69 Å²	69	42.5 Å²	42.5	37%	0.369	28%	0.283	S	S	.	.			trans	-137.3	146.6	178.6	175.5	52.8	0	0	0	112.2	P435 T439 Y713	P435-D437 VanDerWaalsContact C-N 3.27Å; P435-D437 WeakPolarHBondContact CG-O 3.32Å; P435-D437 PolarHBondContact O-N 2.97Å; D437-T439 VanDerWaalsContact CG-N 3.33Å; D437-T439 WeakPolarHBondContact OD1-CB 3.42Å; D437-T439 PolarHBondContact OD1-N 3.09Å; D437-T439 PolarHBondContact OD1-OG1 2.92Å; D437-T439 PolarHBondContact OD2-N 2.92Å; D437-Y713 VanDerWaalsContact O-CE1 3.3Å; D437-Y713 WeakPolarHBondContact O-CE1 3.43Å
438	V	94.9	Very high	85.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	32%	0.317	C	S	.	.			trans	-133.6	10.4	168.9	-78.2	0	0	0	0	113.5	P435 S440 L441 L442 L483 F484 A487	P435-V438 HydrophobicContact CG-CG1 4.08Å; V438-S440 VanDerWaalsContact C-N 3.3Å; V438-S440 PolarHBondContact O-N 3.14Å; V438-L441 HydrophobicContact CG1-CD2 4.5Å; V438-L441 WeakPolarHBondContact O-CB 3.17Å; V438-L441 PolarHBondContact O-N 2.82Å; V438-L442 HydrophobicContact CB-CD1 4.1Å; V438-L442 HydrophobicContact CB-CG 4.49Å; V438-L442 HydrophobicContact CG2-CD1 3.83Å; V438-L442 WeakPolarHBondContact O-CG 3.32Å; V438-L442 PolarHBondContact O-N 2.9Å; V438-L442 VanDerWaalsContact O-N 3.1Å; V438-L483 HydrophobicContact CG1-CD2 3.73Å; V438-L483 HydrophobicContact CG2-CD1 4.39Å; V438-L483 HydrophobicContact CG2-CD2 4.06Å; V438-L483 HydrophobicContact CG2-CG 4.04Å; V438-F484 HydrophobicContact CB-CE1 3.95Å; V438-F484 HydrophobicContact CG1-CE1 3.81Å; V438-F484 HydrophobicContact CG1-CZ 4.26Å; V438-F484 HydrophobicContact CG2-CD1 3.92Å; V438-F484 HydrophobicContact CG2-CE1 3.84Å; V438-A487 HydrophobicContact CG2-CB 3.68Å
439	T	90.9	Very high	83.4	Confident	51 Å²	51	57.9 Å²	57.9	31%	0.313	36%	0.36	S	S	.	.	H	α-helix	trans	-52.4	-46	-180	-62.9	0	0	0	0	112	D437 L442 H443 L444	D437-T439 VanDerWaalsContact CG-N 3.33Å; D437-T439 WeakPolarHBondContact OD1-CB 3.42Å; D437-T439 PolarHBondContact OD1-N 3.09Å; D437-T439 PolarHBondContact OD1-OG1 2.92Å; D437-T439 PolarHBondContact OD2-N 2.92Å; T439-L442 PolarHBondContact O-N 2.93Å; T439-H443 PolarHBondContact O-N 2.84Å; T439-L444 HydrophobicContact CG2-CB 3.95Å; T439-L444 WeakPolarHBondContact CG2-O 3.49Å; T439-L444 PolarHBondContact O-N 2.96Å
440	S	90.5	Very high	81.1	Confident	62 Å²	62	63.4 Å²	63.4	43%	0.434	39%	0.389	S	S	.	.	H	α-helix	trans	-68	-39.2	-178.6	-58.8	0	0	0	0	113	V438 L442 R708 H710	V438-S440 VanDerWaalsContact C-N 3.3Å; V438-S440 PolarHBondContact O-N 3.14Å; S440-L442 VanDerWaalsContact C-N 3.33Å; S440-L442 PolarHBondContact O-N 3.34Å; S440-R708 PolarHBondContact O-NH2 3.31Å; S440-H710 PolarHBondContact O-CE1 3.03Å; S440-H710 VanDerWaalsContact O-CE1 3.28Å
441	L	94	Very high	79.4	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-60.6	-42.9	174.5	-178.2	54.2	0	0	0	111.8	V425 W427 V438 H443 H710 Y713 P720 A722	V425-L441 HydrophobicContact CG1-CD1 4.08Å; V425-L441 HydrophobicContact CG1-CD2 4.02Å; V425-L441 HydrophobicContact CG1-CG 4.17Å; W427-L441 HydrophobicContact CE3-CD2 4.2Å; W427-L441 HydrophobicContact CZ3-CD2 4.35Å; V438-L441 HydrophobicContact CG1-CD2 4.5Å; V438-L441 WeakPolarHBondContact O-CB 3.17Å; V438-L441 PolarHBondContact O-N 2.82Å; L441-H443 PolarHBondContact O-CE1 2.92Å; L441-H443 PolarHBondContact O-ND1 3.48Å; L441-H710 HydrophobicContact CD1-CB 4.38Å; L441-Y713 HydrophobicContact CB-CE2 3.66Å; L441-Y713 PolarHBondContact N-OH 2.65Å; L441-P720 HydrophobicContact CD1-CB 3.84Å; L441-P720 HydrophobicContact CD1-CG 4.3Å; L441-P720 HydrophobicContact CD2-CB 4.11Å; L441-P720 HydrophobicContact CD2-CG 4.39Å; L441-A722 HydrophobicContact CD1-CB 4.2Å
442	L	91.4	Very high	78.8	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.021	38%	0.384	C	S	.	.	H	α-helix	trans	-92.9	1.3	-171.3	-61.3	173.6	0	0	0	113.9	V425 V438 T439 S440 L444 I456 I458 F484 L488	V425-L442 HydrophobicContact CG2-CD2 4.1Å; V438-L442 HydrophobicContact CB-CD1 4.1Å; V438-L442 HydrophobicContact CB-CG 4.49Å; V438-L442 HydrophobicContact CG2-CD1 3.83Å; V438-L442 WeakPolarHBondContact O-CG 3.32Å; V438-L442 PolarHBondContact O-N 2.9Å; V438-L442 VanDerWaalsContact O-N 3.1Å; T439-L442 PolarHBondContact O-N 2.93Å; S440-L442 VanDerWaalsContact C-N 3.33Å; S440-L442 PolarHBondContact O-N 3.34Å; L442-L444 HydrophobicContact CB-CD1 3.86Å; L442-L444 HydrophobicContact CB-CD2 4.32Å; L442-L444 HydrophobicContact CB-CG 3.69Å; L442-L444 HydrophobicContact CD1-CD1 4.04Å; L442-L444 PolarHBondContact O-N 3.39Å; L442-I456 HydrophobicContact CD2-CG2 4.07Å; L442-I458 HydrophobicContact CD2-CD1 3.98Å; L442-F484 HydrophobicContact CD1-CD1 3.86Å; L442-F484 HydrophobicContact CD1-CE1 4.03Å; L442-L488 HydrophobicContact CD1-CD1 4.42Å; L442-L488 HydrophobicContact CD1-CD2 4.07Å; L442-L488 HydrophobicContact CD1-CG 4.18Å
443	H	85.6	Confident	78.7	Confident	31 Å²	31	61.8 Å²	61.8	14%	0.144	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	34.6	-176	-53.5	63.1	0	0	0	113	T439 L441 S446 R708 H710 Q724	T439-H443 PolarHBondContact O-N 2.84Å; L441-H443 PolarHBondContact O-CE1 2.92Å; L441-H443 PolarHBondContact O-ND1 3.48Å; H443-S446 PolarHBondContact O-OG 3.45Å; H443-R708 PolarHBondContact CD2-NH2 3.22Å; H443-R708 PolarHBondContact NE2-NE 3.25Å; H443-R708 PolarHBondContact NE2-NH2 2.87Å; H443-H710 AromaticContact NE2-NE2 3.97Å; H443-Q724 PolarHBondContact CD2-NE2 3.06Å; H443-Q724 VanDerWaalsContact CD2-NE2 3.34Å
444	L	81.7	Confident	78.8	Confident	17 Å²	17	58.1 Å²	58.1	9%	0.089	36%	0.361	C	S	.	.			trans	-81.1	149.1	179.7	-56.3	173.4	0	0	0	110.2	T439 L442 S446 A487 L488 F491	T439-L444 HydrophobicContact CG2-CB 3.95Å; T439-L444 WeakPolarHBondContact CG2-O 3.49Å; T439-L444 PolarHBondContact O-N 2.96Å; L442-L444 HydrophobicContact CB-CD1 3.86Å; L442-L444 HydrophobicContact CB-CD2 4.32Å; L442-L444 HydrophobicContact CB-CG 3.69Å; L442-L444 HydrophobicContact CD1-CD1 4.04Å; L442-L444 PolarHBondContact O-N 3.39Å; L444-S446 PolarHBondContact O-N 2.7Å; L444-A487 WeakPolarHBondContact CD1-O 3.28Å; L444-L488 HydrophobicContact CD1-CD2 3.85Å; L444-L488 HydrophobicContact CD2-CD2 3.85Å; L444-L488 HydrophobicContact CG-CD2 4.41Å; L444-F491 HydrophobicContact CB-CD2 4.22Å; L444-F491 HydrophobicContact CB-CE1 4.22Å; L444-F491 HydrophobicContact CB-CE2 3.81Å; L444-F491 HydrophobicContact CB-CZ 3.81Å; L444-F491 HydrophobicContact CD1-CD2 3.96Å; L444-F491 HydrophobicContact CD1-CE2 3.97Å; L444-F491 HydrophobicContact CD2-CB 4.28Å; L444-F491 HydrophobicContact CD2-CD1 4.4Å; L444-F491 HydrophobicContact CD2-CD2 3.94Å; L444-F491 HydrophobicContact CD2-CE2 4.4Å; L444-F491 HydrophobicContact CD2-CG 3.94Å; L444-F491 HydrophobicContact CG-CD2 4.24Å; L444-F491 HydrophobicContact CG-CE2 4.26Å
445	G	65.8	Low	78.9	Confident	62 Å²	62	56.7 Å²	56.7	64%	0.639	35%	0.352	S	S	*	.	S	Bend	trans	69	-1.9	174.6	0	0	0	0	0	117	G447	G445-G447 PolarHBondContact O-N 3.48Å
446	S	61.1	Low	79.1	Confident	70 Å²	70	55.7 Å²	55.7	49%	0.49	35%	0.346	S	S	.	.			trans	-70.3	102.7	170.4	55	0	0	0	0	109.8	H443 L444 H448	H443-S446 PolarHBondContact O-OG 3.45Å; L444-S446 PolarHBondContact O-N 2.7Å; S446-H448 PolarHBondContact O-N 3.44Å
447	G	47.3	Very low	79.4	Confident	74 Å²	74	47.4 Å²	47.4	76%	0.763	30%	0.301	S	S	*	.	S	Bend	trans	-68.1	52.7	-167.3	0	0	0	0	0	117.4	G445	G445-G447 PolarHBondContact O-N 3.48Å
448	H	50.3	Low	79.7	Confident	154 Å²	154	44.1 Å²	44.1	71%	0.713	28%	0.284	S	S	*	.			trans	-116.3	105.9	158.7	-101.7	-77.2	0	0	0	107.6	S446 N450 D451	S446-H448 PolarHBondContact O-N 3.44Å; H448-N450 PolarHBondContact O-N 2.82Å; H448-D451 PolarHBondContact O-N 2.99Å; H448-D451 VanDerWaalsContact O-N 3.12Å
449	D	47.9	Very low	79.9	Confident	172 Å²	172	44.1 Å²	44.1	92%	0.92	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-10.8	-173.4	-50.2	-56.1	0	0	0	114.4
450	N	48.8	Very low	80.3	Confident	115 Å²	115	41.7 Å²	41.7	62%	0.615	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	7.5	-176.2	-161.1	17.8	0	0	0	114.1	R421 H448	R421-N450 VanDerWaalsContact CZ-O 3.24Å; R421-N450 PolarHBondContact NH2-O 2.98Å; H448-N450 PolarHBondContact O-N 2.82Å
451	D	59.6	Low	80.7	Confident	48 Å²	48	38.8 Å²	38.8	26%	0.257	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-10.5	178.7	-154.5	48.4	0	0	0	115.5	R421 H448	R421-D451 IonicContact CZ-OD1 3.87Å; R421-D451 PolarHBondContact NH1-O 2.79Å; R421-D451 IonicContact NH1-OD1 3.76Å; R421-D451 PolarHBondContact NH1-OD1 3.37Å; R421-D451 IonicContact NH2-OD1 3.39Å; H448-D451 PolarHBondContact O-N 2.99Å; H448-D451 VanDerWaalsContact O-N 3.12Å
452	G	81.4	Confident	80.8	Confident	35 Å²	35	42.2 Å²	42.2	36%	0.361	26%	0.264	S	S	.	.			trans	-61.9	144	179.7	0	0	0	0	0	113.5	R421	R421-G452 VanDerWaalsContact CD-O 3.22Å; R421-G452 WeakPolarHBondContact CD-O 3.42Å
453	A	92.8	Very high	80.9	Confident	11 Å²	11	42.2 Å²	42.2	9%	0.091	27%	0.265	C	S	.	.			trans	-67	161.3	176.4	0	0	0	0	0	112.7	T423 I456 F493 K511	T423-A453 WeakPolarHBondContact OG1-CB 3.31Å; A453-I456 HydrophobicContact CB-CD1 4.36Å; A453-I456 HydrophobicContact CB-CG1 3.98Å; A453-F493 HydrophobicContact CB-CZ 4.15Å; A453-F493 VanDerWaalsContact O-CZ 3.3Å; A453-F493 WeakPolarHBondContact O-CZ 2.93Å; A453-K511 WeakPolarHBondContact O-CE 3.37Å; A453-K511 PolarHBondContact O-NZ 2.87Å
454	D	95.8	Very high	81	Confident	20 Å²	20	43.4 Å²	43.4	11%	0.107	27%	0.272	C	S	.	.	S	Bend	trans	-106.3	-31.9	172.2	-68.9	-57.4	0	0	0	112.4	F420 R421 F493 A510 K511 H514	F420-D454 HydrophobicContact CD2-CB 3.61Å; F420-D454 HydrophobicContact CE2-CB 3.43Å; F420-D454 VanDerWaalsContact CE2-CB 3.43Å; F420-D454 HydrophobicContact CG-CB 4.31Å; F420-D454 HydrophobicContact CZ-CB 4Å; R421-D454 PolarHBondContact N-OD2 2.88Å; R421-D454 WeakPolarHBondContact O-CB 3.18Å; R421-D454 PolarHBondContact O-N 2.76Å; D454-F493 WeakPolarHBondContact O-CE1 3.32Å; D454-A510 WeakPolarHBondContact O-CA 3.23Å; D454-K511 PolarHBondContact O-N 3.08Å; D454-K511 IonicContact OD1-NZ 3.31Å; D454-H514 WeakPolarHBondContact CB-NE2 3.32Å; D454-H514 VanDerWaalsContact CG-NE2 3.26Å; D454-H514 IonicContact OD1-CD2 3.87Å; D454-H514 IonicContact OD1-CE1 3.91Å; D454-H514 IonicContact OD1-NE2 3.85Å; D454-H514 PolarHBondContact OD1-NE2 2.71Å
455	M	98.1	Very high	80.5	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	141.9	177.7	175.6	175.6	-78.2	0	0	109.9	F420 R421 I422 T423 L508 F509 A510 L518 L544 F553	F420-M455 HydrophobicContact CE1-CB 3.83Å; F420-M455 HydrophobicContact CE1-CE 4.39Å; F420-M455 HydrophobicContact CE1-SD 4.17Å; F420-M455 HydrophobicContact CZ-CB 3.72Å; F420-M455 HydrophobicContact CZ-CE 4.14Å; F420-M455 HydrophobicContact CZ-SD 4.42Å; R421-M455 PolarHBondContact O-N 3.12Å; R421-M455 VanDerWaalsContact O-N 3.11Å; I422-M455 WeakPolarHBondContact CA-O 3.29Å; I422-M455 HydrophobicContact CD1-SD 4.35Å; I422-M455 HydrophobicContact CG1-CB 4.32Å; T423-M455 PolarHBondContact N-O 2.78Å; M455-L508 HydrophobicContact CG-CD1 3.84Å; M455-L508 HydrophobicContact SD-CD1 3.99Å; M455-F509 CarbonylContact C-O 3.51Å; M455-F509 VanDerWaalsContact CA-O 3.28Å; M455-F509 WeakPolarHBondContact CA-O 3.47Å; M455-F509 WeakPolarHBondContact CG-O 3.13Å; M455-A510 HydrophobicContact CB-CB 4.48Å; M455-A510 HydrophobicContact CE-CB 4.08Å; M455-L518 HydrophobicContact CE-CD1 3.73Å; M455-L518 HydrophobicContact CE-CD2 3.79Å; M455-L518 HydrophobicContact CE-CG 4.45Å; M455-L544 HydrophobicContact CE-CD1 4.34Å; M455-L544 HydrophobicContact CE-CD2 4.15Å; M455-F553 HydrophobicContact SD-CE2 3.98Å; M455-F553 HydrophobicContact SD-CZ 3.69Å
456	I	98.6	Very high	80.3	Confident	1 Å²	1	50 Å²	50	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	120.7	-179.6	-56	177.7	0	0	0	109.4	T423 L442 A453 I458 L488 F493 F509	T423-I456 CarbonylContact O-C 3.56Å; T423-I456 VanDerWaalsContact O-CA 3.3Å; T423-I456 WeakPolarHBondContact O-CA 3.44Å; L442-I456 HydrophobicContact CD2-CG2 4.07Å; A453-I456 HydrophobicContact CB-CD1 4.36Å; A453-I456 HydrophobicContact CB-CG1 3.98Å; I456-I458 HydrophobicContact CG2-CD1 4.1Å; I456-I458 HydrophobicContact CG2-CG1 3.76Å; I456-L488 HydrophobicContact CD1-CD1 4.43Å; I456-L488 HydrophobicContact CD1-CD2 3.64Å; I456-F493 HydrophobicContact CD1-CD1 4.42Å; I456-F493 HydrophobicContact CD1-CE1 3.86Å; I456-F493 HydrophobicContact CD1-CE2 3.98Å; I456-F493 HydrophobicContact CD1-CZ 3.6Å; I456-F493 HydrophobicContact CG1-CD1 4.46Å; I456-F493 HydrophobicContact CG1-CE1 3.72Å; I456-F493 HydrophobicContact CG1-CZ 3.84Å; I456-F509 HydrophobicContact CB-CB 4.42Å; I456-F509 PolarHBondContact N-O 3.03Å; I456-F509 PolarHBondContact O-N 3.01Å
457	A	98.8	Very high	79.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122	174.4	0	0	0	0	0	109.9	T423 V424 V425 L506 L507 L508 F553 F598	T423-A457 PolarHBondContact O-N 3.1Å; V424-A457 CarbonylContact C-O 3.55Å; V424-A457 WeakPolarHBondContact CA-O 3.22Å; V424-A457 HydrophobicContact CG2-CB 4.48Å; V425-A457 PolarHBondContact N-O 3.11Å; A457-L506 HydrophobicContact CB-CD1 4.41Å; A457-L507 WeakPolarHBondContact CA-O 3.32Å; A457-L508 HydrophobicContact CB-CD1 3.73Å; A457-F553 HydrophobicContact CB-CD1 3.47Å; A457-F553 VanDerWaalsContact CB-CD1 3.47Å; A457-F553 HydrophobicContact CB-CE1 3.67Å; A457-F553 HydrophobicContact CB-CG 4.2Å; A457-F598 HydrophobicContact CB-CZ 4.23Å
458	I	98.9	Very high	79.9	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	108.8	-175.9	-49	-177.9	0	0	0	109.5	V425 L442 I456 L460 F484 L488 L506 L507 F509	V425-I458 HydrophobicContact CB-CG1 4.47Å; V425-I458 HydrophobicContact CB-CG2 4.31Å; V425-I458 HydrophobicContact CG1-CG2 4.33Å; L442-I458 HydrophobicContact CD2-CD1 3.98Å; I456-I458 HydrophobicContact CG2-CD1 4.1Å; I456-I458 HydrophobicContact CG2-CG1 3.76Å; I458-L460 HydrophobicContact CG2-CD2 3.89Å; I458-L460 HydrophobicContact CG2-CG 4.27Å; I458-F484 HydrophobicContact CD1-CB 4.17Å; I458-F484 HydrophobicContact CD1-CD1 3.48Å; I458-F484 VanDerWaalsContact CD1-CD1 3.48Å; I458-F484 HydrophobicContact CD1-CD2 4.07Å; I458-F484 HydrophobicContact CD1-CE1 3.8Å; I458-F484 HydrophobicContact CD1-CE2 4.36Å; I458-F484 HydrophobicContact CD1-CG 3.64Å; I458-F484 HydrophobicContact CD1-CZ 4.24Å; I458-F484 HydrophobicContact CG2-CD2 4.27Å; I458-F484 HydrophobicContact CG2-CE1 4.49Å; I458-F484 HydrophobicContact CG2-CE2 3.82Å; I458-F484 HydrophobicContact CG2-CZ 3.94Å; I458-L488 HydrophobicContact CD1-CD1 4.41Å; I458-L506 WeakPolarHBondContact O-CA 3.28Å; I458-L507 HydrophobicContact CB-CB 4.35Å; I458-L507 PolarHBondContact N-O 3.26Å; I458-L507 PolarHBondContact O-N 3.4Å; I458-F509 HydrophobicContact CD1-CD2 4.33Å; I458-F509 HydrophobicContact CD1-CE2 4.09Å
459	G	98.8	Very high	79.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	110.1	177.4	0	0	0	0	0	111.8	V425 T426 W427 Q461 I505 N555	V425-G459 PolarHBondContact O-N 2.92Å; T426-G459 CarbonylContact C-O 3.5Å; T426-G459 VanDerWaalsContact CA-O 3.25Å; T426-G459 WeakPolarHBondContact CA-O 3.26Å; W427-G459 PolarHBondContact N-O 2.91Å; G459-Q461 PolarHBondContact O-NE2 2.87Å; G459-Q461 VanDerWaalsContact O-NE2 3.13Å; G459-I505 CarbonylContact C-O 3.59Å; G459-I505 WeakPolarHBondContact CA-O 3.07Å; G459-N555 VanDerWaalsContact CA-ND2 3.27Å; G459-N555 WeakPolarHBondContact CA-ND2 3.35Å
460	L	98.6	Very high	79.4	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	150.4	176.9	-52.7	177.2	0	0	0	111.4	W427 V429 I458 V463 W480 F484 V504 I505 N555	W427-L460 HydrophobicContact CB-CD2 4.18Å; W427-L460 WeakPolarHBondContact O-CA 3.26Å; V429-L460 HydrophobicContact CG1-CD2 4.19Å; I458-L460 HydrophobicContact CG2-CD2 3.89Å; I458-L460 HydrophobicContact CG2-CG 4.27Å; L460-V463 HydrophobicContact CB-CG2 3.43Å; L460-V463 VanDerWaalsContact CB-CG2 3.43Å; L460-V463 HydrophobicContact CD1-CG2 3.84Å; L460-V463 HydrophobicContact CG-CG2 4.29Å; L460-W480 HydrophobicContact CD1-CB 3.73Å; L460-W480 HydrophobicContact CD1-CD2 4.34Å; L460-W480 HydrophobicContact CD1-CE3 4.38Å; L460-W480 HydrophobicContact CD1-CG 4.11Å; L460-F484 HydrophobicContact CD1-CE2 4.08Å; L460-F484 HydrophobicContact CD2-CE2 4.13Å; L460-V504 WeakPolarHBondContact O-CA 3.41Å; L460-I505 HydrophobicContact CB-CB 4.31Å; L460-I505 PolarHBondContact N-O 2.98Å; L460-I505 PolarHBondContact O-N 2.86Å; L460-N555 PolarHBondContact N-ND2 2.75Å; L460-N555 PolarHBondContact O-ND2 3.38Å
461	Q	98.4	Very high	79.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	154	171.1	-49.1	81.5	35.3	0	0	111.5	T426 W427 N428 V429 G459 V463 G503 N555 H557 D600	T426-Q461 PolarHBondContact OG1-NE2 2.76Å; W427-Q461 PolarHBondContact O-N 2.94Å; W427-Q461 PolarHBondContact O-OE1 2.87Å; N428-Q461 CarbonylContact C-O 3.58Å; N428-Q461 WeakPolarHBondContact CA-O 3.4Å; N428-Q461 HydrophobicContact CB-CB 4.07Å; N428-Q461 PolarHBondContact OD1-O 2.83Å; V429-Q461 WeakPolarHBondContact CG2-O 3.41Å; V429-Q461 PolarHBondContact N-O 3.48Å; G459-Q461 PolarHBondContact O-NE2 2.87Å; G459-Q461 VanDerWaalsContact O-NE2 3.13Å; Q461-V463 PolarHBondContact O-N 2.91Å; Q461-G503 CarbonylContact C-O 3.57Å; Q461-G503 VanDerWaalsContact C-O 3.25Å; Q461-G503 WeakPolarHBondContact CA-O 3.33Å; Q461-N555 PolarHBondContact NE2-OD1 3.12Å; Q461-H557 HydrophobicContact CB-CB 4.24Å; Q461-H557 HydrophobicContact CG-CB 3.92Å; Q461-D600 HydrophobicContact CB-CB 4.43Å; Q461-D600 HydrophobicContact CG-CB 4.03Å
462	E	96.1	Very high	78.4	Confident	73 Å²	73	61.4 Å²	61.4	34%	0.341	30%	0.303	S	S	.	.	S	Bend	trans	52.3	28.6	-173.1	-47.9	-151.1	161.1	0	0	115.4	N428 T431 N464 G503 K537 H557	N428-E462 WeakPolarHBondContact OD1-CB 3.44Å; N428-E462 WeakPolarHBondContact OD1-CG 3.39Å; T431-E462 WeakPolarHBondContact CA-O 3.23Å; T431-E462 HydrophobicContact CG2-CB 4.34Å; T431-E462 WeakPolarHBondContact CG2-O 3.38Å; T431-E462 PolarHBondContact N-O 2.91Å; E462-N464 PolarHBondContact O-N 3.38Å; E462-G503 PolarHBondContact N-O 2.86Å; E462-K537 IonicContact OE1-NZ 2.68Å; E462-K537 PolarHBondContact OE1-NZ 2.89Å; E462-H557 VanDerWaalsContact CG-CE1 3.41Å; E462-H557 WeakPolarHBondContact CG-CE1 3.35Å; E462-H557 IonicContact OE1-CE1 2.71Å; E462-H557 PolarHBondContact OE1-CE1 2.56Å; E462-H557 IonicContact OE1-NE2 3.7Å
463	V	93.8	Very high	76.7	Confident	4 Å²	4	66 Å²	66	2%	0.024	32%	0.319	C	S	.	.			trans	-59.7	131.9	171.2	-176.2	0	0	0	0	110	V429 L460 Q461 S465 W480 G503 I505	V429-V463 HydrophobicContact CG2-CB 4.31Å; V429-V463 HydrophobicContact CG2-CG2 3.84Å; L460-V463 HydrophobicContact CB-CG2 3.43Å; L460-V463 VanDerWaalsContact CB-CG2 3.43Å; L460-V463 HydrophobicContact CD1-CG2 3.84Å; L460-V463 HydrophobicContact CG-CG2 4.29Å; Q461-V463 PolarHBondContact O-N 2.91Å; V463-S465 PolarHBondContact O-N 2.98Å; V463-S465 PolarHBondContact O-OG 3.4Å; V463-W480 HydrophobicContact CG1-CG 4.44Å; V463-G503 PolarHBondContact N-O 3.38Å; V463-G503 WeakPolarHBondContact O-CA 3.41Å; V463-I505 HydrophobicContact CB-CD1 3.79Å; V463-I505 HydrophobicContact CB-CG1 4.22Å; V463-I505 HydrophobicContact CG1-CD1 3.71Å; V463-I505 HydrophobicContact CG2-CD1 3.75Å; V463-I505 HydrophobicContact CG2-CG1 4Å
464	N	88	Confident	74.5	Confident	56 Å²	56	69.8 Å²	69.8	30%	0.299	35%	0.35	S	S	.	.			trans	-54.4	129.9	-178.4	-169.3	-18.9	0	0	0	110.5	E462 M466 R500	E462-N464 PolarHBondContact O-N 3.38Å; N464-M466 PolarHBondContact OD1-N 2.88Å; N464-M466 VanDerWaalsContact OD1-N 3.08Å; N464-R500 PolarHBondContact O-NH2 2.79Å
465	S	72.3	Confident	72.1	Confident	52 Å²	52	74.4 Å²	74.4	36%	0.364	38%	0.375	S	S	.	.			trans	-116.9	6.9	-170.9	-60.2	0	0	0	0	113.1	V463 I467 R500 Q502 G503	V463-S465 PolarHBondContact O-N 2.98Å; V463-S465 PolarHBondContact O-OG 3.4Å; S465-I467 VanDerWaalsContact C-N 3.27Å; S465-I467 PolarHBondContact O-N 3.13Å; S465-R500 PolarHBondContact OG-NH2 2.82Å; S465-R500 VanDerWaalsContact OG-NH2 3.1Å; S465-Q502 PolarHBondContact OG-O 3.15Å; S465-Q502 VanDerWaalsContact OG-O 3.08Å; S465-G503 PolarHBondContact OG-N 3.19Å
466	M	60.3	Low	69.8	Low	166 Å²	166	81.8 Å²	81.8	82%	0.818	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	2	-176	-65	-140	-69.1	0	0	115	N464	N464-M466 PolarHBondContact OD1-N 2.88Å; N464-M466 VanDerWaalsContact OD1-N 3.08Å
467	I	52.9	Low	68.3	Low	81 Å²	81	84.4 Å²	84.4	42%	0.415	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-38.6	-177.7	-71.6	170.4	0	0	0	112.1	S465 K469 R470	S465-I467 VanDerWaalsContact C-N 3.27Å; S465-I467 PolarHBondContact O-N 3.13Å; I467-K469 PolarHBondContact O-N 3.07Å; I467-R470 PolarHBondContact O-N 2.74Å; I467-R470 VanDerWaalsContact O-N 3.08Å
468	N	48.2	Very low	67.6	Low	105 Å²	105	85.3 Å²	85.3	56%	0.561	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	33.8	-172.9	-58.3	56	0	0	0	114.3	D473	N468-D473 PolarHBondContact ND2-OD1 2.73Å
469	K	44.3	Very low	67.2	Low	199 Å²	199	90.2 Å²	90.2	87%	0.865	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	2.2	158.1	-131.8	177.9	-174.5	-179.7	0	113.1	I467	I467-K469 PolarHBondContact O-N 3.07Å
470	R	43.5	Very low	67	Low	226 Å²	226	90.6 Å²	90.6	85%	0.853	45%	0.452	S	S	*	.	S	Bend	trans	-135.2	90.1	172.4	-70.3	-173.2	-179	-101.2	3	112.8	I467	I467-R470 PolarHBondContact O-N 2.74Å; I467-R470 VanDerWaalsContact O-N 3.08Å
471	L	46.1	Very low	66.8	Low	139 Å²	139	90.7 Å²	90.7	73%	0.728	45%	0.453	S	S	*	.	S	Bend	trans	66.1	107.5	144.9	-171.1	60.2	0	0	0	119.3
472	K	41.6	Very low	66.5	Low	121 Å²	121	93 Å²	93	53%	0.526	46%	0.464	S	S	.	.			trans	82	86.9	165.4	-58.1	173.9	-169.1	173.7	0	117.4	A474 L475	K472-A474 PolarHBondContact O-N 3.36Å; K472-L475 HydrophobicContact CD-CD1 3.93Å; K472-L475 PolarHBondContact O-N 3.08Å
473	D	44.7	Very low	66.4	Low	133 Å²	133	90.9 Å²	90.9	71%	0.711	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	41.7	165.7	-43.8	-95.7	0	0	0	114	N468	N468-D473 PolarHBondContact ND2-OD1 2.73Å
474	A	46.4	Very low	66.6	Low	89 Å²	89	90.7 Å²	90.7	74%	0.736	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-152.2	-5.6	-177.6	0	0	0	0	0	114.8	K472	K472-A474 PolarHBondContact O-N 3.36Å
475	L	46.4	Very low	66.9	Low	118 Å²	118	88.2 Å²	88.2	62%	0.618	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.3	-0.9	-177	-68.8	178.3	0	0	0	114.2	K472	K472-L475 HydrophobicContact CD-CD1 3.93Å; K472-L475 PolarHBondContact O-N 3.08Å
476	F	48.8	Very low	68	Low	155 Å²	155	90.1 Å²	90.1	68%	0.68	45%	0.446	S	S	*	.			trans	-132.6	87.6	177	-61.4	-63.6	0	0	0	109.2
477	T	68.1	Low	69.6	Low	55 Å²	55	83.2 Å²	83.2	34%	0.337	42%	0.415	S	S	.	.			trans	-54.8	146.2	153.5	-12.8	0	0	0	0	107.9	S481 E482 M485	T477-S481 VanDerWaalsContact CG2-CB 3.47Å; T477-E482 WeakPolarHBondContact CB-OE1 3.38Å; T477-E482 PolarHBondContact OG1-OE1 2.84Å; T477-M485 HydrophobicContact CG2-CE 4.05Å
478	D	83.8	Confident	71.6	Confident	20 Å²	20	79.3 Å²	79.3	11%	0.107	40%	0.395	C	S	.	.			trans	-66.7	156.4	178.3	50.4	75.7	0	0	0	111.8	W480 S481 E482 R500 I505	D478-W480 PolarHBondContact O-N 2.77Å; D478-W480 VanDerWaalsContact O-N 3.11Å; D478-S481 VanDerWaalsContact CG-OG 3.26Å; D478-S481 CarbonylContact O-C 3.58Å; D478-S481 WeakPolarHBondContact O-CA 3.12Å; D478-S481 WeakPolarHBondContact O-CB 3.34Å; D478-S481 PolarHBondContact O-N 3.38Å; D478-S481 WeakPolarHBondContact OD1-CB 3.41Å; D478-S481 PolarHBondContact OD1-N 3.18Å; D478-S481 PolarHBondContact OD1-OG 2.79Å; D478-S481 PolarHBondContact OD2-OG 2.93Å; D478-E482 PolarHBondContact O-N 3.25Å; D478-R500 VanDerWaalsContact CB-NH1 3.28Å; D478-R500 IonicContact OD2-CZ 2.69Å; D478-R500 IonicContact OD2-NH1 2.71Å; D478-R500 PolarHBondContact OD2-NH1 3.24Å; D478-I505 WeakPolarHBondContact OD2-CD1 3.46Å
479	Q	90.5	Very high	73.8	Confident	103 Å²	103	74.3 Å²	74.3	48%	0.481	37%	0.369	S	S	.	.	H	α-helix	trans	-62.7	-24.3	-172.2	-60.4	179.6	19.1	0	0	113.1	P434 L483	P434-Q479 HydrophobicContact CG-CB 3.89Å; Q479-L483 VanDerWaalsContact O-CB 3.31Å; Q479-L483 WeakPolarHBondContact O-CB 3.5Å; Q479-L483 PolarHBondContact O-N 2.94Å
480	W	94.4	Very high	76.1	Confident	7 Å²	7	69.4 Å²	69.4	3%	0.027	36%	0.357	C	S	.	.	H	α-helix	trans	-69.3	-44.7	170	-77.5	96.7	0	0	0	111.5	W427 V429 A432 M433 P434 L460 V463 D478 L483 F484 V715	W427-W480 HydrophobicContact CD2-CH2 4.45Å; W427-W480 AromaticContact CE3-CH2 3.88Å; W427-W480 HydrophobicContact CE3-CH2 3.88Å; W427-W480 AromaticContact CE3-CZ3 3.74Å; W427-W480 HydrophobicContact CE3-CZ3 3.74Å; W427-W480 AromaticContact CH2-CH2 3.74Å; W427-W480 HydrophobicContact CH2-CH2 3.74Å; W427-W480 HydrophobicContact CH2-CZ3 4.17Å; W427-W480 HydrophobicContact CZ2-CH2 4.32Å; W427-W480 AromaticContact CZ3-CH2 3.51Å; W427-W480 HydrophobicContact CZ3-CH2 3.51Å; W427-W480 AromaticContact CZ3-CZ3 3.47Å; W427-W480 HydrophobicContact CZ3-CZ3 3.47Å; W427-W480 VanDerWaalsContact CZ3-CZ3 3.47Å; V429-W480 HydrophobicContact CB-CH2 4.12Å; V429-W480 HydrophobicContact CB-CZ2 3.54Å; V429-W480 HydrophobicContact CG1-CD2 4.22Å; V429-W480 HydrophobicContact CG1-CE3 4.36Å; V429-W480 HydrophobicContact CG1-CH2 3.61Å; V429-W480 HydrophobicContact CG1-CZ2 3.47Å; V429-W480 VanDerWaalsContact CG1-CZ2 3.47Å; V429-W480 HydrophobicContact CG1-CZ3 4.07Å; V429-W480 HydrophobicContact CG2-CZ2 4.13Å; A432-W480 PolarHBondContact O-NE1 2.81Å; M433-W480 WeakPolarHBondContact O-CZ2 3.37Å; P434-W480 HydrophobicContact CB-CD2 4.04Å; P434-W480 HydrophobicContact CB-CE3 4.13Å; P434-W480 HydrophobicContact CB-CG 4.49Å; P434-W480 HydrophobicContact CB-CZ2 4.5Å; P434-W480 HydrophobicContact CB-CZ3 4.43Å; L460-W480 HydrophobicContact CD1-CB 3.73Å; L460-W480 HydrophobicContact CD1-CD2 4.34Å; L460-W480 HydrophobicContact CD1-CE3 4.38Å; L460-W480 HydrophobicContact CD1-CG 4.11Å; V463-W480 HydrophobicContact CG1-CG 4.44Å; D478-W480 PolarHBondContact O-N 2.77Å; D478-W480 VanDerWaalsContact O-N 3.11Å; W480-L483 HydrophobicContact CE3-CD2 4.45Å; W480-L483 PolarHBondContact O-N 3.26Å; W480-F484 AromaticContact CE3-CE2 3.86Å; W480-F484 HydrophobicContact CE3-CE2 3.86Å; W480-F484 HydrophobicContact CE3-CZ 4.24Å; W480-F484 HydrophobicContact CZ3-CE2 4.5Å; W480-F484 HydrophobicContact CZ3-CZ 4.44Å; W480-F484 WeakPolarHBondContact O-CD2 3.24Å; W480-F484 PolarHBondContact O-N 2.8Å; W480-F484 VanDerWaalsContact O-N 3.07Å; W480-V715 HydrophobicContact CH2-CG2 4.43Å
481	S	93.6	Very high	78.5	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.014	33%	0.333	C	S	.	.	H	α-helix	trans	-64.4	-40.9	174.5	-56	0	0	0	0	113	T477 D478 F484 M485	T477-S481 VanDerWaalsContact CG2-CB 3.47Å; D478-S481 VanDerWaalsContact CG-OG 3.26Å; D478-S481 CarbonylContact O-C 3.58Å; D478-S481 WeakPolarHBondContact O-CA 3.12Å; D478-S481 WeakPolarHBondContact O-CB 3.34Å; D478-S481 PolarHBondContact O-N 3.38Å; D478-S481 WeakPolarHBondContact OD1-CB 3.41Å; D478-S481 PolarHBondContact OD1-N 3.18Å; D478-S481 PolarHBondContact OD1-OG 2.79Å; D478-S481 PolarHBondContact OD2-OG 2.93Å; S481-F484 PolarHBondContact O-N 3.43Å; S481-M485 WeakPolarHBondContact O-CB 3.35Å; S481-M485 WeakPolarHBondContact O-CG 3.5Å; S481-M485 PolarHBondContact O-N 3.48Å
482	E	92.4	Very high	80.8	Confident	50 Å²	50	58.3 Å²	58.3	23%	0.234	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-48.4	173.2	-69.3	-61.3	148.6	0	0	111.6	T477 D478 F484 M485 D486 R778	T477-E482 WeakPolarHBondContact CB-OE1 3.38Å; T477-E482 PolarHBondContact OG1-OE1 2.84Å; D478-E482 PolarHBondContact O-N 3.25Å; E482-F484 VanDerWaalsContact C-N 3.27Å; E482-F484 PolarHBondContact O-N 3.36Å; E482-M485 HydrophobicContact CG-CE 4.32Å; E482-M485 CarbonylContact O-C 3.56Å; E482-M485 WeakPolarHBondContact O-CB 3.46Å; E482-M485 PolarHBondContact O-N 2.6Å; E482-M485 VanDerWaalsContact OE1-CE 3.23Å; E482-M485 WeakPolarHBondContact OE1-CE 3.48Å; E482-M485 WeakPolarHBondContact OE2-CE 3.45Å; E482-D486 PolarHBondContact O-N 2.91Å; E482-R778 IonicContact OE2-CZ 3.8Å; E482-R778 VanDerWaalsContact OE2-CZ 3.31Å; E482-R778 IonicContact OE2-NH1 3.17Å; E482-R778 PolarHBondContact OE2-NH1 2.77Å; E482-R778 IonicContact OE2-NH2 3.37Å; E482-R778 PolarHBondContact OE2-NH2 3.41Å
483	L	95.1	Very high	83.4	Confident	27 Å²	27	52.9 Å²	52.9	14%	0.141	29%	0.288	C	S	.	.	H	α-helix	trans	-51	-48.3	175	172.8	74.4	0	0	0	111.5	P434 P435 V438 Q479 W480 D486 A487	P434-L483 HydrophobicContact CB-CB 4.17Å; P434-L483 HydrophobicContact CB-CD2 3.56Å; P434-L483 HydrophobicContact CB-CG 4.35Å; P435-L483 HydrophobicContact CG-CD2 4.43Å; P435-L483 WeakPolarHBondContact O-CD1 3.44Å; V438-L483 HydrophobicContact CG1-CD2 3.73Å; V438-L483 HydrophobicContact CG2-CD1 4.39Å; V438-L483 HydrophobicContact CG2-CD2 4.06Å; V438-L483 HydrophobicContact CG2-CG 4.04Å; Q479-L483 VanDerWaalsContact O-CB 3.31Å; Q479-L483 WeakPolarHBondContact O-CB 3.5Å; Q479-L483 PolarHBondContact O-N 2.94Å; W480-L483 HydrophobicContact CE3-CD2 4.45Å; W480-L483 PolarHBondContact O-N 3.26Å; L483-D486 PolarHBondContact O-N 2.95Å; L483-A487 VanDerWaalsContact O-CB 3.26Å; L483-A487 WeakPolarHBondContact O-CB 3.15Å; L483-A487 PolarHBondContact O-N 2.91Å
484	F	96.7	Very high	85.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68.7	-34.9	-179.9	-72.2	-55.4	0	0	0	112.6	V438 L442 I458 L460 W480 S481 E482 L488 L507 F509	V438-F484 HydrophobicContact CB-CE1 3.95Å; V438-F484 HydrophobicContact CG1-CE1 3.81Å; V438-F484 HydrophobicContact CG1-CZ 4.26Å; V438-F484 HydrophobicContact CG2-CD1 3.92Å; V438-F484 HydrophobicContact CG2-CE1 3.84Å; L442-F484 HydrophobicContact CD1-CD1 3.86Å; L442-F484 HydrophobicContact CD1-CE1 4.03Å; I458-F484 HydrophobicContact CD1-CB 4.17Å; I458-F484 HydrophobicContact CD1-CD1 3.48Å; I458-F484 VanDerWaalsContact CD1-CD1 3.48Å; I458-F484 HydrophobicContact CD1-CD2 4.07Å; I458-F484 HydrophobicContact CD1-CE1 3.8Å; I458-F484 HydrophobicContact CD1-CE2 4.36Å; I458-F484 HydrophobicContact CD1-CG 3.64Å; I458-F484 HydrophobicContact CD1-CZ 4.24Å; I458-F484 HydrophobicContact CG2-CD2 4.27Å; I458-F484 HydrophobicContact CG2-CE1 4.49Å; I458-F484 HydrophobicContact CG2-CE2 3.82Å; I458-F484 HydrophobicContact CG2-CZ 3.94Å; L460-F484 HydrophobicContact CD1-CE2 4.08Å; L460-F484 HydrophobicContact CD2-CE2 4.13Å; W480-F484 AromaticContact CE3-CE2 3.86Å; W480-F484 HydrophobicContact CE3-CE2 3.86Å; W480-F484 HydrophobicContact CE3-CZ 4.24Å; W480-F484 HydrophobicContact CZ3-CE2 4.5Å; W480-F484 HydrophobicContact CZ3-CZ 4.44Å; W480-F484 WeakPolarHBondContact O-CD2 3.24Å; W480-F484 PolarHBondContact O-N 2.8Å; W480-F484 VanDerWaalsContact O-N 3.07Å; S481-F484 PolarHBondContact O-N 3.43Å; E482-F484 VanDerWaalsContact C-N 3.27Å; E482-F484 PolarHBondContact O-N 3.36Å; F484-L488 WeakPolarHBondContact O-CB 3.37Å; F484-L488 WeakPolarHBondContact O-CD1 3.45Å; F484-L488 VanDerWaalsContact O-CG 3.23Å; F484-L488 WeakPolarHBondContact O-CG 3.4Å; F484-L488 PolarHBondContact O-N 3.09Å; F484-L488 VanDerWaalsContact O-N 3.13Å; F484-L507 HydrophobicContact CB-CD1 4.19Å; F484-L507 HydrophobicContact CD2-CD1 3.82Å; F484-L507 HydrophobicContact CG-CD1 4.39Å; F484-F509 HydrophobicContact CB-CE2 3.98Å; F484-F509 HydrophobicContact CB-CZ 3.78Å
485	M	95.3	Very high	88.3	Confident	5 Å²	5	42.7 Å²	42.7	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-44	172.7	-78	-171.9	-57.1	0	0	112.4	T477 S481 E482 L488 G489 L495 F509 R778 H779	T477-M485 HydrophobicContact CG2-CE 4.05Å; S481-M485 WeakPolarHBondContact O-CB 3.35Å; S481-M485 WeakPolarHBondContact O-CG 3.5Å; S481-M485 PolarHBondContact O-N 3.48Å; E482-M485 HydrophobicContact CG-CE 4.32Å; E482-M485 CarbonylContact O-C 3.56Å; E482-M485 WeakPolarHBondContact O-CB 3.46Å; E482-M485 PolarHBondContact O-N 2.6Å; E482-M485 VanDerWaalsContact OE1-CE 3.23Å; E482-M485 WeakPolarHBondContact OE1-CE 3.48Å; E482-M485 WeakPolarHBondContact OE2-CE 3.45Å; M485-L488 PolarHBondContact O-N 3.2Å; M485-G489 PolarHBondContact O-N 3.13Å; M485-L495 HydrophobicContact CG-CB 4.35Å; M485-L495 HydrophobicContact CG-CD2 4.29Å; M485-L495 HydrophobicContact SD-CB 4.33Å; M485-L495 HydrophobicContact SD-CD2 3.75Å; M485-F509 HydrophobicContact CG-CE1 3.85Å; M485-F509 HydrophobicContact CG-CZ 4.07Å; M485-R778 HydrophobicContact CB-CB 3.93Å; M485-R778 HydrophobicContact CB-CG 4.47Å; M485-R778 HydrophobicContact CG-CB 4.33Å; M485-H779 HydrophobicContact SD-CB 4.28Å
486	D	94	Very high	90.7	Very high	92 Å²	92	38 Å²	38	49%	0.492	20%	0.198	S	C	.	.	H	α-helix	trans	-68.6	-41.1	179	-74.3	-33.6	0	0	0	112.5	E482 L483 L488 P490 R778	E482-D486 PolarHBondContact O-N 2.91Å; L483-D486 PolarHBondContact O-N 2.95Å; D486-L488 VanDerWaalsContact C-N 3.33Å; D486-L488 PolarHBondContact O-N 3.4Å; D486-P490 WeakPolarHBondContact O-CD 3.15Å; D486-R778 VanDerWaalsContact CG-NH1 3.29Å; D486-R778 WeakPolarHBondContact OD1-CD 3.32Å; D486-R778 IonicContact OD1-CZ 2.89Å; D486-R778 IonicContact OD1-NE 3.04Å; D486-R778 IonicContact OD1-NH1 2.84Å; D486-R778 PolarHBondContact OD1-NH1 2.84Å; D486-R778 IonicContact OD2-NH1 2.76Å
487	A	94.7	Very high	93	Very high	20 Å²	20	31.5 Å²	31.5	17%	0.165	17%	0.171	C	C	.	.	H	α-helix	trans	-68.4	-30.4	177.2	0	0	0	0	0	112.9	V438 L444 L483 F491	V438-A487 HydrophobicContact CG2-CB 3.68Å; L444-A487 WeakPolarHBondContact CD1-O 3.28Å; L483-A487 VanDerWaalsContact O-CB 3.26Å; L483-A487 WeakPolarHBondContact O-CB 3.15Å; L483-A487 PolarHBondContact O-N 2.91Å; A487-F491 VanDerWaalsContact O-CD2 3.28Å; A487-F491 WeakPolarHBondContact O-CD2 3.3Å
488	L	95.4	Very high	94.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-97.6	-30	-172.9	-72	174.3	0	0	0	114.6	L442 L444 I456 I458 F484 M485 D486 F491 F493 F509	L442-L488 HydrophobicContact CD1-CD1 4.42Å; L442-L488 HydrophobicContact CD1-CD2 4.07Å; L442-L488 HydrophobicContact CD1-CG 4.18Å; L444-L488 HydrophobicContact CD1-CD2 3.85Å; L444-L488 HydrophobicContact CD2-CD2 3.85Å; L444-L488 HydrophobicContact CG-CD2 4.41Å; I456-L488 HydrophobicContact CD1-CD1 4.43Å; I456-L488 HydrophobicContact CD1-CD2 3.64Å; I458-L488 HydrophobicContact CD1-CD1 4.41Å; F484-L488 WeakPolarHBondContact O-CB 3.37Å; F484-L488 WeakPolarHBondContact O-CD1 3.45Å; F484-L488 VanDerWaalsContact O-CG 3.23Å; F484-L488 WeakPolarHBondContact O-CG 3.4Å; F484-L488 PolarHBondContact O-N 3.09Å; F484-L488 VanDerWaalsContact O-N 3.13Å; M485-L488 PolarHBondContact O-N 3.2Å; D486-L488 VanDerWaalsContact C-N 3.33Å; D486-L488 PolarHBondContact O-N 3.4Å; L488-F491 CarbonylContact O-C 3.57Å; L488-F491 WeakPolarHBondContact O-CA 3.47Å; L488-F491 PolarHBondContact O-N 3.07Å; L488-F493 HydrophobicContact CB-CB 3.81Å; L488-F493 HydrophobicContact CB-CG 4.46Å; L488-F493 HydrophobicContact CD2-CD2 4.03Å; L488-F493 HydrophobicContact CD2-CE2 4.46Å; L488-F493 HydrophobicContact CD2-CG 4.34Å; L488-F493 PolarHBondContact O-N 3.31Å; L488-F509 HydrophobicContact CB-CD1 4.38Å; L488-F509 HydrophobicContact CB-CE1 4.47Å; L488-F509 HydrophobicContact CD1-CB 4.21Å; L488-F509 HydrophobicContact CD1-CD1 3.78Å; L488-F509 HydrophobicContact CD1-CD2 3.64Å; L488-F509 HydrophobicContact CD1-CE1 3.95Å; L488-F509 HydrophobicContact CD1-CE2 3.82Å; L488-F509 HydrophobicContact CD1-CG 3.62Å; L488-F509 HydrophobicContact CD1-CZ 3.98Å
489	G	94.4	Very high	94.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-50.5	-48.5	178.1	0	0	0	0	0	114.3	M485 F491 N492 G776	M485-G489 PolarHBondContact O-N 3.13Å; G489-F491 PolarHBondContact O-N 3.48Å; G489-N492 PolarHBondContact O-N 3Å; G489-G776 WeakPolarHBondContact O-CA 3.23Å
490	P	92.8	Very high	95	Very high	96 Å²	96	30.3 Å²	30.3	62%	0.623	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-59.5	-18	176.1	-26.4	36.1	0	0	0	115.2	D486	D486-P490 WeakPolarHBondContact O-CD 3.15Å
491	F	92.7	Very high	94.9	Very high	79 Å²	79	30.1 Å²	30.1	35%	0.346	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-100.9	24.1	176.2	-59.5	-85.5	0	0	0	112.3	L444 A487 L488 G489 F493	L444-F491 HydrophobicContact CB-CD2 4.22Å; L444-F491 HydrophobicContact CB-CE1 4.22Å; L444-F491 HydrophobicContact CB-CE2 3.81Å; L444-F491 HydrophobicContact CB-CZ 3.81Å; L444-F491 HydrophobicContact CD1-CD2 3.96Å; L444-F491 HydrophobicContact CD1-CE2 3.97Å; L444-F491 HydrophobicContact CD2-CB 4.28Å; L444-F491 HydrophobicContact CD2-CD1 4.4Å; L444-F491 HydrophobicContact CD2-CD2 3.94Å; L444-F491 HydrophobicContact CD2-CE2 4.4Å; L444-F491 HydrophobicContact CD2-CG 3.94Å; L444-F491 HydrophobicContact CG-CD2 4.24Å; L444-F491 HydrophobicContact CG-CE2 4.26Å; A487-F491 VanDerWaalsContact O-CD2 3.28Å; A487-F491 WeakPolarHBondContact O-CD2 3.3Å; L488-F491 CarbonylContact O-C 3.57Å; L488-F491 WeakPolarHBondContact O-CA 3.47Å; L488-F491 PolarHBondContact O-N 3.07Å; G489-F491 PolarHBondContact O-N 3.48Å; F491-F493 HydrophobicContact CB-CD2 3.97Å; F491-F493 HydrophobicContact CB-CE2 4.35Å; F491-F493 WeakPolarHBondContact O-CD2 3.43Å; F491-F493 PolarHBondContact O-N 2.98Å
492	N	94.3	Very high	94.7	Very high	53 Å²	53	33.1 Å²	33.1	28%	0.283	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	15.6	176.7	-71.2	-37.9	0	0	0	115.6	G489 K511 Y512	G489-N492 PolarHBondContact O-N 3Å; N492-K511 CarbonylContact O-C 3.57Å; N492-K511 VanDerWaalsContact O-CA 3.23Å; N492-K511 WeakPolarHBondContact O-CA 3.43Å; N492-Y512 HydrophobicContact CB-CD1 3.81Å; N492-Y512 HydrophobicContact CB-CE1 3.95Å; N492-Y512 PolarHBondContact O-N 3.47Å
493	F	96.9	Very high	94.6	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.026	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	135.2	177.7	-79.5	-85.2	0	0	0	112.8	A453 D454 I456 L488 F491 F509 K511	A453-F493 HydrophobicContact CB-CZ 4.15Å; A453-F493 VanDerWaalsContact O-CZ 3.3Å; A453-F493 WeakPolarHBondContact O-CZ 2.93Å; D454-F493 WeakPolarHBondContact O-CE1 3.32Å; I456-F493 HydrophobicContact CD1-CD1 4.42Å; I456-F493 HydrophobicContact CD1-CE1 3.86Å; I456-F493 HydrophobicContact CD1-CE2 3.98Å; I456-F493 HydrophobicContact CD1-CZ 3.6Å; I456-F493 HydrophobicContact CG1-CD1 4.46Å; I456-F493 HydrophobicContact CG1-CE1 3.72Å; I456-F493 HydrophobicContact CG1-CZ 3.84Å; L488-F493 HydrophobicContact CB-CB 3.81Å; L488-F493 HydrophobicContact CB-CG 4.46Å; L488-F493 HydrophobicContact CD2-CD2 4.03Å; L488-F493 HydrophobicContact CD2-CE2 4.46Å; L488-F493 HydrophobicContact CD2-CG 4.34Å; L488-F493 PolarHBondContact O-N 3.31Å; F491-F493 HydrophobicContact CB-CD2 3.97Å; F491-F493 HydrophobicContact CB-CE2 4.35Å; F491-F493 WeakPolarHBondContact O-CD2 3.43Å; F491-F493 PolarHBondContact O-N 2.98Å; F493-F509 HydrophobicContact CB-CB 4.43Å; F493-F509 HydrophobicContact CD1-CB 4.03Å; F493-K511 HydrophobicContact CD1-CG 4.01Å; F493-K511 HydrophobicContact CD2-CG 4.16Å; F493-K511 HydrophobicContact CE1-CG 3.89Å; F493-K511 HydrophobicContact CE2-CG 4.05Å; F493-K511 HydrophobicContact CG-CG 4.15Å; F493-K511 HydrophobicContact CZ-CG 3.91Å
494	V	97.1	Very high	94.7	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.018	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	137.3	176.9	-171.9	0	0	0	0	109	V496 F509 A510 L515 F777 R778	V494-V496 PolarHBondContact O-N 2.81Å; V494-V496 VanDerWaalsContact O-N 3.14Å; V494-F509 VanDerWaalsContact O-CA 3.29Å; V494-F509 WeakPolarHBondContact O-CA 3.23Å; V494-A510 PolarHBondContact N-O 2.9Å; V494-A510 PolarHBondContact O-N 3.27Å; V494-L515 HydrophobicContact CB-CD1 4.13Å; V494-L515 HydrophobicContact CG1-CD1 4.34Å; V494-L515 HydrophobicContact CG2-CD1 4.11Å; V494-F777 HydrophobicContact CB-CE2 4.35Å; V494-F777 HydrophobicContact CG1-CD2 4.22Å; V494-F777 HydrophobicContact CG1-CE2 3.79Å; V494-F777 HydrophobicContact CG2-CD2 4.06Å; V494-F777 HydrophobicContact CG2-CE1 4.24Å; V494-F777 HydrophobicContact CG2-CE2 3.53Å; V494-F777 HydrophobicContact CG2-CZ 3.64Å; V494-R778 CarbonylContact C-O 3.57Å; V494-R778 WeakPolarHBondContact CA-O 3.11Å
495	L	97.8	Very high	94.7	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.031	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	106.8	170.4	-179	63.2	0	0	0	109.4	M485 S497 T498 L507 F509 R778	M485-L495 HydrophobicContact CG-CB 4.35Å; M485-L495 HydrophobicContact CG-CD2 4.29Å; M485-L495 HydrophobicContact SD-CB 4.33Å; M485-L495 HydrophobicContact SD-CD2 3.75Å; L495-S497 WeakPolarHBondContact CD1-O 3.19Å; L495-T498 HydrophobicContact CD2-CG2 4.39Å; L495-L507 HydrophobicContact CD1-CB 4.09Å; L495-L507 HydrophobicContact CD1-CD2 4.22Å; L495-F509 HydrophobicContact CB-CD1 4Å; L495-F509 HydrophobicContact CB-CE1 3.77Å; L495-F509 HydrophobicContact CB-CZ 4.39Å; L495-F509 HydrophobicContact CD1-CD1 4.34Å; L495-F509 HydrophobicContact CD1-CD2 4.31Å; L495-F509 HydrophobicContact CD1-CE1 4.06Å; L495-F509 HydrophobicContact CD1-CE2 4.03Å; L495-F509 HydrophobicContact CD1-CG 4.46Å; L495-F509 HydrophobicContact CD1-CZ 3.9Å; L495-F509 HydrophobicContact CG-CE1 4.46Å; L495-R778 PolarHBondContact N-O 3.28Å
496	V	97	Very high	94.9	Very high	20 Å²	20	29.7 Å²	29.7	12%	0.121	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	-42.6	-179.6	-176.6	0	0	0	0	111	V494 L508 A510 L515 L518 V521 L544 I826	V494-V496 PolarHBondContact O-N 2.81Å; V494-V496 VanDerWaalsContact O-N 3.14Å; V496-L508 WeakPolarHBondContact CA-O 3.26Å; V496-L508 WeakPolarHBondContact CB-O 3.44Å; V496-L508 PolarHBondContact N-O 3.4Å; V496-A510 HydrophobicContact CG2-CB 3.7Å; V496-L515 HydrophobicContact CG2-CD2 3.63Å; V496-L518 HydrophobicContact CG1-CD1 4.25Å; V496-L518 HydrophobicContact CG2-CD1 4.08Å; V496-V521 HydrophobicContact CG1-CG2 4.34Å; V496-L544 HydrophobicContact CG1-CD2 4.39Å; V496-I826 HydrophobicContact CG1-CD1 3.63Å; V496-I826 HydrophobicContact CG1-CG1 4.3Å
497	S	96.2	Very high	95.1	Very high	17 Å²	17	25.3 Å²	25.3	12%	0.119	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	151.6	-176.4	-161.4	0	0	0	0	111.6	L495 L508 T523	L495-S497 WeakPolarHBondContact CD1-O 3.19Å; S497-L508 PolarHBondContact N-O 2.88Å; S497-L508 PolarHBondContact O-N 3.27Å; S497-T523 VanDerWaalsContact OG-CG2 3.29Å; S497-T523 WeakPolarHBondContact OG-CG2 3.35Å
498	T	95.7	Very high	95.3	Very high	62 Å²	62	24.3 Å²	24.3	38%	0.38	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	138.3	173.2	175.2	0	0	0	0	110	L495 L506 L507	L495-T498 HydrophobicContact CD2-CG2 4.39Å; T498-L506 WeakPolarHBondContact CA-O 3.48Å; T498-L507 VanDerWaalsContact OG1-CD2 3.32Å; T498-L507 WeakPolarHBondContact OG1-CD2 3.49Å
499	V	95.2	Very high	95.4	Very high	14 Å²	14	24.4 Å²	24.4	9%	0.085	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.9	174.4	59.6	0	0	0	0	109.9	I505 L506 T523 V540 V542	V499-I505 CarbonylContact O-C 3.56Å; V499-I505 WeakPolarHBondContact O-CA 3.35Å; V499-L506 HydrophobicContact CG1-CB 3.81Å; V499-L506 HydrophobicContact CG1-CG 4.45Å; V499-L506 PolarHBondContact N-O 2.7Å; V499-L506 PolarHBondContact O-N 3.11Å; V499-T523 HydrophobicContact CB-CG2 4.21Å; V499-V540 HydrophobicContact CG1-CB 3.84Å; V499-V540 HydrophobicContact CG1-CG2 3.98Å; V499-V540 HydrophobicContact CG2-CB 4.13Å; V499-V542 HydrophobicContact CG1-CG2 3.84Å
500	R	93.2	Very high	95.6	Very high	77 Å²	77	24.4 Å²	24.4	29%	0.291	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131	-173.3	178.3	161.1	-172.3	167.7	1.4	112.5	N464 S465 D478 Q502 V504 I505	N464-R500 PolarHBondContact O-NH2 2.79Å; S465-R500 PolarHBondContact OG-NH2 2.82Å; S465-R500 VanDerWaalsContact OG-NH2 3.1Å; D478-R500 VanDerWaalsContact CB-NH1 3.28Å; D478-R500 IonicContact OD2-CZ 2.69Å; D478-R500 IonicContact OD2-NH1 2.71Å; D478-R500 PolarHBondContact OD2-NH1 3.24Å; R500-Q502 VanDerWaalsContact CZ-O 3.3Å; R500-Q502 PolarHBondContact NE-O 3.45Å; R500-Q502 PolarHBondContact NH2-O 2.92Å; R500-V504 WeakPolarHBondContact CA-O 3.33Å; R500-I505 HydrophobicContact CB-CG1 4.42Å; R500-I505 HydrophobicContact CG-CD1 4.38Å; R500-I505 HydrophobicContact CG-CG1 3.96Å
501	M	91.9	Very high	95.7	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.02	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	95.4	175.8	-177.1	-177.5	68.8	0	0	109.1	G503 V504 C525 R527 V540	M501-G503 PolarHBondContact O-N 3.42Å; M501-V504 HydrophobicContact CE-CB 4.28Å; M501-V504 HydrophobicContact CE-CG2 4.09Å; M501-V504 PolarHBondContact N-O 2.88Å; M501-V504 PolarHBondContact O-N 2.96Å; M501-C525 HydrophobicContact CB-CB 4.32Å; M501-C525 HydrophobicContact SD-CB 4.22Å; M501-R527 HydrophobicContact CG-CG 4.07Å; M501-R527 HydrophobicContact SD-CB 4.25Å; M501-R527 HydrophobicContact SD-CG 3.51Å; M501-R527 VanDerWaalsContact SD-CG 3.51Å; M501-V540 HydrophobicContact CB-CG1 3.41Å; M501-V540 VanDerWaalsContact CB-CG1 3.41Å; M501-V540 HydrophobicContact CE-CG1 4.21Å; M501-V540 HydrophobicContact CG-CG1 4.48Å; M501-V540 HydrophobicContact SD-CG1 4.42Å
502	Q	89.4	Confident	95.9	Very high	65 Å²	65	18.3 Å²	18.3	30%	0.304	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	-109.2	-168.7	-63.5	-175.1	-2.3	0	0	111.9	S465 R500 W534 G535 N536	S465-Q502 PolarHBondContact OG-O 3.15Å; S465-Q502 VanDerWaalsContact OG-O 3.08Å; R500-Q502 VanDerWaalsContact CZ-O 3.3Å; R500-Q502 PolarHBondContact NE-O 3.45Å; R500-Q502 PolarHBondContact NH2-O 2.92Å; Q502-W534 VanDerWaalsContact NE2-CD2 3.3Å; Q502-G535 VanDerWaalsContact NE2-N 3.17Å; Q502-N536 VanDerWaalsContact OE1-N 3.07Å
503	G	91.8	Very high	95.9	Very high	8 Å²	8	19.8 Å²	19.8	8%	0.082	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	2.1	179.3	0	0	0	0	0	115	Q461 E462 V463 S465 M501	Q461-G503 CarbonylContact C-O 3.57Å; Q461-G503 VanDerWaalsContact C-O 3.25Å; Q461-G503 WeakPolarHBondContact CA-O 3.33Å; E462-G503 PolarHBondContact N-O 2.86Å; V463-G503 PolarHBondContact N-O 3.38Å; V463-G503 WeakPolarHBondContact O-CA 3.41Å; S465-G503 PolarHBondContact OG-N 3.19Å; M501-G503 PolarHBondContact O-N 3.42Å
504	V	96.2	Very high	95.9	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	125	172.5	-168.4	0	0	0	0	108.3	L460 R500 M501 V540 H557	L460-V504 WeakPolarHBondContact O-CA 3.41Å; R500-V504 WeakPolarHBondContact CA-O 3.33Å; M501-V504 HydrophobicContact CE-CB 4.28Å; M501-V504 HydrophobicContact CE-CG2 4.09Å; M501-V504 PolarHBondContact N-O 2.88Å; M501-V504 PolarHBondContact O-N 2.96Å; V504-V540 HydrophobicContact CB-CG1 4.36Å; V504-V540 HydrophobicContact CG1-CG1 4.16Å; V504-V540 HydrophobicContact CG1-CG2 3.9Å; V504-H557 HydrophobicContact CG2-CB 3.68Å
505	I	96.8	Very high	95.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	140	-178.6	-46.9	-173.7	0	0	0	109.1	G459 L460 V463 D478 V499 R500 L507 N555	G459-I505 CarbonylContact C-O 3.59Å; G459-I505 WeakPolarHBondContact CA-O 3.07Å; L460-I505 HydrophobicContact CB-CB 4.31Å; L460-I505 PolarHBondContact N-O 2.98Å; L460-I505 PolarHBondContact O-N 2.86Å; V463-I505 HydrophobicContact CB-CD1 3.79Å; V463-I505 HydrophobicContact CB-CG1 4.22Å; V463-I505 HydrophobicContact CG1-CD1 3.71Å; V463-I505 HydrophobicContact CG2-CD1 3.75Å; V463-I505 HydrophobicContact CG2-CG1 4Å; D478-I505 WeakPolarHBondContact OD2-CD1 3.46Å; V499-I505 CarbonylContact O-C 3.56Å; V499-I505 WeakPolarHBondContact O-CA 3.35Å; R500-I505 HydrophobicContact CB-CG1 4.42Å; R500-I505 HydrophobicContact CG-CD1 4.38Å; R500-I505 HydrophobicContact CG-CG1 3.96Å; I505-L507 HydrophobicContact CG2-CD2 3.95Å; I505-L507 HydrophobicContact CG2-CG 4.19Å; I505-N555 PolarHBondContact O-ND2 2.77Å
506	L	98.6	Very high	95.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	119.5	164.6	171.2	56.8	0	0	0	109	A457 I458 T498 V499 V540 V542 F553 N555 F598	A457-L506 HydrophobicContact CB-CD1 4.41Å; I458-L506 WeakPolarHBondContact O-CA 3.28Å; T498-L506 WeakPolarHBondContact CA-O 3.48Å; V499-L506 HydrophobicContact CG1-CB 3.81Å; V499-L506 HydrophobicContact CG1-CG 4.45Å; V499-L506 PolarHBondContact N-O 2.7Å; V499-L506 PolarHBondContact O-N 3.11Å; L506-V540 HydrophobicContact CB-CG2 3.73Å; L506-V542 HydrophobicContact CD2-CB 4.22Å; L506-V542 HydrophobicContact CD2-CG2 3.82Å; L506-V542 HydrophobicContact CG-CG2 3.93Å; L506-F553 HydrophobicContact CD2-CB 3.89Å; L506-F553 VanDerWaalsContact CD2-O 3.29Å; L506-F553 WeakPolarHBondContact CD2-O 3.47Å; L506-N555 HydrophobicContact CB-CB 4.1Å; L506-N555 HydrophobicContact CD2-CB 4.4Å; L506-F598 HydrophobicContact CD1-CE2 4.02Å; L506-F598 HydrophobicContact CD1-CZ 3.67Å; L506-F598 HydrophobicContact CD2-CZ 4.45Å
507	L	98.4	Very high	95.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	137.3	171.2	-53.6	174.4	0	0	0	108.8	A457 I458 F484 L495 T498 I505 F509	A457-L507 WeakPolarHBondContact CA-O 3.32Å; I458-L507 HydrophobicContact CB-CB 4.35Å; I458-L507 PolarHBondContact N-O 3.26Å; I458-L507 PolarHBondContact O-N 3.4Å; F484-L507 HydrophobicContact CB-CD1 4.19Å; F484-L507 HydrophobicContact CD2-CD1 3.82Å; F484-L507 HydrophobicContact CG-CD1 4.39Å; L495-L507 HydrophobicContact CD1-CB 4.09Å; L495-L507 HydrophobicContact CD1-CD2 4.22Å; T498-L507 VanDerWaalsContact OG1-CD2 3.32Å; T498-L507 WeakPolarHBondContact OG1-CD2 3.49Å; I505-L507 HydrophobicContact CG2-CD2 3.95Å; I505-L507 HydrophobicContact CG2-CG 4.19Å; L507-F509 HydrophobicContact CB-CD2 4.25Å; L507-F509 HydrophobicContact CB-CE2 3.68Å; L507-F509 HydrophobicContact CD1-CE2 4.05Å; L507-F509 HydrophobicContact CD1-CZ 4.42Å; L507-F509 HydrophobicContact CG-CE2 4.47Å
508	L	98.6	Very high	95.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	115	174.1	-171.9	64	0	0	0	109.9	M455 A457 V496 S497 V542 L544 F553	M455-L508 HydrophobicContact CG-CD1 3.84Å; M455-L508 HydrophobicContact SD-CD1 3.99Å; A457-L508 HydrophobicContact CB-CD1 3.73Å; V496-L508 WeakPolarHBondContact CA-O 3.26Å; V496-L508 WeakPolarHBondContact CB-O 3.44Å; V496-L508 PolarHBondContact N-O 3.4Å; S497-L508 PolarHBondContact N-O 2.88Å; S497-L508 PolarHBondContact O-N 3.27Å; L508-V542 HydrophobicContact CB-CG1 4.48Å; L508-V542 HydrophobicContact CD2-CB 4.34Å; L508-V542 HydrophobicContact CD2-CG1 3.67Å; L508-L544 HydrophobicContact CD2-CD2 3.63Å; L508-L544 HydrophobicContact CD2-CG 4.37Å; L508-F553 HydrophobicContact CD1-CD2 4.07Å; L508-F553 HydrophobicContact CD1-CE1 4.34Å; L508-F553 HydrophobicContact CD1-CE2 3.84Å; L508-F553 HydrophobicContact CD1-CG 4.42Å; L508-F553 HydrophobicContact CD1-CZ 3.98Å; L508-F553 HydrophobicContact CD2-CD2 3.99Å; L508-F553 HydrophobicContact CD2-CE2 3.96Å
509	F	98.5	Very high	95.3	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	146.4	177.7	-64.7	-96.9	0	0	0	110.5	M455 I456 I458 F484 M485 L488 F493 V494 L495 L507	M455-F509 CarbonylContact C-O 3.51Å; M455-F509 VanDerWaalsContact CA-O 3.28Å; M455-F509 WeakPolarHBondContact CA-O 3.47Å; M455-F509 WeakPolarHBondContact CG-O 3.13Å; I456-F509 HydrophobicContact CB-CB 4.42Å; I456-F509 PolarHBondContact N-O 3.03Å; I456-F509 PolarHBondContact O-N 3.01Å; I458-F509 HydrophobicContact CD1-CD2 4.33Å; I458-F509 HydrophobicContact CD1-CE2 4.09Å; F484-F509 HydrophobicContact CB-CE2 3.98Å; F484-F509 HydrophobicContact CB-CZ 3.78Å; M485-F509 HydrophobicContact CG-CE1 3.85Å; M485-F509 HydrophobicContact CG-CZ 4.07Å; L488-F509 HydrophobicContact CB-CD1 4.38Å; L488-F509 HydrophobicContact CB-CE1 4.47Å; L488-F509 HydrophobicContact CD1-CB 4.21Å; L488-F509 HydrophobicContact CD1-CD1 3.78Å; L488-F509 HydrophobicContact CD1-CD2 3.64Å; L488-F509 HydrophobicContact CD1-CE1 3.95Å; L488-F509 HydrophobicContact CD1-CE2 3.82Å; L488-F509 HydrophobicContact CD1-CG 3.62Å; L488-F509 HydrophobicContact CD1-CZ 3.98Å; F493-F509 HydrophobicContact CB-CB 4.43Å; F493-F509 HydrophobicContact CD1-CB 4.03Å; V494-F509 VanDerWaalsContact O-CA 3.29Å; V494-F509 WeakPolarHBondContact O-CA 3.23Å; L495-F509 HydrophobicContact CB-CD1 4Å; L495-F509 HydrophobicContact CB-CE1 3.77Å; L495-F509 HydrophobicContact CB-CZ 4.39Å; L495-F509 HydrophobicContact CD1-CD1 4.34Å; L495-F509 HydrophobicContact CD1-CD2 4.31Å; L495-F509 HydrophobicContact CD1-CE1 4.06Å; L495-F509 HydrophobicContact CD1-CE2 4.03Å; L495-F509 HydrophobicContact CD1-CG 4.46Å; L495-F509 HydrophobicContact CD1-CZ 3.9Å; L495-F509 HydrophobicContact CG-CE1 4.46Å; L507-F509 HydrophobicContact CB-CD2 4.25Å; L507-F509 HydrophobicContact CB-CE2 3.68Å; L507-F509 HydrophobicContact CD1-CE2 4.05Å; L507-F509 HydrophobicContact CD1-CZ 4.42Å; L507-F509 HydrophobicContact CG-CE2 4.47Å
510	A	98.1	Very high	95.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153.4	167.9	0	0	0	0	0	109.8	D454 M455 V494 V496 L515 L518	D454-A510 WeakPolarHBondContact O-CA 3.23Å; M455-A510 HydrophobicContact CB-CB 4.48Å; M455-A510 HydrophobicContact CE-CB 4.08Å; V494-A510 PolarHBondContact N-O 2.9Å; V494-A510 PolarHBondContact O-N 3.27Å; V496-A510 HydrophobicContact CG2-CB 3.7Å; A510-L515 HydrophobicContact CB-CD2 4.26Å; A510-L518 HydrophobicContact CB-CD1 3.77Å
511	K	96.4	Very high	95.1	Very high	32 Å²	32	19 Å²	19	14%	0.139	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	142.8	175	-67.4	179	177.1	155.4	0	111.2	A453 D454 N492 F493 Y513 H514	A453-K511 WeakPolarHBondContact O-CE 3.37Å; A453-K511 PolarHBondContact O-NZ 2.87Å; D454-K511 PolarHBondContact O-N 3.08Å; D454-K511 IonicContact OD1-NZ 3.31Å; N492-K511 CarbonylContact O-C 3.57Å; N492-K511 VanDerWaalsContact O-CA 3.23Å; N492-K511 WeakPolarHBondContact O-CA 3.43Å; F493-K511 HydrophobicContact CD1-CG 4.01Å; F493-K511 HydrophobicContact CD2-CG 4.16Å; F493-K511 HydrophobicContact CE1-CG 3.89Å; F493-K511 HydrophobicContact CE2-CG 4.05Å; F493-K511 HydrophobicContact CG-CG 4.15Å; F493-K511 HydrophobicContact CZ-CG 3.91Å; K511-Y513 HydrophobicContact CB-CD1 4.15Å; K511-Y513 HydrophobicContact CB-CE1 3.85Å; K511-Y513 HydrophobicContact CB-CE2 4.34Å; K511-Y513 HydrophobicContact CD-CE1 3.71Å; K511-Y513 HydrophobicContact CD-CE2 4.31Å; K511-Y513 VanDerWaalsContact CD-CZ 3.45Å; K511-Y513 WeakPolarHBondContact CD-OH 3.27Å; K511-Y513 HydrophobicContact CG-CE1 4.39Å; K511-Y513 PolarHBondContact NZ-OH 2.69Å; K511-Y513 PolarHBondContact O-N 3.4Å; K511-Y513 VanDerWaalsContact O-N 3.09Å; K511-H514 PolarHBondContact O-N 2.85Å
512	Y	95.6	Very high	95.3	Very high	15 Å²	15	21.3 Å²	21.3	6%	0.059	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-54.2	-37	-170.9	76.7	-96.4	0	0	0	113.2	N492 H514 L515 F777 I816 V830 E832	N492-Y512 HydrophobicContact CB-CD1 3.81Å; N492-Y512 HydrophobicContact CB-CE1 3.95Å; N492-Y512 PolarHBondContact O-N 3.47Å; Y512-H514 PolarHBondContact O-N 3.1Å; Y512-L515 WeakPolarHBondContact O-CB 3.34Å; Y512-L515 VanDerWaalsContact O-CG 3.27Å; Y512-L515 WeakPolarHBondContact O-CG 3.31Å; Y512-L515 PolarHBondContact O-N 3.4Å; Y512-F777 HydrophobicContact CG-CE1 4.42Å; Y512-I816 HydrophobicContact CD1-CD1 3.91Å; Y512-I816 HydrophobicContact CD2-CD1 3.81Å; Y512-I816 HydrophobicContact CD2-CG2 4.37Å; Y512-I816 HydrophobicContact CE1-CD1 3.78Å; Y512-I816 HydrophobicContact CE2-CD1 3.7Å; Y512-I816 HydrophobicContact CE2-CG1 4.35Å; Y512-I816 HydrophobicContact CG-CD1 3.96Å; Y512-V830 HydrophobicContact CD2-CG2 4.1Å; Y512-E832 PolarHBondContact OH-OE2 2.81Å
513	Y	94.6	Very high	95.7	Very high	84 Å²	84	21.3 Å²	21.3	33%	0.329	10%	0.104	S	C	.	.	G	3₁₀ helix	trans	-70.8	-15.3	-178.6	56.1	-105.1	0	0	0	114	K511 F517	K511-Y513 HydrophobicContact CB-CD1 4.15Å; K511-Y513 HydrophobicContact CB-CE1 3.85Å; K511-Y513 HydrophobicContact CB-CE2 4.34Å; K511-Y513 HydrophobicContact CD-CE1 3.71Å; K511-Y513 HydrophobicContact CD-CE2 4.31Å; K511-Y513 VanDerWaalsContact CD-CZ 3.45Å; K511-Y513 WeakPolarHBondContact CD-OH 3.27Å; K511-Y513 HydrophobicContact CG-CE1 4.39Å; K511-Y513 PolarHBondContact NZ-OH 2.69Å; K511-Y513 PolarHBondContact O-N 3.4Å; K511-Y513 VanDerWaalsContact O-N 3.09Å; Y513-F517 WeakPolarHBondContact O-CE2 3.37Å
514	H	95.9	Very high	96	Very high	20 Å²	20	23.2 Å²	23.2	9%	0.093	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-87.2	-18.2	173	-68.3	-51.8	0	0	0	113.5	F420 D454 K511 Y512 P516 F517 F547	F420-H514 HydrophobicContact CE2-CB 4.44Å; F420-H514 AromaticContact CE2-CD2 3.75Å; F420-H514 AromaticContact CE2-CG 3.87Å; F420-H514 AromaticContact CE2-NE2 3.84Å; D454-H514 WeakPolarHBondContact CB-NE2 3.32Å; D454-H514 VanDerWaalsContact CG-NE2 3.26Å; D454-H514 IonicContact OD1-CD2 3.87Å; D454-H514 IonicContact OD1-CE1 3.91Å; D454-H514 IonicContact OD1-NE2 3.85Å; D454-H514 PolarHBondContact OD1-NE2 2.71Å; K511-H514 PolarHBondContact O-N 2.85Å; Y512-H514 PolarHBondContact O-N 3.1Å; H514-P516 VanDerWaalsContact C-CD 3.41Å; H514-F517 PolarHBondContact O-N 3.44Å; H514-F517 VanDerWaalsContact O-N 3.1Å; H514-F547 AromaticContact ND1-CZ 3.66Å
515	L	96.3	Very high	96	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-55.3	-39.7	-173.6	-58.4	177	0	0	0	114.7	V494 V496 A510 Y512 F517 L518 I826 L827	V494-L515 HydrophobicContact CB-CD1 4.13Å; V494-L515 HydrophobicContact CG1-CD1 4.34Å; V494-L515 HydrophobicContact CG2-CD1 4.11Å; V496-L515 HydrophobicContact CG2-CD2 3.63Å; A510-L515 HydrophobicContact CB-CD2 4.26Å; Y512-L515 WeakPolarHBondContact O-CB 3.34Å; Y512-L515 VanDerWaalsContact O-CG 3.27Å; Y512-L515 WeakPolarHBondContact O-CG 3.31Å; Y512-L515 PolarHBondContact O-N 3.4Å; L515-F517 PolarHBondContact O-N 3.32Å; L515-L518 HydrophobicContact CD2-CD1 4.15Å; L515-L518 PolarHBondContact O-N 2.92Å; L515-I826 HydrophobicContact CD2-CD1 4.41Å; L515-L827 CarbonylContact C-O 3.53Å; L515-L827 HydrophobicContact CB-CB 4.32Å; L515-L827 HydrophobicContact CD1-CB 4.11Å; L515-L827 HydrophobicContact CD1-CD1 3.89Å; L515-L827 HydrophobicContact CD1-CG 4.4Å
516	P	95	Very high	96	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.032	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-61.2	-17.7	179	-23.8	35.2	0	0	0	115.2	H514 P736 V830	H514-P516 VanDerWaalsContact C-CD 3.41Å; P516-P736 HydrophobicContact CB-CB 3.56Å; P516-V830 HydrophobicContact CG-CG1 4.44Å; P516-V830 HydrophobicContact CG-CG2 3.84Å
517	F	94.3	Very high	95.9	Very high	35 Å²	35	32.5 Å²	32.5	15%	0.154	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-103.7	2.1	-179	-39.6	-64.2	0	0	0	112.7	Y513 H514 L515 F547 D734 P736	Y513-F517 WeakPolarHBondContact O-CE2 3.37Å; H514-F517 PolarHBondContact O-N 3.44Å; H514-F517 VanDerWaalsContact O-N 3.1Å; L515-F517 PolarHBondContact O-N 3.32Å; F517-F547 HydrophobicContact CB-CD1 3.49Å; F517-F547 VanDerWaalsContact CB-CD1 3.49Å; F517-F547 HydrophobicContact CB-CE1 3.45Å; F517-F547 VanDerWaalsContact CB-CE1 3.45Å; F517-F547 HydrophobicContact CB-CG 4.3Å; F517-F547 HydrophobicContact CB-CZ 4.21Å; F517-F547 HydrophobicContact CD2-CD1 4.28Å; F517-F547 AromaticContact CD2-CE1 3.54Å; F517-F547 HydrophobicContact CD2-CE1 3.54Å; F517-F547 HydrophobicContact CD2-CZ 4.3Å; F517-F547 AromaticContact CG-CD1 3.93Å; F517-F547 HydrophobicContact CG-CD1 3.93Å; F517-F547 AromaticContact CG-CE1 3.65Å; F517-F547 HydrophobicContact CG-CE1 3.65Å; F517-F547 PolarHBondContact O-N 3.33Å; F517-D734 HydrophobicContact CE1-CB 4.46Å; F517-D734 VanDerWaalsContact CE1-O 3.24Å; F517-D734 WeakPolarHBondContact CE1-O 3.03Å; F517-P736 HydrophobicContact CE1-CB 4.17Å
518	L	94.9	Very high	95.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.3	171.5	-56	-172.6	0	0	0	109.2	M455 V496 A510 L515 L544 A545 A546 I826	M455-L518 HydrophobicContact CE-CD1 3.73Å; M455-L518 HydrophobicContact CE-CD2 3.79Å; M455-L518 HydrophobicContact CE-CG 4.45Å; V496-L518 HydrophobicContact CG1-CD1 4.25Å; V496-L518 HydrophobicContact CG2-CD1 4.08Å; A510-L518 HydrophobicContact CB-CD1 3.77Å; L515-L518 HydrophobicContact CD2-CD1 4.15Å; L515-L518 PolarHBondContact O-N 2.92Å; L518-L544 HydrophobicContact CB-CD2 4.5Å; L518-L544 HydrophobicContact CD1-CD2 4.23Å; L518-L544 HydrophobicContact CD2-CD1 4.1Å; L518-A545 CarbonylContact C-O 3.57Å; L518-A545 WeakPolarHBondContact CA-O 3.48Å; L518-A546 HydrophobicContact CD2-CB 3.74Å; L518-I826 HydrophobicContact CB-CD1 3.66Å; L518-I826 HydrophobicContact CD1-CD1 4.39Å
519	R	91.1	Very high	95	Very high	43 Å²	43	33.5 Å²	33.5	16%	0.162	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	166	-175.6	-53.4	-177	-166.7	145.7	6.2	111.4	V521 L544 A545 D733 V735 L737	R519-V521 VanDerWaalsContact C-N 3.27Å; R519-V521 PolarHBondContact O-N 3.24Å; R519-V521 VanDerWaalsContact O-N 3.16Å; R519-L544 WeakPolarHBondContact O-CA 3.42Å; R519-L544 WeakPolarHBondContact O-CB 3.3Å; R519-A545 HydrophobicContact CB-CB 4.34Å; R519-A545 PolarHBondContact N-O 2.87Å; R519-A545 PolarHBondContact O-N 3.32Å; R519-D733 IonicContact CZ-OD1 3.2Å; R519-D733 IonicContact CZ-OD2 3.33Å; R519-D733 IonicContact NH1-OD1 3.76Å; R519-D733 IonicContact NH1-OD2 2.84Å; R519-D733 PolarHBondContact NH1-OD2 2.82Å; R519-D733 IonicContact NH2-OD1 3.47Å; R519-D733 PolarHBondContact NH2-OD1 3.42Å; R519-D733 IonicContact NH2-OD2 2.7Å; R519-D733 PolarHBondContact NH2-OD2 3.27Å; R519-V735 PolarHBondContact NH2-O 2.77Å; R519-L737 HydrophobicContact CG-CD1 4.39Å
520	D	90.6	Very high	94.2	Very high	55 Å²	55	39.9 Å²	39.9	29%	0.294	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	48.7	42.6	173.2	-54.9	-17	0	0	0	115.4	Q522 R543 H824	D520-Q522 PolarHBondContact O-N 3.06Å; D520-R543 WeakPolarHBondContact O-CD 3.17Å; D520-R543 PolarHBondContact O-NH1 3.19Å; D520-R543 VanDerWaalsContact O-NH1 3.07Å; D520-H824 IonicContact OD1-CE1 3.93Å; D520-H824 IonicContact OD1-ND1 2.69Å
521	V	95	Very high	93	Very high	28 Å²	28	43.5 Å²	43.5	17%	0.17	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	119.9	176.9	-174	0	0	0	0	109.9	V496 R519 V542 R543 L544 I826	V496-V521 HydrophobicContact CG1-CG2 4.34Å; R519-V521 VanDerWaalsContact C-N 3.27Å; R519-V521 PolarHBondContact O-N 3.24Å; R519-V521 VanDerWaalsContact O-N 3.16Å; V521-V542 HydrophobicContact CG1-CG1 4.4Å; V521-R543 CarbonylContact C-O 3.6Å; V521-R543 VanDerWaalsContact CA-O 3.32Å; V521-R543 WeakPolarHBondContact CA-O 3.43Å; V521-L544 HydrophobicContact CG2-CB 3.98Å; V521-L544 HydrophobicContact CG2-CD2 4.34Å; V521-I826 HydrophobicContact CG2-CD1 4.08Å
522	Q	95.8	Very high	92.1	Very high	52 Å²	52	43.2 Å²	43.2	24%	0.243	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	155.1	175.4	-62	171	49.7	0	0	110.4	D520 V542 R543 F581 Q582	D520-Q522 PolarHBondContact O-N 3.06Å; Q522-V542 WeakPolarHBondContact O-CA 3.4Å; Q522-R543 HydrophobicContact CB-CG 4.08Å; Q522-R543 PolarHBondContact N-O 3.05Å; Q522-R543 PolarHBondContact O-N 3.05Å; Q522-F581 HydrophobicContact CB-CD1 3.93Å; Q522-Q582 PolarHBondContact NE2-O 2.75Å
523	T	97.1	Very high	90.9	Very high	66 Å²	66	52.3 Å²	52.3	41%	0.405	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.1	-178.2	64.7	0	0	0	0	111.4	S497 V499 S541 V542	S497-T523 VanDerWaalsContact OG-CG2 3.29Å; S497-T523 WeakPolarHBondContact OG-CG2 3.35Å; V499-T523 HydrophobicContact CB-CG2 4.21Å; T523-S541 WeakPolarHBondContact CA-O 3.21Å; T523-S541 WeakPolarHBondContact CB-O 3.2Å; T523-V542 HydrophobicContact CG2-CG1 4.48Å; T523-V542 HydrophobicContact CG2-CG2 4.07Å
524	D	97.5	Very high	90.1	Very high	48 Å²	48	54.9 Å²	54.9	26%	0.257	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	162.1	175	-154.3	-15	0	0	0	111.7	V540 S541 Q579 Q580 F581	D524-V540 WeakPolarHBondContact O-CA 3.3Å; D524-S541 PolarHBondContact N-O 2.8Å; D524-S541 VanDerWaalsContact N-O 3.15Å; D524-S541 PolarHBondContact O-N 3.27Å; D524-S541 PolarHBondContact O-OG 3.04Å; D524-Q579 HydrophobicContact CB-CB 4.14Å; D524-Q579 HydrophobicContact CB-CG 4.06Å; D524-Q579 VanDerWaalsContact OD2-CA 3.23Å; D524-Q579 WeakPolarHBondContact OD2-CA 3.34Å; D524-Q580 PolarHBondContact OD2-N 3.37Å; D524-F581 HydrophobicContact CB-CE1 3.96Å; D524-F581 HydrophobicContact CB-CZ 4.36Å
525	C	97.2	Very high	89.3	Confident	47 Å²	47	54 Å²	54	32%	0.318	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	139	174.2	70.1	0	0	0	0	112.9	M501 G539 V540	M501-C525 HydrophobicContact CB-CB 4.32Å; M501-C525 HydrophobicContact SD-CB 4.22Å; C525-G539 WeakPolarHBondContact CA-O 3.29Å; C525-V540 HydrophobicContact CB-CB 4.44Å; C525-V540 HydrophobicContact CB-CG1 3.88Å
526	T	97.4	Very high	88.8	Confident	9 Å²	9	57 Å²	57	6%	0.055	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118.1	178.4	-55	0	0	0	0	109.5	G538 G539 T574 I575 L578 Q579	T526-G538 CarbonylContact O-C 3.59Å; T526-G538 WeakPolarHBondContact O-CA 3.25Å; T526-G539 PolarHBondContact N-O 2.84Å; T526-G539 PolarHBondContact O-N 3.11Å; T526-T574 HydrophobicContact CG2-CG2 4.27Å; T526-I575 HydrophobicContact CG2-CG1 4.18Å; T526-L578 HydrophobicContact CG2-CB 4.17Å; T526-L578 HydrophobicContact CG2-CD1 3.8Å; T526-Q579 VanDerWaalsContact N-NE2 3.12Å; T526-Q579 WeakPolarHBondContact OG1-CG 3.33Å; T526-Q579 PolarHBondContact OG1-NE2 2.81Å
527	R	96.2	Very high	88.9	Confident	140 Å²	140	58 Å²	58	53%	0.528	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	134.9	175.4	-60	174.7	-169.7	157.5	7.7	109	M501 G532	M501-R527 HydrophobicContact CG-CG 4.07Å; M501-R527 HydrophobicContact SD-CB 4.25Å; M501-R527 HydrophobicContact SD-CG 3.51Å; M501-R527 VanDerWaalsContact SD-CG 3.51Å; R527-G532 VanDerWaalsContact CB-O 3.32Å; R527-G532 WeakPolarHBondContact CB-O 3.35Å; R527-G532 WeakPolarHBondContact O-CA 3.39Å
528	T	93.9	Very high	89	Confident	15 Å²	15	56.3 Å²	56.3	9%	0.092	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	-12.2	171	66.7	0	0	0	0	112.5	G531 K537 G538 N571 T574 I575	T528-G531 PolarHBondContact O-N 3.36Å; T528-K537 PolarHBondContact N-O 3.03Å; T528-K537 VanDerWaalsContact OG1-C 3.32Å; T528-K537 PolarHBondContact OG1-O 3.1Å; T528-G538 VanDerWaalsContact OG1-CA 3.3Å; T528-G538 WeakPolarHBondContact OG1-CA 3.3Å; T528-G538 PolarHBondContact OG1-N 2.7Å; T528-N571 WeakPolarHBondContact CB-OD1 3.49Å; T528-N571 HydrophobicContact CG2-CB 4.16Å; T528-N571 PolarHBondContact OG1-OD1 3.29Å; T528-T574 HydrophobicContact CG2-CG2 4.46Å; T528-I575 HydrophobicContact CG2-CG1 4.3Å
529	G	83.8	Confident	89.2	Confident	5 Å²	5	56.3 Å²	56.3	5%	0.052	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	135.2	173.2	0	0	0	0	0	111.9	G531 G532 Y533 W534 K537	G529-G531 PolarHBondContact O-N 3Å; G529-G532 CarbonylContact O-C 3.25Å; G529-G532 PolarHBondContact O-N 3.39Å; G529-Y533 PolarHBondContact O-N 3.23Å; G529-W534 CarbonylContact C-O 3.58Å; G529-W534 WeakPolarHBondContact CA-O 3.29Å; G529-W534 PolarHBondContact N-O 3.2Å; G529-W534 PolarHBondContact O-N 3.23Å; G529-W534 VanDerWaalsContact O-O 3.12Å; G529-K537 PolarHBondContact N-O 2.93Å; G529-K537 VanDerWaalsContact N-O 3.16Å
530	L	82.1	Confident	89.5	Confident	135 Å²	135	54.3 Å²	54.3	71%	0.707	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	47.6	43.3	-174.3	-57.1	-177	0	0	0	113.3	G532 Y533 W534	L530-G532 VanDerWaalsContact C-N 3.29Å; L530-G532 PolarHBondContact O-N 3.06Å; L530-Y533 VanDerWaalsContact O-CD2 3.26Å; L530-Y533 WeakPolarHBondContact O-CD2 3.39Å; L530-Y533 PolarHBondContact O-N 3.29Å; L530-W534 HydrophobicContact CB-CB 4.11Å; L530-W534 HydrophobicContact CD1-CB 3.95Å; L530-W534 HydrophobicContact CD1-CG 4.35Å; L530-W534 HydrophobicContact CG-CB 4.01Å
531	G	72.6	Confident	89.9	Confident	76 Å²	76	51.7 Å²	51.7	78%	0.784	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	71.7	21	-179.6	0	0	0	0	0	114.3	T528 G529	T528-G531 PolarHBondContact O-N 3.36Å; G529-G531 PolarHBondContact O-N 3Å
532	G	77.3	Confident	90.1	Very high	27 Å²	27	50.3 Å²	50.3	28%	0.278	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	102.4	-14.6	-179.1	0	0	0	0	0	114.5	R527 G529 L530 W534	R527-G532 VanDerWaalsContact CB-O 3.32Å; R527-G532 WeakPolarHBondContact CB-O 3.35Å; R527-G532 WeakPolarHBondContact O-CA 3.39Å; G529-G532 CarbonylContact O-C 3.25Å; G529-G532 PolarHBondContact O-N 3.39Å; L530-G532 VanDerWaalsContact C-N 3.29Å; L530-G532 PolarHBondContact O-N 3.06Å; G532-W534 PolarHBondContact O-N 3.1Å
533	Y	70.5	Confident	90.1	Very high	205 Å²	205	47.9 Å²	47.9	80%	0.804	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-19	178.1	-65.2	-61.9	0	0	0	113.9	G529 L530	G529-Y533 PolarHBondContact O-N 3.23Å; L530-Y533 VanDerWaalsContact O-CD2 3.26Å; L530-Y533 WeakPolarHBondContact O-CD2 3.39Å; L530-Y533 PolarHBondContact O-N 3.29Å
534	W	78.1	Confident	90.1	Very high	139 Å²	139	44.8 Å²	44.8	53%	0.527	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	140.6	-174.8	-155.8	-106.8	0	0	0	113	Q502 G529 L530 G532 N536	Q502-W534 VanDerWaalsContact NE2-CD2 3.3Å; G529-W534 CarbonylContact C-O 3.58Å; G529-W534 WeakPolarHBondContact CA-O 3.29Å; G529-W534 PolarHBondContact N-O 3.2Å; G529-W534 PolarHBondContact O-N 3.23Å; G529-W534 VanDerWaalsContact O-O 3.12Å; L530-W534 HydrophobicContact CB-CB 4.11Å; L530-W534 HydrophobicContact CD1-CB 3.95Å; L530-W534 HydrophobicContact CD1-CG 4.35Å; L530-W534 HydrophobicContact CG-CB 4.01Å; G532-W534 PolarHBondContact O-N 3.1Å; W534-N536 PolarHBondContact O-N 3.35Å
535	G	77.9	Confident	89.9	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	11.5	-169.9	0	0	0	0	0	116.4	Q502 K537	Q502-G535 VanDerWaalsContact NE2-N 3.17Å; G535-K537 PolarHBondContact O-N 2.81Å
536	N	87.3	Confident	89.7	Confident	68 Å²	68	40.7 Å²	40.7	36%	0.364	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-4.3	-177.8	74.7	-34	0	0	0	114.2	Q502 W534	Q502-N536 VanDerWaalsContact OE1-N 3.07Å; W534-N536 PolarHBondContact O-N 3.35Å
537	K	95.5	Very high	89.5	Confident	25 Å²	25	40.3 Å²	40.3	11%	0.109	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	148.1	176.8	-63.1	-68.5	171.4	-92.2	0	109.1	E462 T528 G529 G535 H557 L558	E462-K537 IonicContact OE1-NZ 2.68Å; E462-K537 PolarHBondContact OE1-NZ 2.89Å; T528-K537 PolarHBondContact N-O 3.03Å; T528-K537 VanDerWaalsContact OG1-C 3.32Å; T528-K537 PolarHBondContact OG1-O 3.1Å; G529-K537 PolarHBondContact N-O 2.93Å; G529-K537 VanDerWaalsContact N-O 3.16Å; G535-K537 PolarHBondContact O-N 2.81Å; K537-H557 CarbonylContact C-O 3.6Å; K537-H557 VanDerWaalsContact CA-O 3.23Å; K537-H557 WeakPolarHBondContact CA-O 3.43Å; K537-H557 HydrophobicContact CD-CB 4.47Å; K537-H557 WeakPolarHBondContact CD-O 3.1Å; K537-H557 VanDerWaalsContact CE-NE2 3.31Å; K537-H557 WeakPolarHBondContact CE-NE2 3.48Å; K537-H557 PolarHBondContact NZ-CD2 3.34Å; K537-H557 PolarHBondContact NZ-CE1 3.46Å; K537-H557 PolarHBondContact NZ-ND1 3.48Å; K537-H557 PolarHBondContact NZ-NE2 3.34Å; K537-L558 WeakPolarHBondContact CD-O 3.33Å
538	G	97.4	Very high	89.1	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135.6	-146.5	-176.5	0	0	0	0	0	111.6	T526 T528 C556 H557 I575	T526-G538 CarbonylContact O-C 3.59Å; T526-G538 WeakPolarHBondContact O-CA 3.25Å; T528-G538 VanDerWaalsContact OG1-CA 3.3Å; T528-G538 WeakPolarHBondContact OG1-CA 3.3Å; T528-G538 PolarHBondContact OG1-N 2.7Å; G538-C556 WeakPolarHBondContact O-CA 3.36Å; G538-H557 PolarHBondContact N-O 3.2Å; G538-H557 PolarHBondContact O-N 2.82Å; G538-I575 VanDerWaalsContact C-CD1 3.48Å
539	G	98.2	Very high	89	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	152.2	177.5	0	0	0	0	0	113.7	C525 T526 N555 Q579	C525-G539 WeakPolarHBondContact CA-O 3.29Å; T526-G539 PolarHBondContact N-O 2.84Å; T526-G539 PolarHBondContact O-N 3.11Å; G539-N555 CarbonylContact C-O 3.57Å; G539-N555 VanDerWaalsContact CA-O 3.31Å; G539-N555 WeakPolarHBondContact CA-O 3.48Å; G539-Q579 PolarHBondContact O-NE2 3.24Å
540	V	98.6	Very high	89.4	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	142.9	174.8	-55.4	0	0	0	0	109.2	V499 M501 V504 L506 D524 C525 N555	V499-V540 HydrophobicContact CG1-CB 3.84Å; V499-V540 HydrophobicContact CG1-CG2 3.98Å; V499-V540 HydrophobicContact CG2-CB 4.13Å; M501-V540 HydrophobicContact CB-CG1 3.41Å; M501-V540 VanDerWaalsContact CB-CG1 3.41Å; M501-V540 HydrophobicContact CE-CG1 4.21Å; M501-V540 HydrophobicContact CG-CG1 4.48Å; M501-V540 HydrophobicContact SD-CG1 4.42Å; V504-V540 HydrophobicContact CB-CG1 4.36Å; V504-V540 HydrophobicContact CG1-CG1 4.16Å; V504-V540 HydrophobicContact CG1-CG2 3.9Å; L506-V540 HydrophobicContact CB-CG2 3.73Å; D524-V540 WeakPolarHBondContact O-CA 3.3Å; C525-V540 HydrophobicContact CB-CB 4.44Å; C525-V540 HydrophobicContact CB-CG1 3.88Å; V540-N555 HydrophobicContact CG2-CB 4.02Å; V540-N555 PolarHBondContact N-O 3Å; V540-N555 PolarHBondContact O-N 2.9Å
541	S	98.7	Very high	90.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	151.6	-174.6	58.9	0	0	0	0	114	T523 D524 F553 Q579 F581	T523-S541 WeakPolarHBondContact CA-O 3.21Å; T523-S541 WeakPolarHBondContact CB-O 3.2Å; D524-S541 PolarHBondContact N-O 2.8Å; D524-S541 VanDerWaalsContact N-O 3.15Å; D524-S541 PolarHBondContact O-N 3.27Å; D524-S541 PolarHBondContact O-OG 3.04Å; S541-F553 CarbonylContact C-O 3.56Å; S541-F553 WeakPolarHBondContact CA-O 3.28Å; S541-F553 WeakPolarHBondContact CB-O 3.11Å; S541-Q579 VanDerWaalsContact CB-OE1 3.28Å; S541-Q579 PolarHBondContact OG-OE1 3.14Å; S541-F581 WeakPolarHBondContact OG-CZ 3.3Å
542	V	98.5	Very high	91.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126.3	166.4	-177.1	0	0	0	0	107.3	V499 L506 L508 V521 Q522 T523 F553	V499-V542 HydrophobicContact CG1-CG2 3.84Å; L506-V542 HydrophobicContact CD2-CB 4.22Å; L506-V542 HydrophobicContact CD2-CG2 3.82Å; L506-V542 HydrophobicContact CG-CG2 3.93Å; L508-V542 HydrophobicContact CB-CG1 4.48Å; L508-V542 HydrophobicContact CD2-CB 4.34Å; L508-V542 HydrophobicContact CD2-CG1 3.67Å; V521-V542 HydrophobicContact CG1-CG1 4.4Å; Q522-V542 WeakPolarHBondContact O-CA 3.4Å; T523-V542 HydrophobicContact CG2-CG1 4.48Å; T523-V542 HydrophobicContact CG2-CG2 4.07Å; V542-F553 PolarHBondContact N-O 3.25Å; V542-F553 PolarHBondContact O-N 3.1Å
543	R	96.9	Very high	92.4	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	148.7	168.5	69.1	85.5	93.1	175.3	5.3	110.8	D520 V521 Q522 M550 L551 C552 F581 P584 A586 H592	D520-R543 WeakPolarHBondContact O-CD 3.17Å; D520-R543 PolarHBondContact O-NH1 3.19Å; D520-R543 VanDerWaalsContact O-NH1 3.07Å; V521-R543 CarbonylContact C-O 3.6Å; V521-R543 VanDerWaalsContact CA-O 3.32Å; V521-R543 WeakPolarHBondContact CA-O 3.43Å; Q522-R543 HydrophobicContact CB-CG 4.08Å; Q522-R543 PolarHBondContact N-O 3.05Å; Q522-R543 PolarHBondContact O-N 3.05Å; R543-M550 VanDerWaalsContact NE-CE 3.32Å; R543-L551 VanDerWaalsContact CA-O 3.23Å; R543-L551 WeakPolarHBondContact CA-O 3.34Å; R543-L551 WeakPolarHBondContact CB-O 3.24Å; R543-C552 HydrophobicContact CB-CB 4.19Å; R543-F581 HydrophobicContact CB-CE1 4.36Å; R543-F581 HydrophobicContact CB-CE2 4.43Å; R543-F581 HydrophobicContact CB-CZ 4.27Å; R543-F581 HydrophobicContact CG-CB 4.26Å; R543-F581 HydrophobicContact CG-CD1 3.44Å; R543-F581 VanDerWaalsContact CG-CD1 3.44Å; R543-F581 HydrophobicContact CG-CD2 3.98Å; R543-F581 HydrophobicContact CG-CE1 3.6Å; R543-F581 HydrophobicContact CG-CE2 4.13Å; R543-F581 HydrophobicContact CG-CG 3.62Å; R543-F581 HydrophobicContact CG-CZ 3.93Å; R543-P584 PolarHBondContact NH2-O 2.96Å; R543-A586 PolarHBondContact NH2-O 3.27Å; R543-H592 WeakPolarHBondContact CB-NE2 3.46Å; R543-H592 PolarHBondContact NE-NE2 3.02Å
544	L	96.4	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	-155.1	160.3	171.9	56.6	73.3	0	0	0	110.7	M455 V496 L508 L518 R519 V521 A546 M550 L551	M455-L544 HydrophobicContact CE-CD1 4.34Å; M455-L544 HydrophobicContact CE-CD2 4.15Å; V496-L544 HydrophobicContact CG1-CD2 4.39Å; L508-L544 HydrophobicContact CD2-CD2 3.63Å; L508-L544 HydrophobicContact CD2-CG 4.37Å; L518-L544 HydrophobicContact CB-CD2 4.5Å; L518-L544 HydrophobicContact CD1-CD2 4.23Å; L518-L544 HydrophobicContact CD2-CD1 4.1Å; R519-L544 WeakPolarHBondContact O-CA 3.42Å; R519-L544 WeakPolarHBondContact O-CB 3.3Å; V521-L544 HydrophobicContact CG2-CB 3.98Å; V521-L544 HydrophobicContact CG2-CD2 4.34Å; L544-A546 HydrophobicContact CD1-CB 3.82Å; L544-M550 VanDerWaalsContact C-CE 3.47Å; L544-M550 VanDerWaalsContact O-CE 3.3Å; L544-M550 WeakPolarHBondContact O-CE 3.44Å; L544-L551 HydrophobicContact CD1-CB 4.36Å; L544-L551 HydrophobicContact CD1-CD1 4.21Å; L544-L551 HydrophobicContact CD1-CG 4.41Å; L544-L551 PolarHBondContact N-O 3.08Å; L544-L551 PolarHBondContact O-N 3.29Å
545	A	92.9	Very high	94.8	Very high	10 Å²	10	7.4 Å²	7.4	8%	0.083	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	127.1	161.8	0	0	0	0	0	108.6	L518 R519 H549 M550	L518-A545 CarbonylContact C-O 3.57Å; L518-A545 WeakPolarHBondContact CA-O 3.48Å; R519-A545 HydrophobicContact CB-CB 4.34Å; R519-A545 PolarHBondContact N-O 2.87Å; R519-A545 PolarHBondContact O-N 3.32Å; A545-H549 CarbonylContact C-O 3.53Å; A545-H549 WeakPolarHBondContact CA-O 2.94Å; A545-M550 HydrophobicContact CB-SD 3.76Å
546	A	94.1	Very high	95.7	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	119.2	169.8	0	0	0	0	0	108.7	L518 L544 G548 H549 L551	L518-A546 HydrophobicContact CD2-CB 3.74Å; L544-A546 HydrophobicContact CD1-CB 3.82Å; A546-G548 PolarHBondContact O-N 2.95Å; A546-H549 PolarHBondContact N-O 2.82Å; A546-H549 PolarHBondContact O-N 2.91Å; A546-L551 HydrophobicContact CB-CD1 3.68Å; A546-L551 HydrophobicContact CB-CG 4.17Å
547	F	91.9	Very high	96.3	Very high	1 Å²	1	4.3 Å²	4.3	0%	0.004	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	30.2	-178.1	-46.3	-82.6	0	0	0	113.5	F420 H514 F517 H549 F729 R732 D733 D734	F420-F547 AromaticContact CD2-CE2 3.57Å; F420-F547 HydrophobicContact CD2-CE2 3.57Å; F420-F547 AromaticContact CD2-CZ 3.99Å; F420-F547 HydrophobicContact CD2-CZ 3.99Å; F420-F547 AromaticContact CE2-CE2 3.56Å; F420-F547 HydrophobicContact CE2-CE2 3.56Å; F420-F547 AromaticContact CE2-CZ 3.9Å; F420-F547 HydrophobicContact CE2-CZ 3.9Å; F420-F547 HydrophobicContact CG-CE2 4.07Å; F420-F547 HydrophobicContact CZ-CE2 4.07Å; H514-F547 AromaticContact ND1-CZ 3.66Å; F517-F547 HydrophobicContact CB-CD1 3.49Å; F517-F547 VanDerWaalsContact CB-CD1 3.49Å; F517-F547 HydrophobicContact CB-CE1 3.45Å; F517-F547 VanDerWaalsContact CB-CE1 3.45Å; F517-F547 HydrophobicContact CB-CG 4.3Å; F517-F547 HydrophobicContact CB-CZ 4.21Å; F517-F547 HydrophobicContact CD2-CD1 4.28Å; F517-F547 AromaticContact CD2-CE1 3.54Å; F517-F547 HydrophobicContact CD2-CE1 3.54Å; F517-F547 HydrophobicContact CD2-CZ 4.3Å; F517-F547 AromaticContact CG-CD1 3.93Å; F517-F547 HydrophobicContact CG-CD1 3.93Å; F517-F547 AromaticContact CG-CE1 3.65Å; F517-F547 HydrophobicContact CG-CE1 3.65Å; F517-F547 PolarHBondContact O-N 3.33Å; F547-H549 PolarHBondContact O-CD2 3.14Å; F547-F729 HydrophobicContact CB-CE2 4.46Å; F547-F729 HydrophobicContact CD2-CD2 4.25Å; F547-F729 AromaticContact CD2-CE2 3.43Å; F547-F729 HydrophobicContact CD2-CE2 3.43Å; F547-F729 VanDerWaalsContact CD2-CE2 3.43Å; F547-F729 AromaticContact CD2-CZ 3.6Å; F547-F729 HydrophobicContact CD2-CZ 3.6Å; F547-F729 AromaticContact CE2-CE2 3.98Å; F547-F729 HydrophobicContact CE2-CE2 3.98Å; F547-F729 HydrophobicContact CE2-CZ 4.26Å; F547-F729 HydrophobicContact CG-CE2 4.18Å; F547-R732 HydrophobicContact CB-CB 4.29Å; F547-R732 VanDerWaalsContact CE1-NH2 3.29Å; F547-D733 PolarHBondContact O-N 2.96Å; F547-D734 WeakPolarHBondContact CD1-OD1 3.22Å; F547-D734 WeakPolarHBondContact CE1-OD1 3.35Å
548	G	88.4	Confident	96.4	Very high	34 Å²	34	3.1 Å²	3.1	35%	0.351	3%	0.025	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	-2.7	-177.6	0	0	0	0	0	116.4	A546	A546-G548 PolarHBondContact O-N 2.95Å
549	H	91.3	Very high	96.4	Very high	7 Å²	7	3.7 Å²	3.7	3%	0.032	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133	179.4	-61.6	-100.5	0	0	0	111.1	A545 A546 F547 L551 F729 F731	A545-H549 CarbonylContact C-O 3.53Å; A545-H549 WeakPolarHBondContact CA-O 2.94Å; A546-H549 PolarHBondContact N-O 2.82Å; A546-H549 PolarHBondContact O-N 2.91Å; F547-H549 PolarHBondContact O-CD2 3.14Å; H549-L551 PolarHBondContact O-N 2.97Å; H549-F729 HydrophobicContact CB-CD1 4.13Å; H549-F729 HydrophobicContact CB-CE1 4.1Å; H549-F729 AromaticContact CD2-CD1 3.34Å; H549-F729 WeakPolarHBondContact CD2-CD1 3.43Å; H549-F729 AromaticContact CG-CD1 3.61Å; H549-F729 AromaticContact NE2-CD1 3.83Å; H549-F731 AromaticContact CE1-CD1 3.85Å; H549-F731 AromaticContact CE1-CE1 3.43Å; H549-F731 VanDerWaalsContact CE1-CE1 3.43Å; H549-F731 WeakPolarHBondContact CE1-CE1 3.09Å; H549-F731 AromaticContact CE1-CZ 3.7Å; H549-F731 AromaticContact NE2-CD1 3.87Å; H549-F731 AromaticContact NE2-CD2 4Å; H549-F731 AromaticContact NE2-CE1 3.61Å; H549-F731 AromaticContact NE2-CE2 3.73Å; H549-F731 AromaticContact NE2-CZ 3.52Å; H549-F731 PolarHBondContact NE2-O 2.91Å
550	M	93.8	Very high	96.2	Very high	10 Å²	10	5 Å²	5	5%	0.049	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	115.3	-177.4	-74.9	-54.7	-37.6	0	0	112.1	R543 L544 A545 A586 H592 D593 L594	R543-M550 VanDerWaalsContact NE-CE 3.32Å; L544-M550 VanDerWaalsContact C-CE 3.47Å; L544-M550 VanDerWaalsContact O-CE 3.3Å; L544-M550 WeakPolarHBondContact O-CE 3.44Å; A545-M550 HydrophobicContact CB-SD 3.76Å; M550-A586 HydrophobicContact CB-CB 4.3Å; M550-A586 HydrophobicContact CG-CB 4.25Å; M550-H592 HydrophobicContact CB-CB 4.34Å; M550-D593 WeakPolarHBondContact CB-OD2 3.43Å; M550-D593 PolarHBondContact N-OD2 2.99Å; M550-D593 PolarHBondContact O-N 3.16Å; M550-L594 PolarHBondContact O-N 3.04Å; M550-L594 VanDerWaalsContact O-N 3.1Å
551	L	97.1	Very high	96	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	141.9	175.4	-46.6	-174	0	0	0	110.4	I422 R543 L544 A546 H549 F553 L594 L700 L727	I422-L551 HydrophobicContact CD1-CD1 4.1Å; R543-L551 VanDerWaalsContact CA-O 3.23Å; R543-L551 WeakPolarHBondContact CA-O 3.34Å; R543-L551 WeakPolarHBondContact CB-O 3.24Å; L544-L551 HydrophobicContact CD1-CB 4.36Å; L544-L551 HydrophobicContact CD1-CD1 4.21Å; L544-L551 HydrophobicContact CD1-CG 4.41Å; L544-L551 PolarHBondContact N-O 3.08Å; L544-L551 PolarHBondContact O-N 3.29Å; A546-L551 HydrophobicContact CB-CD1 3.68Å; A546-L551 HydrophobicContact CB-CG 4.17Å; H549-L551 PolarHBondContact O-N 2.97Å; L551-F553 HydrophobicContact CB-CE2 4.21Å; L551-L594 CarbonylContact C-O 3.53Å; L551-L594 WeakPolarHBondContact CA-O 3.4Å; L551-L594 HydrophobicContact CD2-CB 3.85Å; L551-L594 HydrophobicContact CD2-CD2 4.24Å; L551-L700 HydrophobicContact CD2-CD2 4.41Å; L551-L727 HydrophobicContact CD1-CD2 4.39Å; L551-L727 HydrophobicContact CD2-CD2 4.18Å
552	C	98.5	Very high	95.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	128.5	170.2	-177.2	0	0	0	0	110.8	R543 H592 L594 V595 F596	R543-C552 HydrophobicContact CB-CB 4.19Å; C552-H592 HydrophobicContact CB-CB 3.92Å; C552-L594 PolarHBondContact N-O 2.81Å; C552-V595 HydrophobicContact CB-CG2 4.48Å; C552-V595 CarbonylContact O-C 3.54Å; C552-V595 WeakPolarHBondContact O-CA 3.49Å; C552-F596 PolarHBondContact O-N 3.15Å
553	F	98.9	Very high	95.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.5	175.1	-61.7	-91	0	0	0	108.5	I422 V424 M455 A457 L506 L508 S541 V542 L551 F596 F598	I422-F553 HydrophobicContact CD1-CZ 4.27Å; I422-F553 HydrophobicContact CG2-CE1 3.94Å; I422-F553 HydrophobicContact CG2-CZ 4.21Å; V424-F553 HydrophobicContact CG2-CE1 4.41Å; M455-F553 HydrophobicContact SD-CE2 3.98Å; M455-F553 HydrophobicContact SD-CZ 3.69Å; A457-F553 HydrophobicContact CB-CD1 3.47Å; A457-F553 VanDerWaalsContact CB-CD1 3.47Å; A457-F553 HydrophobicContact CB-CE1 3.67Å; A457-F553 HydrophobicContact CB-CG 4.2Å; L506-F553 HydrophobicContact CD2-CB 3.89Å; L506-F553 VanDerWaalsContact CD2-O 3.29Å; L506-F553 WeakPolarHBondContact CD2-O 3.47Å; L508-F553 HydrophobicContact CD1-CD2 4.07Å; L508-F553 HydrophobicContact CD1-CE1 4.34Å; L508-F553 HydrophobicContact CD1-CE2 3.84Å; L508-F553 HydrophobicContact CD1-CG 4.42Å; L508-F553 HydrophobicContact CD1-CZ 3.98Å; L508-F553 HydrophobicContact CD2-CD2 3.99Å; L508-F553 HydrophobicContact CD2-CE2 3.96Å; S541-F553 CarbonylContact C-O 3.56Å; S541-F553 WeakPolarHBondContact CA-O 3.28Å; S541-F553 WeakPolarHBondContact CB-O 3.11Å; V542-F553 PolarHBondContact N-O 3.25Å; V542-F553 PolarHBondContact O-N 3.1Å; L551-F553 HydrophobicContact CB-CE2 4.21Å; F553-F596 HydrophobicContact CD1-CB 4.09Å; F553-F596 AromaticContact CD1-CD2 3.58Å; F553-F596 HydrophobicContact CD1-CD2 3.58Å; F553-F596 HydrophobicContact CD1-CE2 4.37Å; F553-F596 HydrophobicContact CD1-CG 4.15Å; F553-F596 AromaticContact CE1-CD2 3.33Å; F553-F596 HydrophobicContact CE1-CD2 3.33Å; F553-F596 AromaticContact CE1-CE2 3.68Å; F553-F596 HydrophobicContact CE1-CE2 3.68Å; F553-F596 HydrophobicContact CE1-CG 4.23Å; F553-F596 HydrophobicContact CG-CD2 4.46Å; F553-F596 HydrophobicContact CZ-CD2 4.05Å; F553-F596 HydrophobicContact CZ-CE2 4.15Å; F553-F598 HydrophobicContact CB-CE1 3.98Å; F553-F598 HydrophobicContact CB-CZ 4.17Å; F553-F598 HydrophobicContact CD1-CE1 4.23Å; F553-F598 HydrophobicContact CD1-CZ 4.48Å
554	L	98.9	Very high	95.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	108.4	-179.7	176.3	69.2	0	0	0	110.3	F572 I575 I589 F596 W597 F598	L554-F572 HydrophobicContact CD2-CD2 4.36Å; L554-F572 HydrophobicContact CD2-CE2 3.71Å; L554-I575 HydrophobicContact CD1-CG2 3.81Å; L554-I575 HydrophobicContact CD2-CG2 4.13Å; L554-I589 HydrophobicContact CD1-CD1 4.23Å; L554-I589 HydrophobicContact CD2-CD1 4.19Å; L554-I589 HydrophobicContact CD2-CG2 4.5Å; L554-F596 PolarHBondContact N-O 3.35Å; L554-W597 HydrophobicContact CD2-CG 4.37Å; L554-F598 WeakPolarHBondContact O-CD1 3.33Å; L554-F598 PolarHBondContact O-N 2.92Å
555	N	98.9	Very high	95.6	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.9	170.1	174.9	21.4	0	0	0	110	G459 L460 Q461 I505 L506 G539 V540 F598	G459-N555 VanDerWaalsContact CA-ND2 3.27Å; G459-N555 WeakPolarHBondContact CA-ND2 3.35Å; L460-N555 PolarHBondContact N-ND2 2.75Å; L460-N555 PolarHBondContact O-ND2 3.38Å; Q461-N555 PolarHBondContact NE2-OD1 3.12Å; I505-N555 PolarHBondContact O-ND2 2.77Å; L506-N555 HydrophobicContact CB-CB 4.1Å; L506-N555 HydrophobicContact CD2-CB 4.4Å; G539-N555 CarbonylContact C-O 3.57Å; G539-N555 VanDerWaalsContact CA-O 3.31Å; G539-N555 WeakPolarHBondContact CA-O 3.48Å; V540-N555 HydrophobicContact CG2-CB 4.02Å; V540-N555 PolarHBondContact N-O 3Å; V540-N555 PolarHBondContact O-N 2.9Å; N555-F598 CarbonylContact C-O 3.59Å; N555-F598 WeakPolarHBondContact CA-O 3.29Å; N555-F598 HydrophobicContact CB-CD2 4.38Å; N555-F598 HydrophobicContact CB-CE2 4.07Å; N555-F598 HydrophobicContact CB-CZ 4.44Å
556	C	98.7	Very high	95.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	150.7	177.1	-72.2	0	0	0	0	113.3	G538 L558 F598 G599 D600 L601	G538-C556 WeakPolarHBondContact O-CA 3.36Å; C556-L558 HydrophobicContact CB-CD2 3.9Å; C556-L558 HydrophobicContact CB-CG 4.02Å; C556-F598 PolarHBondContact N-O 2.87Å; C556-G599 VanDerWaalsContact O-CA 3.29Å; C556-G599 WeakPolarHBondContact O-CA 3.41Å; C556-D600 PolarHBondContact O-N 2.88Å; C556-D600 VanDerWaalsContact O-N 3.16Å; C556-L601 HydrophobicContact CB-CD2 3.76Å
557	H	98.6	Very high	95.9	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.009	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	101.7	157.6	-169.4	161.9	0	0	0	108.4	Q461 E462 V504 K537 G538 D600 N602	Q461-H557 HydrophobicContact CB-CB 4.24Å; Q461-H557 HydrophobicContact CG-CB 3.92Å; E462-H557 VanDerWaalsContact CG-CE1 3.41Å; E462-H557 WeakPolarHBondContact CG-CE1 3.35Å; E462-H557 IonicContact OE1-CE1 2.71Å; E462-H557 PolarHBondContact OE1-CE1 2.56Å; E462-H557 IonicContact OE1-NE2 3.7Å; V504-H557 HydrophobicContact CG2-CB 3.68Å; K537-H557 CarbonylContact C-O 3.6Å; K537-H557 VanDerWaalsContact CA-O 3.23Å; K537-H557 WeakPolarHBondContact CA-O 3.43Å; K537-H557 HydrophobicContact CD-CB 4.47Å; K537-H557 WeakPolarHBondContact CD-O 3.1Å; K537-H557 VanDerWaalsContact CE-NE2 3.31Å; K537-H557 WeakPolarHBondContact CE-NE2 3.48Å; K537-H557 PolarHBondContact NZ-CD2 3.34Å; K537-H557 PolarHBondContact NZ-CE1 3.46Å; K537-H557 PolarHBondContact NZ-ND1 3.48Å; K537-H557 PolarHBondContact NZ-NE2 3.34Å; G538-H557 PolarHBondContact N-O 3.2Å; G538-H557 PolarHBondContact O-N 2.82Å; H557-D600 WeakPolarHBondContact CA-O 3.44Å; H557-D600 IonicContact CD2-OD2 2.82Å; H557-D600 IonicContact CE1-OD2 3.42Å; H557-D600 IonicContact NE2-OD2 2.96Å; H557-D600 PolarHBondContact NE2-OD2 3.36Å; H557-N602 PolarHBondContact NE2-ND2 3.32Å
558	L	98.4	Very high	96.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.			trans	-92.2	162.4	-174.3	-56.5	-175.6	0	0	0	112.7	K537 C556 A560 R568 N571 I575 W597 D600 L601 N602 F603	K537-L558 WeakPolarHBondContact CD-O 3.33Å; C556-L558 HydrophobicContact CB-CD2 3.9Å; C556-L558 HydrophobicContact CB-CG 4.02Å; L558-A560 PolarHBondContact O-N 3.41Å; L558-R568 HydrophobicContact CB-CB 4.39Å; L558-R568 HydrophobicContact CB-CG 3.95Å; L558-R568 HydrophobicContact CD1-CB 4.32Å; L558-N571 HydrophobicContact CD2-CB 4.22Å; L558-I575 HydrophobicContact CD2-CD1 3.99Å; L558-W597 HydrophobicContact CD1-CZ2 4.08Å; L558-D600 PolarHBondContact N-O 3.36Å; L558-L601 HydrophobicContact CD1-CB 4.25Å; L558-L601 HydrophobicContact CD1-CD2 4.09Å; L558-L601 HydrophobicContact CG-CD2 4.38Å; L558-N602 WeakPolarHBondContact O-CB 3.41Å; L558-N602 PolarHBondContact O-ND2 2.83Å; L558-F603 HydrophobicContact CD1-CE2 4.3Å
559	P	97.3	Very high	96.7	Very high	12 Å²	12	30.1 Å²	30.1	8%	0.078	15%	0.152	C	C	.	.			trans	-53.1	127.4	-178.6	-30.4	37.1	0	0	0	113.5	K564 Q567 R568 N571 N602	P559-K564 HydrophobicContact CB-CB 4.12Å; P559-Q567 HydrophobicContact CB-CG 4.42Å; P559-Q567 HydrophobicContact CG-CB 4.49Å; P559-Q567 HydrophobicContact CG-CG 4.04Å; P559-R568 HydrophobicContact CB-CG 4.46Å; P559-R568 WeakPolarHBondContact O-CG 2.85Å; P559-R568 PolarHBondContact O-NH1 3.11Å; P559-N571 VanDerWaalsContact CD-OD1 3.25Å; P559-N571 WeakPolarHBondContact CD-OD1 3.35Å; P559-N571 HydrophobicContact CG-CB 4.49Å; P559-N571 WeakPolarHBondContact CG-OD1 3.32Å; P559-N602 WeakPolarHBondContact O-CB 3.42Å
560	A	94.7	Very high	96.9	Very high	29 Å²	29	33.9 Å²	33.9	24%	0.24	17%	0.172	C	C	.	.			trans	-76.6	-179.6	178.6	0	0	0	0	0	112.8	L558 K564 N602	L558-A560 PolarHBondContact O-N 3.41Å; A560-K564 WeakPolarHBondContact O-CB 3.34Å; A560-K564 WeakPolarHBondContact O-CG 3.42Å; A560-N602 WeakPolarHBondContact CA-OD1 3.43Å; A560-N602 WeakPolarHBondContact CB-OD1 3.29Å
561	H	93.6	Very high	97.1	Very high	93 Å²	93	34.1 Å²	34.1	43%	0.431	17%	0.174	S	C	.	.	S	Bend	trans	76	157.9	-176.6	-62	-130.8	0	0	0	115.1	D563 K564 R568 R671	H561-D563 WeakPolarHBondContact CB-OD1 3.35Å; H561-K564 HydrophobicContact CB-CG 4.47Å; H561-R568 PolarHBondContact O-NH1 2.77Å; H561-R568 PolarHBondContact O-NH2 3.19Å; H561-R671 PolarHBondContact CE1-NH2 3.5Å; H561-R671 PolarHBondContact NE2-NH2 2.81Å
562	M	93.9	Very high	97.2	Very high	65 Å²	65	34.1 Å²	34.1	32%	0.32	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-64	-47.5	-171.5	-171.5	66.3	66.3	0	0	112.1	K564 R568 R604 I605 Q630	M562-K564 VanDerWaalsContact C-N 3.25Å; M562-K564 PolarHBondContact O-N 3.03Å; M562-R568 PolarHBondContact O-NH2 2.75Å; M562-R604 HydrophobicContact CE-CB 3.82Å; M562-R604 HydrophobicContact CE-CG 4.44Å; M562-R604 HydrophobicContact SD-CB 3.44Å; M562-R604 WeakPolarHBondContact SD-CB 3.48Å; M562-R604 HydrophobicContact SD-CG 4.18Å; M562-I605 VanDerWaalsContact CE-O 3.29Å; M562-I605 WeakPolarHBondContact CE-O 3.48Å; M562-Q630 PolarHBondContact O-NE2 2.69Å
563	D	95.1	Very high	97.1	Very high	105 Å²	105	37.6 Å²	37.6	56%	0.561	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-73.5	-6.9	-172.3	60.3	-59.3	0	0	0	114.6	H561 A565	H561-D563 WeakPolarHBondContact CB-OD1 3.35Å; D563-A565 VanDerWaalsContact C-N 3.33Å; D563-A565 PolarHBondContact O-N 3.28Å
564	K	96.9	Very high	97	Very high	77 Å²	77	40.3 Å²	40.3	34%	0.335	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-93	22.8	-176.5	-56	-46.2	-172.7	-150.8	0	114.3	P559 A560 H561 M562 E566 Q567 R568	P559-K564 HydrophobicContact CB-CB 4.12Å; A560-K564 WeakPolarHBondContact O-CB 3.34Å; A560-K564 WeakPolarHBondContact O-CG 3.42Å; H561-K564 HydrophobicContact CB-CG 4.47Å; M562-K564 VanDerWaalsContact C-N 3.25Å; M562-K564 PolarHBondContact O-N 3.03Å; K564-E566 PolarHBondContact O-N 2.81Å; K564-Q567 HydrophobicContact CB-CB 4.18Å; K564-Q567 PolarHBondContact O-N 3.4Å; K564-R568 WeakPolarHBondContact O-CG 3.47Å; K564-R568 PolarHBondContact O-N 2.72Å
565	A	96.5	Very high	97	Very high	16 Å²	16	40.3 Å²	40.3	13%	0.132	21%	0.206	C	C	.	.	H	α-helix	trans	-56.8	-48.8	-178.3	0	0	0	0	0	112.8	D563 R568 K569	D563-A565 VanDerWaalsContact C-N 3.33Å; D563-A565 PolarHBondContact O-N 3.28Å; A565-R568 WeakPolarHBondContact O-CB 3.22Å; A565-R568 PolarHBondContact O-N 3.21Å; A565-K569 PolarHBondContact O-N 2.81Å
566	E	96.5	Very high	97	Very high	104 Å²	104	41.3 Å²	41.3	49%	0.486	21%	0.212	S	C	.	.	H	α-helix	trans	-69.2	-39.5	176.7	-54.5	-46.4	105.8	0	0	111.6	K564 R568 K569 D570	K564-E566 PolarHBondContact O-N 2.81Å; E566-R568 PolarHBondContact O-N 2.8Å; E566-K569 CarbonylContact O-C 3.56Å; E566-K569 WeakPolarHBondContact O-CA 3.2Å; E566-K569 VanDerWaalsContact O-CB 3.27Å; E566-K569 WeakPolarHBondContact O-CB 3.45Å; E566-K569 PolarHBondContact O-N 3.15Å; E566-K569 VanDerWaalsContact OE1-CE 3.24Å; E566-K569 WeakPolarHBondContact OE1-CE 3.47Å; E566-K569 IonicContact OE1-NZ 2.72Å; E566-K569 PolarHBondContact OE1-NZ 2.58Å; E566-K569 WeakPolarHBondContact OE2-CD 3.29Å; E566-K569 WeakPolarHBondContact OE2-CE 3.49Å; E566-K569 IonicContact OE2-NZ 2.98Å; E566-K569 PolarHBondContact OE2-NZ 3.02Å; E566-D570 PolarHBondContact O-N 3.49Å
567	Q	97	Very high	96.9	Very high	85 Å²	85	45 Å²	45	40%	0.397	24%	0.238	S	C	.	.	H	α-helix	trans	-60.5	-32.3	176.2	-159.3	-172.4	9.7	0	0	112.4	P559 K564 N571	P559-Q567 HydrophobicContact CB-CG 4.42Å; P559-Q567 HydrophobicContact CG-CB 4.49Å; P559-Q567 HydrophobicContact CG-CG 4.04Å; K564-Q567 HydrophobicContact CB-CB 4.18Å; K564-Q567 PolarHBondContact O-N 3.4Å; Q567-N571 VanDerWaalsContact O-CB 3.23Å; Q567-N571 WeakPolarHBondContact O-CB 3.29Å; Q567-N571 PolarHBondContact O-N 3.37Å; Q567-N571 PolarHBondContact O-ND2 2.85Å
568	R	97.9	Very high	96.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-39.7	170.6	-71.1	-177.2	-85.7	-82.2	7.7	111.8	L558 P559 H561 M562 K564 A565 E566 F572 L601 N602 F603	L558-R568 HydrophobicContact CB-CB 4.39Å; L558-R568 HydrophobicContact CB-CG 3.95Å; L558-R568 HydrophobicContact CD1-CB 4.32Å; P559-R568 HydrophobicContact CB-CG 4.46Å; P559-R568 WeakPolarHBondContact O-CG 2.85Å; P559-R568 PolarHBondContact O-NH1 3.11Å; H561-R568 PolarHBondContact O-NH1 2.77Å; H561-R568 PolarHBondContact O-NH2 3.19Å; M562-R568 PolarHBondContact O-NH2 2.75Å; K564-R568 WeakPolarHBondContact O-CG 3.47Å; K564-R568 PolarHBondContact O-N 2.72Å; A565-R568 WeakPolarHBondContact O-CB 3.22Å; A565-R568 PolarHBondContact O-N 3.21Å; E566-R568 PolarHBondContact O-N 2.8Å; R568-F572 PolarHBondContact O-N 2.78Å; R568-L601 WeakPolarHBondContact CD-O 3.33Å; R568-N602 PolarHBondContact NH1-O 3.2Å; R568-F603 HydrophobicContact CB-CE1 3.94Å; R568-F603 HydrophobicContact CB-CE2 4.29Å; R568-F603 HydrophobicContact CB-CZ 3.71Å
569	K	97.6	Very high	96.7	Very high	28 Å²	28	50.3 Å²	50.3	12%	0.122	27%	0.265	C	S	.	.	H	α-helix	trans	-64.5	-51.7	174.7	-60.3	-179.9	-162.6	164.2	0	111.2	A565 E566 N571 F572 Q573 W638	A565-K569 PolarHBondContact O-N 2.81Å; E566-K569 CarbonylContact O-C 3.56Å; E566-K569 WeakPolarHBondContact O-CA 3.2Å; E566-K569 VanDerWaalsContact O-CB 3.27Å; E566-K569 WeakPolarHBondContact O-CB 3.45Å; E566-K569 PolarHBondContact O-N 3.15Å; E566-K569 VanDerWaalsContact OE1-CE 3.24Å; E566-K569 WeakPolarHBondContact OE1-CE 3.47Å; E566-K569 IonicContact OE1-NZ 2.72Å; E566-K569 PolarHBondContact OE1-NZ 2.58Å; E566-K569 WeakPolarHBondContact OE2-CD 3.29Å; E566-K569 WeakPolarHBondContact OE2-CE 3.49Å; E566-K569 IonicContact OE2-NZ 2.98Å; E566-K569 PolarHBondContact OE2-NZ 3.02Å; K569-N571 VanDerWaalsContact C-N 3.25Å; K569-N571 PolarHBondContact O-N 3.43Å; K569-F572 PolarHBondContact O-N 3.38Å; K569-F572 VanDerWaalsContact O-N 3.11Å; K569-Q573 PolarHBondContact O-N 2.92Å; K569-W638 HydrophobicContact CB-CD2 4.31Å; K569-W638 HydrophobicContact CB-CE3 4.27Å; K569-W638 HydrophobicContact CB-CH2 3.56Å; K569-W638 HydrophobicContact CB-CZ2 3.55Å; K569-W638 HydrophobicContact CB-CZ3 3.94Å; K569-W638 HydrophobicContact CD-CD2 3.97Å; K569-W638 HydrophobicContact CD-CE3 4.17Å; K569-W638 HydrophobicContact CD-CG 4.22Å; K569-W638 HydrophobicContact CG-CD2 4.03Å; K569-W638 HydrophobicContact CG-CE3 3.81Å; K569-W638 HydrophobicContact CG-CH2 3.99Å; K569-W638 HydrophobicContact CG-CZ2 4.16Å; K569-W638 HydrophobicContact CG-CZ3 3.81Å; K569-W638 WeakPolarHBondContact O-CH2 3.02Å
570	D	96.8	Very high	96.6	Very high	85 Å²	85	54 Å²	54	46%	0.455	28%	0.282	S	S	.	.	H	α-helix	trans	-55.5	-42.2	177.9	-59.2	-34.6	0	0	0	111.6	E566 Q573 T574	E566-D570 PolarHBondContact O-N 3.49Å; D570-Q573 PolarHBondContact O-N 2.84Å; D570-T574 WeakPolarHBondContact O-CB 3.4Å; D570-T574 PolarHBondContact O-N 2.91Å; D570-T574 PolarHBondContact O-OG1 2.88Å
571	N	97.6	Very high	96.6	Very high	15 Å²	15	52.9 Å²	52.9	8%	0.08	27%	0.271	C	S	.	.	H	α-helix	trans	-65.9	-44.4	178.5	-82.9	-143.9	0	0	0	111.5	T528 L558 P559 Q567 K569 T574 I575	T528-N571 WeakPolarHBondContact CB-OD1 3.49Å; T528-N571 HydrophobicContact CG2-CB 4.16Å; T528-N571 PolarHBondContact OG1-OD1 3.29Å; L558-N571 HydrophobicContact CD2-CB 4.22Å; P559-N571 VanDerWaalsContact CD-OD1 3.25Å; P559-N571 WeakPolarHBondContact CD-OD1 3.35Å; P559-N571 HydrophobicContact CG-CB 4.49Å; P559-N571 WeakPolarHBondContact CG-OD1 3.32Å; Q567-N571 VanDerWaalsContact O-CB 3.23Å; Q567-N571 WeakPolarHBondContact O-CB 3.29Å; Q567-N571 PolarHBondContact O-N 3.37Å; Q567-N571 PolarHBondContact O-ND2 2.85Å; K569-N571 VanDerWaalsContact C-N 3.25Å; K569-N571 PolarHBondContact O-N 3.43Å; N571-T574 WeakPolarHBondContact O-CB 3.45Å; N571-T574 PolarHBondContact O-N 2.69Å; N571-I575 WeakPolarHBondContact O-CD1 3.35Å; N571-I575 WeakPolarHBondContact O-CG1 3.28Å; N571-I575 PolarHBondContact O-N 3Å
572	F	98.2	Very high	96.4	Very high	1 Å²	1	54.9 Å²	54.9	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-66.8	-39.4	175.8	-178.1	-128.4	0	0	0	112.1	L554 R568 K569 T574 I575 L576 W597 W638 I640 L641 F644	L554-F572 HydrophobicContact CD2-CD2 4.36Å; L554-F572 HydrophobicContact CD2-CE2 3.71Å; R568-F572 PolarHBondContact O-N 2.78Å; K569-F572 PolarHBondContact O-N 3.38Å; K569-F572 VanDerWaalsContact O-N 3.11Å; F572-T574 VanDerWaalsContact C-N 3.32Å; F572-T574 PolarHBondContact O-N 3.26Å; F572-I575 PolarHBondContact O-N 2.95Å; F572-L576 HydrophobicContact CD1-CD1 4.03Å; F572-L576 HydrophobicContact CD2-CD1 4.4Å; F572-L576 HydrophobicContact CD2-CG 4.09Å; F572-L576 HydrophobicContact CE1-CD1 3.67Å; F572-L576 HydrophobicContact CE1-CG 4.33Å; F572-L576 HydrophobicContact CE2-CD1 4.05Å; F572-L576 HydrophobicContact CE2-CD2 3.82Å; F572-L576 HydrophobicContact CE2-CG 3.8Å; F572-L576 HydrophobicContact CG-CD1 4.39Å; F572-L576 HydrophobicContact CG-CG 4.48Å; F572-L576 HydrophobicContact CZ-CD1 3.69Å; F572-L576 HydrophobicContact CZ-CD2 3.95Å; F572-L576 HydrophobicContact CZ-CG 3.95Å; F572-L576 WeakPolarHBondContact O-CB 3.24Å; F572-L576 VanDerWaalsContact O-CG 3.31Å; F572-L576 WeakPolarHBondContact O-CG 3.06Å; F572-L576 PolarHBondContact O-N 3.04Å; F572-W597 HydrophobicContact CB-CZ2 4.28Å; F572-W597 AromaticContact CD1-CH2 3.81Å; F572-W597 HydrophobicContact CD1-CH2 3.81Å; F572-W597 AromaticContact CD1-CZ2 3.76Å; F572-W597 HydrophobicContact CD1-CZ2 3.76Å; F572-W597 HydrophobicContact CD1-CZ3 4.31Å; F572-W597 HydrophobicContact CD2-CD2 4.31Å; F572-W597 AromaticContact CD2-CE2 3.62Å; F572-W597 AromaticContact CD2-CZ2 3.76Å; F572-W597 HydrophobicContact CD2-CZ2 3.76Å; F572-W597 AromaticContact CD2-NE1 3.65Å; F572-W597 HydrophobicContact CE1-CD2 4.07Å; F572-W597 AromaticContact CE1-CE3 3.96Å; F572-W597 HydrophobicContact CE1-CE3 3.96Å; F572-W597 AromaticContact CE1-CH2 3.83Å; F572-W597 HydrophobicContact CE1-CH2 3.83Å; F572-W597 AromaticContact CE1-CZ2 3.93Å; F572-W597 HydrophobicContact CE1-CZ2 3.93Å; F572-W597 AromaticContact CE1-CZ3 3.86Å; F572-W597 HydrophobicContact CE1-CZ3 3.86Å; F572-W597 AromaticContact CE2-CD1 3.71Å; F572-W597 AromaticContact CE2-CD2 3.64Å; F572-W597 HydrophobicContact CE2-CD2 3.64Å; F572-W597 AromaticContact CE2-CE2 3.41Å; F572-W597 VanDerWaalsContact CE2-CE2 3.41Å; F572-W597 HydrophobicContact CE2-CE3 4.35Å; F572-W597 AromaticContact CE2-CG 3.81Å; F572-W597 HydrophobicContact CE2-CG 3.81Å; F572-W597 AromaticContact CE2-CZ2 3.93Å; F572-W597 HydrophobicContact CE2-CZ2 3.93Å; F572-W597 AromaticContact CE2-NE1 3.47Å; F572-W597 HydrophobicContact CG-CH2 4.2Å; F572-W597 AromaticContact CG-CZ2 3.68Å; F572-W597 HydrophobicContact CG-CZ2 3.68Å; F572-W597 AromaticContact CZ-CD2 3.49Å; F572-W597 HydrophobicContact CZ-CD2 3.49Å; F572-W597 VanDerWaalsContact CZ-CD2 3.49Å; F572-W597 AromaticContact CZ-CE2 3.64Å; F572-W597 AromaticContact CZ-CE3 3.75Å; F572-W597 HydrophobicContact CZ-CE3 3.75Å; F572-W597 AromaticContact CZ-CG 3.92Å; F572-W597 HydrophobicContact CZ-CG 3.92Å; F572-W597 HydrophobicContact CZ-CH2 4.24Å; F572-W597 HydrophobicContact CZ-CZ2 4Å; F572-W597 HydrophobicContact CZ-CZ3 4.13Å; F572-W638 HydrophobicContact CB-CH2 4.13Å; F572-W638 AromaticContact CD1-CH2 3.64Å; F572-W638 HydrophobicContact CD1-CH2 3.64Å; F572-W638 AromaticContact CD1-CZ3 3.8Å; F572-W638 HydrophobicContact CD1-CZ3 3.8Å; F572-W638 HydrophobicContact CG-CH2 4.37Å; F572-I640 HydrophobicContact CD1-CG2 4.44Å; F572-I640 HydrophobicContact CE1-CG2 4.13Å; F572-L641 HydrophobicContact CD1-CD2 4.31Å; F572-L641 HydrophobicContact CE1-CD2 3.78Å; F572-F644 HydrophobicContact CZ-CE2 4.46Å; F572-F644 HydrophobicContact CZ-CZ 4.19Å
573	Q	97.5	Very high	95.7	Very high	73 Å²	73	53.6 Å²	53.6	34%	0.341	29%	0.285	S	S	.	.	H	α-helix	trans	-57.3	-43	169.6	-98.2	164.8	-56.1	0	0	112.7	K569 D570 L576 S577 W638 I640	K569-Q573 PolarHBondContact O-N 2.92Å; D570-Q573 PolarHBondContact O-N 2.84Å; Q573-L576 PolarHBondContact O-N 3.48Å; Q573-S577 WeakPolarHBondContact O-CB 3.01Å; Q573-S577 PolarHBondContact O-N 3.23Å; Q573-S577 PolarHBondContact O-OG 3.08Å; Q573-W638 HydrophobicContact CG-CZ2 3.83Å; Q573-I640 HydrophobicContact CG-CD1 3.29Å
574	T	97.3	Very high	94.5	Very high	56 Å²	56	53.2 Å²	53.2	34%	0.344	29%	0.287	S	S	.	.	H	α-helix	trans	-63.2	-44.8	177.6	-58.8	0	0	0	0	111.1	T526 T528 D570 N571 F572 S577 L578	T526-T574 HydrophobicContact CG2-CG2 4.27Å; T528-T574 HydrophobicContact CG2-CG2 4.46Å; D570-T574 WeakPolarHBondContact O-CB 3.4Å; D570-T574 PolarHBondContact O-N 2.91Å; D570-T574 PolarHBondContact O-OG1 2.88Å; N571-T574 WeakPolarHBondContact O-CB 3.45Å; N571-T574 PolarHBondContact O-N 2.69Å; F572-T574 VanDerWaalsContact C-N 3.32Å; F572-T574 PolarHBondContact O-N 3.26Å; T574-S577 PolarHBondContact O-N 2.85Å; T574-L578 HydrophobicContact CG2-CD1 3.69Å; T574-L578 HydrophobicContact CG2-CG 4.36Å; T574-L578 WeakPolarHBondContact O-CB 3.3Å; T574-L578 WeakPolarHBondContact O-CG 3.36Å; T574-L578 PolarHBondContact O-N 3.34Å
575	I	98.4	Very high	93.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.3	-49.9	176.1	-67.3	158.8	0	0	0	111	T526 T528 G538 L554 L558 N571 F572 S577 L578 Q579 I589	T526-I575 HydrophobicContact CG2-CG1 4.18Å; T528-I575 HydrophobicContact CG2-CG1 4.3Å; G538-I575 VanDerWaalsContact C-CD1 3.48Å; L554-I575 HydrophobicContact CD1-CG2 3.81Å; L554-I575 HydrophobicContact CD2-CG2 4.13Å; L558-I575 HydrophobicContact CD2-CD1 3.99Å; N571-I575 WeakPolarHBondContact O-CD1 3.35Å; N571-I575 WeakPolarHBondContact O-CG1 3.28Å; N571-I575 PolarHBondContact O-N 3Å; F572-I575 PolarHBondContact O-N 2.95Å; I575-S577 PolarHBondContact O-N 3.13Å; I575-L578 PolarHBondContact O-N 2.84Å; I575-Q579 WeakPolarHBondContact O-CG 3.37Å; I575-Q579 PolarHBondContact O-N 2.77Å; I575-Q579 VanDerWaalsContact O-N 3.15Å; I575-I589 HydrophobicContact CG2-CD1 4.24Å
576	L	97.8	Very high	93	Very high	21 Å²	21	51.6 Å²	51.6	11%	0.11	30%	0.295	C	S	.	.	H	α-helix	trans	-62.4	-29.1	178.8	-71.2	-179.8	0	0	0	113.7	F572 Q573 I589 L590 I640	F572-L576 HydrophobicContact CD1-CD1 4.03Å; F572-L576 HydrophobicContact CD2-CD1 4.4Å; F572-L576 HydrophobicContact CD2-CG 4.09Å; F572-L576 HydrophobicContact CE1-CD1 3.67Å; F572-L576 HydrophobicContact CE1-CG 4.33Å; F572-L576 HydrophobicContact CE2-CD1 4.05Å; F572-L576 HydrophobicContact CE2-CD2 3.82Å; F572-L576 HydrophobicContact CE2-CG 3.8Å; F572-L576 HydrophobicContact CG-CD1 4.39Å; F572-L576 HydrophobicContact CG-CG 4.48Å; F572-L576 HydrophobicContact CZ-CD1 3.69Å; F572-L576 HydrophobicContact CZ-CD2 3.95Å; F572-L576 HydrophobicContact CZ-CG 3.95Å; F572-L576 WeakPolarHBondContact O-CB 3.24Å; F572-L576 VanDerWaalsContact O-CG 3.31Å; F572-L576 WeakPolarHBondContact O-CG 3.06Å; F572-L576 PolarHBondContact O-N 3.04Å; Q573-L576 PolarHBondContact O-N 3.48Å; L576-I589 HydrophobicContact CD2-CB 3.84Å; L576-I589 HydrophobicContact CD2-CD1 4.07Å; L576-I589 HydrophobicContact CD2-CG2 3.73Å; L576-L590 HydrophobicContact CD1-CD1 4.1Å; L576-L590 HydrophobicContact CD1-CG 4.39Å; L576-L590 HydrophobicContact CD2-CD2 3.99Å; L576-L590 HydrophobicContact CD2-CG 4.05Å; L576-I640 HydrophobicContact CD1-CG2 3.69Å
577	S	96.6	Very high	92.7	Very high	79 Å²	79	51.5 Å²	51.5	55%	0.552	29%	0.294	S	S	*	.	H	α-helix	trans	-85	-37.9	-178.9	-54.7	0	0	0	0	112.4	Q573 T574 I575 Q580	Q573-S577 WeakPolarHBondContact O-CB 3.01Å; Q573-S577 PolarHBondContact O-N 3.23Å; Q573-S577 PolarHBondContact O-OG 3.08Å; T574-S577 PolarHBondContact O-N 2.85Å; I575-S577 PolarHBondContact O-N 3.13Å; S577-Q580 PolarHBondContact O-NE2 3.01Å
578	L	97	Very high	92.6	Very high	112 Å²	112	47.8 Å²	47.8	59%	0.586	28%	0.278	S	S	*	.	H	α-helix	trans	-87.3	-27.2	-173.4	-67.8	-179.9	0	0	0	114.3	T526 T574 I575 Q580	T526-L578 HydrophobicContact CG2-CB 4.17Å; T526-L578 HydrophobicContact CG2-CD1 3.8Å; T574-L578 HydrophobicContact CG2-CD1 3.69Å; T574-L578 HydrophobicContact CG2-CG 4.36Å; T574-L578 WeakPolarHBondContact O-CB 3.3Å; T574-L578 WeakPolarHBondContact O-CG 3.36Å; T574-L578 PolarHBondContact O-N 3.34Å; I575-L578 PolarHBondContact O-N 2.84Å; L578-Q580 PolarHBondContact O-N 3.06Å
579	Q	97.5	Very high	92.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.278	C	S	.	.			trans	-83.6	116.5	179.1	-60.1	-170.5	5.6	0	0	111.1	D524 T526 G539 S541 I575 I589	D524-Q579 HydrophobicContact CB-CB 4.14Å; D524-Q579 HydrophobicContact CB-CG 4.06Å; D524-Q579 VanDerWaalsContact OD2-CA 3.23Å; D524-Q579 WeakPolarHBondContact OD2-CA 3.34Å; T526-Q579 VanDerWaalsContact N-NE2 3.12Å; T526-Q579 WeakPolarHBondContact OG1-CG 3.33Å; T526-Q579 PolarHBondContact OG1-NE2 2.81Å; G539-Q579 PolarHBondContact O-NE2 3.24Å; S541-Q579 VanDerWaalsContact CB-OE1 3.28Å; S541-Q579 PolarHBondContact OG-OE1 3.14Å; I575-Q579 WeakPolarHBondContact O-CG 3.37Å; I575-Q579 PolarHBondContact O-N 2.77Å; I575-Q579 VanDerWaalsContact O-N 3.15Å; Q579-I589 HydrophobicContact CB-CD1 3.7Å; Q579-I589 HydrophobicContact CB-CG1 4.17Å; Q579-I589 HydrophobicContact CG-CD1 4.27Å
580	Q	94.9	Very high	92.5	Very high	89 Å²	89	49.3 Å²	49.3	42%	0.416	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-141.1	115.1	-169.6	-61.7	-62.2	-25.6	0	0	111.1	D524 S577 L578	D524-Q580 PolarHBondContact OD2-N 3.37Å; S577-Q580 PolarHBondContact O-NE2 3.01Å; L578-Q580 PolarHBondContact O-N 3.06Å
581	F	93.9	Very high	92.3	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.026	29%	0.285	C	S	.	.			trans	-94.3	151.5	-174.2	-53.2	-78.3	0	0	0	112.6	Q522 D524 S541 R543 H587 I589 H592	Q522-F581 HydrophobicContact CB-CD1 3.93Å; D524-F581 HydrophobicContact CB-CE1 3.96Å; D524-F581 HydrophobicContact CB-CZ 4.36Å; S541-F581 WeakPolarHBondContact OG-CZ 3.3Å; R543-F581 HydrophobicContact CB-CE1 4.36Å; R543-F581 HydrophobicContact CB-CE2 4.43Å; R543-F581 HydrophobicContact CB-CZ 4.27Å; R543-F581 HydrophobicContact CG-CB 4.26Å; R543-F581 HydrophobicContact CG-CD1 3.44Å; R543-F581 VanDerWaalsContact CG-CD1 3.44Å; R543-F581 HydrophobicContact CG-CD2 3.98Å; R543-F581 HydrophobicContact CG-CE1 3.6Å; R543-F581 HydrophobicContact CG-CE2 4.13Å; R543-F581 HydrophobicContact CG-CG 3.62Å; R543-F581 HydrophobicContact CG-CZ 3.93Å; F581-H587 VanDerWaalsContact CD2-O 3.29Å; F581-H587 WeakPolarHBondContact CD2-O 3.46Å; F581-H587 PolarHBondContact N-O 3.43Å; F581-H587 PolarHBondContact O-ND1 2.83Å; F581-H587 VanDerWaalsContact O-ND1 3.08Å; F581-I589 HydrophobicContact CE2-CG1 4Å; F581-H592 AromaticContact CD2-CE1 3.56Å; F581-H592 AromaticContact CE2-CE1 3.84Å
582	Q	88.6	Confident	92.1	Very high	136 Å²	136	48.1 Å²	48.1	64%	0.636	28%	0.281	S	S	*	.			trans	-95.2	161.2	-177.3	-59.2	-57.8	-48.3	0	0	111.7	Q522	Q522-Q582 PolarHBondContact NE2-O 2.75Å
583	G	79.1	Confident	91.9	Very high	38 Å²	38	49.9 Å²	49.9	39%	0.392	29%	0.291	S	S	.	.	S	Bend	trans	83.3	-174.1	179.7	0	0	0	0	0	114	H587	G583-H587 PolarHBondContact O-CE1 3.19Å
584	P	70.3	Confident	91.9	Very high	96 Å²	96	46.4 Å²	46.4	62%	0.623	27%	0.274	S	S	*	.	S	Bend	trans	-76.7	175.4	-173.1	31.7	-35.8	0	0	0	113.9	R543 A586	R543-P584 PolarHBondContact NH2-O 2.96Å; P584-A586 VanDerWaalsContact C-N 3.35Å; P584-A586 PolarHBondContact O-N 3.01Å; P584-A586 VanDerWaalsContact O-N 3.09Å
585	G	74.9	Confident	92	Very high	58 Å²	58	43.9 Å²	43.9	60%	0.598	26%	0.259	S	S	*	.	S	Bend	trans	86.3	-56.9	170.2	0	0	0	0	0	114.8
586	A	86.9	Confident	92	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.017	26%	0.259	C	S	.	.			trans	-156	127.5	-175.6	0	0	0	0	0	112.3	R543 M550 P584 D591 H592	R543-A586 PolarHBondContact NH2-O 3.27Å; M550-A586 HydrophobicContact CB-CB 4.3Å; M550-A586 HydrophobicContact CG-CB 4.25Å; P584-A586 VanDerWaalsContact C-N 3.35Å; P584-A586 PolarHBondContact O-N 3.01Å; P584-A586 VanDerWaalsContact O-N 3.09Å; A586-D591 HydrophobicContact CB-CB 3.82Å; A586-H592 HydrophobicContact CB-CB 4.32Å
587	H	91.4	Very high	92	Very high	101 Å²	101	42.9 Å²	42.9	47%	0.468	25%	0.253	S	S	.	.	S	Bend	trans	-101.9	-59.3	-179.8	-69.1	-56.7	0	0	0	112.1	F581 G583 D591	F581-H587 VanDerWaalsContact CD2-O 3.29Å; F581-H587 WeakPolarHBondContact CD2-O 3.46Å; F581-H587 PolarHBondContact N-O 3.43Å; F581-H587 PolarHBondContact O-ND1 2.83Å; F581-H587 VanDerWaalsContact O-ND1 3.08Å; G583-H587 PolarHBondContact O-CE1 3.19Å; H587-D591 PolarHBondContact N-OD2 3.29Å
588	G	94.6	Very high	92.1	Very high	7 Å²	7	39.1 Å²	39.1	7%	0.072	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-79	160.6	173.2	0	0	0	0	0	111.7	L590 D591 H592	G588-L590 VanDerWaalsContact C-N 3.27Å; G588-L590 PolarHBondContact O-N 3.01Å; G588-D591 PolarHBondContact N-OD2 2.75Å; G588-D591 WeakPolarHBondContact O-CB 3.45Å; G588-D591 PolarHBondContact O-N 2.83Å; G588-D591 VanDerWaalsContact O-N 3.08Å; G588-H592 PolarHBondContact O-CE1 2.82Å; G588-H592 VanDerWaalsContact O-CE1 3.32Å; G588-H592 PolarHBondContact O-ND1 2.9Å
589	I	96.9	Very high	92.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-51.5	-47.6	175.9	-71.4	162.9	0	0	0	111.1	L554 I575 L576 Q579 F581 D591 H592 V595	L554-I589 HydrophobicContact CD1-CD1 4.23Å; L554-I589 HydrophobicContact CD2-CD1 4.19Å; L554-I589 HydrophobicContact CD2-CG2 4.5Å; I575-I589 HydrophobicContact CG2-CD1 4.24Å; L576-I589 HydrophobicContact CD2-CB 3.84Å; L576-I589 HydrophobicContact CD2-CD1 4.07Å; L576-I589 HydrophobicContact CD2-CG2 3.73Å; Q579-I589 HydrophobicContact CB-CD1 3.7Å; Q579-I589 HydrophobicContact CB-CG1 4.17Å; Q579-I589 HydrophobicContact CG-CD1 4.27Å; F581-I589 HydrophobicContact CE2-CG1 4Å; I589-D591 PolarHBondContact O-N 2.95Å; I589-H592 PolarHBondContact O-N 3Å; I589-H592 PolarHBondContact O-ND1 2.88Å; I589-V595 HydrophobicContact CG2-CG1 3.76Å; I589-V595 HydrophobicContact CG2-CG2 4.35Å; I589-V595 WeakPolarHBondContact O-CG2 3.45Å
590	L	95.3	Very high	92.3	Very high	60 Å²	60	33.9 Å²	33.9	31%	0.314	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-74.2	-3.9	-176.7	-58.7	-174	0	0	0	115.2	L576 G588 H592 F644	L576-L590 HydrophobicContact CD1-CD1 4.1Å; L576-L590 HydrophobicContact CD1-CG 4.39Å; L576-L590 HydrophobicContact CD2-CD2 3.99Å; L576-L590 HydrophobicContact CD2-CG 4.05Å; G588-L590 VanDerWaalsContact C-N 3.27Å; G588-L590 PolarHBondContact O-N 3.01Å; L590-H592 VanDerWaalsContact C-N 3.34Å; L590-F644 HydrophobicContact CD2-CE2 3.82Å; L590-F644 HydrophobicContact CD2-CZ 3.71Å
591	D	93.1	Very high	92.5	Very high	73 Å²	73	29.6 Å²	29.6	39%	0.39	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-83.9	-12.8	177.8	-59.1	-18.6	0	0	0	112.5	A586 H587 G588 I589 K684	A586-D591 HydrophobicContact CB-CB 3.82Å; H587-D591 PolarHBondContact N-OD2 3.29Å; G588-D591 PolarHBondContact N-OD2 2.75Å; G588-D591 WeakPolarHBondContact O-CB 3.45Å; G588-D591 PolarHBondContact O-N 2.83Å; G588-D591 VanDerWaalsContact O-N 3.08Å; I589-D591 PolarHBondContact O-N 2.95Å; D591-K684 WeakPolarHBondContact O-CE 3.29Å; D591-K684 PolarHBondContact O-NZ 2.81Å
592	H	94.5	Very high	92.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	18%	0.179	C	C	.	.	S	Bend	trans	-71.7	148.9	-179.2	-64.7	71.6	0	0	0	110.9	R543 M550 C552 F581 A586 G588 I589 L590 L594 V595	R543-H592 WeakPolarHBondContact CB-NE2 3.46Å; R543-H592 PolarHBondContact NE-NE2 3.02Å; M550-H592 HydrophobicContact CB-CB 4.34Å; C552-H592 HydrophobicContact CB-CB 3.92Å; F581-H592 AromaticContact CD2-CE1 3.56Å; F581-H592 AromaticContact CE2-CE1 3.84Å; A586-H592 HydrophobicContact CB-CB 4.32Å; G588-H592 PolarHBondContact O-CE1 2.82Å; G588-H592 VanDerWaalsContact O-CE1 3.32Å; G588-H592 PolarHBondContact O-ND1 2.9Å; I589-H592 PolarHBondContact O-N 3Å; I589-H592 PolarHBondContact O-ND1 2.88Å; L590-H592 VanDerWaalsContact C-N 3.34Å; H592-L594 VanDerWaalsContact C-N 3.25Å; H592-L594 PolarHBondContact O-N 2.96Å; H592-V595 HydrophobicContact CB-CG2 4.08Å
593	D	93.6	Very high	93.2	Very high	39 Å²	39	23 Å²	23	21%	0.209	15%	0.149	C	C	.	.	S	Bend	trans	-68.2	-29.1	-176.1	-51.4	-46.6	0	0	0	111.7	M550 V683 K684	M550-D593 WeakPolarHBondContact CB-OD2 3.43Å; M550-D593 PolarHBondContact N-OD2 2.99Å; M550-D593 PolarHBondContact O-N 3.16Å; D593-V683 WeakPolarHBondContact O-CA 3.39Å; D593-K684 HydrophobicContact CB-CD 4.45Å; D593-K684 PolarHBondContact O-N 2.85Å; D593-K684 WeakPolarHBondContact OD1-CD 3.32Å; D593-K684 WeakPolarHBondContact OD1-CE 3.45Å; D593-K684 IonicContact OD1-NZ 3.6Å; D593-K684 PolarHBondContact OD1-NZ 3.38Å
594	L	97.2	Very high	94	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	127.9	164.9	176.9	57.9	0	0	0	111.3	M550 L551 C552 H592 F596 W681 K682 V683 L700 V702 L727	M550-L594 PolarHBondContact O-N 3.04Å; M550-L594 VanDerWaalsContact O-N 3.1Å; L551-L594 CarbonylContact C-O 3.53Å; L551-L594 WeakPolarHBondContact CA-O 3.4Å; L551-L594 HydrophobicContact CD2-CB 3.85Å; L551-L594 HydrophobicContact CD2-CD2 4.24Å; C552-L594 PolarHBondContact N-O 2.81Å; H592-L594 VanDerWaalsContact C-N 3.25Å; H592-L594 PolarHBondContact O-N 2.96Å; L594-F596 HydrophobicContact CD2-CD2 4.33Å; L594-F596 HydrophobicContact CD2-CE2 3.5Å; L594-F596 HydrophobicContact CD2-CZ 3.63Å; L594-F596 HydrophobicContact CG-CD2 4.3Å; L594-F596 HydrophobicContact CG-CE2 3.95Å; L594-F596 HydrophobicContact CG-CZ 4.25Å; L594-W681 HydrophobicContact CD1-CB 4.12Å; L594-K682 WeakPolarHBondContact CA-O 3.33Å; L594-V683 HydrophobicContact CD1-CG2 4.18Å; L594-L700 HydrophobicContact CB-CD2 3.86Å; L594-V702 HydrophobicContact CD1-CG2 4.06Å; L594-V702 HydrophobicContact CD2-CG1 4.44Å; L594-V702 HydrophobicContact CD2-CG2 3.82Å; L594-V702 HydrophobicContact CG-CG2 4.49Å; L594-L727 HydrophobicContact CD2-CD1 4.08Å; L594-L727 HydrophobicContact CD2-CD2 3.9Å; L594-L727 HydrophobicContact CD2-CG 4.15Å
595	V	98.6	Very high	95.3	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.012	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.1	169.8	-177.2	0	0	0	0	109.5	C552 I589 H592 F644 W681 K682	C552-V595 HydrophobicContact CB-CG2 4.48Å; C552-V595 CarbonylContact O-C 3.54Å; C552-V595 WeakPolarHBondContact O-CA 3.49Å; I589-V595 HydrophobicContact CG2-CG1 3.76Å; I589-V595 HydrophobicContact CG2-CG2 4.35Å; I589-V595 WeakPolarHBondContact O-CG2 3.45Å; H592-V595 HydrophobicContact CB-CG2 4.08Å; V595-F644 HydrophobicContact CG1-CE1 4.31Å; V595-F644 HydrophobicContact CG1-CZ 4.39Å; V595-W681 CarbonylContact O-C 3.59Å; V595-W681 WeakPolarHBondContact O-CA 3.25Å; V595-K682 HydrophobicContact CB-CB 4.49Å; V595-K682 PolarHBondContact N-O 3.12Å; V595-K682 PolarHBondContact O-N 2.92Å
596	F	98.9	Very high	96.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	124.8	161.1	-67.8	-75.8	0	0	0	109.2	I422 V424 C552 F553 L554 L594 F598 L680 W681 F725	I422-F596 HydrophobicContact CD1-CE2 4.07Å; I422-F596 HydrophobicContact CD1-CZ 4.45Å; I422-F596 HydrophobicContact CG2-CE2 4.23Å; I422-F596 HydrophobicContact CG2-CZ 4.34Å; V424-F596 HydrophobicContact CG2-CD1 3.94Å; V424-F596 HydrophobicContact CG2-CD2 4.44Å; V424-F596 HydrophobicContact CG2-CE1 4.07Å; V424-F596 HydrophobicContact CG2-CG 4.13Å; V424-F596 HydrophobicContact CG2-CZ 4.35Å; C552-F596 PolarHBondContact O-N 3.15Å; F553-F596 HydrophobicContact CD1-CB 4.09Å; F553-F596 AromaticContact CD1-CD2 3.58Å; F553-F596 HydrophobicContact CD1-CD2 3.58Å; F553-F596 HydrophobicContact CD1-CE2 4.37Å; F553-F596 HydrophobicContact CD1-CG 4.15Å; F553-F596 AromaticContact CE1-CD2 3.33Å; F553-F596 HydrophobicContact CE1-CD2 3.33Å; F553-F596 AromaticContact CE1-CE2 3.68Å; F553-F596 HydrophobicContact CE1-CE2 3.68Å; F553-F596 HydrophobicContact CE1-CG 4.23Å; F553-F596 HydrophobicContact CG-CD2 4.46Å; F553-F596 HydrophobicContact CZ-CD2 4.05Å; F553-F596 HydrophobicContact CZ-CE2 4.15Å; L554-F596 PolarHBondContact N-O 3.35Å; L594-F596 HydrophobicContact CD2-CD2 4.33Å; L594-F596 HydrophobicContact CD2-CE2 3.5Å; L594-F596 HydrophobicContact CD2-CZ 3.63Å; L594-F596 HydrophobicContact CG-CD2 4.3Å; L594-F596 HydrophobicContact CG-CE2 3.95Å; L594-F596 HydrophobicContact CG-CZ 4.25Å; F596-F598 HydrophobicContact CB-CD1 3.92Å; F596-F598 HydrophobicContact CB-CE1 3.91Å; F596-L680 WeakPolarHBondContact CA-O 3.33Å; F596-W681 HydrophobicContact CD1-CB 3.73Å; F596-W681 HydrophobicContact CE1-CB 3.89Å; F596-F725 HydrophobicContact CD1-CD2 4.48Å; F596-F725 HydrophobicContact CD1-CE2 4.11Å; F596-F725 HydrophobicContact CD1-CZ 4.27Å; F596-F725 HydrophobicContact CE1-CD1 4.01Å; F596-F725 AromaticContact CE1-CD2 3.52Å; F596-F725 HydrophobicContact CE1-CD2 3.52Å; F596-F725 HydrophobicContact CE1-CE1 4.02Å; F596-F725 AromaticContact CE1-CE2 3.53Å; F596-F725 HydrophobicContact CE1-CE2 3.53Å; F596-F725 AromaticContact CE1-CG 3.77Å; F596-F725 HydrophobicContact CE1-CG 3.77Å; F596-F725 AromaticContact CE1-CZ 3.78Å; F596-F725 HydrophobicContact CE1-CZ 3.78Å; F596-F725 HydrophobicContact CZ-CB 4.36Å; F596-F725 AromaticContact CZ-CD2 3.96Å; F596-F725 HydrophobicContact CZ-CD2 3.96Å; F596-F725 HydrophobicContact CZ-CE2 4.4Å; F596-F725 HydrophobicContact CZ-CG 4.05Å
597	W	98.9	Very high	96.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115.7	172.6	174	40.5	0	0	0	109.2	L554 L558 F572 L601 F603 L631 L641 F644 L680	L554-W597 HydrophobicContact CD2-CG 4.37Å; L558-W597 HydrophobicContact CD1-CZ2 4.08Å; F572-W597 HydrophobicContact CB-CZ2 4.28Å; F572-W597 AromaticContact CD1-CH2 3.81Å; F572-W597 HydrophobicContact CD1-CH2 3.81Å; F572-W597 AromaticContact CD1-CZ2 3.76Å; F572-W597 HydrophobicContact CD1-CZ2 3.76Å; F572-W597 HydrophobicContact CD1-CZ3 4.31Å; F572-W597 HydrophobicContact CD2-CD2 4.31Å; F572-W597 AromaticContact CD2-CE2 3.62Å; F572-W597 AromaticContact CD2-CZ2 3.76Å; F572-W597 HydrophobicContact CD2-CZ2 3.76Å; F572-W597 AromaticContact CD2-NE1 3.65Å; F572-W597 HydrophobicContact CE1-CD2 4.07Å; F572-W597 AromaticContact CE1-CE3 3.96Å; F572-W597 HydrophobicContact CE1-CE3 3.96Å; F572-W597 AromaticContact CE1-CH2 3.83Å; F572-W597 HydrophobicContact CE1-CH2 3.83Å; F572-W597 AromaticContact CE1-CZ2 3.93Å; F572-W597 HydrophobicContact CE1-CZ2 3.93Å; F572-W597 AromaticContact CE1-CZ3 3.86Å; F572-W597 HydrophobicContact CE1-CZ3 3.86Å; F572-W597 AromaticContact CE2-CD1 3.71Å; F572-W597 AromaticContact CE2-CD2 3.64Å; F572-W597 HydrophobicContact CE2-CD2 3.64Å; F572-W597 AromaticContact CE2-CE2 3.41Å; F572-W597 VanDerWaalsContact CE2-CE2 3.41Å; F572-W597 HydrophobicContact CE2-CE3 4.35Å; F572-W597 AromaticContact CE2-CG 3.81Å; F572-W597 HydrophobicContact CE2-CG 3.81Å; F572-W597 AromaticContact CE2-CZ2 3.93Å; F572-W597 HydrophobicContact CE2-CZ2 3.93Å; F572-W597 AromaticContact CE2-NE1 3.47Å; F572-W597 HydrophobicContact CG-CH2 4.2Å; F572-W597 AromaticContact CG-CZ2 3.68Å; F572-W597 HydrophobicContact CG-CZ2 3.68Å; F572-W597 AromaticContact CZ-CD2 3.49Å; F572-W597 HydrophobicContact CZ-CD2 3.49Å; F572-W597 VanDerWaalsContact CZ-CD2 3.49Å; F572-W597 AromaticContact CZ-CE2 3.64Å; F572-W597 AromaticContact CZ-CE3 3.75Å; F572-W597 HydrophobicContact CZ-CE3 3.75Å; F572-W597 AromaticContact CZ-CG 3.92Å; F572-W597 HydrophobicContact CZ-CG 3.92Å; F572-W597 HydrophobicContact CZ-CH2 4.24Å; F572-W597 HydrophobicContact CZ-CZ2 4Å; F572-W597 HydrophobicContact CZ-CZ3 4.13Å; W597-L601 HydrophobicContact CD2-CD1 4.18Å; W597-L601 HydrophobicContact CE3-CD1 4.4Å; W597-L601 HydrophobicContact CH2-CD1 4.03Å; W597-L601 HydrophobicContact CZ2-CD1 3.77Å; W597-L601 HydrophobicContact CZ2-CD2 4.01Å; W597-L601 HydrophobicContact CZ2-CG 4.45Å; W597-L601 HydrophobicContact CZ3-CD1 4.32Å; W597-F603 HydrophobicContact CH2-CE2 4.45Å; W597-L631 HydrophobicContact CH2-CD1 4.22Å; W597-L631 HydrophobicContact CZ3-CD1 4.25Å; W597-L641 HydrophobicContact CE3-CD2 4.31Å; W597-L641 HydrophobicContact CH2-CD2 4.05Å; W597-L641 HydrophobicContact CZ3-CD1 4.48Å; W597-L641 HydrophobicContact CZ3-CD2 3.49Å; W597-L641 VanDerWaalsContact CZ3-CD2 3.49Å; W597-F644 HydrophobicContact CB-CD1 4.43Å; W597-F644 HydrophobicContact CB-CE1 3.73Å; W597-F644 HydrophobicContact CB-CZ 4.41Å; W597-F644 HydrophobicContact CE3-CD1 4.36Å; W597-F644 HydrophobicContact CE3-CE1 4.33Å; W597-L680 HydrophobicContact CE3-CB 4.44Å; W597-L680 HydrophobicContact CE3-CD1 4.21Å; W597-L680 HydrophobicContact CE3-CD2 4.36Å; W597-L680 HydrophobicContact CZ3-CD2 4.37Å; W597-L680 PolarHBondContact N-O 3.38Å; W597-L680 PolarHBondContact O-N 2.64Å
598	F	98.9	Very high	96.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	172.6	-171.9	54.9	-77.1	0	0	0	111.1	V424 A457 L506 F553 L554 N555 C556 F596 R678 I679	V424-F598 HydrophobicContact CG1-CB 4.36Å; V424-F598 HydrophobicContact CG1-CD1 3.8Å; V424-F598 HydrophobicContact CG1-CD2 3.76Å; V424-F598 HydrophobicContact CG1-CE1 3.9Å; V424-F598 HydrophobicContact CG1-CE2 3.84Å; V424-F598 HydrophobicContact CG1-CG 3.74Å; V424-F598 HydrophobicContact CG1-CZ 3.91Å; A457-F598 HydrophobicContact CB-CZ 4.23Å; L506-F598 HydrophobicContact CD1-CE2 4.02Å; L506-F598 HydrophobicContact CD1-CZ 3.67Å; L506-F598 HydrophobicContact CD2-CZ 4.45Å; F553-F598 HydrophobicContact CB-CE1 3.98Å; F553-F598 HydrophobicContact CB-CZ 4.17Å; F553-F598 HydrophobicContact CD1-CE1 4.23Å; F553-F598 HydrophobicContact CD1-CZ 4.48Å; L554-F598 WeakPolarHBondContact O-CD1 3.33Å; L554-F598 PolarHBondContact O-N 2.92Å; N555-F598 CarbonylContact C-O 3.59Å; N555-F598 WeakPolarHBondContact CA-O 3.29Å; N555-F598 HydrophobicContact CB-CD2 4.38Å; N555-F598 HydrophobicContact CB-CE2 4.07Å; N555-F598 HydrophobicContact CB-CZ 4.44Å; C556-F598 PolarHBondContact N-O 2.87Å; F596-F598 HydrophobicContact CB-CD1 3.92Å; F596-F598 HydrophobicContact CB-CE1 3.91Å; F598-R678 WeakPolarHBondContact CA-O 3.26Å; F598-R678 VanDerWaalsContact CB-O 3.26Å; F598-R678 WeakPolarHBondContact CB-O 3.44Å; F598-I679 HydrophobicContact CB-CB 4.28Å; F598-I679 HydrophobicContact CB-CG1 4.01Å; F598-I679 HydrophobicContact CB-CG2 4.27Å
599	G	98.9	Very high	96.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.7	-171.5	176.1	0	0	0	0	0	113.7	T426 C556 L601 D677 R678	T426-G599 WeakPolarHBondContact OG1-CA 3.37Å; C556-G599 VanDerWaalsContact O-CA 3.29Å; C556-G599 WeakPolarHBondContact O-CA 3.41Å; G599-L601 PolarHBondContact O-N 2.81Å; G599-D677 WeakPolarHBondContact O-CA 3.4Å; G599-R678 PolarHBondContact N-O 2.94Å; G599-R678 VanDerWaalsContact N-O 3.12Å; G599-R678 PolarHBondContact O-N 2.81Å
600	D	98.9	Very high	96.4	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.011	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	83.9	157.9	-176	-1.9	0	0	0	108.4	N428 Q461 C556 H557 L558 N602 T676 H718	N428-D600 HydrophobicContact CB-CB 4.24Å; N428-D600 PolarHBondContact ND2-OD2 3.47Å; Q461-D600 HydrophobicContact CB-CB 4.43Å; Q461-D600 HydrophobicContact CG-CB 4.03Å; C556-D600 PolarHBondContact O-N 2.88Å; C556-D600 VanDerWaalsContact O-N 3.16Å; H557-D600 WeakPolarHBondContact CA-O 3.44Å; H557-D600 IonicContact CD2-OD2 2.82Å; H557-D600 IonicContact CE1-OD2 3.42Å; H557-D600 IonicContact NE2-OD2 2.96Å; H557-D600 PolarHBondContact NE2-OD2 3.36Å; L558-D600 PolarHBondContact N-O 3.36Å; D600-N602 PolarHBondContact O-N 3.34Å; D600-N602 WeakPolarHBondContact OD1-CA 3.27Å; D600-N602 WeakPolarHBondContact OD1-CB 3.46Å; D600-N602 PolarHBondContact OD1-N 2.7Å; D600-N602 PolarHBondContact OD1-ND2 3.07Å; D600-N602 PolarHBondContact OD2-ND2 2.81Å; D600-T676 WeakPolarHBondContact OD1-CB 3.21Å; D600-H718 IonicContact OD2-CE1 3.73Å; D600-H718 PolarHBondContact OD2-CE1 2.95Å; D600-H718 VanDerWaalsContact OD2-CE1 3.25Å; D600-H718 IonicContact OD2-NE2 3.97Å
601	L	98.8	Very high	96.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.			trans	-73.5	-7.9	175.3	-53.6	-167.8	0	0	0	111.7	C556 L558 R568 W597 G599 F603 L631 T676 R678 L680	C556-L601 HydrophobicContact CB-CD2 3.76Å; L558-L601 HydrophobicContact CD1-CB 4.25Å; L558-L601 HydrophobicContact CD1-CD2 4.09Å; L558-L601 HydrophobicContact CG-CD2 4.38Å; R568-L601 WeakPolarHBondContact CD-O 3.33Å; W597-L601 HydrophobicContact CD2-CD1 4.18Å; W597-L601 HydrophobicContact CE3-CD1 4.4Å; W597-L601 HydrophobicContact CH2-CD1 4.03Å; W597-L601 HydrophobicContact CZ2-CD1 3.77Å; W597-L601 HydrophobicContact CZ2-CD2 4.01Å; W597-L601 HydrophobicContact CZ2-CG 4.45Å; W597-L601 HydrophobicContact CZ3-CD1 4.32Å; G599-L601 PolarHBondContact O-N 2.81Å; L601-F603 HydrophobicContact CB-CD2 3.81Å; L601-F603 HydrophobicContact CB-CE2 4.17Å; L601-F603 VanDerWaalsContact O-CD2 3.23Å; L601-F603 WeakPolarHBondContact O-CD2 3.49Å; L601-F603 PolarHBondContact O-N 3.35Å; L601-L631 HydrophobicContact CD1-CD2 3.95Å; L601-T676 PolarHBondContact N-O 3.29Å; L601-R678 HydrophobicContact CD1-CB 3.85Å; L601-R678 HydrophobicContact CD1-CG 4.39Å; L601-R678 HydrophobicContact CG-CB 4.17Å; L601-L680 HydrophobicContact CD1-CD1 3.63Å
602	N	98.6	Very high	96.5	Very high	2 Å²	2	31 Å²	31	1%	0.011	16%	0.158	C	C	.	.			trans	59.3	8.3	168	-112.5	-62.1	0	0	0	117	H557 L558 P559 A560 R568 D600 R604 T676	H557-N602 PolarHBondContact NE2-ND2 3.32Å; L558-N602 WeakPolarHBondContact O-CB 3.41Å; L558-N602 PolarHBondContact O-ND2 2.83Å; P559-N602 WeakPolarHBondContact O-CB 3.42Å; A560-N602 WeakPolarHBondContact CA-OD1 3.43Å; A560-N602 WeakPolarHBondContact CB-OD1 3.29Å; R568-N602 PolarHBondContact NH1-O 3.2Å; D600-N602 PolarHBondContact O-N 3.34Å; D600-N602 WeakPolarHBondContact OD1-CA 3.27Å; D600-N602 WeakPolarHBondContact OD1-CB 3.46Å; D600-N602 PolarHBondContact OD1-N 2.7Å; D600-N602 PolarHBondContact OD1-ND2 3.07Å; D600-N602 PolarHBondContact OD2-ND2 2.81Å; N602-R604 VanDerWaalsContact O-CD 3.3Å; N602-R604 WeakPolarHBondContact O-CD 3.44Å; N602-R604 WeakPolarHBondContact O-CG 3.4Å; N602-R604 PolarHBondContact O-NE 2.91Å; N602-R604 PolarHBondContact OD1-NH2 2.9Å; N602-T676 PolarHBondContact N-O 3.31Å
603	F	98.3	Very high	96.7	Very high	2 Å²	2	31 Å²	31	1%	0.009	16%	0.158	C	C	.	.			trans	-64.4	147.9	173.2	-71.4	-79.4	0	0	0	111.6	L558 R568 W597 L601 Q630 L631	L558-F603 HydrophobicContact CD1-CE2 4.3Å; R568-F603 HydrophobicContact CB-CE1 3.94Å; R568-F603 HydrophobicContact CB-CE2 4.29Å; R568-F603 HydrophobicContact CB-CZ 3.71Å; W597-F603 HydrophobicContact CH2-CE2 4.45Å; L601-F603 HydrophobicContact CB-CD2 3.81Å; L601-F603 HydrophobicContact CB-CE2 4.17Å; L601-F603 VanDerWaalsContact O-CD2 3.23Å; L601-F603 WeakPolarHBondContact O-CD2 3.49Å; L601-F603 PolarHBondContact O-N 3.35Å; F603-Q630 HydrophobicContact CB-CB 4.28Å; F603-Q630 HydrophobicContact CD1-CB 3.77Å; F603-Q630 HydrophobicContact CG-CB 4.5Å; F603-L631 HydrophobicContact CB-CB 3.9Å; F603-L631 HydrophobicContact CD1-CB 4.37Å; F603-L631 HydrophobicContact CD2-CB 3.86Å; F603-L631 HydrophobicContact CD2-CD1 4.04Å; F603-L631 HydrophobicContact CD2-CD2 4.19Å; F603-L631 HydrophobicContact CD2-CG 4.25Å; F603-L631 HydrophobicContact CE2-CD1 3.87Å; F603-L631 HydrophobicContact CG-CB 3.79Å; F603-L631 HydrophobicContact CZ-CD1 4.3Å
604	R	97.8	Very high	96.8	Very high	12 Å²	12	32.1 Å²	32.1	5%	0.045	16%	0.16	C	C	.	.			trans	-125.8	161.6	-167.8	-52.3	-55.8	179.6	118.1	-16.6	111.6	M562 N602 Q630 A674	M562-R604 HydrophobicContact CE-CB 3.82Å; M562-R604 HydrophobicContact CE-CG 4.44Å; M562-R604 HydrophobicContact SD-CB 3.44Å; M562-R604 WeakPolarHBondContact SD-CB 3.48Å; M562-R604 HydrophobicContact SD-CG 4.18Å; N602-R604 VanDerWaalsContact O-CD 3.3Å; N602-R604 WeakPolarHBondContact O-CD 3.44Å; N602-R604 WeakPolarHBondContact O-CG 3.4Å; N602-R604 PolarHBondContact O-NE 2.91Å; N602-R604 PolarHBondContact OD1-NH2 2.9Å; R604-Q630 WeakPolarHBondContact O-CB 3.41Å; R604-Q630 WeakPolarHBondContact O-CG 3.29Å; R604-Q630 PolarHBondContact O-N 3.03Å; R604-A674 HydrophobicContact CB-CB 4.46Å
605	I	97.3	Very high	96.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-79.7	121.5	168.9	-54.6	170.9	0	0	0	107.9	M562 Y608 V613 L625 K628 P653 K672 P673 W675	M562-I605 VanDerWaalsContact CE-O 3.29Å; M562-I605 WeakPolarHBondContact CE-O 3.48Å; I605-Y608 HydrophobicContact CG2-CD2 4.31Å; I605-V613 HydrophobicContact CD1-CG1 4.16Å; I605-V613 HydrophobicContact CG2-CG2 4.16Å; I605-L625 HydrophobicContact CD1-CB 4.16Å; I605-L625 HydrophobicContact CD1-CD1 4.03Å; I605-K628 CarbonylContact C-O 3.53Å; I605-K628 WeakPolarHBondContact CA-O 3.47Å; I605-K628 HydrophobicContact CG2-CB 4.26Å; I605-P653 HydrophobicContact CD1-CG 4.4Å; I605-K672 WeakPolarHBondContact O-CE 3.07Å; I605-K672 PolarHBondContact O-NZ 3Å; I605-P673 WeakPolarHBondContact CD1-O 3.5Å; I605-W675 HydrophobicContact CD1-CE3 3.96Å; I605-W675 HydrophobicContact CD1-CZ3 3.74Å; I605-W675 HydrophobicContact CG1-CE3 4.19Å; I605-W675 HydrophobicContact CG1-CZ3 4.23Å
606	E	93.6	Very high	96.7	Very high	75 Å²	75	36.7 Å²	36.7	35%	0.35	18%	0.18	S	C	.	.			trans	-90.2	-176.6	177.1	-162.1	134.6	-113	0	0	111.5	Y608 K628 Q630 M633	E606-Y608 PolarHBondContact O-N 2.95Å; E606-K628 PolarHBondContact N-O 3.42Å; E606-Q630 HydrophobicContact CB-CG 4.28Å; E606-Q630 PolarHBondContact OE1-NE2 3.37Å; E606-M633 HydrophobicContact CB-CE 3.79Å; E606-M633 HydrophobicContact CG-CE 4.45Å; E606-M633 WeakPolarHBondContact OE2-CE 3.2Å
607	S	90.9	Very high	96.6	Very high	95 Å²	95	37.7 Å²	37.7	66%	0.664	19%	0.185	S	C	*	.	S	Bend	trans	58.4	-52.8	172.6	-51.4	0	0	0	0	118.4
608	Y	93.6	Very high	96.5	Very high	64 Å²	64	43.8 Å²	43.8	25%	0.251	22%	0.218	S	C	.	.	S	Bend	trans	-76.2	148.8	-177.6	-61.3	-57.3	0	0	0	112.8	I605 E606 F612 Q624 L625 K628 K672	I605-Y608 HydrophobicContact CG2-CD2 4.31Å; E606-Y608 PolarHBondContact O-N 2.95Å; Y608-F612 AromaticContact CD1-CD1 3.36Å; Y608-F612 HydrophobicContact CD1-CD1 3.36Å; Y608-F612 AromaticContact CD1-CE1 3.56Å; Y608-F612 HydrophobicContact CD1-CE1 3.56Å; Y608-F612 AromaticContact CD1-CG 3.9Å; Y608-F612 HydrophobicContact CD1-CG 3.9Å; Y608-F612 HydrophobicContact CD1-CZ 4.27Å; Y608-F612 AromaticContact CD2-CD1 3.9Å; Y608-F612 HydrophobicContact CD2-CD1 3.9Å; Y608-F612 AromaticContact CD2-CE1 3.89Å; Y608-F612 HydrophobicContact CD2-CE1 3.89Å; Y608-F612 AromaticContact CE1-CD1 3.88Å; Y608-F612 HydrophobicContact CE1-CD1 3.88Å; Y608-F612 AromaticContact CE1-CE1 3.56Å; Y608-F612 HydrophobicContact CE1-CE1 3.56Å; Y608-F612 AromaticContact CE1-CZ 3.96Å; Y608-F612 HydrophobicContact CE1-CZ 3.96Å; Y608-F612 HydrophobicContact CE2-CD1 4.35Å; Y608-F612 AromaticContact CE2-CE1 3.87Å; Y608-F612 HydrophobicContact CE2-CE1 3.87Å; Y608-F612 AromaticContact CG-CD1 3.38Å; Y608-F612 HydrophobicContact CG-CD1 3.38Å; Y608-F612 AromaticContact CG-CE1 3.74Å; Y608-F612 HydrophobicContact CG-CE1 3.74Å; Y608-F612 HydrophobicContact CG-CG 4.22Å; Y608-F612 AromaticContact CZ-CE1 3.73Å; Y608-Q624 WeakPolarHBondContact CE2-O 3.32Å; Y608-L625 HydrophobicContact CD2-CD2 3.95Å; Y608-L625 HydrophobicContact CE2-CD2 4.29Å; Y608-K628 HydrophobicContact CD2-CB 4.15Å; Y608-K628 HydrophobicContact CD2-CG 3.87Å; Y608-K628 HydrophobicContact CE2-CB 4.02Å; Y608-K628 HydrophobicContact CE2-CG 3.34Å; Y608-K672 PolarHBondContact O-NZ 2.89Å
609	D	93.9	Very high	96.4	Very high	99 Å²	99	46.1 Å²	46.1	53%	0.529	24%	0.235	S	C	.	.			trans	-78.1	-178.9	172	67.5	54.3	0	0	0	113	H611 F612 V613	D609-H611 VanDerWaalsContact OD1-CA 3.3Å; D609-H611 WeakPolarHBondContact OD1-CA 3.41Å; D609-H611 VanDerWaalsContact OD1-CB 3.28Å; D609-H611 WeakPolarHBondContact OD1-CB 3.39Å; D609-H611 PolarHBondContact OD1-N 3.4Å; D609-F612 PolarHBondContact OD1-N 3.38Å; D609-V613 WeakPolarHBondContact O-CG2 3.3Å; D609-V613 PolarHBondContact O-N 3.12Å
610	L	94.8	Very high	96.3	Very high	53 Å²	53	52.1 Å²	52.1	28%	0.277	27%	0.266	S	S	.	.	H	α-helix	trans	-66.9	-34.4	179.3	179.4	65.8	0	0	0	113.4	K614 K670 K672	L610-K614 WeakPolarHBondContact O-CG 3.45Å; L610-K614 PolarHBondContact O-N 2.79Å; L610-K670 HydrophobicContact CD2-CB 3.9Å; L610-K670 HydrophobicContact CD2-CD 4.49Å; L610-K672 HydrophobicContact CD1-CB 4.2Å; L610-K672 HydrophobicContact CD1-CG 4.16Å
611	H	94.9	Very high	96.2	Very high	149 Å²	149	55.1 Å²	55.1	69%	0.69	28%	0.281	S	S	*	.	H	α-helix	trans	-73	-46.6	-177.3	-176.3	-88	0	0	0	110.7	D609 V613 K614 F615	D609-H611 VanDerWaalsContact OD1-CA 3.3Å; D609-H611 WeakPolarHBondContact OD1-CA 3.41Å; D609-H611 VanDerWaalsContact OD1-CB 3.28Å; D609-H611 WeakPolarHBondContact OD1-CB 3.39Å; D609-H611 PolarHBondContact OD1-N 3.4Å; H611-V613 PolarHBondContact O-N 2.88Å; H611-K614 PolarHBondContact O-N 2.85Å; H611-F615 WeakPolarHBondContact O-CB 3.36Å; H611-F615 PolarHBondContact O-N 2.97Å
612	F	96.8	Very high	96.1	Very high	57 Å²	57	55.6 Å²	55.6	25%	0.25	28%	0.283	C	S	.	.	H	α-helix	trans	-61.4	-43.8	175	-174.7	-88.2	0	0	0	111.9	Y608 D609 K614 F615 A616 Q624 L625	Y608-F612 AromaticContact CD1-CD1 3.36Å; Y608-F612 HydrophobicContact CD1-CD1 3.36Å; Y608-F612 AromaticContact CD1-CE1 3.56Å; Y608-F612 HydrophobicContact CD1-CE1 3.56Å; Y608-F612 AromaticContact CD1-CG 3.9Å; Y608-F612 HydrophobicContact CD1-CG 3.9Å; Y608-F612 HydrophobicContact CD1-CZ 4.27Å; Y608-F612 AromaticContact CD2-CD1 3.9Å; Y608-F612 HydrophobicContact CD2-CD1 3.9Å; Y608-F612 AromaticContact CD2-CE1 3.89Å; Y608-F612 HydrophobicContact CD2-CE1 3.89Å; Y608-F612 AromaticContact CE1-CD1 3.88Å; Y608-F612 HydrophobicContact CE1-CD1 3.88Å; Y608-F612 AromaticContact CE1-CE1 3.56Å; Y608-F612 HydrophobicContact CE1-CE1 3.56Å; Y608-F612 AromaticContact CE1-CZ 3.96Å; Y608-F612 HydrophobicContact CE1-CZ 3.96Å; Y608-F612 HydrophobicContact CE2-CD1 4.35Å; Y608-F612 AromaticContact CE2-CE1 3.87Å; Y608-F612 HydrophobicContact CE2-CE1 3.87Å; Y608-F612 AromaticContact CG-CD1 3.38Å; Y608-F612 HydrophobicContact CG-CD1 3.38Å; Y608-F612 AromaticContact CG-CE1 3.74Å; Y608-F612 HydrophobicContact CG-CE1 3.74Å; Y608-F612 HydrophobicContact CG-CG 4.22Å; Y608-F612 AromaticContact CZ-CE1 3.73Å; D609-F612 PolarHBondContact OD1-N 3.38Å; F612-K614 PolarHBondContact O-N 2.87Å; F612-F615 PolarHBondContact O-N 2.98Å; F612-A616 HydrophobicContact CE1-CB 4.46Å; F612-A616 WeakPolarHBondContact O-CB 3.33Å; F612-A616 PolarHBondContact O-N 2.89Å; F612-Q624 HydrophobicContact CZ-CB 4.49Å; F612-L625 HydrophobicContact CD1-CD2 4.08Å; F612-L625 HydrophobicContact CE1-CD2 3.9Å
613	V	97.3	Very high	95.9	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-42.2	176.8	170.7	0	0	0	0	111.6	I605 D609 H611 I617 L625 K672 P673	I605-V613 HydrophobicContact CD1-CG1 4.16Å; I605-V613 HydrophobicContact CG2-CG2 4.16Å; D609-V613 WeakPolarHBondContact O-CG2 3.3Å; D609-V613 PolarHBondContact O-N 3.12Å; H611-V613 PolarHBondContact O-N 2.88Å; V613-I617 HydrophobicContact CG1-CD1 3.89Å; V613-I617 VanDerWaalsContact O-CD1 3.3Å; V613-I617 WeakPolarHBondContact O-CD1 3.4Å; V613-I617 WeakPolarHBondContact O-CG1 3.37Å; V613-I617 PolarHBondContact O-N 3.12Å; V613-L625 HydrophobicContact CG1-CD1 4.32Å; V613-L625 HydrophobicContact CG2-CD2 4.07Å; V613-K672 HydrophobicContact CB-CD 4.27Å; V613-K672 HydrophobicContact CB-CG 4.07Å; V613-K672 HydrophobicContact CG1-CG 4.16Å; V613-K672 HydrophobicContact CG2-CD 3.75Å; V613-K672 HydrophobicContact CG2-CG 4.03Å; V613-P673 HydrophobicContact CG1-CB 3.92Å; V613-P673 HydrophobicContact CG1-CG 4.01Å
614	K	96.1	Very high	95.8	Very high	62 Å²	62	63.1 Å²	63.1	27%	0.27	32%	0.318	S	S	.	.	H	α-helix	trans	-65.1	-49.5	174.8	-75.1	-168	173.8	-164	0	111.8	L610 H611 F612 A616 I617 D618 Y664	L610-K614 WeakPolarHBondContact O-CG 3.45Å; L610-K614 PolarHBondContact O-N 2.79Å; H611-K614 PolarHBondContact O-N 2.85Å; F612-K614 PolarHBondContact O-N 2.87Å; K614-A616 VanDerWaalsContact C-N 3.3Å; K614-A616 PolarHBondContact O-N 2.87Å; K614-I617 PolarHBondContact O-N 3.31Å; K614-D618 WeakPolarHBondContact O-CB 3.22Å; K614-D618 PolarHBondContact O-N 3.48Å; K614-Y664 PolarHBondContact NZ-O 3.35Å
615	F	96.9	Very high	95.7	Very high	98 Å²	98	62.6 Å²	62.6	43%	0.43	32%	0.316	S	S	.	.	H	α-helix	trans	-52.6	-44.2	176.3	172.1	-95.8	0	0	0	113.2	H611 F612 I617 S619	H611-F615 WeakPolarHBondContact O-CB 3.36Å; H611-F615 PolarHBondContact O-N 2.97Å; F612-F615 PolarHBondContact O-N 2.98Å; F615-I617 VanDerWaalsContact C-N 3.35Å; F615-S619 WeakPolarHBondContact O-CB 3.45Å; F615-S619 PolarHBondContact O-N 2.62Å; F615-S619 PolarHBondContact O-OG 2.98Å
616	A	97.4	Very high	95.6	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-69.1	-29.9	178.6	0	0	0	0	0	113.1	F612 K614 N620 Q621 L625	F612-A616 HydrophobicContact CE1-CB 4.46Å; F612-A616 WeakPolarHBondContact O-CB 3.33Å; F612-A616 PolarHBondContact O-N 2.89Å; K614-A616 VanDerWaalsContact C-N 3.3Å; K614-A616 PolarHBondContact O-N 2.87Å; A616-N620 PolarHBondContact O-N 3.13Å; A616-Q621 CarbonylContact O-C 3.49Å; A616-Q621 WeakPolarHBondContact O-CA 3.45Å; A616-Q621 PolarHBondContact O-N 2.83Å; A616-L625 HydrophobicContact CB-CD1 4.01Å; A616-L625 HydrophobicContact CB-CD2 3.89Å; A616-L625 HydrophobicContact CB-CG 3.95Å
617	I	96.9	Very high	95.7	Very high	21 Å²	21	69.2 Å²	69.2	11%	0.108	34%	0.344	C	S	.	.	H	α-helix	trans	-74.1	-51.3	172.5	-63.3	160	0	0	0	110.3	V613 K614 F615 S619 N620 L622 L625 A652 P653 Y664 P673	V613-I617 HydrophobicContact CG1-CD1 3.89Å; V613-I617 VanDerWaalsContact O-CD1 3.3Å; V613-I617 WeakPolarHBondContact O-CD1 3.4Å; V613-I617 WeakPolarHBondContact O-CG1 3.37Å; V613-I617 PolarHBondContact O-N 3.12Å; K614-I617 PolarHBondContact O-N 3.31Å; F615-I617 VanDerWaalsContact C-N 3.35Å; I617-S619 PolarHBondContact O-N 2.86Å; I617-N620 PolarHBondContact O-N 2.84Å; I617-L622 HydrophobicContact CB-CD2 4.37Å; I617-L622 HydrophobicContact CG1-CD2 3.99Å; I617-L625 HydrophobicContact CG1-CD1 4.25Å; I617-A652 HydrophobicContact CG2-CB 4.14Å; I617-P653 HydrophobicContact CD1-CG 3.79Å; I617-P653 HydrophobicContact CG1-CG 4.09Å; I617-Y664 HydrophobicContact CD1-CE2 4.16Å; I617-Y664 HydrophobicContact CG2-CE2 4.03Å; I617-P673 HydrophobicContact CD1-CB 3.73Å; I617-P673 HydrophobicContact CD1-CG 3.9Å
618	D	96.8	Very high	96	Very high	129 Å²	129	67 Å²	67	69%	0.69	32%	0.322	S	S	*	.	H	α-helix	trans	-62.9	-30.3	-176.9	-60.9	-31.1	0	0	0	111.8	K614	K614-D618 WeakPolarHBondContact O-CB 3.22Å; K614-D618 PolarHBondContact O-N 3.48Å
619	S	97.3	Very high	96.2	Very high	49 Å²	49	64 Å²	64	34%	0.343	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	1	174.4	-51.5	0	0	0	0	114.3	F615 I617 Q621	F615-S619 WeakPolarHBondContact O-CB 3.45Å; F615-S619 PolarHBondContact O-N 2.62Å; F615-S619 PolarHBondContact O-OG 2.98Å; I617-S619 PolarHBondContact O-N 2.86Å; S619-Q621 PolarHBondContact O-N 3.21Å
620	N	95.9	Very high	96.4	Very high	125 Å²	125	59.7 Å²	59.7	67%	0.668	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	31.9	-172.7	-163.1	30	0	0	0	114.8	A616 I617 L622	A616-N620 PolarHBondContact O-N 3.13Å; I617-N620 PolarHBondContact O-N 2.84Å; N620-L622 VanDerWaalsContact C-N 3.31Å; N620-L622 PolarHBondContact O-N 2.91Å
621	Q	96.4	Very high	96.6	Very high	66 Å²	66	57.1 Å²	57.1	31%	0.308	27%	0.274	S	S	.	.			trans	-96.7	38.7	179	-62	-178.3	17.2	0	0	111.7	A616 S619 H623 Q624	A616-Q621 CarbonylContact O-C 3.49Å; A616-Q621 WeakPolarHBondContact O-CA 3.45Å; A616-Q621 PolarHBondContact O-N 2.83Å; S619-Q621 PolarHBondContact O-N 3.21Å; Q621-H623 PolarHBondContact O-N 3.48Å; Q621-Q624 HydrophobicContact CB-CG 4.47Å; Q621-Q624 PolarHBondContact O-N 2.85Å
622	L	96.3	Very high	96.7	Very high	10 Å²	10	51.5 Å²	51.5	5%	0.052	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-30.8	-172.5	-60.1	179	0	0	0	114.1	I617 N620 Q624 L625 W626 W675	I617-L622 HydrophobicContact CB-CD2 4.37Å; I617-L622 HydrophobicContact CG1-CD2 3.99Å; N620-L622 VanDerWaalsContact C-N 3.31Å; N620-L622 PolarHBondContact O-N 2.91Å; L622-Q624 PolarHBondContact O-N 2.82Å; L622-L625 WeakPolarHBondContact O-CB 3.48Å; L622-L625 PolarHBondContact O-N 2.89Å; L622-W626 VanDerWaalsContact O-CD1 3.31Å; L622-W626 PolarHBondContact O-NE1 3.04Å; L622-W675 HydrophobicContact CB-CH2 4.27Å; L622-W675 HydrophobicContact CB-CZ2 4.21Å; L622-W675 HydrophobicContact CD1-CZ2 4.45Å; L622-W675 HydrophobicContact CD2-CH2 4.43Å; L622-W675 HydrophobicContact CD2-CZ2 4.16Å
623	H	95.2	Very high	96.6	Very high	103 Å²	103	51.2 Å²	51.2	48%	0.477	25%	0.249	S	C	.	.	H	α-helix	trans	-56.9	-31.9	179	62.9	-92	0	0	0	113.8	Q621 L625 W626	Q621-H623 PolarHBondContact O-N 3.48Å; H623-L625 PolarHBondContact O-N 2.97Å; H623-W626 HydrophobicContact CB-CD2 4.21Å; H623-W626 HydrophobicContact CB-CE3 4.04Å; H623-W626 HydrophobicContact CB-CH2 4.27Å; H623-W626 HydrophobicContact CB-CZ2 4.42Å; H623-W626 HydrophobicContact CB-CZ3 4.07Å; H623-W626 WeakPolarHBondContact O-CB 3.22Å; H623-W626 PolarHBondContact O-N 2.9Å
624	Q	95.2	Very high	96.6	Very high	59 Å²	59	51.3 Å²	51.3	28%	0.276	25%	0.249	S	C	.	.	H	α-helix	trans	-65.6	-23.6	178.4	-62.2	176.5	8.3	0	0	112.4	Y608 F612 Q621 L622	Y608-Q624 WeakPolarHBondContact CE2-O 3.32Å; F612-Q624 HydrophobicContact CZ-CB 4.49Å; Q621-Q624 HydrophobicContact CB-CG 4.47Å; Q621-Q624 PolarHBondContact O-N 2.85Å; L622-Q624 PolarHBondContact O-N 2.82Å
625	L	96.8	Very high	96.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-86.3	-20.1	-179.7	-53.6	179.7	0	0	0	112.4	I605 Y608 F612 V613 A616 I617 L622 H623 E627 K628 D629 W675	I605-L625 HydrophobicContact CD1-CB 4.16Å; I605-L625 HydrophobicContact CD1-CD1 4.03Å; Y608-L625 HydrophobicContact CD2-CD2 3.95Å; Y608-L625 HydrophobicContact CE2-CD2 4.29Å; F612-L625 HydrophobicContact CD1-CD2 4.08Å; F612-L625 HydrophobicContact CE1-CD2 3.9Å; V613-L625 HydrophobicContact CG1-CD1 4.32Å; V613-L625 HydrophobicContact CG2-CD2 4.07Å; A616-L625 HydrophobicContact CB-CD1 4.01Å; A616-L625 HydrophobicContact CB-CD2 3.89Å; A616-L625 HydrophobicContact CB-CG 3.95Å; I617-L625 HydrophobicContact CG1-CD1 4.25Å; L622-L625 WeakPolarHBondContact O-CB 3.48Å; L622-L625 PolarHBondContact O-N 2.89Å; H623-L625 PolarHBondContact O-N 2.97Å; L625-E627 PolarHBondContact O-N 2.98Å; L625-K628 PolarHBondContact O-N 2.99Å; L625-K628 VanDerWaalsContact O-N 3.14Å; L625-D629 PolarHBondContact O-N 2.58Å; L625-D629 VanDerWaalsContact O-N 3.14Å; L625-W675 HydrophobicContact CB-CH2 3.87Å; L625-W675 HydrophobicContact CB-CZ3 3.7Å; L625-W675 HydrophobicContact CD1-CH2 4.06Å; L625-W675 HydrophobicContact CD1-CZ3 4.34Å
626	W	95.5	Very high	96.3	Very high	79 Å²	79	53.1 Å²	53.1	30%	0.299	26%	0.264	S	S	.	.	H	α-helix	trans	-63.6	-37.5	-172.5	-65.6	-10.3	0	0	0	113.3	L622 H623 K628 D629 N632 L649 W675	L622-W626 VanDerWaalsContact O-CD1 3.31Å; L622-W626 PolarHBondContact O-NE1 3.04Å; H623-W626 HydrophobicContact CB-CD2 4.21Å; H623-W626 HydrophobicContact CB-CE3 4.04Å; H623-W626 HydrophobicContact CB-CH2 4.27Å; H623-W626 HydrophobicContact CB-CZ2 4.42Å; H623-W626 HydrophobicContact CB-CZ3 4.07Å; H623-W626 WeakPolarHBondContact O-CB 3.22Å; H623-W626 PolarHBondContact O-N 2.9Å; W626-K628 PolarHBondContact O-N 2.84Å; W626-D629 PolarHBondContact O-N 3.04Å; W626-N632 VanDerWaalsContact O-CB 3.27Å; W626-N632 WeakPolarHBondContact O-CB 3.38Å; W626-N632 PolarHBondContact O-ND2 2.88Å; W626-L649 PolarHBondContact NE1-O 2.85Å; W626-W675 AromaticContact CD1-CH2 3.89Å
627	E	95.3	Very high	96.2	Very high	136 Å²	136	57.9 Å²	57.9	64%	0.636	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.9	178.1	-68.8	-167.4	170.9	0	0	113.7	L625 M633	L625-E627 PolarHBondContact O-N 2.98Å; E627-M633 WeakPolarHBondContact O-CG 3.32Å
628	K	96.8	Very high	96.1	Very high	49 Å²	49	58.2 Å²	58.2	21%	0.213	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	1.5	-178.4	-46.6	-53.8	176.9	-123.9	0	112.1	I605 E606 Y608 L625 W626 Q630	I605-K628 CarbonylContact C-O 3.53Å; I605-K628 WeakPolarHBondContact CA-O 3.47Å; I605-K628 HydrophobicContact CG2-CB 4.26Å; E606-K628 PolarHBondContact N-O 3.42Å; Y608-K628 HydrophobicContact CD2-CB 4.15Å; Y608-K628 HydrophobicContact CD2-CG 3.87Å; Y608-K628 HydrophobicContact CE2-CB 4.02Å; Y608-K628 HydrophobicContact CE2-CG 3.34Å; L625-K628 PolarHBondContact O-N 2.99Å; L625-K628 VanDerWaalsContact O-N 3.14Å; W626-K628 PolarHBondContact O-N 2.84Å; K628-Q630 PolarHBondContact O-N 2.84Å
629	D	97.8	Very high	96	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-65.2	119.9	165.1	170.4	-116.1	0	0	0	109.5	L625 W626 L631 N632 M633 R678	L625-D629 PolarHBondContact O-N 2.58Å; L625-D629 VanDerWaalsContact O-N 3.14Å; W626-D629 PolarHBondContact O-N 3.04Å; D629-L631 PolarHBondContact O-N 3.06Å; D629-L631 VanDerWaalsContact O-N 3.14Å; D629-L631 WeakPolarHBondContact OD1-CB 3.47Å; D629-L631 PolarHBondContact OD1-N 2.94Å; D629-N632 HydrophobicContact CB-CB 4.12Å; D629-N632 WeakPolarHBondContact O-CB 3.29Å; D629-N632 PolarHBondContact O-N 2.89Å; D629-N632 VanDerWaalsContact OD1-CG 3.28Å; D629-N632 PolarHBondContact OD1-N 3.06Å; D629-M633 PolarHBondContact O-N 3.39Å; D629-R678 VanDerWaalsContact CG-NH1 3.27Å; D629-R678 IonicContact OD1-CZ 3.77Å; D629-R678 IonicContact OD1-NH1 3.57Å; D629-R678 PolarHBondContact OD1-NH1 2.87Å; D629-R678 VanDerWaalsContact OD1-NH1 3.07Å; D629-R678 IonicContact OD1-NH2 3.33Å; D629-R678 PolarHBondContact OD1-NH2 3.17Å; D629-R678 IonicContact OD2-CZ 2.81Å; D629-R678 IonicContact OD2-NH1 3.54Å; D629-R678 PolarHBondContact OD2-NH1 3.47Å
630	Q	98.3	Very high	95.9	Very high	8 Å²	8	57 Å²	57	4%	0.037	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-24.3	-175.6	-74.4	170.6	-18.2	0	0	113.2	M562 F603 R604 E606 K628 M633 A634	M562-Q630 PolarHBondContact O-NE2 2.69Å; F603-Q630 HydrophobicContact CB-CB 4.28Å; F603-Q630 HydrophobicContact CD1-CB 3.77Å; F603-Q630 HydrophobicContact CG-CB 4.5Å; R604-Q630 WeakPolarHBondContact O-CB 3.41Å; R604-Q630 WeakPolarHBondContact O-CG 3.29Å; R604-Q630 PolarHBondContact O-N 3.03Å; E606-Q630 HydrophobicContact CB-CG 4.28Å; E606-Q630 PolarHBondContact OE1-NE2 3.37Å; K628-Q630 PolarHBondContact O-N 2.84Å; Q630-M633 HydrophobicContact CB-CE 4.32Å; Q630-M633 HydrophobicContact CG-CE 3.79Å; Q630-A634 WeakPolarHBondContact O-CB 3.37Å; Q630-A634 PolarHBondContact O-N 3.45Å
631	L	98.1	Very high	95.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-77.4	-39	173.8	-176.1	54.2	0	0	0	112	W597 L601 F603 D629 A634 K635 L641 R678 L680	W597-L631 HydrophobicContact CH2-CD1 4.22Å; W597-L631 HydrophobicContact CZ3-CD1 4.25Å; L601-L631 HydrophobicContact CD1-CD2 3.95Å; F603-L631 HydrophobicContact CB-CB 3.9Å; F603-L631 HydrophobicContact CD1-CB 4.37Å; F603-L631 HydrophobicContact CD2-CB 3.86Å; F603-L631 HydrophobicContact CD2-CD1 4.04Å; F603-L631 HydrophobicContact CD2-CD2 4.19Å; F603-L631 HydrophobicContact CD2-CG 4.25Å; F603-L631 HydrophobicContact CE2-CD1 3.87Å; F603-L631 HydrophobicContact CG-CB 3.79Å; F603-L631 HydrophobicContact CZ-CD1 4.3Å; D629-L631 PolarHBondContact O-N 3.06Å; D629-L631 VanDerWaalsContact O-N 3.14Å; D629-L631 WeakPolarHBondContact OD1-CB 3.47Å; D629-L631 PolarHBondContact OD1-N 2.94Å; L631-A634 PolarHBondContact O-N 3.27Å; L631-K635 WeakPolarHBondContact O-CG 3.25Å; L631-K635 PolarHBondContact O-N 2.66Å; L631-L641 HydrophobicContact CD1-CD1 3.85Å; L631-R678 HydrophobicContact CD2-CB 4.32Å; L631-R678 HydrophobicContact CD2-CG 4.03Å; L631-L680 HydrophobicContact CD2-CD1 3.85Å; L631-L680 HydrophobicContact CD2-CD2 4.21Å
632	N	96.9	Very high	95.7	Very high	30 Å²	30	56.2 Å²	56.2	16%	0.16	28%	0.278	C	S	.	.	H	α-helix	trans	-60.6	-45.1	169.2	-70.4	-20.6	0	0	0	111.8	W626 D629 A634 K635 N636	W626-N632 VanDerWaalsContact O-CB 3.27Å; W626-N632 WeakPolarHBondContact O-CB 3.38Å; W626-N632 PolarHBondContact O-ND2 2.88Å; D629-N632 HydrophobicContact CB-CB 4.12Å; D629-N632 WeakPolarHBondContact O-CB 3.29Å; D629-N632 PolarHBondContact O-N 2.89Å; D629-N632 VanDerWaalsContact OD1-CG 3.28Å; D629-N632 PolarHBondContact OD1-N 3.06Å; N632-A634 VanDerWaalsContact C-N 3.33Å; N632-A634 PolarHBondContact O-N 3.26Å; N632-K635 PolarHBondContact O-N 3.25Å; N632-K635 WeakPolarHBondContact OD1-CE 3.43Å; N632-K635 PolarHBondContact OD1-NZ 3.16Å; N632-N636 PolarHBondContact O-N 2.93Å
633	M	96.4	Very high	95.5	Very high	52 Å²	52	57.9 Å²	57.9	26%	0.256	30%	0.297	S	S	.	.	H	α-helix	trans	-62.1	-39.3	173.8	-64.2	-167.9	-65.5	0	0	112	E606 E627 D629 Q630 N636 T637	E606-M633 HydrophobicContact CB-CE 3.79Å; E606-M633 HydrophobicContact CG-CE 4.45Å; E606-M633 WeakPolarHBondContact OE2-CE 3.2Å; E627-M633 WeakPolarHBondContact O-CG 3.32Å; D629-M633 PolarHBondContact O-N 3.39Å; Q630-M633 HydrophobicContact CB-CE 4.32Å; Q630-M633 HydrophobicContact CG-CE 3.79Å; M633-N636 PolarHBondContact O-N 2.77Å; M633-T637 WeakPolarHBondContact O-CG2 3.37Å; M633-T637 PolarHBondContact O-N 2.91Å; M633-T637 PolarHBondContact O-OG1 2.96Å
634	A	96.4	Very high	95.6	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-65.6	-40.4	174.9	0	0	0	0	0	112.7	Q630 L631 N632 N636 T637 W638 L641	Q630-A634 WeakPolarHBondContact O-CB 3.37Å; Q630-A634 PolarHBondContact O-N 3.45Å; L631-A634 PolarHBondContact O-N 3.27Å; N632-A634 VanDerWaalsContact C-N 3.33Å; N632-A634 PolarHBondContact O-N 3.26Å; A634-N636 PolarHBondContact O-N 2.84Å; A634-T637 PolarHBondContact O-N 2.85Å; A634-T637 VanDerWaalsContact O-N 3.14Å; A634-W638 VanDerWaalsContact O-CB 3.25Å; A634-W638 WeakPolarHBondContact O-CB 3.42Å; A634-W638 PolarHBondContact O-N 3.31Å; A634-L641 HydrophobicContact CB-CD1 3.94Å
635	K	95.5	Very high	95.7	Very high	53 Å²	53	55.4 Å²	55.4	23%	0.23	29%	0.286	C	S	.	.	H	α-helix	trans	-58.5	-32.5	176.8	-77.8	178.5	-63.9	-172.6	0	112.4	L631 N632 L641 E646 L680	L631-K635 WeakPolarHBondContact O-CG 3.25Å; L631-K635 PolarHBondContact O-N 2.66Å; N632-K635 PolarHBondContact O-N 3.25Å; N632-K635 WeakPolarHBondContact OD1-CE 3.43Å; N632-K635 PolarHBondContact OD1-NZ 3.16Å; K635-L641 HydrophobicContact CG-CB 4.29Å; K635-L641 HydrophobicContact CG-CD1 3.88Å; K635-E646 IonicContact NZ-OE2 2.71Å; K635-E646 PolarHBondContact NZ-OE2 3.35Å; K635-L680 HydrophobicContact CD-CD2 4.07Å
636	N	92.1	Very high	95.8	Very high	146 Å²	146	56.8 Å²	56.8	78%	0.781	29%	0.292	S	S	*	.	H	α-helix	trans	-83.2	-26	177.9	-65.5	-15.2	0	0	0	114	N632 M633 A634	N632-N636 PolarHBondContact O-N 2.93Å; M633-N636 PolarHBondContact O-N 2.77Å; A634-N636 PolarHBondContact O-N 2.84Å
637	T	93.4	Very high	95.8	Very high	100 Å²	100	53.4 Å²	53.4	61%	0.613	28%	0.282	S	S	*	.	H	α-helix	trans	-111.5	-18.8	-169.8	54.3	0	0	0	0	114.8	M633 A634	M633-T637 WeakPolarHBondContact O-CG2 3.37Å; M633-T637 PolarHBondContact O-N 2.91Å; M633-T637 PolarHBondContact O-OG1 2.96Å; A634-T637 PolarHBondContact O-N 2.85Å; A634-T637 VanDerWaalsContact O-N 3.14Å
638	W	95.4	Very high	95.8	Very high	27 Å²	27	50.4 Å²	50.4	10%	0.102	27%	0.274	C	S	.	.			trans	-114.9	109.2	-169.6	-170.7	36.7	0	0	0	112.2	K569 F572 Q573 A634 I640 L641	K569-W638 HydrophobicContact CB-CD2 4.31Å; K569-W638 HydrophobicContact CB-CE3 4.27Å; K569-W638 HydrophobicContact CB-CH2 3.56Å; K569-W638 HydrophobicContact CB-CZ2 3.55Å; K569-W638 HydrophobicContact CB-CZ3 3.94Å; K569-W638 HydrophobicContact CD-CD2 3.97Å; K569-W638 HydrophobicContact CD-CE3 4.17Å; K569-W638 HydrophobicContact CD-CG 4.22Å; K569-W638 HydrophobicContact CG-CD2 4.03Å; K569-W638 HydrophobicContact CG-CE3 3.81Å; K569-W638 HydrophobicContact CG-CH2 3.99Å; K569-W638 HydrophobicContact CG-CZ2 4.16Å; K569-W638 HydrophobicContact CG-CZ3 3.81Å; K569-W638 WeakPolarHBondContact O-CH2 3.02Å; F572-W638 HydrophobicContact CB-CH2 4.13Å; F572-W638 AromaticContact CD1-CH2 3.64Å; F572-W638 HydrophobicContact CD1-CH2 3.64Å; F572-W638 AromaticContact CD1-CZ3 3.8Å; F572-W638 HydrophobicContact CD1-CZ3 3.8Å; F572-W638 HydrophobicContact CG-CH2 4.37Å; Q573-W638 HydrophobicContact CG-CZ2 3.83Å; A634-W638 VanDerWaalsContact O-CB 3.25Å; A634-W638 WeakPolarHBondContact O-CB 3.42Å; A634-W638 PolarHBondContact O-N 3.31Å; W638-I640 HydrophobicContact CD2-CB 4.33Å; W638-I640 HydrophobicContact CH2-CG2 4.45Å; W638-I640 HydrophobicContact CZ2-CB 4.24Å; W638-I640 HydrophobicContact CZ2-CD1 3.98Å; W638-I640 HydrophobicContact CZ2-CG2 4.39Å; W638-I640 PolarHBondContact O-N 2.82Å; W638-L641 HydrophobicContact CD2-CG 4.37Å; W638-L641 HydrophobicContact CE3-CD1 3.78Å; W638-L641 HydrophobicContact CE3-CD2 3.99Å; W638-L641 HydrophobicContact CE3-CG 3.56Å; W638-L641 HydrophobicContact CZ3-CD1 4.32Å; W638-L641 HydrophobicContact CZ3-CD2 3.96Å; W638-L641 HydrophobicContact CZ3-CG 4.07Å; W638-L641 PolarHBondContact O-N 3.02Å
639	P	94.5	Very high	95.8	Very high	106 Å²	106	48.4 Å²	48.4	69%	0.688	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-58.2	-23.6	-170.2	-29.9	36.6	0	0	0	116.5	L641 K642	P639-L641 PolarHBondContact O-N 2.84Å; P639-K642 WeakPolarHBondContact O-CB 3.13Å; P639-K642 PolarHBondContact O-N 3.2Å; P639-K642 VanDerWaalsContact O-N 3.11Å
640	I	94.8	Very high	95.7	Very high	47 Å²	47	53.9 Å²	53.9	24%	0.241	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-64.6	-30.2	177.7	-74.1	175.3	0	0	0	111.9	F572 Q573 L576 W638 K642	F572-I640 HydrophobicContact CD1-CG2 4.44Å; F572-I640 HydrophobicContact CE1-CG2 4.13Å; Q573-I640 HydrophobicContact CG-CD1 3.29Å; L576-I640 HydrophobicContact CD1-CG2 3.69Å; W638-I640 HydrophobicContact CD2-CB 4.33Å; W638-I640 HydrophobicContact CH2-CG2 4.45Å; W638-I640 HydrophobicContact CZ2-CB 4.24Å; W638-I640 HydrophobicContact CZ2-CD1 3.98Å; W638-I640 HydrophobicContact CZ2-CG2 4.39Å; W638-I640 PolarHBondContact O-N 2.82Å; I640-K642 PolarHBondContact O-N 3.47Å
641	L	95.8	Very high	95.6	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.021	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-79.1	-3	176.8	-57.8	-169.7	0	0	0	113.4	F572 W597 L631 A634 K635 W638 P639 G643 F644	F572-L641 HydrophobicContact CD1-CD2 4.31Å; F572-L641 HydrophobicContact CE1-CD2 3.78Å; W597-L641 HydrophobicContact CE3-CD2 4.31Å; W597-L641 HydrophobicContact CH2-CD2 4.05Å; W597-L641 HydrophobicContact CZ3-CD1 4.48Å; W597-L641 HydrophobicContact CZ3-CD2 3.49Å; W597-L641 VanDerWaalsContact CZ3-CD2 3.49Å; L631-L641 HydrophobicContact CD1-CD1 3.85Å; A634-L641 HydrophobicContact CB-CD1 3.94Å; K635-L641 HydrophobicContact CG-CB 4.29Å; K635-L641 HydrophobicContact CG-CD1 3.88Å; W638-L641 HydrophobicContact CD2-CG 4.37Å; W638-L641 HydrophobicContact CE3-CD1 3.78Å; W638-L641 HydrophobicContact CE3-CD2 3.99Å; W638-L641 HydrophobicContact CE3-CG 3.56Å; W638-L641 HydrophobicContact CZ3-CD1 4.32Å; W638-L641 HydrophobicContact CZ3-CD2 3.96Å; W638-L641 HydrophobicContact CZ3-CG 4.07Å; W638-L641 PolarHBondContact O-N 3.02Å; P639-L641 PolarHBondContact O-N 2.84Å; L641-G643 PolarHBondContact O-N 2.86Å; L641-G643 VanDerWaalsContact O-N 3.16Å; L641-F644 HydrophobicContact CD2-CD2 4.32Å; L641-F644 WeakPolarHBondContact O-CB 3.19Å; L641-F644 PolarHBondContact O-N 3.32Å
642	K	93.1	Very high	95.6	Very high	171 Å²	171	55.8 Å²	55.8	74%	0.743	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	121.4	176.6	-172	175.9	-179.5	178.5	0	110.6	P639 I640 K682	P639-K642 WeakPolarHBondContact O-CB 3.13Å; P639-K642 PolarHBondContact O-N 3.2Å; P639-K642 VanDerWaalsContact O-N 3.11Å; I640-K642 PolarHBondContact O-N 3.47Å; K642-K682 PolarHBondContact O-NZ 3.04Å
643	G	92.3	Very high	95.7	Very high	45 Å²	45	54.4 Å²	54.4	46%	0.464	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	-4.6	-177.5	0	0	0	0	0	115.2	L641 K682	L641-G643 PolarHBondContact O-N 2.86Å; L641-G643 VanDerWaalsContact O-N 3.16Å; G643-K682 WeakPolarHBondContact O-CG 3.4Å
644	F	97.5	Very high	95.8	Very high	17 Å²	17	51.9 Å²	51.9	8%	0.075	29%	0.289	C	S	.	.			trans	-75.3	134.2	162.5	-79.1	-87.4	0	0	0	109.8	F572 L590 V595 W597 L641 L680 W681 K682	F572-F644 HydrophobicContact CZ-CE2 4.46Å; F572-F644 HydrophobicContact CZ-CZ 4.19Å; L590-F644 HydrophobicContact CD2-CE2 3.82Å; L590-F644 HydrophobicContact CD2-CZ 3.71Å; V595-F644 HydrophobicContact CG1-CE1 4.31Å; V595-F644 HydrophobicContact CG1-CZ 4.39Å; W597-F644 HydrophobicContact CB-CD1 4.43Å; W597-F644 HydrophobicContact CB-CE1 3.73Å; W597-F644 HydrophobicContact CB-CZ 4.41Å; W597-F644 HydrophobicContact CE3-CD1 4.36Å; W597-F644 HydrophobicContact CE3-CE1 4.33Å; L641-F644 HydrophobicContact CD2-CD2 4.32Å; L641-F644 WeakPolarHBondContact O-CB 3.19Å; L641-F644 PolarHBondContact O-N 3.32Å; F644-L680 HydrophobicContact CD1-CB 4.16Å; F644-W681 CarbonylContact C-O 3.58Å; F644-W681 WeakPolarHBondContact CA-O 3.47Å; F644-K682 HydrophobicContact CD1-CB 3.67Å; F644-K682 HydrophobicContact CD2-CB 4.2Å; F644-K682 HydrophobicContact CD2-CD 3.63Å; F644-K682 HydrophobicContact CE1-CB 3.72Å; F644-K682 HydrophobicContact CE2-CB 4.28Å; F644-K682 HydrophobicContact CE2-CD 3.58Å; F644-K682 HydrophobicContact CG-CB 3.92Å; F644-K682 HydrophobicContact CG-CD 4.17Å; F644-K682 HydrophobicContact CZ-CB 4.05Å; F644-K682 HydrophobicContact CZ-CD 4.05Å
645	Q	97.6	Very high	95.9	Very high	93 Å²	93	52.4 Å²	52.4	44%	0.435	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	153.3	176.2	-67.7	171.5	95.5	0	0	109	L680 W681	Q645-L680 CarbonylContact O-C 3.58Å; Q645-L680 VanDerWaalsContact O-CA 3.24Å; Q645-L680 WeakPolarHBondContact O-CA 3.41Å; Q645-L680 WeakPolarHBondContact O-CB 3.17Å; Q645-W681 HydrophobicContact CB-CD2 3.89Å; Q645-W681 HydrophobicContact CB-CE3 4.16Å; Q645-W681 HydrophobicContact CB-CH2 3.92Å; Q645-W681 HydrophobicContact CB-CZ2 3.61Å; Q645-W681 HydrophobicContact CB-CZ3 4.19Å; Q645-W681 HydrophobicContact CG-CZ2 4.49Å; Q645-W681 PolarHBondContact N-O 3.41Å; Q645-W681 PolarHBondContact O-N 2.97Å
646	E	98.2	Very high	96	Very high	28 Å²	28	51.8 Å²	51.8	13%	0.131	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	144.5	174.9	-171.4	178	-168.3	0	0	107.8	K635 R678 L680 Y707	K635-E646 IonicContact NZ-OE2 2.71Å; K635-E646 PolarHBondContact NZ-OE2 3.35Å; E646-R678 IonicContact OE1-CZ 3.24Å; E646-R678 IonicContact OE1-NE 2.97Å; E646-R678 PolarHBondContact OE1-NE 2.95Å; E646-R678 IonicContact OE1-NH2 3.88Å; E646-R678 PolarHBondContact OE1-NH2 3.2Å; E646-R678 IonicContact OE2-CZ 3.38Å; E646-R678 IonicContact OE2-NE 3.85Å; E646-R678 IonicContact OE2-NH2 2.7Å; E646-R678 PolarHBondContact OE2-NH2 2.86Å; E646-L680 HydrophobicContact CB-CD2 4.13Å; E646-L680 HydrophobicContact CB-CG 4.03Å; E646-L680 HydrophobicContact CG-CG 4.14Å; E646-Y707 HydrophobicContact CG-CE1 3.75Å; E646-Y707 PolarHBondContact OE1-OH 2.85Å
647	G	96.3	Very high	96.3	Very high	8 Å²	8	44.9 Å²	44.9	8%	0.082	25%	0.251	C	S	.	.			trans	-69.4	164.3	174.3	0	0	0	0	0	112.9	L649	G647-L649 PolarHBondContact O-N 3.38Å
648	P	94.6	Very high	96.5	Very high	74 Å²	74	41.6 Å²	41.6	48%	0.481	23%	0.23	S	C	.	.			trans	-63.8	135	173.8	29	-35.1	0	0	0	110.6	N650	P648-N650 PolarHBondContact O-N 2.85Å
649	L	96.4	Very high	96.6	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.031	25%	0.252	C	S	.	.			trans	-78.1	66.5	179	-64.3	171.9	0	0	0	110.6	W626 G647 F651 W675 Y707	W626-L649 PolarHBondContact NE1-O 2.85Å; G647-L649 PolarHBondContact O-N 3.38Å; L649-F651 HydrophobicContact CD2-CE1 4.19Å; L649-F651 HydrophobicContact CD2-CE2 4.4Å; L649-F651 HydrophobicContact CD2-CZ 3.79Å; L649-F651 PolarHBondContact O-N 2.64Å; L649-W675 HydrophobicContact CB-CZ2 4.38Å; L649-W675 HydrophobicContact CD1-CB 4.4Å; L649-W675 HydrophobicContact CD1-CD2 3.92Å; L649-W675 HydrophobicContact CD1-CE3 4.15Å; L649-W675 HydrophobicContact CD1-CG 4.05Å; L649-W675 HydrophobicContact CD2-CG 4.34Å; L649-Y707 HydrophobicContact CD2-CE1 3.8Å
650	N	95.4	Very high	96.8	Very high	116 Å²	116	42 Å²	42	62%	0.62	24%	0.243	S	C	*	.			trans	-81.6	19.8	-179.2	-68.5	-15.2	0	0	0	113.1	P648	P648-N650 PolarHBondContact O-N 2.85Å
651	F	97.6	Very high	96.9	Very high	19 Å²	19	42 Å²	42	8%	0.083	25%	0.246	C	C	.	.	S	Bend	trans	-133.5	151	178.9	54.4	-91.6	0	0	0	109.6	L649 T654 W675 Y707 S709 V721	L649-F651 HydrophobicContact CD2-CE1 4.19Å; L649-F651 HydrophobicContact CD2-CE2 4.4Å; L649-F651 HydrophobicContact CD2-CZ 3.79Å; L649-F651 PolarHBondContact O-N 2.64Å; F651-T654 HydrophobicContact CD2-CG2 4.23Å; F651-T654 HydrophobicContact CE2-CG2 3.84Å; F651-W675 AromaticContact CE2-CD1 3.74Å; F651-W675 PolarHBondContact O-NE1 3.46Å; F651-Y707 AromaticContact CE1-CD1 3.83Å; F651-Y707 HydrophobicContact CE1-CD1 3.83Å; F651-Y707 HydrophobicContact CE1-CD2 4.05Å; F651-Y707 HydrophobicContact CE1-CE1 4Å; F651-Y707 HydrophobicContact CE1-CE2 4.21Å; F651-Y707 AromaticContact CE1-CG 3.88Å; F651-Y707 HydrophobicContact CE1-CG 3.88Å; F651-Y707 HydrophobicContact CZ-CD1 4.4Å; F651-Y707 HydrophobicContact CZ-CD2 4.32Å; F651-Y707 HydrophobicContact CZ-CE1 4.13Å; F651-Y707 HydrophobicContact CZ-CE2 4.04Å; F651-Y707 AromaticContact CZ-CZ 3.96Å; F651-S709 VanDerWaalsContact CD2-CB 3.44Å; F651-V721 HydrophobicContact CE2-CG1 4.48Å; F651-V721 HydrophobicContact CE2-CG2 4.21Å; F651-V721 HydrophobicContact CZ-CG1 4.05Å
652	A	97.7	Very high	97	Very high	29 Å²	29	45.6 Å²	45.6	24%	0.24	27%	0.265	C	S	.	.			trans	-64.4	156.4	-177.5	0	0	0	0	0	112.3	I617 T654 Y664	I617-A652 HydrophobicContact CG2-CB 4.14Å; A652-T654 PolarHBondContact O-N 2.89Å; A652-Y664 WeakPolarHBondContact CB-OH 3.33Å
653	P	98.4	Very high	97.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.259	C	S	.	.			trans	-51.1	134.9	178.1	-32	39.3	0	0	0	114	I605 I617 Y664 P673 W675	I605-P653 HydrophobicContact CD1-CG 4.4Å; I617-P653 HydrophobicContact CD1-CG 3.79Å; I617-P653 HydrophobicContact CG1-CG 4.09Å; P653-Y664 HydrophobicContact CB-CE1 4.48Å; P653-Y664 VanDerWaalsContact O-CE1 3.29Å; P653-Y664 WeakPolarHBondContact O-CE1 3.31Å; P653-Y664 PolarHBondContact O-OH 3.08Å; P653-P673 HydrophobicContact CB-CB 3.78Å; P653-P673 HydrophobicContact CG-CB 4.18Å; P653-W675 HydrophobicContact CB-CD2 4.39Å; P653-W675 HydrophobicContact CG-CD2 4.02Å; P653-W675 HydrophobicContact CG-CE3 4.28Å; P653-W675 HydrophobicContact CG-CH2 4.12Å; P653-W675 HydrophobicContact CG-CZ2 3.84Å; P653-W675 HydrophobicContact CG-CZ3 4.32Å
654	T	98.6	Very high	97.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.242	C	C	.	.			trans	-82.9	-16.4	-167	55.7	0	0	0	0	114.3	F651 A652 F657 A674 T676 D677 H718 K719 V721	F651-T654 HydrophobicContact CD2-CG2 4.23Å; F651-T654 HydrophobicContact CE2-CG2 3.84Å; A652-T654 PolarHBondContact O-N 2.89Å; T654-F657 WeakPolarHBondContact O-CD2 3.34Å; T654-F657 VanDerWaalsContact O-CE2 3.29Å; T654-F657 WeakPolarHBondContact O-CE2 3.29Å; T654-A674 PolarHBondContact N-O 2.88Å; T654-A674 VanDerWaalsContact N-O 3.14Å; T654-T676 PolarHBondContact OG1-N 3.34Å; T654-T676 PolarHBondContact OG1-OG1 2.68Å; T654-D677 WeakPolarHBondContact CB-OD2 3.17Å; T654-D677 HydrophobicContact CG2-CB 4.35Å; T654-D677 PolarHBondContact OG1-N 3.14Å; T654-D677 PolarHBondContact OG1-OD2 2.92Å; T654-H718 CarbonylContact O-C 3.56Å; T654-H718 WeakPolarHBondContact O-CA 3.32Å; T654-K719 PolarHBondContact O-N 2.94Å; T654-V721 HydrophobicContact CG2-CG2 3.47Å; T654-V721 VanDerWaalsContact CG2-CG2 3.47Å
655	F	98.5	Very high	97.3	Very high	11 Å²	11	42.9 Å²	42.9	5%	0.048	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-134	151.5	178.7	171	-92.7	0	0	0	109.3	R671 P673 A674 T676 H718	F655-R671 HydrophobicContact CE1-CB 4.35Å; F655-P673 CarbonylContact O-C 3.58Å; F655-P673 WeakPolarHBondContact O-CA 3.13Å; F655-A674 PolarHBondContact N-O 3.4Å; F655-A674 PolarHBondContact O-N 3.29Å; F655-T676 HydrophobicContact CB-CG2 4.03Å; F655-T676 WeakPolarHBondContact CB-OG1 3.32Å; F655-T676 HydrophobicContact CD1-CG2 4.08Å; F655-T676 HydrophobicContact CG-CG2 4.17Å; F655-H718 AromaticContact CD2-CD2 3.54Å; F655-H718 AromaticContact CD2-CE1 3.55Å; F655-H718 AromaticContact CD2-NE2 3.17Å; F655-H718 WeakPolarHBondContact CD2-NE2 3.39Å; F655-H718 AromaticContact CE2-NE2 3.6Å
656	K	97.8	Very high	97.1	Very high	40 Å²	40	43.1 Å²	43.1	17%	0.174	25%	0.248	C	C	.	.			cis	-109.2	132	-6.9	178.9	170.6	161.6	47.2	0	110	Y664 D665 R671 D717	K656-Y664 CarbonylContact O-C 3.52Å; K656-Y664 VanDerWaalsContact O-CA 3.32Å; K656-Y664 WeakPolarHBondContact O-CA 3.31Å; K656-Y664 WeakPolarHBondContact O-CD1 3.38Å; K656-D665 HydrophobicContact CB-CB 4.13Å; K656-D665 HydrophobicContact CD-CB 4.17Å; K656-D665 HydrophobicContact CG-CB 4.05Å; K656-D665 PolarHBondContact O-N 3.02Å; K656-R671 HydrophobicContact CB-CB 4.16Å; K656-R671 HydrophobicContact CD-CB 4.15Å; K656-R671 HydrophobicContact CD-CG 4.11Å; K656-D717 HydrophobicContact CG-CB 4.09Å; K656-D717 VanDerWaalsContact NZ-CG 3.35Å; K656-D717 IonicContact NZ-OD2 3.07Å; K656-D717 PolarHBondContact NZ-OD2 3.44Å
657	F	98.1	Very high	96.9	Very high	1 Å²	1	44 Å²	44	0%	0.004	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-98.5	159.8	173.5	-66.6	-82.9	0	0	0	112.8	T654 K663 Y664 M711 D717 K719	T654-F657 WeakPolarHBondContact O-CD2 3.34Å; T654-F657 VanDerWaalsContact O-CE2 3.29Å; T654-F657 WeakPolarHBondContact O-CE2 3.29Å; F657-K663 CarbonylContact C-O 3.57Å; F657-K663 VanDerWaalsContact CA-O 3.29Å; F657-K663 WeakPolarHBondContact CA-O 3.41Å; F657-K663 WeakPolarHBondContact CD1-O 3.3Å; F657-Y664 HydrophobicContact CD1-CD1 4.18Å; F657-Y664 HydrophobicContact CD1-CE1 4.3Å; F657-Y664 HydrophobicContact CD2-CE1 4.49Å; F657-Y664 AromaticContact CE1-CD1 3.85Å; F657-Y664 HydrophobicContact CE1-CD1 3.85Å; F657-Y664 HydrophobicContact CE1-CD2 4.33Å; F657-Y664 AromaticContact CE1-CE1 3.59Å; F657-Y664 HydrophobicContact CE1-CE1 3.59Å; F657-Y664 HydrophobicContact CE1-CE2 4.09Å; F657-Y664 HydrophobicContact CE1-CG 4.21Å; F657-Y664 AromaticContact CE1-CZ 3.71Å; F657-Y664 HydrophobicContact CE2-CD1 4.44Å; F657-Y664 AromaticContact CE2-CE1 3.81Å; F657-Y664 HydrophobicContact CE2-CE1 3.81Å; F657-Y664 HydrophobicContact CZ-CD1 4Å; F657-Y664 AromaticContact CZ-CE1 3.3Å; F657-Y664 HydrophobicContact CZ-CE1 3.3Å; F657-Y664 HydrophobicContact CZ-CE2 4.27Å; F657-Y664 AromaticContact CZ-CZ 3.47Å; F657-Y664 VanDerWaalsContact CZ-CZ 3.47Å; F657-M711 HydrophobicContact CE1-CE 3.83Å; F657-M711 HydrophobicContact CZ-CE 3.7Å; F657-M711 HydrophobicContact CZ-SD 4.28Å; F657-D717 PolarHBondContact N-O 3.24Å; F657-D717 WeakPolarHBondContact O-CB 3.36Å; F657-K719 HydrophobicContact CD2-CG 3.7Å; F657-K719 HydrophobicContact CE2-CB 4.33Å; F657-K719 HydrophobicContact CE2-CG 3.44Å; F657-K719 VanDerWaalsContact CE2-CG 3.44Å; F657-K719 HydrophobicContact CZ-CG 4.1Å
658	D	98.1	Very high	96.5	Very high	31 Å²	31	48.8 Å²	48.8	17%	0.166	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-78.5	122.7	159.5	-60.8	-37.5	0	0	0	108.1	T661 K663 D665 T666	D658-T661 WeakPolarHBondContact O-CA 3.13Å; D658-T661 WeakPolarHBondContact O-CB 3.23Å; D658-T661 PolarHBondContact O-N 3.2Å; D658-T661 PolarHBondContact O-OG1 2.9Å; D658-K663 PolarHBondContact N-O 2.99Å; D658-D665 WeakPolarHBondContact OD1-CA 3.44Å; D658-T666 PolarHBondContact OD1-N 2.95Å; D658-T666 PolarHBondContact OD1-OG1 3.3Å; D658-T666 VanDerWaalsContact OD2-CB 3.32Å; D658-T666 WeakPolarHBondContact OD2-CB 3.38Å; D658-T666 VanDerWaalsContact OD2-CG2 3.22Å; D658-T666 WeakPolarHBondContact OD2-CG2 3.3Å; D658-T666 PolarHBondContact OD2-N 3.09Å; D658-T666 PolarHBondContact OD2-OG1 3.23Å
659	V	97.7	Very high	96.2	Very high	93 Å²	93	53 Å²	53	56%	0.564	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	140.5	-175.4	179.7	0	0	0	0	111.1	T661 V715 D717	V659-T661 VanDerWaalsContact C-N 3.26Å; V659-V715 WeakPolarHBondContact CG1-O 3.38Å; V659-D717 HydrophobicContact CG2-CB 4.07Å
660	G	97.5	Very high	95.8	Very high	49 Å²	49	58.9 Å²	58.9	51%	0.505	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	2.3	-171.1	0	0	0	0	0	114	T714	G660-T714 WeakPolarHBondContact CA-O 3.39Å; G660-T714 PolarHBondContact N-O 3.29Å
661	T	97.3	Very high	95.6	Very high	47 Å²	47	56.9 Å²	56.9	29%	0.288	32%	0.315	S	S	.	.	S	Bend	trans	-140	174.3	-176.2	86.7	0	0	0	0	114.6	D658 V659 K663 K719	D658-T661 WeakPolarHBondContact O-CA 3.13Å; D658-T661 WeakPolarHBondContact O-CB 3.23Å; D658-T661 PolarHBondContact O-N 3.2Å; D658-T661 PolarHBondContact O-OG1 2.9Å; V659-T661 VanDerWaalsContact C-N 3.26Å; T661-K663 PolarHBondContact OG1-N 2.87Å; T661-K719 PolarHBondContact O-NZ 3.41Å
662	N	97.4	Very high	95.5	Very high	79 Å²	79	57.7 Å²	57.7	42%	0.422	32%	0.319	S	S	.	.	S	Bend	trans	-106.9	22.1	168.3	-68.6	-16.7	0	0	0	112.8	M711 K719	N662-M711 HydrophobicContact CB-CE 3.89Å; N662-M711 PolarHBondContact ND2-O 3.16Å; N662-M711 PolarHBondContact OD1-O 3.07Å; N662-K719 WeakPolarHBondContact OD1-CE 3.39Å; N662-K719 PolarHBondContact OD1-NZ 2.99Å
663	K	97.1	Very high	95.5	Very high	144 Å²	144	56.3 Å²	56.3	63%	0.626	31%	0.307	S	S	*	.	S	Bend	trans	-92.6	134.8	174.2	-63.7	-179.1	179.5	177.9	0	110.3	F657 D658 T661	F657-K663 CarbonylContact C-O 3.57Å; F657-K663 VanDerWaalsContact CA-O 3.29Å; F657-K663 WeakPolarHBondContact CA-O 3.41Å; F657-K663 WeakPolarHBondContact CD1-O 3.3Å; D658-K663 PolarHBondContact N-O 2.99Å; T661-K663 PolarHBondContact OG1-N 2.87Å
664	Y	97.5	Very high	95.5	Very high	28 Å²	28	56.3 Å²	56.3	11%	0.11	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-76.9	131.3	176.8	-72.9	-72.2	0	0	0	112.6	K614 I617 A652 P653 K656 F657 T666 P673	K614-Y664 PolarHBondContact NZ-O 3.35Å; I617-Y664 HydrophobicContact CD1-CE2 4.16Å; I617-Y664 HydrophobicContact CG2-CE2 4.03Å; A652-Y664 WeakPolarHBondContact CB-OH 3.33Å; P653-Y664 HydrophobicContact CB-CE1 4.48Å; P653-Y664 VanDerWaalsContact O-CE1 3.29Å; P653-Y664 WeakPolarHBondContact O-CE1 3.31Å; P653-Y664 PolarHBondContact O-OH 3.08Å; K656-Y664 CarbonylContact O-C 3.52Å; K656-Y664 VanDerWaalsContact O-CA 3.32Å; K656-Y664 WeakPolarHBondContact O-CA 3.31Å; K656-Y664 WeakPolarHBondContact O-CD1 3.38Å; F657-Y664 HydrophobicContact CD1-CD1 4.18Å; F657-Y664 HydrophobicContact CD1-CE1 4.3Å; F657-Y664 HydrophobicContact CD2-CE1 4.49Å; F657-Y664 AromaticContact CE1-CD1 3.85Å; F657-Y664 HydrophobicContact CE1-CD1 3.85Å; F657-Y664 HydrophobicContact CE1-CD2 4.33Å; F657-Y664 AromaticContact CE1-CE1 3.59Å; F657-Y664 HydrophobicContact CE1-CE1 3.59Å; F657-Y664 HydrophobicContact CE1-CE2 4.09Å; F657-Y664 HydrophobicContact CE1-CG 4.21Å; F657-Y664 AromaticContact CE1-CZ 3.71Å; F657-Y664 HydrophobicContact CE2-CD1 4.44Å; F657-Y664 AromaticContact CE2-CE1 3.81Å; F657-Y664 HydrophobicContact CE2-CE1 3.81Å; F657-Y664 HydrophobicContact CZ-CD1 4Å; F657-Y664 AromaticContact CZ-CE1 3.3Å; F657-Y664 HydrophobicContact CZ-CE1 3.3Å; F657-Y664 HydrophobicContact CZ-CE2 4.27Å; F657-Y664 AromaticContact CZ-CZ 3.47Å; F657-Y664 VanDerWaalsContact CZ-CZ 3.47Å; Y664-T666 PolarHBondContact O-N 2.82Å; Y664-P673 HydrophobicContact CD1-CB 3.97Å; Y664-P673 HydrophobicContact CD1-CG 3.72Å; Y664-P673 HydrophobicContact CD2-CG 4.4Å; Y664-P673 HydrophobicContact CE1-CB 3.87Å; Y664-P673 HydrophobicContact CE1-CG 4.1Å; Y664-P673 HydrophobicContact CG-CG 3.89Å
665	D	95.6	Very high	95.5	Very high	5 Å²	5	56.3 Å²	56.3	3%	0.027	31%	0.308	C	S	.	.			trans	-10.3	99.6	-174.1	-171.8	6.9	0	0	0	115	K656 D658 S667 R671	K656-D665 HydrophobicContact CB-CB 4.13Å; K656-D665 HydrophobicContact CD-CB 4.17Å; K656-D665 HydrophobicContact CG-CB 4.05Å; K656-D665 PolarHBondContact O-N 3.02Å; D658-D665 WeakPolarHBondContact OD1-CA 3.44Å; D665-S667 WeakPolarHBondContact OD1-CB 3.43Å; D665-S667 PolarHBondContact OD1-N 3.28Å; D665-S667 PolarHBondContact OD1-OG 3.26Å; D665-R671 HydrophobicContact CB-CB 4.39Å; D665-R671 VanDerWaalsContact OD2-CB 3.24Å; D665-R671 WeakPolarHBondContact OD2-CB 3.29Å; D665-R671 VanDerWaalsContact OD2-CG 3.3Å; D665-R671 WeakPolarHBondContact OD2-CG 3.39Å; D665-R671 PolarHBondContact OD2-N 2.77Å
666	T	92.8	Very high	95.5	Very high	97 Å²	97	55.8 Å²	55.8	60%	0.595	31%	0.306	S	S	*	.			trans	-90.4	-3.9	174.5	60	0	0	0	0	113.2	D658 Y664	D658-T666 PolarHBondContact OD1-N 2.95Å; D658-T666 PolarHBondContact OD1-OG1 3.3Å; D658-T666 VanDerWaalsContact OD2-CB 3.32Å; D658-T666 WeakPolarHBondContact OD2-CB 3.38Å; D658-T666 VanDerWaalsContact OD2-CG2 3.22Å; D658-T666 WeakPolarHBondContact OD2-CG2 3.3Å; D658-T666 PolarHBondContact OD2-N 3.09Å; D658-T666 PolarHBondContact OD2-OG1 3.23Å; Y664-T666 PolarHBondContact O-N 2.82Å
667	S	93.7	Very high	95.6	Very high	46 Å²	46	53.9 Å²	53.9	32%	0.322	30%	0.297	S	S	.	.	S	Bend	trans	-63.8	165.1	178.7	82.3	0	0	0	0	112.2	D665 K669 K670	D665-S667 WeakPolarHBondContact OD1-CB 3.43Å; D665-S667 PolarHBondContact OD1-N 3.28Å; D665-S667 PolarHBondContact OD1-OG 3.26Å; S667-K669 PolarHBondContact O-N 2.95Å; S667-K669 PolarHBondContact OG-N 3.49Å; S667-K670 WeakPolarHBondContact O-CG 3.22Å; S667-K670 PolarHBondContact O-N 3.4Å
668	A	89	Confident	95.6	Very high	109 Å²	109	53.9 Å²	53.9	90%	0.901	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-16.7	175.3	0	0	0	0	0	114.3
669	K	88.2	Confident	95.7	Very high	163 Å²	163	52.4 Å²	52.4	71%	0.709	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-17	177.1	-66.4	174.3	-178.3	169.8	0	113.7	S667 R671	S667-K669 PolarHBondContact O-N 2.95Å; S667-K669 PolarHBondContact OG-N 3.49Å; K669-R671 VanDerWaalsContact C-N 3.26Å; K669-R671 HydrophobicContact CB-CG 4.43Å; K669-R671 PolarHBondContact O-N 3.33Å
670	K	88.1	Confident	95.7	Very high	129 Å²	129	48 Å²	48	56%	0.561	26%	0.262	S	S	*	.			trans	35.2	51.2	175.1	-59.1	-171.9	179.2	179.2	0	113.9	L610 S667 K672	L610-K670 HydrophobicContact CD2-CB 3.9Å; L610-K670 HydrophobicContact CD2-CD 4.49Å; S667-K670 WeakPolarHBondContact O-CG 3.22Å; S667-K670 PolarHBondContact O-N 3.4Å; K670-K672 PolarHBondContact O-N 2.85Å
671	R	91.9	Very high	95.8	Very high	74 Å²	74	46.3 Å²	46.3	28%	0.279	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-60.8	124.3	-174.6	-68.1	-63.6	-172.2	92.2	-13.4	109.8	H561 F655 K656 D665 K669	H561-R671 PolarHBondContact CE1-NH2 3.5Å; H561-R671 PolarHBondContact NE2-NH2 2.81Å; F655-R671 HydrophobicContact CE1-CB 4.35Å; K656-R671 HydrophobicContact CB-CB 4.16Å; K656-R671 HydrophobicContact CD-CB 4.15Å; K656-R671 HydrophobicContact CD-CG 4.11Å; D665-R671 HydrophobicContact CB-CB 4.39Å; D665-R671 VanDerWaalsContact OD2-CB 3.24Å; D665-R671 WeakPolarHBondContact OD2-CB 3.29Å; D665-R671 VanDerWaalsContact OD2-CG 3.3Å; D665-R671 WeakPolarHBondContact OD2-CG 3.39Å; D665-R671 PolarHBondContact OD2-N 2.77Å; K669-R671 VanDerWaalsContact C-N 3.26Å; K669-R671 HydrophobicContact CB-CG 4.43Å; K669-R671 PolarHBondContact O-N 3.33Å
672	K	95.1	Very high	95.8	Very high	36 Å²	36	46.1 Å²	46.1	16%	0.157	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-59.9	133.5	178	-164.3	173.1	76.2	-179.3	0	110.6	I605 Y608 L610 V613 K670	I605-K672 WeakPolarHBondContact O-CE 3.07Å; I605-K672 PolarHBondContact O-NZ 3Å; Y608-K672 PolarHBondContact O-NZ 2.89Å; L610-K672 HydrophobicContact CD1-CB 4.2Å; L610-K672 HydrophobicContact CD1-CG 4.16Å; V613-K672 HydrophobicContact CB-CD 4.27Å; V613-K672 HydrophobicContact CB-CG 4.07Å; V613-K672 HydrophobicContact CG1-CG 4.16Å; V613-K672 HydrophobicContact CG2-CD 3.75Å; V613-K672 HydrophobicContact CG2-CG 4.03Å; K670-K672 PolarHBondContact O-N 2.85Å
673	P	97.9	Very high	95.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-55.5	147.7	176.9	-26.6	34.5	0	0	0	113	I605 V613 I617 P653 F655 Y664	I605-P673 WeakPolarHBondContact CD1-O 3.5Å; V613-P673 HydrophobicContact CG1-CB 3.92Å; V613-P673 HydrophobicContact CG1-CG 4.01Å; I617-P673 HydrophobicContact CD1-CB 3.73Å; I617-P673 HydrophobicContact CD1-CG 3.9Å; P653-P673 HydrophobicContact CB-CB 3.78Å; P653-P673 HydrophobicContact CG-CB 4.18Å; F655-P673 CarbonylContact O-C 3.58Å; F655-P673 WeakPolarHBondContact O-CA 3.13Å; Y664-P673 HydrophobicContact CD1-CB 3.97Å; Y664-P673 HydrophobicContact CD1-CG 3.72Å; Y664-P673 HydrophobicContact CD2-CG 4.4Å; Y664-P673 HydrophobicContact CE1-CB 3.87Å; Y664-P673 HydrophobicContact CE1-CG 4.1Å; Y664-P673 HydrophobicContact CG-CG 3.89Å
674	A	98.3	Very high	95.2	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.008	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-155.6	150.3	178.9	0	0	0	0	0	112.2	R604 T654 F655 T676	R604-A674 HydrophobicContact CB-CB 4.46Å; T654-A674 PolarHBondContact N-O 2.88Å; T654-A674 VanDerWaalsContact N-O 3.14Å; F655-A674 PolarHBondContact N-O 3.4Å; F655-A674 PolarHBondContact O-N 3.29Å; A674-T676 VanDerWaalsContact C-N 3.33Å; A674-T676 HydrophobicContact CB-CG2 4.1Å; A674-T676 PolarHBondContact O-N 3.48Å
675	W	98.7	Very high	94.2	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.			trans	-83.6	79.7	166.1	-66.4	-82.5	0	0	0	109.1	I605 L622 L625 W626 L649 F651 P653 R678	I605-W675 HydrophobicContact CD1-CE3 3.96Å; I605-W675 HydrophobicContact CD1-CZ3 3.74Å; I605-W675 HydrophobicContact CG1-CE3 4.19Å; I605-W675 HydrophobicContact CG1-CZ3 4.23Å; L622-W675 HydrophobicContact CB-CH2 4.27Å; L622-W675 HydrophobicContact CB-CZ2 4.21Å; L622-W675 HydrophobicContact CD1-CZ2 4.45Å; L622-W675 HydrophobicContact CD2-CH2 4.43Å; L622-W675 HydrophobicContact CD2-CZ2 4.16Å; L625-W675 HydrophobicContact CB-CH2 3.87Å; L625-W675 HydrophobicContact CB-CZ3 3.7Å; L625-W675 HydrophobicContact CD1-CH2 4.06Å; L625-W675 HydrophobicContact CD1-CZ3 4.34Å; W626-W675 AromaticContact CD1-CH2 3.89Å; L649-W675 HydrophobicContact CB-CZ2 4.38Å; L649-W675 HydrophobicContact CD1-CB 4.4Å; L649-W675 HydrophobicContact CD1-CD2 3.92Å; L649-W675 HydrophobicContact CD1-CE3 4.15Å; L649-W675 HydrophobicContact CD1-CG 4.05Å; L649-W675 HydrophobicContact CD2-CG 4.34Å; F651-W675 AromaticContact CE2-CD1 3.74Å; F651-W675 PolarHBondContact O-NE1 3.46Å; P653-W675 HydrophobicContact CB-CD2 4.39Å; P653-W675 HydrophobicContact CG-CD2 4.02Å; P653-W675 HydrophobicContact CG-CE3 4.28Å; P653-W675 HydrophobicContact CG-CH2 4.12Å; P653-W675 HydrophobicContact CG-CZ2 3.84Å; P653-W675 HydrophobicContact CG-CZ3 4.32Å; W675-R678 WeakPolarHBondContact O-CD 3.23Å; W675-R678 PolarHBondContact O-NH1 3.37Å
676	T	98.8	Very high	92.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.269	C	S	.	.			trans	-77.8	-34.9	178.1	39.2	0	0	0	0	112.3	D600 L601 N602 T654 F655 A674 H718	D600-T676 WeakPolarHBondContact OD1-CB 3.21Å; L601-T676 PolarHBondContact N-O 3.29Å; N602-T676 PolarHBondContact N-O 3.31Å; T654-T676 PolarHBondContact OG1-N 3.34Å; T654-T676 PolarHBondContact OG1-OG1 2.68Å; F655-T676 HydrophobicContact CB-CG2 4.03Å; F655-T676 WeakPolarHBondContact CB-OG1 3.32Å; F655-T676 HydrophobicContact CD1-CG2 4.08Å; F655-T676 HydrophobicContact CG-CG2 4.17Å; A674-T676 VanDerWaalsContact C-N 3.33Å; A674-T676 HydrophobicContact CB-CG2 4.1Å; A674-T676 PolarHBondContact O-N 3.48Å; T676-H718 PolarHBondContact OG1-CE1 3.45Å; T676-H718 PolarHBondContact OG1-ND1 3.32Å
677	D	98.9	Very high	91.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	117.3	-172.7	-48.4	-102.7	0	0	0	108.4	T426 G599 T654 H718 V721	T426-D677 HydrophobicContact CG2-CB 4.22Å; G599-D677 WeakPolarHBondContact O-CA 3.4Å; T654-D677 WeakPolarHBondContact CB-OD2 3.17Å; T654-D677 HydrophobicContact CG2-CB 4.35Å; T654-D677 PolarHBondContact OG1-N 3.14Å; T654-D677 PolarHBondContact OG1-OD2 2.92Å; D677-H718 VanDerWaalsContact CG-ND1 3.33Å; D677-H718 IonicContact OD1-CE1 3.5Å; D677-H718 IonicContact OD1-CG 2.77Å; D677-H718 IonicContact OD1-ND1 2.8Å; D677-H718 PolarHBondContact OD1-ND1 3.27Å; D677-H718 IonicContact OD2-CE1 2.77Å; D677-H718 IonicContact OD2-CG 3.77Å; D677-H718 IonicContact OD2-ND1 3.73Å; D677-H718 PolarHBondContact OD2-ND1 2.98Å; D677-V721 HydrophobicContact CB-CG2 3.86Å
678	R	98.9	Very high	88.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	153.4	-164.8	-52.7	-66.3	-86.4	-90.6	-3	112.2	F598 G599 L601 D629 L631 E646 W675 L680	F598-R678 WeakPolarHBondContact CA-O 3.26Å; F598-R678 VanDerWaalsContact CB-O 3.26Å; F598-R678 WeakPolarHBondContact CB-O 3.44Å; G599-R678 PolarHBondContact N-O 2.94Å; G599-R678 VanDerWaalsContact N-O 3.12Å; G599-R678 PolarHBondContact O-N 2.81Å; L601-R678 HydrophobicContact CD1-CB 3.85Å; L601-R678 HydrophobicContact CD1-CG 4.39Å; L601-R678 HydrophobicContact CG-CB 4.17Å; D629-R678 VanDerWaalsContact CG-NH1 3.27Å; D629-R678 IonicContact OD1-CZ 3.77Å; D629-R678 IonicContact OD1-NH1 3.57Å; D629-R678 PolarHBondContact OD1-NH1 2.87Å; D629-R678 VanDerWaalsContact OD1-NH1 3.07Å; D629-R678 IonicContact OD1-NH2 3.33Å; D629-R678 PolarHBondContact OD1-NH2 3.17Å; D629-R678 IonicContact OD2-CZ 2.81Å; D629-R678 IonicContact OD2-NH1 3.54Å; D629-R678 PolarHBondContact OD2-NH1 3.47Å; L631-R678 HydrophobicContact CD2-CB 4.32Å; L631-R678 HydrophobicContact CD2-CG 4.03Å; E646-R678 IonicContact OE1-CZ 3.24Å; E646-R678 IonicContact OE1-NE 2.97Å; E646-R678 PolarHBondContact OE1-NE 2.95Å; E646-R678 IonicContact OE1-NH2 3.88Å; E646-R678 PolarHBondContact OE1-NH2 3.2Å; E646-R678 IonicContact OE2-CZ 3.38Å; E646-R678 IonicContact OE2-NE 3.85Å; E646-R678 IonicContact OE2-NH2 2.7Å; E646-R678 PolarHBondContact OE2-NH2 2.86Å; W675-R678 WeakPolarHBondContact O-CD 3.23Å; W675-R678 PolarHBondContact O-NH1 3.37Å; R678-L680 HydrophobicContact CB-CD1 3.91Å
679	I	98.9	Very high	86.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	113.1	174.1	-53.9	173.9	0	0	0	109.5	V424 T426 F598 Y707 V721 A723 F725	V424-I679 HydrophobicContact CB-CD1 4.3Å; V424-I679 HydrophobicContact CB-CG2 4.08Å; V424-I679 HydrophobicContact CG1-CD1 4.18Å; V424-I679 HydrophobicContact CG1-CG1 4.43Å; V424-I679 HydrophobicContact CG1-CG2 3.88Å; V424-I679 VanDerWaalsContact O-CD1 3.25Å; V424-I679 WeakPolarHBondContact O-CD1 3.38Å; T426-I679 HydrophobicContact CG2-CD1 4.38Å; T426-I679 HydrophobicContact CG2-CG1 3.95Å; F598-I679 HydrophobicContact CB-CB 4.28Å; F598-I679 HydrophobicContact CB-CG1 4.01Å; F598-I679 HydrophobicContact CB-CG2 4.27Å; I679-Y707 HydrophobicContact CB-CE2 3.85Å; I679-Y707 HydrophobicContact CD1-CE2 4.34Å; I679-Y707 HydrophobicContact CG1-CE2 4.15Å; I679-Y707 PolarHBondContact N-OH 2.82Å; I679-V721 HydrophobicContact CD1-CG1 4.11Å; I679-V721 HydrophobicContact CG1-CG1 4.38Å; I679-A723 HydrophobicContact CB-CB 4.4Å; I679-A723 HydrophobicContact CD1-CB 3.75Å; I679-A723 HydrophobicContact CG2-CB 4.18Å; I679-F725 HydrophobicContact CG2-CE2 4.1Å; I679-F725 HydrophobicContact CG2-CZ 4.03Å
680	L	98.8	Very high	84.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	154.2	177.6	-60	92.2	0	0	0	109.9	F596 W597 L601 L631 K635 F644 Q645 E646 R678	F596-L680 WeakPolarHBondContact CA-O 3.33Å; W597-L680 HydrophobicContact CE3-CB 4.44Å; W597-L680 HydrophobicContact CE3-CD1 4.21Å; W597-L680 HydrophobicContact CE3-CD2 4.36Å; W597-L680 HydrophobicContact CZ3-CD2 4.37Å; W597-L680 PolarHBondContact N-O 3.38Å; W597-L680 PolarHBondContact O-N 2.64Å; L601-L680 HydrophobicContact CD1-CD1 3.63Å; L631-L680 HydrophobicContact CD2-CD1 3.85Å; L631-L680 HydrophobicContact CD2-CD2 4.21Å; K635-L680 HydrophobicContact CD-CD2 4.07Å; F644-L680 HydrophobicContact CD1-CB 4.16Å; Q645-L680 CarbonylContact O-C 3.58Å; Q645-L680 VanDerWaalsContact O-CA 3.24Å; Q645-L680 WeakPolarHBondContact O-CA 3.41Å; Q645-L680 WeakPolarHBondContact O-CB 3.17Å; E646-L680 HydrophobicContact CB-CD2 4.13Å; E646-L680 HydrophobicContact CB-CG 4.03Å; E646-L680 HydrophobicContact CG-CG 4.14Å; R678-L680 HydrophobicContact CB-CD1 3.91Å
681	W	98.7	Very high	82.7	Confident	15 Å²	15	41.2 Å²	41.2	6%	0.057	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	150.6	174.2	74.8	105.3	0	0	0	112.2	L594 V595 F596 F644 Q645 Q704 F725	L594-W681 HydrophobicContact CD1-CB 4.12Å; V595-W681 CarbonylContact O-C 3.59Å; V595-W681 WeakPolarHBondContact O-CA 3.25Å; F596-W681 HydrophobicContact CD1-CB 3.73Å; F596-W681 HydrophobicContact CE1-CB 3.89Å; F644-W681 CarbonylContact C-O 3.58Å; F644-W681 WeakPolarHBondContact CA-O 3.47Å; Q645-W681 HydrophobicContact CB-CD2 3.89Å; Q645-W681 HydrophobicContact CB-CE3 4.16Å; Q645-W681 HydrophobicContact CB-CH2 3.92Å; Q645-W681 HydrophobicContact CB-CZ2 3.61Å; Q645-W681 HydrophobicContact CB-CZ3 4.19Å; Q645-W681 HydrophobicContact CG-CZ2 4.49Å; Q645-W681 PolarHBondContact N-O 3.41Å; Q645-W681 PolarHBondContact O-N 2.97Å; W681-Q704 HydrophobicContact CH2-CB 3.82Å; W681-Q704 HydrophobicContact CH2-CG 4.47Å; W681-Q704 HydrophobicContact CZ2-CB 4.22Å; W681-Q704 HydrophobicContact CZ3-CB 4.26Å; W681-Q704 HydrophobicContact CZ3-CG 4.48Å; W681-F725 HydrophobicContact CD2-CD1 4.49Å; W681-F725 AromaticContact CD2-CE1 3.7Å; W681-F725 HydrophobicContact CD2-CE1 3.7Å; W681-F725 HydrophobicContact CD2-CZ 4.45Å; W681-F725 AromaticContact CE3-CE1 3.52Å; W681-F725 HydrophobicContact CE3-CE1 3.52Å; W681-F725 AromaticContact CE3-CZ 3.98Å; W681-F725 HydrophobicContact CE3-CZ 3.98Å; W681-F725 HydrophobicContact CG-CE1 4.18Å; W681-F725 HydrophobicContact CH2-CE1 4.41Å; W681-F725 AromaticContact CZ3-CE1 3.89Å; W681-F725 HydrophobicContact CZ3-CE1 3.89Å; W681-F725 HydrophobicContact CZ3-CZ 4.44Å
682	K	97.1	Very high	80.3	Confident	42 Å²	42	44.5 Å²	44.5	18%	0.183	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	116.2	175.8	174.5	161.9	173.9	167.5	0	109.1	L594 V595 K642 G643 F644	L594-K682 WeakPolarHBondContact CA-O 3.33Å; V595-K682 HydrophobicContact CB-CB 4.49Å; V595-K682 PolarHBondContact N-O 3.12Å; V595-K682 PolarHBondContact O-N 2.92Å; K642-K682 PolarHBondContact O-NZ 3.04Å; G643-K682 WeakPolarHBondContact O-CG 3.4Å; F644-K682 HydrophobicContact CD1-CB 3.67Å; F644-K682 HydrophobicContact CD2-CB 4.2Å; F644-K682 HydrophobicContact CD2-CD 3.63Å; F644-K682 HydrophobicContact CE1-CB 3.72Å; F644-K682 HydrophobicContact CE2-CB 4.28Å; F644-K682 HydrophobicContact CE2-CD 3.58Å; F644-K682 HydrophobicContact CG-CB 3.92Å; F644-K682 HydrophobicContact CG-CD 4.17Å; F644-K682 HydrophobicContact CZ-CB 4.05Å; F644-K682 HydrophobicContact CZ-CD 4.05Å
683	V	94.4	Very high	78.3	Confident	38 Å²	38	46.1 Å²	46.1	23%	0.23	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	136.3	166.7	-172.9	0	0	0	0	107.4	D593 L594 A685 V702	D593-V683 WeakPolarHBondContact O-CA 3.39Å; L594-V683 HydrophobicContact CD1-CG2 4.18Å; V683-A685 PolarHBondContact O-N 2.85Å; V683-V702 HydrophobicContact CG2-CB 3.97Å; V683-V702 HydrophobicContact CG2-CG2 3.63Å
684	K	88.5	Confident	75.7	Confident	71 Å²	71	49.5 Å²	49.5	31%	0.309	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-62.1	129.5	174.4	-170.6	176.1	179.7	174.1	0	109.7	D591 D593	D591-K684 WeakPolarHBondContact O-CE 3.29Å; D591-K684 PolarHBondContact O-NZ 2.81Å; D593-K684 HydrophobicContact CB-CD 4.45Å; D593-K684 PolarHBondContact O-N 2.85Å; D593-K684 WeakPolarHBondContact OD1-CD 3.32Å; D593-K684 WeakPolarHBondContact OD1-CE 3.45Å; D593-K684 IonicContact OD1-NZ 3.6Å; D593-K684 PolarHBondContact OD1-NZ 3.38Å
685	A	76.2	Confident	73.3	Confident	78 Å²	78	57.8 Å²	57.8	65%	0.645	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-63.7	139.8	172.4	0	0	0	0	0	108.9	V683 S687	V683-A685 PolarHBondContact O-N 2.85Å; A685-S687 PolarHBondContact O-N 3.1Å
686	P	65.1	Low	70.9	Confident	107 Å²	107	66.7 Å²	66.7	70%	0.695	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-54.9	125	174.2	-24.6	33.9	0	0	0	110.2	G688	P686-G688 PolarHBondContact O-N 2.79Å
687	S	57.8	Low	68.5	Low	105 Å²	105	70.9 Å²	70.9	73%	0.734	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-55	122.5	172	-62.6	0	0	0	0	108.7	A685 G689	A685-S687 PolarHBondContact O-N 3.1Å; S687-G689 PolarHBondContact O-N 3.03Å
688	G	43.4	Very low	66.4	Low	96 Å²	96	76.5 Å²	76.5	99%	0.99	49%	0.486	S	S	*	.	S	Bend	trans	-73.8	52.7	-167.1	0	0	0	0	0	115.5	P686	P686-G688 PolarHBondContact O-N 2.79Å
689	G	48.9	Very low	65	Low	51 Å²	51	83 Å²	83	53%	0.526	51%	0.511	S	S	.	.	S	Bend	trans	-131.1	159.4	171.7	0	0	0	0	0	111	S687	S687-G689 PolarHBondContact O-N 3.03Å
690	P	44.4	Very low	64.3	Low	128 Å²	128	83.5 Å²	83.5	83%	0.831	51%	0.513	S	S	*	.			trans	-62.4	139	175.7	27.3	-34.2	0	0	0	110.6
691	S	45.7	Very low	63.9	Low	23 Å²	23	87 Å²	87	16%	0.161	53%	0.529	C	S	.	.			trans	-58.7	137.5	171.1	176.7	0	0	0	0	110.1	S693 G694 R695 H698	S691-S693 PolarHBondContact O-N 2.68Å; S691-S693 PolarHBondContact OG-N 3.22Å; S691-S693 PolarHBondContact OG-OG 2.93Å; S691-G694 PolarHBondContact O-N 2.94Å; S691-R695 WeakPolarHBondContact CB-O 3.33Å; S691-H698 PolarHBondContact OG-NE2 3.02Å
692	P	42.8	Very low	63.7	Low	144 Å²	144	87.2 Å²	87.2	94%	0.935	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-20.6	171.4	-26.3	35.2	0	0	0	114.1
693	S	51.9	Low	63.7	Low	69 Å²	69	89.2 Å²	89.2	48%	0.483	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	0.2	176.4	64.9	0	0	0	0	114.8	S691 R695	S691-S693 PolarHBondContact O-N 2.68Å; S691-S693 PolarHBondContact OG-N 3.22Å; S691-S693 PolarHBondContact OG-OG 2.93Å; S693-R695 PolarHBondContact O-N 3.34Å
694	G	44.3	Very low	63.8	Low	71 Å²	71	89.1 Å²	89.1	73%	0.732	55%	0.545	S	S	*	.			trans	65.8	-1.2	-175.8	0	0	0	0	0	115.7	S691	S691-G694 PolarHBondContact O-N 2.94Å
695	R	47.6	Very low	64	Low	176 Å²	176	91 Å²	91	66%	0.664	56%	0.555	S	S	*	*			trans	-83.8	137.9	179.4	-63.1	-177.6	-178.4	177.6	0.1	111.5	S691 S693	S691-R695 WeakPolarHBondContact CB-O 3.33Å; S693-R695 PolarHBondContact O-N 3.34Å
696	E	47	Very low	64.9	Low	186 Å²	186	88.6 Å²	88.6	87%	0.869	53%	0.533	S	S	*	.	S	Bend	trans	-72.1	152.8	169.4	-62.4	-171.5	135.5	0	0	111.5
697	S	49	Very low	66.5	Low	88 Å²	88	84.6 Å²	84.6	62%	0.615	50%	0.504	S	S	*	.			trans	62.2	74.8	170.7	-60.1	0	0	0	0	117.8	R699 A730	S697-R699 PolarHBondContact O-N 2.96Å; S697-A730 WeakPolarHBondContact O-CB 3.25Å
698	H	54.5	Low	68.3	Low	118 Å²	118	84.2 Å²	84.2	55%	0.546	49%	0.487	S	S	.	.			trans	-68.1	37.6	148.1	-70.1	-79	0	0	0	112.1	S691 L700	S691-H698 PolarHBondContact OG-NE2 3.02Å; H698-L700 PolarHBondContact O-N 2.95Å
699	R	69	Low	70.9	Confident	138 Å²	138	80.5 Å²	80.5	52%	0.521	45%	0.446	S	S	.	.			trans	-96.6	98.5	-163.4	-164.3	174.3	95.1	164.3	6.6	111.7	S697 Q701	S697-R699 PolarHBondContact O-N 2.96Å; R699-Q701 WeakPolarHBondContact O-CG 3.34Å; R699-Q701 PolarHBondContact O-N 2.95Å
700	L	86.1	Confident	73.2	Confident	9 Å²	9	78.2 Å²	78.2	5%	0.047	42%	0.422	C	S	.	.			trans	-52.6	121	156.6	174.3	57.2	0	0	0	108.7	L551 L594 H698 V702 L727 F729	L551-L700 HydrophobicContact CD2-CD2 4.41Å; L594-L700 HydrophobicContact CB-CD2 3.86Å; H698-L700 PolarHBondContact O-N 2.95Å; L700-V702 HydrophobicContact CG-CG2 4.11Å; L700-L727 HydrophobicContact CD1-CB 4.13Å; L700-L727 HydrophobicContact CD1-CD2 4.23Å; L700-L727 HydrophobicContact CD1-CG 4.06Å; L700-F729 HydrophobicContact CD1-CD1 3.65Å; L700-F729 HydrophobicContact CD1-CE1 3.95Å; L700-F729 HydrophobicContact CD1-CG 4.46Å
701	Q	90.3	Very high	75.7	Confident	74 Å²	74	75.1 Å²	75.1	35%	0.346	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	136.5	175.7	-42.8	-161.6	84	0	0	109.1	R699 L727 Q728	R699-Q701 WeakPolarHBondContact O-CG 3.34Å; R699-Q701 PolarHBondContact O-N 2.95Å; Q701-L727 WeakPolarHBondContact O-CA 3.23Å; Q701-Q728 HydrophobicContact CB-CB 4.23Å; Q701-Q728 PolarHBondContact N-O 3Å; Q701-Q728 PolarHBondContact O-N 2.68Å
702	V	94.8	Very high	78.2	Confident	20 Å²	20	78.8 Å²	78.8	12%	0.121	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	114.5	-176.9	-176	0	0	0	0	108.6	L594 V683 L700 F725 L727	L594-V702 HydrophobicContact CD1-CG2 4.06Å; L594-V702 HydrophobicContact CD2-CG1 4.44Å; L594-V702 HydrophobicContact CD2-CG2 3.82Å; L594-V702 HydrophobicContact CG-CG2 4.49Å; V683-V702 HydrophobicContact CG2-CB 3.97Å; V683-V702 HydrophobicContact CG2-CG2 3.63Å; L700-V702 HydrophobicContact CG-CG2 4.11Å; V702-F725 HydrophobicContact CG1-CB 4.38Å; V702-F725 HydrophobicContact CG1-CD1 4Å; V702-L727 HydrophobicContact CG1-CD1 4.21Å; V702-L727 HydrophobicContact CG2-CD1 4.42Å; V702-L727 HydrophobicContact CG2-CG 4.25Å
703	T	95.5	Very high	80.8	Confident	83 Å²	83	72.7 Å²	72.7	51%	0.509	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.3	176.8	-59	0	0	0	0	108.8	F725 I726	T703-F725 CarbonylContact O-C 3.59Å; T703-F725 WeakPolarHBondContact O-CA 3.4Å; T703-I726 PolarHBondContact N-O 3.46Å; T703-I726 PolarHBondContact O-N 2.82Å
704	Q	96.5	Very high	82.9	Confident	37 Å²	37	71.5 Å²	71.5	17%	0.173	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	121.2	169.7	-168.9	176.2	46.3	0	0	109	W681 S706 Q724 F725	W681-Q704 HydrophobicContact CH2-CB 3.82Å; W681-Q704 HydrophobicContact CH2-CG 4.47Å; W681-Q704 HydrophobicContact CZ2-CB 4.22Å; W681-Q704 HydrophobicContact CZ3-CB 4.26Å; W681-Q704 HydrophobicContact CZ3-CG 4.48Å; Q704-S706 WeakPolarHBondContact CG-O 3.3Å; Q704-Q724 CarbonylContact C-O 3.57Å; Q704-Q724 WeakPolarHBondContact CA-O 3.45Å; Q704-F725 HydrophobicContact CB-CD1 3.79Å; Q704-F725 HydrophobicContact CB-CE1 3.67Å; Q704-F725 HydrophobicContact CG-CD1 3.96Å; Q704-F725 HydrophobicContact CG-CE1 3.57Å; Q704-F725 HydrophobicContact CG-CZ 4.07Å
705	H	93.1	Very high	85.5	Confident	110 Å²	110	70.4 Å²	70.4	51%	0.509	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-38.3	179.2	-176.3	-122.7	0	0	0	111.8	Q724	H705-Q724 HydrophobicContact CB-CB 4.23Å; H705-Q724 PolarHBondContact N-O 2.85Å; H705-Q724 PolarHBondContact ND1-OE1 3.43Å
706	S	95.2	Very high	87.9	Confident	27 Å²	27	62.1 Å²	62.1	19%	0.189	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	153.6	178.8	66	0	0	0	0	111.8	Q704 A723 Q724	Q704-S706 WeakPolarHBondContact CG-O 3.3Å; S706-A723 WeakPolarHBondContact O-CA 3.13Å; S706-A723 WeakPolarHBondContact O-CB 3.08Å; S706-Q724 PolarHBondContact N-O 2.88Å; S706-Q724 PolarHBondContact O-N 2.8Å; S706-Q724 VanDerWaalsContact O-N 3.12Å; S706-Q724 WeakPolarHBondContact OG-CB 3.15Å; S706-Q724 WeakPolarHBondContact OG-CG 3.5Å; S706-Q724 PolarHBondContact OG-N 3.21Å; S706-Q724 PolarHBondContact OG-OE1 3.47Å
707	Y	97.9	Very high	90.3	Very high	23 Å²	23	54.6 Å²	54.6	9%	0.09	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	110.3	170.7	-172.8	-152.3	0	0	0	107.4	E646 L649 F651 I679 V721 A722 A723	E646-Y707 HydrophobicContact CG-CE1 3.75Å; E646-Y707 PolarHBondContact OE1-OH 2.85Å; L649-Y707 HydrophobicContact CD2-CE1 3.8Å; F651-Y707 AromaticContact CE1-CD1 3.83Å; F651-Y707 HydrophobicContact CE1-CD1 3.83Å; F651-Y707 HydrophobicContact CE1-CD2 4.05Å; F651-Y707 HydrophobicContact CE1-CE1 4Å; F651-Y707 HydrophobicContact CE1-CE2 4.21Å; F651-Y707 AromaticContact CE1-CG 3.88Å; F651-Y707 HydrophobicContact CE1-CG 3.88Å; F651-Y707 HydrophobicContact CZ-CD1 4.4Å; F651-Y707 HydrophobicContact CZ-CD2 4.32Å; F651-Y707 HydrophobicContact CZ-CE1 4.13Å; F651-Y707 HydrophobicContact CZ-CE2 4.04Å; F651-Y707 AromaticContact CZ-CZ 3.96Å; I679-Y707 HydrophobicContact CB-CE2 3.85Å; I679-Y707 HydrophobicContact CD1-CE2 4.34Å; I679-Y707 HydrophobicContact CG1-CE2 4.15Å; I679-Y707 PolarHBondContact N-OH 2.82Å; Y707-V721 HydrophobicContact CD2-CG1 3.95Å; Y707-V721 HydrophobicContact CE2-CG1 3.51Å; Y707-A722 WeakPolarHBondContact CA-O 3.39Å; Y707-A723 HydrophobicContact CD2-CB 3.97Å
708	R	97.1	Very high	92.7	Very high	97 Å²	97	50.7 Å²	50.7	37%	0.366	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	149.2	-171.3	69.5	-174	-168.9	-173.2	3.7	112.5	S440 H443 H710 V721 A722	S440-R708 PolarHBondContact O-NH2 3.31Å; H443-R708 PolarHBondContact CD2-NH2 3.22Å; H443-R708 PolarHBondContact NE2-NE 3.25Å; H443-R708 PolarHBondContact NE2-NH2 2.87Å; R708-H710 PolarHBondContact NE-CE1 3.22Å; R708-H710 PolarHBondContact NE-NE2 3.44Å; R708-H710 PolarHBondContact NH2-CE1 3.32Å; R708-V721 CarbonylContact O-C 3.53Å; R708-V721 WeakPolarHBondContact O-CA 3.4Å; R708-A722 PolarHBondContact N-O 2.99Å; R708-A722 PolarHBondContact O-N 3.39Å
709	S	97.8	Very high	94.8	Very high	18 Å²	18	45 Å²	45	13%	0.126	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	146.1	162.4	-173.9	0	0	0	0	110.4	F651 K719 P720	F651-S709 VanDerWaalsContact CD2-CB 3.44Å; S709-K719 WeakPolarHBondContact OG-CB 3.21Å; S709-P720 CarbonylContact C-O 3.58Å; S709-P720 VanDerWaalsContact CA-O 3.3Å; S709-P720 WeakPolarHBondContact CA-O 3.15Å; S709-P720 PolarHBondContact OG-O 2.92Å; S709-P720 VanDerWaalsContact OG-O 3.13Å
710	H	97.6	Very high	96.2	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.019	19%	0.194	C	C	.	.			trans	-105.3	103.9	-176.6	-77.3	-101.6	0	0	0	110.6	S440 L441 H443 R708 E712 Y713 P720	S440-H710 PolarHBondContact O-CE1 3.03Å; S440-H710 VanDerWaalsContact O-CE1 3.28Å; L441-H710 HydrophobicContact CD1-CB 4.38Å; H443-H710 AromaticContact NE2-NE2 3.97Å; R708-H710 PolarHBondContact NE-CE1 3.22Å; R708-H710 PolarHBondContact NE-NE2 3.44Å; R708-H710 PolarHBondContact NH2-CE1 3.32Å; H710-E712 VanDerWaalsContact C-N 3.33Å; H710-E712 VanDerWaalsContact CA-OE2 3.29Å; H710-E712 WeakPolarHBondContact CA-OE2 3.26Å; H710-E712 WeakPolarHBondContact CB-OE2 3.47Å; H710-E712 IonicContact CE1-OE1 3.25Å; H710-E712 IonicContact CG-OE1 3.77Å; H710-E712 IonicContact ND1-OE1 3.31Å; H710-E712 PolarHBondContact ND1-OE1 3.26Å; H710-E712 IonicContact ND1-OE2 2.66Å; H710-Y713 HydrophobicContact CB-CD2 3.79Å; H710-Y713 HydrophobicContact CB-CE2 4.18Å; H710-P720 HydrophobicContact CB-CG 4.07Å; H710-P720 PolarHBondContact N-O 2.98Å
711	M	97	Very high	96.8	Very high	63 Å²	63	38 Å²	38	31%	0.31	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-11.2	-173.9	-64.6	-61.1	-58.4	0	0	113.4	F657 N662 Y713 K719	F657-M711 HydrophobicContact CE1-CE 3.83Å; F657-M711 HydrophobicContact CZ-CE 3.7Å; F657-M711 HydrophobicContact CZ-SD 4.28Å; N662-M711 HydrophobicContact CB-CE 3.89Å; N662-M711 PolarHBondContact ND2-O 3.16Å; N662-M711 PolarHBondContact OD1-O 3.07Å; M711-Y713 VanDerWaalsContact C-N 3.34Å; M711-K719 HydrophobicContact CE-CG 4.4Å; M711-K719 HydrophobicContact SD-CB 4.45Å; M711-K719 HydrophobicContact SD-CG 3.95Å
712	E	96.4	Very high	97.2	Very high	99 Å²	99	34.5 Å²	34.5	46%	0.463	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-26.5	178.2	63.9	-85.7	-153.3	0	0	112.9	H710 T714	H710-E712 VanDerWaalsContact C-N 3.33Å; H710-E712 VanDerWaalsContact CA-OE2 3.29Å; H710-E712 WeakPolarHBondContact CA-OE2 3.26Å; H710-E712 WeakPolarHBondContact CB-OE2 3.47Å; H710-E712 IonicContact CE1-OE1 3.25Å; H710-E712 IonicContact CG-OE1 3.77Å; H710-E712 IonicContact ND1-OE1 3.31Å; H710-E712 PolarHBondContact ND1-OE1 3.26Å; H710-E712 IonicContact ND1-OE2 2.66Å; E712-T714 PolarHBondContact O-N 3.08Å
713	Y	97.6	Very high	97.3	Very high	17 Å²	17	33.6 Å²	33.6	7%	0.067	17%	0.17	C	C	.	.			trans	-87.8	103.7	-179.3	-64.4	-71.7	0	0	0	111.9	W427 P435 D437 L441 H710 M711 K719 P720	W427-Y713 AromaticContact CH2-CD1 3.98Å; W427-Y713 HydrophobicContact CH2-CD1 3.98Å; W427-Y713 AromaticContact CH2-CG 3.93Å; W427-Y713 HydrophobicContact CH2-CG 3.93Å; W427-Y713 HydrophobicContact CZ2-CG 4.46Å; W427-Y713 HydrophobicContact CZ3-CD1 4.46Å; W427-Y713 HydrophobicContact CZ3-CG 4.45Å; P435-Y713 HydrophobicContact CG-CD1 4.17Å; P435-Y713 HydrophobicContact CG-CE1 4.29Å; D437-Y713 VanDerWaalsContact O-CE1 3.3Å; D437-Y713 WeakPolarHBondContact O-CE1 3.43Å; L441-Y713 HydrophobicContact CB-CE2 3.66Å; L441-Y713 PolarHBondContact N-OH 2.65Å; H710-Y713 HydrophobicContact CB-CD2 3.79Å; H710-Y713 HydrophobicContact CB-CE2 4.18Å; M711-Y713 VanDerWaalsContact C-N 3.34Å; Y713-K719 WeakPolarHBondContact O-CD 3.21Å; Y713-K719 VanDerWaalsContact O-CE 3.24Å; Y713-K719 WeakPolarHBondContact O-CE 3.47Å; Y713-P720 HydrophobicContact CD2-CG 3.71Å; Y713-P720 HydrophobicContact CG-CG 3.98Å
714	T	97.8	Very high	97.4	Very high	44 Å²	44	30.4 Å²	30.4	27%	0.27	15%	0.149	S	C	.	.			trans	-104.7	0.4	-173.3	62.3	0	0	0	0	115.1	G660 E712 S716	G660-T714 WeakPolarHBondContact CA-O 3.39Å; G660-T714 PolarHBondContact N-O 3.29Å; E712-T714 PolarHBondContact O-N 3.08Å; T714-S716 PolarHBondContact O-N 2.96Å; T714-S716 VanDerWaalsContact O-N 3.15Å
715	V	97.5	Very high	97.4	Very high	48 Å²	48	28.7 Å²	28.7	29%	0.291	14%	0.141	S	C	.	.	S	Bend	trans	-64.2	-17.1	-176.9	-60.6	0	0	0	0	115	W427 A432 P435 W480 V659	W427-V715 HydrophobicContact CH2-CG2 3.66Å; W427-V715 HydrophobicContact CZ2-CG2 3.51Å; A432-V715 HydrophobicContact CB-CB 4.3Å; A432-V715 HydrophobicContact CB-CG2 4.48Å; A432-V715 VanDerWaalsContact CB-O 3.28Å; A432-V715 WeakPolarHBondContact CB-O 3.3Å; P435-V715 HydrophobicContact CB-CG1 4.45Å; W480-V715 HydrophobicContact CH2-CG2 4.43Å; V659-V715 WeakPolarHBondContact CG1-O 3.38Å
716	S	98.1	Very high	97.6	Very high	2 Å²	2	25 Å²	25	1%	0.014	13%	0.125	C	C	.	.	S	Bend	trans	-121.2	159.6	179.2	176.7	0	0	0	0	111.6	N428 T714 H718	N428-S716 WeakPolarHBondContact O-CB 3.24Å; N428-S716 PolarHBondContact O-OG 3.15Å; T714-S716 PolarHBondContact O-N 2.96Å; T714-S716 VanDerWaalsContact O-N 3.15Å; S716-H718 WeakPolarHBondContact CB-O 3.42Å; S716-H718 PolarHBondContact OG-N 3.29Å; S716-H718 VanDerWaalsContact OG-N 3.08Å; S716-H718 PolarHBondContact OG-O 3.48Å
717	D	98.1	Very high	97.5	Very high	27 Å²	27	23.7 Å²	23.7	14%	0.144	12%	0.116	C	C	.	.	S	Bend	trans	-77.8	-5.7	168.4	68.9	-36.4	0	0	0	113.5	K656 F657 V659	K656-D717 HydrophobicContact CG-CB 4.09Å; K656-D717 VanDerWaalsContact NZ-CG 3.35Å; K656-D717 IonicContact NZ-OD2 3.07Å; K656-D717 PolarHBondContact NZ-OD2 3.44Å; F657-D717 PolarHBondContact N-O 3.24Å; F657-D717 WeakPolarHBondContact O-CB 3.36Å; V659-D717 HydrophobicContact CG2-CB 4.07Å
718	H	98.7	Very high	97.3	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.028	13%	0.131	C	C	.	.	S	Bend	trans	-104.5	149.5	162.1	-68.9	-119.3	0	0	0	111.2	W427 N428 D600 T654 F655 T676 D677 S716	W427-H718 PolarHBondContact NE1-O 2.8Å; N428-H718 HydrophobicContact CB-CB 4.02Å; N428-H718 PolarHBondContact ND2-NE2 3.44Å; N428-H718 WeakPolarHBondContact O-CB 3.49Å; D600-H718 IonicContact OD2-CE1 3.73Å; D600-H718 PolarHBondContact OD2-CE1 2.95Å; D600-H718 VanDerWaalsContact OD2-CE1 3.25Å; D600-H718 IonicContact OD2-NE2 3.97Å; T654-H718 CarbonylContact O-C 3.56Å; T654-H718 WeakPolarHBondContact O-CA 3.32Å; F655-H718 AromaticContact CD2-CD2 3.54Å; F655-H718 AromaticContact CD2-CE1 3.55Å; F655-H718 AromaticContact CD2-NE2 3.17Å; F655-H718 WeakPolarHBondContact CD2-NE2 3.39Å; F655-H718 AromaticContact CE2-NE2 3.6Å; T676-H718 PolarHBondContact OG1-CE1 3.45Å; T676-H718 PolarHBondContact OG1-ND1 3.32Å; D677-H718 VanDerWaalsContact CG-ND1 3.33Å; D677-H718 IonicContact OD1-CE1 3.5Å; D677-H718 IonicContact OD1-CG 2.77Å; D677-H718 IonicContact OD1-ND1 2.8Å; D677-H718 PolarHBondContact OD1-ND1 3.27Å; D677-H718 IonicContact OD2-CE1 2.77Å; D677-H718 IonicContact OD2-CG 3.77Å; D677-H718 IonicContact OD2-ND1 3.73Å; D677-H718 PolarHBondContact OD2-ND1 2.98Å; S716-H718 WeakPolarHBondContact CB-O 3.42Å; S716-H718 PolarHBondContact OG-N 3.29Å; S716-H718 VanDerWaalsContact OG-N 3.08Å; S716-H718 PolarHBondContact OG-O 3.48Å
719	K	98.5	Very high	96.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.114	C	C	.	.			trans	-100.2	134.8	171.3	-65.7	-62.9	-174.2	-76.2	0	111.3	T654 F657 T661 N662 S709 M711 Y713	T654-K719 PolarHBondContact O-N 2.94Å; F657-K719 HydrophobicContact CD2-CG 3.7Å; F657-K719 HydrophobicContact CE2-CB 4.33Å; F657-K719 HydrophobicContact CE2-CG 3.44Å; F657-K719 VanDerWaalsContact CE2-CG 3.44Å; F657-K719 HydrophobicContact CZ-CG 4.1Å; T661-K719 PolarHBondContact O-NZ 3.41Å; N662-K719 WeakPolarHBondContact OD1-CE 3.39Å; N662-K719 PolarHBondContact OD1-NZ 2.99Å; S709-K719 WeakPolarHBondContact OG-CB 3.21Å; M711-K719 HydrophobicContact CE-CG 4.4Å; M711-K719 HydrophobicContact SD-CB 4.45Å; M711-K719 HydrophobicContact SD-CG 3.95Å; Y713-K719 WeakPolarHBondContact O-CD 3.21Å; Y713-K719 VanDerWaalsContact O-CE 3.24Å; Y713-K719 WeakPolarHBondContact O-CE 3.47Å
720	P	98.6	Very high	95.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.			trans	-61.1	148.2	179.9	12.7	-14.9	0	0	0	111.2	W427 L441 S709 H710 Y713	W427-P720 HydrophobicContact CB-CB 3.93Å; W427-P720 HydrophobicContact CD2-CB 3.65Å; W427-P720 HydrophobicContact CD2-CG 3.67Å; W427-P720 HydrophobicContact CE3-CB 3.97Å; W427-P720 HydrophobicContact CE3-CG 3.93Å; W427-P720 HydrophobicContact CG-CB 3.63Å; W427-P720 HydrophobicContact CG-CG 4.1Å; W427-P720 HydrophobicContact CH2-CG 4.24Å; W427-P720 HydrophobicContact CZ2-CG 4Å; W427-P720 HydrophobicContact CZ3-CG 4.19Å; L441-P720 HydrophobicContact CD1-CB 3.84Å; L441-P720 HydrophobicContact CD1-CG 4.3Å; L441-P720 HydrophobicContact CD2-CB 4.11Å; L441-P720 HydrophobicContact CD2-CG 4.39Å; S709-P720 CarbonylContact C-O 3.58Å; S709-P720 VanDerWaalsContact CA-O 3.3Å; S709-P720 WeakPolarHBondContact CA-O 3.15Å; S709-P720 PolarHBondContact OG-O 2.92Å; S709-P720 VanDerWaalsContact OG-O 3.13Å; H710-P720 HydrophobicContact CB-CG 4.07Å; H710-P720 PolarHBondContact N-O 2.98Å; Y713-P720 HydrophobicContact CD2-CG 3.71Å; Y713-P720 HydrophobicContact CG-CG 3.98Å
721	V	98.8	Very high	94.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.9	177	179.1	0	0	0	0	108.7	V425 T426 F651 T654 D677 I679 Y707 R708	V425-V721 CarbonylContact C-O 3.37Å; V425-V721 WeakPolarHBondContact CA-O 3.43Å; T426-V721 HydrophobicContact CG2-CB 3.92Å; T426-V721 PolarHBondContact N-O 2.82Å; T426-V721 PolarHBondContact O-N 3.26Å; F651-V721 HydrophobicContact CE2-CG1 4.48Å; F651-V721 HydrophobicContact CE2-CG2 4.21Å; F651-V721 HydrophobicContact CZ-CG1 4.05Å; T654-V721 HydrophobicContact CG2-CG2 3.47Å; T654-V721 VanDerWaalsContact CG2-CG2 3.47Å; D677-V721 HydrophobicContact CB-CG2 3.86Å; I679-V721 HydrophobicContact CD1-CG1 4.11Å; I679-V721 HydrophobicContact CG1-CG1 4.38Å; Y707-V721 HydrophobicContact CD2-CG1 3.95Å; Y707-V721 HydrophobicContact CE2-CG1 3.51Å; R708-V721 CarbonylContact O-C 3.53Å; R708-V721 WeakPolarHBondContact O-CA 3.4Å
722	A	98.4	Very high	94.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.1	177.9	0	0	0	0	0	110.8	V424 V425 L441 Y707 R708	V424-A722 CarbonylContact O-C 3.45Å; V424-A722 WeakPolarHBondContact O-CA 3.41Å; V425-A722 HydrophobicContact CG2-CB 4.2Å; L441-A722 HydrophobicContact CD1-CB 4.2Å; Y707-A722 WeakPolarHBondContact CA-O 3.39Å; R708-A722 PolarHBondContact N-O 2.99Å; R708-A722 PolarHBondContact O-N 3.39Å
723	A	97.9	Very high	93.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	134.9	171.5	0	0	0	0	0	110.8	T423 V424 I679 S706 Y707 F725	T423-A723 CarbonylContact C-O 3.52Å; T423-A723 WeakPolarHBondContact CA-O 3.4Å; V424-A723 PolarHBondContact N-O 3.24Å; V424-A723 PolarHBondContact O-N 3.2Å; I679-A723 HydrophobicContact CB-CB 4.4Å; I679-A723 HydrophobicContact CD1-CB 3.75Å; I679-A723 HydrophobicContact CG2-CB 4.18Å; S706-A723 WeakPolarHBondContact O-CA 3.13Å; S706-A723 WeakPolarHBondContact O-CB 3.08Å; Y707-A723 HydrophobicContact CD2-CB 3.97Å; A723-F725 HydrophobicContact CB-CD2 4.41Å; A723-F725 HydrophobicContact CB-CE2 3.52Å; A723-F725 HydrophobicContact CB-CZ 3.79Å
724	Q	96.6	Very high	93.1	Very high	16 Å²	16	25 Å²	25	8%	0.075	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	139.1	172	-64.5	170.2	-48.7	0	0	110.2	I422 H443 Q704 H705 S706	I422-Q724 CarbonylContact O-C 3.58Å; H443-Q724 PolarHBondContact CD2-NE2 3.06Å; H443-Q724 VanDerWaalsContact CD2-NE2 3.34Å; Q704-Q724 CarbonylContact C-O 3.57Å; Q704-Q724 WeakPolarHBondContact CA-O 3.45Å; H705-Q724 HydrophobicContact CB-CB 4.23Å; H705-Q724 PolarHBondContact N-O 2.85Å; H705-Q724 PolarHBondContact ND1-OE1 3.43Å; S706-Q724 PolarHBondContact N-O 2.88Å; S706-Q724 PolarHBondContact O-N 2.8Å; S706-Q724 VanDerWaalsContact O-N 3.12Å; S706-Q724 WeakPolarHBondContact OG-CB 3.15Å; S706-Q724 WeakPolarHBondContact OG-CG 3.5Å; S706-Q724 PolarHBondContact OG-N 3.21Å; S706-Q724 PolarHBondContact OG-OE1 3.47Å
725	F	97.4	Very high	92.6	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.7	178	-59	-88.8	0	0	0	110.5	R421 I422 V424 F596 I679 W681 V702 T703 Q704 A723 L727	R421-F725 CarbonylContact C-O 3.58Å; R421-F725 WeakPolarHBondContact CA-O 3.37Å; I422-F725 PolarHBondContact N-O 3.3Å; I422-F725 PolarHBondContact O-N 3.07Å; V424-F725 HydrophobicContact CB-CE2 4.18Å; V424-F725 HydrophobicContact CG2-CD2 4.09Å; V424-F725 HydrophobicContact CG2-CE2 3.9Å; F596-F725 HydrophobicContact CD1-CD2 4.48Å; F596-F725 HydrophobicContact CD1-CE2 4.11Å; F596-F725 HydrophobicContact CD1-CZ 4.27Å; F596-F725 HydrophobicContact CE1-CD1 4.01Å; F596-F725 AromaticContact CE1-CD2 3.52Å; F596-F725 HydrophobicContact CE1-CD2 3.52Å; F596-F725 HydrophobicContact CE1-CE1 4.02Å; F596-F725 AromaticContact CE1-CE2 3.53Å; F596-F725 HydrophobicContact CE1-CE2 3.53Å; F596-F725 AromaticContact CE1-CG 3.77Å; F596-F725 HydrophobicContact CE1-CG 3.77Å; F596-F725 AromaticContact CE1-CZ 3.78Å; F596-F725 HydrophobicContact CE1-CZ 3.78Å; F596-F725 HydrophobicContact CZ-CB 4.36Å; F596-F725 AromaticContact CZ-CD2 3.96Å; F596-F725 HydrophobicContact CZ-CD2 3.96Å; F596-F725 HydrophobicContact CZ-CE2 4.4Å; F596-F725 HydrophobicContact CZ-CG 4.05Å; I679-F725 HydrophobicContact CG2-CE2 4.1Å; I679-F725 HydrophobicContact CG2-CZ 4.03Å; W681-F725 HydrophobicContact CD2-CD1 4.49Å; W681-F725 AromaticContact CD2-CE1 3.7Å; W681-F725 HydrophobicContact CD2-CE1 3.7Å; W681-F725 HydrophobicContact CD2-CZ 4.45Å; W681-F725 AromaticContact CE3-CE1 3.52Å; W681-F725 HydrophobicContact CE3-CE1 3.52Å; W681-F725 AromaticContact CE3-CZ 3.98Å; W681-F725 HydrophobicContact CE3-CZ 3.98Å; W681-F725 HydrophobicContact CG-CE1 4.18Å; W681-F725 HydrophobicContact CH2-CE1 4.41Å; W681-F725 AromaticContact CZ3-CE1 3.89Å; W681-F725 HydrophobicContact CZ3-CE1 3.89Å; W681-F725 HydrophobicContact CZ3-CZ 4.44Å; V702-F725 HydrophobicContact CG1-CB 4.38Å; V702-F725 HydrophobicContact CG1-CD1 4Å; T703-F725 CarbonylContact O-C 3.59Å; T703-F725 WeakPolarHBondContact O-CA 3.4Å; Q704-F725 HydrophobicContact CB-CD1 3.79Å; Q704-F725 HydrophobicContact CB-CE1 3.67Å; Q704-F725 HydrophobicContact CG-CD1 3.96Å; Q704-F725 HydrophobicContact CG-CE1 3.57Å; Q704-F725 HydrophobicContact CG-CZ 4.07Å; A723-F725 HydrophobicContact CB-CD2 4.41Å; A723-F725 HydrophobicContact CB-CE2 3.52Å; A723-F725 HydrophobicContact CB-CZ 3.79Å; F725-L727 HydrophobicContact CB-CD1 4.22Å
726	I	95.9	Very high	92.3	Very high	32 Å²	32	24.1 Å²	24.1	16%	0.164	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	121.4	170	-54.8	178	0	0	0	107.5	R421 T703	R421-I726 HydrophobicContact CG-CG1 4.43Å; T703-I726 PolarHBondContact N-O 3.46Å; T703-I726 PolarHBondContact O-N 2.82Å
727	L	94.9	Very high	91.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.7	173.9	-84.6	62.3	0	0	0	109.5	G419 F420 I422 L551 L594 L700 Q701 V702 F725 F729	G419-L727 CarbonylContact C-O 3.47Å; G419-L727 WeakPolarHBondContact CA-O 3.15Å; F420-L727 HydrophobicContact CB-CB 4.31Å; F420-L727 HydrophobicContact CD1-CD2 4.47Å; F420-L727 PolarHBondContact N-O 2.89Å; F420-L727 PolarHBondContact O-N 2.77Å; I422-L727 HydrophobicContact CD1-CD1 3.75Å; I422-L727 HydrophobicContact CD1-CD2 3.59Å; I422-L727 HydrophobicContact CD1-CG 4.31Å; I422-L727 HydrophobicContact CG1-CD1 4.02Å; I422-L727 HydrophobicContact CG1-CD2 4.46Å; L551-L727 HydrophobicContact CD1-CD2 4.39Å; L551-L727 HydrophobicContact CD2-CD2 4.18Å; L594-L727 HydrophobicContact CD2-CD1 4.08Å; L594-L727 HydrophobicContact CD2-CD2 3.9Å; L594-L727 HydrophobicContact CD2-CG 4.15Å; L700-L727 HydrophobicContact CD1-CB 4.13Å; L700-L727 HydrophobicContact CD1-CD2 4.23Å; L700-L727 HydrophobicContact CD1-CG 4.06Å; Q701-L727 WeakPolarHBondContact O-CA 3.23Å; V702-L727 HydrophobicContact CG1-CD1 4.21Å; V702-L727 HydrophobicContact CG2-CD1 4.42Å; V702-L727 HydrophobicContact CG2-CG 4.25Å; F725-L727 HydrophobicContact CB-CD1 4.22Å; L727-F729 HydrophobicContact CB-CE1 4.43Å; L727-F729 HydrophobicContact CB-CZ 4.21Å; L727-F729 HydrophobicContact CD2-CE1 3.98Å; L727-F729 HydrophobicContact CD2-CZ 3.99Å
728	Q	92.1	Very high	91.7	Very high	86 Å²	86	23.5 Å²	23.5	40%	0.402	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	110.2	167.8	-64.6	177	-20.1	0	0	108.3	Q701	Q701-Q728 HydrophobicContact CB-CB 4.23Å; Q701-Q728 PolarHBondContact N-O 3Å; Q701-Q728 PolarHBondContact O-N 2.68Å
729	F	85.4	Confident	91.5	Very high	3 Å²	3	28.7 Å²	28.7	1%	0.013	14%	0.142	C	C	.	.			trans	-80.4	137.3	179.9	-56.5	-72.9	0	0	0	110.7	T413 F420 F547 H549 L700 L727 F731 R732	T413-F729 PolarHBondContact OG1-O 3.22Å; F420-F729 HydrophobicContact CB-CD2 4.49Å; F420-F729 HydrophobicContact CB-CE2 3.53Å; F420-F729 HydrophobicContact CB-CZ 4.06Å; F420-F729 HydrophobicContact CD1-CE2 4.42Å; F420-F729 HydrophobicContact CD1-CZ 4.16Å; F420-F729 HydrophobicContact CG-CE2 4.05Å; F420-F729 HydrophobicContact CG-CZ 4.26Å; F547-F729 HydrophobicContact CB-CE2 4.46Å; F547-F729 HydrophobicContact CD2-CD2 4.25Å; F547-F729 AromaticContact CD2-CE2 3.43Å; F547-F729 HydrophobicContact CD2-CE2 3.43Å; F547-F729 VanDerWaalsContact CD2-CE2 3.43Å; F547-F729 AromaticContact CD2-CZ 3.6Å; F547-F729 HydrophobicContact CD2-CZ 3.6Å; F547-F729 AromaticContact CE2-CE2 3.98Å; F547-F729 HydrophobicContact CE2-CE2 3.98Å; F547-F729 HydrophobicContact CE2-CZ 4.26Å; F547-F729 HydrophobicContact CG-CE2 4.18Å; H549-F729 HydrophobicContact CB-CD1 4.13Å; H549-F729 HydrophobicContact CB-CE1 4.1Å; H549-F729 AromaticContact CD2-CD1 3.34Å; H549-F729 WeakPolarHBondContact CD2-CD1 3.43Å; H549-F729 AromaticContact CG-CD1 3.61Å; H549-F729 AromaticContact NE2-CD1 3.83Å; L700-F729 HydrophobicContact CD1-CD1 3.65Å; L700-F729 HydrophobicContact CD1-CE1 3.95Å; L700-F729 HydrophobicContact CD1-CG 4.46Å; L727-F729 HydrophobicContact CB-CE1 4.43Å; L727-F729 HydrophobicContact CB-CZ 4.21Å; L727-F729 HydrophobicContact CD2-CE1 3.98Å; L727-F729 HydrophobicContact CD2-CZ 3.99Å; F729-F731 VanDerWaalsContact C-N 3.3Å; F729-F731 VanDerWaalsContact CB-O 3.3Å; F729-F731 WeakPolarHBondContact CB-O 3.15Å; F729-F731 PolarHBondContact O-N 3.42Å; F729-R732 HydrophobicContact CB-CG 3.78Å; F729-R732 HydrophobicContact CD2-CG 4.02Å; F729-R732 HydrophobicContact CG-CG 4.26Å
730	A	77.2	Confident	91.2	Very high	32 Å²	32	29.7 Å²	29.7	26%	0.264	15%	0.147	S	C	.	.	S	Bend	trans	-72.1	-24.9	178.2	0	0	0	0	0	113.7	S697	S697-A730 WeakPolarHBondContact O-CB 3.25Å
731	F	80.8	Confident	90.7	Very high	64 Å²	64	32.9 Å²	32.9	28%	0.281	16%	0.162	S	C	.	.	S	Bend	trans	-147.1	157.8	168.8	69.7	-91.7	0	0	0	106.6	A410 H549 F729	A410-F731 HydrophobicContact CB-CB 4.29Å; H549-F731 AromaticContact CE1-CD1 3.85Å; H549-F731 AromaticContact CE1-CE1 3.43Å; H549-F731 VanDerWaalsContact CE1-CE1 3.43Å; H549-F731 WeakPolarHBondContact CE1-CE1 3.09Å; H549-F731 AromaticContact CE1-CZ 3.7Å; H549-F731 AromaticContact NE2-CD1 3.87Å; H549-F731 AromaticContact NE2-CD2 4Å; H549-F731 AromaticContact NE2-CE1 3.61Å; H549-F731 AromaticContact NE2-CE2 3.73Å; H549-F731 AromaticContact NE2-CZ 3.52Å; H549-F731 PolarHBondContact NE2-O 2.91Å; F729-F731 VanDerWaalsContact C-N 3.3Å; F729-F731 VanDerWaalsContact CB-O 3.3Å; F729-F731 WeakPolarHBondContact CB-O 3.15Å; F729-F731 PolarHBondContact O-N 3.42Å
732	R	82.1	Confident	89.9	Confident	45 Å²	45	35 Å²	35	17%	0.17	18%	0.175	C	C	.	.			trans	-128.9	134.1	175.7	-64.1	170.7	60.5	121.5	10.8	110.6	T413 D417 F547 F729 D734	T413-R732 HydrophobicContact CG2-CG 3.87Å; D417-R732 IonicContact OD1-NH1 3.59Å; D417-R732 WeakPolarHBondContact OD2-CD 3.08Å; D417-R732 IonicContact OD2-CZ 3.11Å; D417-R732 IonicContact OD2-NH1 3.78Å; D417-R732 PolarHBondContact OD2-NH1 2.84Å; F547-R732 HydrophobicContact CB-CB 4.29Å; F547-R732 VanDerWaalsContact CE1-NH2 3.29Å; F729-R732 HydrophobicContact CB-CG 3.78Å; F729-R732 HydrophobicContact CD2-CG 4.02Å; F729-R732 HydrophobicContact CG-CG 4.26Å; R732-D734 VanDerWaalsContact C-N 3.33Å; R732-D734 WeakPolarHBondContact CB-OD2 3.37Å; R732-D734 WeakPolarHBondContact CD-OD2 3.34Å; R732-D734 IonicContact CZ-OD1 3.88Å; R732-D734 IonicContact CZ-OD2 3.59Å; R732-D734 VanDerWaalsContact NE-CG 3.35Å; R732-D734 IonicContact NE-OD1 3.75Å; R732-D734 PolarHBondContact NE-OD1 3.24Å; R732-D734 IonicContact NE-OD2 2.72Å; R732-D734 PolarHBondContact NE-OD2 2.92Å; R732-D734 IonicContact NH2-OD1 3.74Å; R732-D734 PolarHBondContact NH2-OD1 3.07Å; R732-D734 IonicContact NH2-OD2 3.91Å; R732-D734 PolarHBondContact O-N 2.71Å
733	D	84.9	Confident	88.8	Confident	48 Å²	48	37.1 Å²	37.1	26%	0.257	19%	0.192	S	C	.	.			trans	-90.7	73.5	165	-167.6	-20	0	0	0	108.8	R519 F547 V735	R519-D733 IonicContact CZ-OD1 3.2Å; R519-D733 IonicContact CZ-OD2 3.33Å; R519-D733 IonicContact NH1-OD1 3.76Å; R519-D733 IonicContact NH1-OD2 2.84Å; R519-D733 PolarHBondContact NH1-OD2 2.82Å; R519-D733 IonicContact NH2-OD1 3.47Å; R519-D733 PolarHBondContact NH2-OD1 3.42Å; R519-D733 IonicContact NH2-OD2 2.7Å; R519-D733 PolarHBondContact NH2-OD2 3.27Å; F547-D733 PolarHBondContact O-N 2.96Å; D733-V735 PolarHBondContact O-N 2.68Å; D733-V735 PolarHBondContact OD1-N 2.98Å
734	D	85.3	Confident	87.5	Confident	72 Å²	72	44.5 Å²	44.5	39%	0.385	23%	0.232	S	C	.	.			trans	-83.2	29.1	173.5	-59	-60.7	0	0	0	111.5	F517 F547 R732	F517-D734 HydrophobicContact CE1-CB 4.46Å; F517-D734 VanDerWaalsContact CE1-O 3.24Å; F517-D734 WeakPolarHBondContact CE1-O 3.03Å; F547-D734 WeakPolarHBondContact CD1-OD1 3.22Å; F547-D734 WeakPolarHBondContact CE1-OD1 3.35Å; R732-D734 VanDerWaalsContact C-N 3.33Å; R732-D734 WeakPolarHBondContact CB-OD2 3.37Å; R732-D734 WeakPolarHBondContact CD-OD2 3.34Å; R732-D734 IonicContact CZ-OD1 3.88Å; R732-D734 IonicContact CZ-OD2 3.59Å; R732-D734 VanDerWaalsContact NE-CG 3.35Å; R732-D734 IonicContact NE-OD1 3.75Å; R732-D734 PolarHBondContact NE-OD1 3.24Å; R732-D734 IonicContact NE-OD2 2.72Å; R732-D734 PolarHBondContact NE-OD2 2.92Å; R732-D734 IonicContact NH2-OD1 3.74Å; R732-D734 PolarHBondContact NH2-OD1 3.07Å; R732-D734 IonicContact NH2-OD2 3.91Å; R732-D734 PolarHBondContact O-N 2.71Å
735	V	87.4	Confident	86.4	Confident	48 Å²	48	48.3 Å²	48.3	29%	0.291	25%	0.25	S	C	.	.			trans	-100.1	118.8	175	-176.6	0	0	0	0	109.3	R519 D733 E759	R519-V735 PolarHBondContact NH2-O 2.77Å; D733-V735 PolarHBondContact O-N 2.68Å; D733-V735 PolarHBondContact OD1-N 2.98Å; V735-E759 HydrophobicContact CG1-CG 4.31Å
736	P	91.1	Very high	85.6	Confident	25 Å²	25	48.2 Å²	48.2	16%	0.162	25%	0.25	C	C	.	.			trans	-75.5	140.3	176.9	33.8	-35.7	0	0	0	109.8	P516 F517 V738 R739 E759	P516-P736 HydrophobicContact CB-CB 3.56Å; F517-P736 HydrophobicContact CE1-CB 4.17Å; P736-V738 VanDerWaalsContact C-N 3.28Å; P736-V738 PolarHBondContact O-N 2.92Å; P736-R739 HydrophobicContact CG-CG 3.68Å; P736-E759 WeakPolarHBondContact O-CG 3.47Å
737	L	90.7	Very high	84.5	Confident	14 Å²	14	49.1 Å²	49.1	7%	0.073	26%	0.261	C	S	.	.	S	Bend	trans	-67.5	-30.8	179.1	-66.9	177.6	0	0	0	112.3	R519 E759 F762 I828	R519-L737 HydrophobicContact CG-CD1 4.39Å; L737-E759 PolarHBondContact O-N 3.11Å; L737-F762 HydrophobicContact CB-CD1 3.85Å; L737-F762 HydrophobicContact CB-CE1 3.93Å; L737-F762 HydrophobicContact CD1-CB 4.28Å; L737-F762 HydrophobicContact CD1-CD1 4.37Å; L737-F762 HydrophobicContact CD1-CG 4.29Å; L737-F762 HydrophobicContact CD2-CD1 4.28Å; L737-F762 HydrophobicContact CG-CD1 4.4Å; L737-F762 WeakPolarHBondContact O-CE1 3.3Å; L737-I828 HydrophobicContact CB-CB 4.25Å; L737-I828 HydrophobicContact CB-CD1 3.97Å; L737-I828 HydrophobicContact CD1-CB 4.34Å; L737-I828 HydrophobicContact CD1-CD1 4.29Å; L737-I828 HydrophobicContact CD1-CG2 4.31Å; L737-I828 PolarHBondContact N-O 2.73Å
738	V	93.2	Very high	83.7	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.7	170.8	178.6	0	0	0	0	109.8	P736 Y756 R757 F762 Y819 I828 G829	P736-V738 VanDerWaalsContact C-N 3.28Å; P736-V738 PolarHBondContact O-N 2.92Å; V738-Y756 HydrophobicContact CG1-CD2 4.13Å; V738-Y756 HydrophobicContact CG1-CG 4.45Å; V738-R757 WeakPolarHBondContact CA-O 3.21Å; V738-F762 HydrophobicContact CG2-CE1 3.81Å; V738-F762 HydrophobicContact CG2-CZ 3.59Å; V738-Y819 HydrophobicContact CB-CD1 4.44Å; V738-Y819 HydrophobicContact CB-CD2 4.38Å; V738-Y819 HydrophobicContact CB-CG 4.11Å; V738-Y819 HydrophobicContact CG1-CD2 3.75Å; V738-Y819 HydrophobicContact CG1-CE2 4.4Å; V738-Y819 HydrophobicContact CG1-CG 3.89Å; V738-Y819 HydrophobicContact CG2-CD1 3.89Å; V738-Y819 HydrophobicContact CG2-CD2 4.15Å; V738-Y819 HydrophobicContact CG2-CE1 4.07Å; V738-Y819 HydrophobicContact CG2-CE2 4.28Å; V738-Y819 HydrophobicContact CG2-CG 3.96Å; V738-I828 HydrophobicContact CG2-CD1 3.82Å; V738-I828 HydrophobicContact CG2-CG1 4.14Å; V738-I828 PolarHBondContact N-O 3.14Å; V738-G829 WeakPolarHBondContact O-CA 3.25Å
739	R	93.4	Very high	83	Confident	116 Å²	116	54.5 Å²	54.5	44%	0.438	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.9	170.6	-59.7	176.3	-155.7	-140.3	8.1	108.5	P736 Y756 R757 E759	P736-R739 HydrophobicContact CG-CG 3.68Å; R739-Y756 CarbonylContact O-C 3.57Å; R739-Y756 WeakPolarHBondContact O-CA 3.4Å; R739-Y756 WeakPolarHBondContact O-CB 3.24Å; R739-R757 HydrophobicContact CB-CB 4.43Å; R739-R757 PolarHBondContact N-O 2.9Å; R739-R757 PolarHBondContact O-N 3.06Å; R739-E759 IonicContact CZ-OE1 2.88Å; R739-E759 IonicContact NE-OE1 2.78Å; R739-E759 PolarHBondContact NE-OE1 2.88Å; R739-E759 VanDerWaalsContact NE-OE1 3.11Å; R739-E759 IonicContact NH2-OE1 3.53Å; R739-E759 PolarHBondContact NH2-OE1 2.81Å
740	L	92.8	Very high	82.9	Confident	21 Å²	21	61.1 Å²	61.1	11%	0.11	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	130.6	175.5	-71.4	154.5	0	0	0	109.2	V754 I770 L817 G829 T831	L740-V754 HydrophobicContact CD2-CG1 3.57Å; L740-I770 HydrophobicContact CD2-CD1 3.86Å; L740-I770 HydrophobicContact CD2-CG1 4.18Å; L740-I770 HydrophobicContact CD2-CG2 4.17Å; L740-L817 HydrophobicContact CD1-CB 4.21Å; L740-L817 WeakPolarHBondContact CD1-O 3.22Å; L740-G829 WeakPolarHBondContact CD1-O 3.34Å; L740-T831 HydrophobicContact CB-CG2 3.49Å; L740-T831 VanDerWaalsContact CB-CG2 3.49Å; L740-T831 HydrophobicContact CD1-CG2 4.28Å; L740-T831 HydrophobicContact CG-CG2 4.49Å
741	E	88.3	Confident	83.1	Confident	67 Å²	67	63.2 Å²	63.2	31%	0.313	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.3	175.1	-71.3	176.4	-175.9	0	0	108.2	R755 R757	E741-R755 HydrophobicContact CB-CB 3.98Å; E741-R755 PolarHBondContact N-O 2.9Å; E741-R755 PolarHBondContact O-N 3.38Å; E741-R755 VanDerWaalsContact O-O 3.06Å; E741-R757 IonicContact OE1-CZ 3.81Å; E741-R757 IonicContact OE1-NE 3.81Å; E741-R757 PolarHBondContact OE1-NE 2.92Å; E741-R757 IonicContact OE1-NH2 2.7Å; E741-R757 PolarHBondContact OE1-NH2 3.2Å; E741-R757 IonicContact OE2-NH2 3.57Å; E741-R757 PolarHBondContact OE2-NH2 2.98Å
742	V	83.3	Confident	83.4	Confident	43 Å²	43	60.2 Å²	60.2	26%	0.261	30%	0.304	S	S	.	.			trans	-132.3	153.9	179.9	71.6	0	0	0	0	108.9	W746 L817 T831 F834	V742-W746 HydrophobicContact CG2-CZ2 3.65Å; V742-L817 HydrophobicContact CB-CD1 3.98Å; V742-L817 HydrophobicContact CG2-CD1 3.72Å; V742-T831 HydrophobicContact CG1-CG2 4.04Å; V742-F834 HydrophobicContact CG1-CD1 4.28Å; V742-F834 HydrophobicContact CG1-CG 4.36Å; V742-F834 HydrophobicContact CG2-CD2 4.31Å; V742-F834 HydrophobicContact CG2-CE2 4.02Å; V742-F834 HydrophobicContact CG2-CZ 4.17Å
743	A	74.9	Confident	83.8	Confident	45 Å²	45	59.8 Å²	59.8	37%	0.372	31%	0.307	S	S	.	.			trans	-71.5	147.3	167.7	0	0	0	0	0	110.2	E745	A743-E745 PolarHBondContact O-N 2.77Å; A743-E745 VanDerWaalsContact O-N 3.1Å
744	D	69.5	Low	84.1	Confident	156 Å²	156	57.5 Å²	57.5	83%	0.834	30%	0.295	S	S	*	.	S	Bend	trans	-59.8	-25.9	-174.4	-49.5	-64.1	0	0	0	113.4
745	E	74.3	Confident	84.4	Confident	95 Å²	95	58 Å²	58	44%	0.444	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	140.5	173	-168	-172.3	168.9	0	0	110.3	A743	A743-E745 PolarHBondContact O-N 2.77Å; A743-E745 VanDerWaalsContact O-N 3.1Å
746	W	80.5	Confident	84.6	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	83.6	166	-61.4	-13.4	0	0	0	110	V742 R748 Q751 A752 V754 L772 F803 L808 L817 F834 Q835 P836 L837	V742-W746 HydrophobicContact CG2-CZ2 3.65Å; W746-R748 PolarHBondContact O-N 2.75Å; W746-Q751 HydrophobicContact CB-CB 4.36Å; W746-Q751 HydrophobicContact CG-CB 4.5Å; W746-Q751 PolarHBondContact NE1-O 2.75Å; W746-Q751 VanDerWaalsContact NE1-O 3.11Å; W746-A752 HydrophobicContact CD2-CB 4.18Å; W746-A752 HydrophobicContact CE3-CB 3.8Å; W746-A752 HydrophobicContact CH2-CB 4.37Å; W746-A752 HydrophobicContact CZ3-CB 3.92Å; W746-V754 HydrophobicContact CH2-CG2 4.03Å; W746-V754 HydrophobicContact CZ2-CG2 3.78Å; W746-L772 HydrophobicContact CZ3-CD2 4.45Å; W746-F803 AromaticContact CH2-CD2 3.9Å; W746-F803 HydrophobicContact CH2-CD2 3.9Å; W746-F803 HydrophobicContact CH2-CE2 4.29Å; W746-F803 HydrophobicContact CZ3-CD2 4.47Å; W746-L808 HydrophobicContact CE3-CD2 4.07Å; W746-L808 HydrophobicContact CZ3-CD2 3.7Å; W746-L817 HydrophobicContact CH2-CD1 4.33Å; W746-L817 HydrophobicContact CH2-CD2 4.45Å; W746-L817 HydrophobicContact CZ2-CD1 4.09Å; W746-F834 AromaticContact CD2-CE2 3.87Å; W746-F834 HydrophobicContact CD2-CE2 3.87Å; W746-F834 AromaticContact CE2-CE2 3.81Å; W746-F834 HydrophobicContact CE3-CE2 4.19Å; W746-F834 HydrophobicContact CG-CE2 4.35Å; W746-F834 HydrophobicContact CH2-CE2 4.41Å; W746-F834 HydrophobicContact CH2-CZ 4.29Å; W746-F834 HydrophobicContact CZ2-CE2 4.11Å; W746-F834 HydrophobicContact CZ2-CZ 4.21Å; W746-F834 HydrophobicContact CZ3-CE2 4.44Å; W746-Q835 PolarHBondContact N-O 2.84Å; W746-Q835 VanDerWaalsContact N-O 3.12Å; W746-P836 HydrophobicContact CD2-CB 4.4Å; W746-P836 HydrophobicContact CE3-CB 3.74Å; W746-P836 HydrophobicContact CZ3-CB 4.42Å; W746-L837 HydrophobicContact CB-CD1 3.98Å; W746-L837 WeakPolarHBondContact O-CA 3.17Å; W746-L837 WeakPolarHBondContact O-CD1 3.44Å; W746-L837 PolarHBondContact O-N 3.37Å
747	A	73.4	Confident	84.6	Confident	50 Å²	50	59.4 Å²	59.4	41%	0.413	29%	0.288	S	S	.	.			trans	-71.2	-17.1	179	0	0	0	0	0	113.7	Q751	A747-Q751 VanDerWaalsContact N-OE1 3.09Å
748	R	76.4	Confident	84.5	Confident	168 Å²	168	59.2 Å²	59.2	63%	0.634	29%	0.287	S	S	*	.	S	Bend	trans	-145	156.4	179.7	-51.4	-176.3	-178.9	146.9	3.4	112.9	W746 E750 Q751	W746-R748 PolarHBondContact O-N 2.75Å; R748-E750 WeakPolarHBondContact CB-OE2 3.3Å; R748-E750 PolarHBondContact O-N 2.78Å; R748-Q751 WeakPolarHBondContact O-CB 3.39Å; R748-Q751 PolarHBondContact O-N 3.17Å
749	P	79.1	Confident	83.8	Confident	32 Å²	32	61.1 Å²	61.1	21%	0.208	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-58.7	-31.1	-177.5	-22.4	33.2	0	0	0	114.2	Q751 A752 E805 L837	P749-Q751 PolarHBondContact O-N 3.24Å; P749-A752 WeakPolarHBondContact O-CB 3.49Å; P749-A752 PolarHBondContact O-N 3.23Å; P749-E805 HydrophobicContact CB-CB 4.04Å; P749-E805 HydrophobicContact CB-CG 3.97Å; P749-E805 HydrophobicContact CG-CB 4.42Å; P749-E805 HydrophobicContact CG-CG 3.79Å; P749-L837 HydrophobicContact CG-CD2 3.97Å
750	E	82.4	Confident	82.5	Confident	142 Å²	142	60.7 Å²	60.7	66%	0.664	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-68.3	-16.1	178.7	-49.5	78.8	-171.4	0	0	112.6	R748	R748-E750 WeakPolarHBondContact CB-OE2 3.3Å; R748-E750 PolarHBondContact O-N 2.78Å
751	Q	81.9	Confident	81.3	Confident	76 Å²	76	64.9 Å²	64.9	36%	0.355	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-87.6	-4.7	174.7	-59.1	177.9	-89.6	0	0	113.1	W746 A747 R748 P749 V753	W746-Q751 HydrophobicContact CB-CB 4.36Å; W746-Q751 HydrophobicContact CG-CB 4.5Å; W746-Q751 PolarHBondContact NE1-O 2.75Å; W746-Q751 VanDerWaalsContact NE1-O 3.11Å; A747-Q751 VanDerWaalsContact N-OE1 3.09Å; R748-Q751 WeakPolarHBondContact O-CB 3.39Å; R748-Q751 PolarHBondContact O-N 3.17Å; P749-Q751 PolarHBondContact O-N 3.24Å; Q751-V753 PolarHBondContact O-N 3.26Å
752	A	87.4	Confident	80.8	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.323	C	S	.	.			trans	-73.4	41.9	-179.3	0	0	0	0	0	113.8	W746 P749 T802 F803 L808	W746-A752 HydrophobicContact CD2-CB 4.18Å; W746-A752 HydrophobicContact CE3-CB 3.8Å; W746-A752 HydrophobicContact CH2-CB 4.37Å; W746-A752 HydrophobicContact CZ3-CB 3.92Å; P749-A752 WeakPolarHBondContact O-CB 3.49Å; P749-A752 PolarHBondContact O-N 3.23Å; A752-T802 WeakPolarHBondContact O-CA 3.36Å; A752-F803 HydrophobicContact CB-CB 4.29Å; A752-F803 PolarHBondContact O-N 3.14Å; A752-L808 HydrophobicContact CB-CD1 3.82Å; A752-L808 HydrophobicContact CB-CD2 4.15Å
753	V	89.1	Confident	80.7	Confident	37 Å²	37	64 Å²	64	22%	0.224	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.9	-176.3	179.7	0	0	0	0	108.3	Q751 Q800 V801 T802	Q751-V753 PolarHBondContact O-N 3.26Å; V753-Q800 HydrophobicContact CG1-CG 3.42Å; V753-Q800 VanDerWaalsContact CG1-CG 3.42Å; V753-V801 WeakPolarHBondContact CA-O 3.3Å; V753-T802 HydrophobicContact CG2-CG2 4.12Å
754	V	91.8	Very high	81.3	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.9	173.5	-176.3	0	0	0	0	108.2	L740 W746 I770 Q800 V801 F803 L817	L740-V754 HydrophobicContact CD2-CG1 3.57Å; W746-V754 HydrophobicContact CH2-CG2 4.03Å; W746-V754 HydrophobicContact CZ2-CG2 3.78Å; V754-I770 HydrophobicContact CG1-CD1 4.33Å; V754-I770 HydrophobicContact CG1-CG2 4.5Å; V754-Q800 WeakPolarHBondContact O-CA 3.33Å; V754-V801 HydrophobicContact CB-CG2 3.92Å; V754-V801 PolarHBondContact N-O 2.92Å; V754-V801 PolarHBondContact O-N 3.45Å; V754-F803 HydrophobicContact CG2-CD2 4.21Å; V754-F803 HydrophobicContact CG2-CE2 3.83Å; V754-L817 HydrophobicContact CB-CD1 4.46Å; V754-L817 HydrophobicContact CG1-CD1 4.15Å; V754-L817 HydrophobicContact CG2-CD1 3.46Å; V754-L817 VanDerWaalsContact CG2-CD1 3.46Å; V754-L817 HydrophobicContact CG2-CD2 3.9Å; V754-L817 HydrophobicContact CG2-CG 4.32Å
755	R	91.4	Very high	82.2	Confident	82 Å²	82	57.4 Å²	57.4	31%	0.309	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	148.4	168.3	-67.1	172.9	67.2	85.4	-7.1	107.8	E741 Y799 Q800	E741-R755 HydrophobicContact CB-CB 3.98Å; E741-R755 PolarHBondContact N-O 2.9Å; E741-R755 PolarHBondContact O-N 3.38Å; E741-R755 VanDerWaalsContact O-O 3.06Å; R755-Y799 CarbonylContact C-O 3.58Å; R755-Y799 WeakPolarHBondContact CA-O 3.36Å; R755-Q800 HydrophobicContact CG-CB 4.48Å; R755-Q800 HydrophobicContact CG-CG 4.03Å
756	Y	92.2	Very high	83	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	145.9	174.6	57.6	-82.1	0	0	0	112.4	V738 R739 V758 I770 K790 I798 Y799 V801 Y819	V738-Y756 HydrophobicContact CG1-CD2 4.13Å; V738-Y756 HydrophobicContact CG1-CG 4.45Å; R739-Y756 CarbonylContact O-C 3.57Å; R739-Y756 WeakPolarHBondContact O-CA 3.4Å; R739-Y756 WeakPolarHBondContact O-CB 3.24Å; Y756-V758 HydrophobicContact CD2-CG2 3.9Å; Y756-V758 HydrophobicContact CE2-CG2 4.03Å; Y756-I770 HydrophobicContact CD1-CD1 3.43Å; Y756-I770 VanDerWaalsContact CD1-CD1 3.43Å; Y756-I770 HydrophobicContact CE1-CD1 3.46Å; Y756-I770 VanDerWaalsContact CE1-CD1 3.46Å; Y756-I770 HydrophobicContact CG-CD1 4.06Å; Y756-K790 PolarHBondContact OH-N 3.35Å; Y756-K790 PolarHBondContact OH-O 2.87Å; Y756-I798 WeakPolarHBondContact O-CA 3.43Å; Y756-Y799 HydrophobicContact CD2-CD2 4.27Å; Y756-Y799 HydrophobicContact CD2-CG 4.44Å; Y756-Y799 VanDerWaalsContact CE2-CB 3.44Å; Y756-Y799 AromaticContact CE2-CD2 3.99Å; Y756-Y799 HydrophobicContact CE2-CD2 3.99Å; Y756-Y799 AromaticContact CE2-CG 3.86Å; Y756-Y799 HydrophobicContact CE2-CG 3.86Å; Y756-Y799 PolarHBondContact N-O 2.89Å; Y756-Y799 PolarHBondContact O-N 2.91Å; Y756-V801 HydrophobicContact CE1-CG1 4.09Å; Y756-V801 HydrophobicContact CE1-CG2 4.2Å; Y756-Y819 HydrophobicContact CD2-CD2 4.24Å; Y756-Y819 HydrophobicContact CD2-CE2 4.04Å; Y756-Y819 HydrophobicContact CE2-CD2 4.31Å; Y756-Y819 AromaticContact CE2-CE2 3.72Å; Y756-Y819 HydrophobicContact CE2-CE2 3.72Å
757	R	90.7	Very high	83.6	Confident	102 Å²	102	63.8 Å²	63.8	39%	0.385	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	136.6	172.3	-57.3	-172.5	-157.2	-111.1	-9.9	110.1	V738 R739 E741 N797 I798	V738-R757 WeakPolarHBondContact CA-O 3.21Å; R739-R757 HydrophobicContact CB-CB 4.43Å; R739-R757 PolarHBondContact N-O 2.9Å; R739-R757 PolarHBondContact O-N 3.06Å; E741-R757 IonicContact OE1-CZ 3.81Å; E741-R757 IonicContact OE1-NE 3.81Å; E741-R757 PolarHBondContact OE1-NE 2.92Å; E741-R757 IonicContact OE1-NH2 2.7Å; E741-R757 PolarHBondContact OE1-NH2 3.2Å; E741-R757 IonicContact OE2-NH2 3.57Å; E741-R757 PolarHBondContact OE2-NH2 2.98Å; R757-N797 WeakPolarHBondContact CA-O 3.48Å; R757-I798 HydrophobicContact CG-CG1 4.18Å
758	V	87.7	Confident	84.6	Confident	11 Å²	11	61.4 Å²	61.4	7%	0.067	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	124	177.4	-180	0	0	0	0	108	Y756 F762 R764 N797 Y799	Y756-V758 HydrophobicContact CD2-CG2 3.9Å; Y756-V758 HydrophobicContact CE2-CG2 4.03Å; V758-F762 HydrophobicContact CG1-CD1 4.28Å; V758-F762 HydrophobicContact CG1-CE1 3.47Å; V758-F762 VanDerWaalsContact CG1-CE1 3.47Å; V758-F762 HydrophobicContact CG1-CZ 3.86Å; V758-R764 HydrophobicContact CG1-CG 4.25Å; V758-N797 PolarHBondContact N-O 2.99Å; V758-Y799 HydrophobicContact CB-CD2 4.39Å; V758-Y799 HydrophobicContact CB-CE2 4Å; V758-Y799 HydrophobicContact CG2-CD2 3.63Å; V758-Y799 HydrophobicContact CG2-CE2 3.65Å
759	E	80.1	Confident	85.5	Confident	40 Å²	40	54.7 Å²	54.7	19%	0.187	28%	0.281	C	S	.	.			trans	-70.6	136.1	169.2	-62	-65.1	172.7	0	0	109.3	V735 P736 L737 R739 V761	V735-E759 HydrophobicContact CG1-CG 4.31Å; P736-E759 WeakPolarHBondContact O-CG 3.47Å; L737-E759 PolarHBondContact O-N 3.11Å; R739-E759 IonicContact CZ-OE1 2.88Å; R739-E759 IonicContact NE-OE1 2.78Å; R739-E759 PolarHBondContact NE-OE1 2.88Å; R739-E759 VanDerWaalsContact NE-OE1 3.11Å; R739-E759 IonicContact NH2-OE1 3.53Å; R739-E759 PolarHBondContact NH2-OE1 2.81Å; E759-V761 PolarHBondContact O-N 3.27Å
760	T	64.5	Low	86.4	Confident	108 Å²	108	53.1 Å²	53.1	66%	0.663	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	10.3	-164.7	56.8	0	0	0	0	116	N797	T760-N797 VanDerWaalsContact CG2-ND2 3.25Å; T760-N797 WeakPolarHBondContact CG2-ND2 3.45Å
761	V	68.5	Low	87	Confident	108 Å²	108	46.4 Å²	46.4	66%	0.655	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.9	2.5	-160	-150.9	0	0	0	0	113.5	E759	E759-V761 PolarHBondContact O-N 3.27Å
762	F	78.4	Confident	87.6	Confident	27 Å²	27	42.8 Å²	42.8	12%	0.118	22%	0.223	C	C	.	.	S	Bend	trans	-127.9	152.7	179.4	84	-88.2	0	0	0	114.4	L737 V738 V758 R764 H824 I828	L737-F762 HydrophobicContact CB-CD1 3.85Å; L737-F762 HydrophobicContact CB-CE1 3.93Å; L737-F762 HydrophobicContact CD1-CB 4.28Å; L737-F762 HydrophobicContact CD1-CD1 4.37Å; L737-F762 HydrophobicContact CD1-CG 4.29Å; L737-F762 HydrophobicContact CD2-CD1 4.28Å; L737-F762 HydrophobicContact CG-CD1 4.4Å; L737-F762 WeakPolarHBondContact O-CE1 3.3Å; V738-F762 HydrophobicContact CG2-CE1 3.81Å; V738-F762 HydrophobicContact CG2-CZ 3.59Å; V758-F762 HydrophobicContact CG1-CD1 4.28Å; V758-F762 HydrophobicContact CG1-CE1 3.47Å; V758-F762 VanDerWaalsContact CG1-CE1 3.47Å; V758-F762 HydrophobicContact CG1-CZ 3.86Å; F762-R764 HydrophobicContact CE2-CG 4.03Å; F762-R764 HydrophobicContact CZ-CG 4.18Å; F762-R764 PolarHBondContact O-N 2.89Å; F762-H824 AromaticContact CD2-NE2 3.94Å; F762-I828 HydrophobicContact CD2-CD1 4.04Å; F762-I828 HydrophobicContact CE1-CD1 4Å; F762-I828 HydrophobicContact CE2-CD1 3.44Å; F762-I828 VanDerWaalsContact CE2-CD1 3.44Å; F762-I828 HydrophobicContact CZ-CD1 3.41Å; F762-I828 VanDerWaalsContact CZ-CD1 3.41Å
763	A	80.4	Confident	88	Confident	64 Å²	64	42.8 Å²	42.8	53%	0.529	22%	0.223	S	C	.	.			trans	-78.3	108.9	178.2	0	0	0	0	0	110.6	H823	A763-H823 PolarHBondContact O-ND1 2.73Å
764	R	86.9	Confident	88.2	Confident	50 Å²	50	48 Å²	48	19%	0.189	24%	0.238	C	C	.	.			trans	-73.3	158.3	173.5	-49.4	177.3	66.2	-166.5	-9.3	111.4	V758 F762 K790 Y799 H823	V758-R764 HydrophobicContact CG1-CG 4.25Å; F762-R764 HydrophobicContact CE2-CG 4.03Å; F762-R764 HydrophobicContact CZ-CG 4.18Å; F762-R764 PolarHBondContact O-N 2.89Å; R764-K790 PolarHBondContact NH2-O 3.39Å; R764-Y799 PolarHBondContact NH1-OH 3.47Å; R764-H823 PolarHBondContact O-CE1 3.2Å; R764-H823 VanDerWaalsContact O-CE1 3.24Å
765	S	89.7	Confident	88.3	Confident	13 Å²	13	50 Å²	50	9%	0.091	25%	0.25	C	S	.	.			trans	-127.7	149.7	175.6	-158.1	0	0	0	0	112.8	W767 D768 H791	S765-W767 PolarHBondContact O-N 3.42Å; S765-W767 PolarHBondContact OG-N 3.27Å; S765-D768 WeakPolarHBondContact CB-OD1 3.44Å; S765-D768 VanDerWaalsContact N-CG 3.31Å; S765-D768 PolarHBondContact N-OD1 3Å; S765-D768 PolarHBondContact N-OD2 3.47Å; S765-D768 WeakPolarHBondContact O-CB 3.49Å; S765-D768 PolarHBondContact O-N 2.69Å; S765-H791 PolarHBondContact O-CE1 2.86Å; S765-H791 VanDerWaalsContact O-CE1 3.25Å; S765-H791 PolarHBondContact O-NE2 2.87Å
766	S	90.6	Very high	88.3	Confident	90 Å²	90	47.3 Å²	47.3	63%	0.629	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-10.2	164.4	-48.1	0	0	0	0	112.8
767	W	92.8	Very high	88.5	Confident	139 Å²	139	47.9 Å²	47.9	53%	0.527	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	9.8	173.4	-57.4	100.6	0	0	0	113.3	S765 W769 W788 H822	S765-W767 PolarHBondContact O-N 3.42Å; S765-W767 PolarHBondContact OG-N 3.27Å; W767-W769 VanDerWaalsContact O-CE3 3.3Å; W767-W788 AromaticContact CE3-CH2 3.95Å; W767-W788 HydrophobicContact CE3-CH2 3.95Å; W767-W788 HydrophobicContact CE3-CZ3 4.16Å; W767-W788 HydrophobicContact CZ3-CH2 4.39Å; W767-H822 HydrophobicContact CB-CB 3.79Å
768	D	94.8	Very high	88.7	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.242	C	C	.	.			trans	-76.4	144.3	168.9	-65.5	-9.9	0	0	0	109.8	S765 A789 Y819 Y820 S821 H822	S765-D768 WeakPolarHBondContact CB-OD1 3.44Å; S765-D768 VanDerWaalsContact N-CG 3.31Å; S765-D768 PolarHBondContact N-OD1 3Å; S765-D768 PolarHBondContact N-OD2 3.47Å; S765-D768 WeakPolarHBondContact O-CB 3.49Å; S765-D768 PolarHBondContact O-N 2.69Å; D768-A789 HydrophobicContact CB-CB 3.96Å; D768-A789 PolarHBondContact O-N 3.14Å; D768-Y819 HydrophobicContact CB-CE1 3.76Å; D768-Y819 WeakPolarHBondContact CB-OH 3.35Å; D768-Y819 PolarHBondContact OD2-OH 3.37Å; D768-Y820 WeakPolarHBondContact CA-O 3.27Å; D768-Y820 WeakPolarHBondContact CB-O 3.35Å; D768-S821 VanDerWaalsContact OD1-CA 3.3Å; D768-S821 WeakPolarHBondContact OD1-CA 3.47Å; D768-S821 PolarHBondContact OD1-OG 3.43Å; D768-H822 PolarHBondContact OD1-N 3.36Å
769	W	96.1	Very high	89	Confident	27 Å²	27	47.3 Å²	47.3	10%	0.102	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	154.6	178.2	69.1	84.7	0	0	0	112.7	W767 Y783 Y786 V787 W788 Y819 Y820	W767-W769 VanDerWaalsContact O-CE3 3.3Å; W769-Y783 HydrophobicContact CZ2-CE1 4.4Å; W769-Y783 AromaticContact NE1-CD1 3.93Å; W769-Y783 AromaticContact NE1-CE1 3.81Å; W769-Y786 HydrophobicContact CB-CD2 4.07Å; W769-Y786 HydrophobicContact CG-CD2 4.29Å; W769-V787 CarbonylContact C-O 3.48Å; W769-V787 WeakPolarHBondContact CA-O 3.23Å; W769-V787 WeakPolarHBondContact CB-O 3.38Å; W769-W788 HydrophobicContact CB-CE3 4.18Å; W769-W788 HydrophobicContact CB-CZ3 4.49Å; W769-W788 AromaticContact CE3-CZ3 4Å; W769-W788 HydrophobicContact CE3-CZ3 4Å; W769-Y819 CarbonylContact O-C 3.56Å; W769-Y819 WeakPolarHBondContact O-CA 3.44Å; W769-Y820 AromaticContact CD2-CD1 4Å; W769-Y820 HydrophobicContact CD2-CD1 4Å; W769-Y820 HydrophobicContact CD2-CG 4.14Å; W769-Y820 AromaticContact CE2-CD1 3.87Å; W769-Y820 AromaticContact CE2-CG 3.66Å; W769-Y820 AromaticContact CE3-CD1 3.73Å; W769-Y820 HydrophobicContact CE3-CD1 3.73Å; W769-Y820 HydrophobicContact CE3-CE1 4.38Å; W769-Y820 HydrophobicContact CE3-CG 4.34Å; W769-Y820 AromaticContact CH2-CD1 3.22Å; W769-Y820 HydrophobicContact CH2-CD1 3.22Å; W769-Y820 HydrophobicContact CH2-CD2 4.18Å; W769-Y820 AromaticContact CH2-CE1 3.27Å; W769-Y820 HydrophobicContact CH2-CE1 3.27Å; W769-Y820 HydrophobicContact CH2-CE2 4.22Å; W769-Y820 AromaticContact CH2-CG 3.7Å; W769-Y820 HydrophobicContact CH2-CG 3.7Å; W769-Y820 AromaticContact CH2-CZ 3.77Å; W769-Y820 AromaticContact CZ2-CD1 3.51Å; W769-Y820 HydrophobicContact CZ2-CD1 3.51Å; W769-Y820 AromaticContact CZ2-CD2 3.82Å; W769-Y820 HydrophobicContact CZ2-CD2 3.82Å; W769-Y820 AromaticContact CZ2-CE1 3.92Å; W769-Y820 HydrophobicContact CZ2-CE1 3.92Å; W769-Y820 HydrophobicContact CZ2-CE2 4.19Å; W769-Y820 AromaticContact CZ2-CG 3.44Å; W769-Y820 HydrophobicContact CZ2-CG 3.44Å; W769-Y820 VanDerWaalsContact CZ2-CG 3.44Å; W769-Y820 AromaticContact CZ3-CD1 3.34Å; W769-Y820 HydrophobicContact CZ3-CD1 3.34Å; W769-Y820 AromaticContact CZ3-CE1 3.55Å; W769-Y820 HydrophobicContact CZ3-CE1 3.55Å; W769-Y820 HydrophobicContact CZ3-CG 4.14Å; W769-Y820 PolarHBondContact N-O 3.16Å; W769-Y820 VanDerWaalsContact N-O 3.13Å; W769-Y820 PolarHBondContact O-N 2.82Å
770	I	96.6	Very high	89.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	114.9	166.7	-65.7	167.9	0	0	0	107.1	L740 V754 Y756 Y786 V787 V801 F803 L817 G818 Y819	L740-I770 HydrophobicContact CD2-CD1 3.86Å; L740-I770 HydrophobicContact CD2-CG1 4.18Å; L740-I770 HydrophobicContact CD2-CG2 4.17Å; V754-I770 HydrophobicContact CG1-CD1 4.33Å; V754-I770 HydrophobicContact CG1-CG2 4.5Å; Y756-I770 HydrophobicContact CD1-CD1 3.43Å; Y756-I770 VanDerWaalsContact CD1-CD1 3.43Å; Y756-I770 HydrophobicContact CE1-CD1 3.46Å; Y756-I770 VanDerWaalsContact CE1-CD1 3.46Å; Y756-I770 HydrophobicContact CG-CD1 4.06Å; I770-Y786 WeakPolarHBondContact O-CA 3.31Å; I770-V787 HydrophobicContact CB-CG2 4.18Å; I770-V787 PolarHBondContact N-O 2.73Å; I770-V787 PolarHBondContact O-N 3.48Å; I770-V801 HydrophobicContact CD1-CG2 3.8Å; I770-F803 HydrophobicContact CG2-CE2 4.37Å; I770-F803 HydrophobicContact CG2-CZ 4.29Å; I770-L817 HydrophobicContact CG2-CD2 3.84Å; I770-G818 WeakPolarHBondContact CA-O 3.43Å; I770-Y819 HydrophobicContact CD1-CD2 3.96Å; I770-Y819 HydrophobicContact CG1-CD2 3.62Å; I770-Y819 HydrophobicContact CG1-CE2 4.42Å; I770-Y819 HydrophobicContact CG1-CG 4.23Å
771	G	96.1	Very high	91	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	147.5	173.3	0	0	0	0	0	111.1	Y773 A785 L817 G818	G771-Y773 VanDerWaalsContact C-CE2 3.46Å; G771-Y773 WeakPolarHBondContact O-CD2 3.23Å; G771-Y773 VanDerWaalsContact O-CE2 3.26Å; G771-Y773 WeakPolarHBondContact O-CE2 3.05Å; G771-A785 WeakPolarHBondContact CA-O 3.46Å; G771-L817 WeakPolarHBondContact O-CA 3.37Å; G771-G818 PolarHBondContact N-O 2.86Å; G771-G818 PolarHBondContact O-N 2.89Å
772	L	95	Very high	92.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	120.2	164.6	-177.3	66.8	0	0	0	107.7	W746 Y783 V784 A785 F803 P809 F815 L817 F834	W746-L772 HydrophobicContact CZ3-CD2 4.45Å; L772-Y783 CarbonylContact O-C 3.58Å; L772-Y783 VanDerWaalsContact O-CA 3.29Å; L772-Y783 WeakPolarHBondContact O-CA 3.39Å; L772-Y783 WeakPolarHBondContact O-CB 3.09Å; L772-V784 HydrophobicContact CB-CG2 4.3Å; L772-V784 HydrophobicContact CD2-CG2 4.07Å; L772-V784 HydrophobicContact CG-CG2 4.04Å; L772-V784 WeakPolarHBondContact O-CG2 3.34Å; L772-V784 PolarHBondContact O-N 3.06Å; L772-A785 HydrophobicContact CB-CB 4.28Å; L772-A785 PolarHBondContact N-O 2.86Å; L772-F803 HydrophobicContact CB-CE1 3.92Å; L772-F803 HydrophobicContact CB-CZ 4.12Å; L772-P809 HydrophobicContact CD2-CG 4.09Å; L772-F815 HydrophobicContact CD1-CB 3.79Å; L772-F815 HydrophobicContact CD1-CD1 4.47Å; L772-F815 HydrophobicContact CD1-CG 4.44Å; L772-F815 HydrophobicContact CG-CB 4.37Å; L772-F815 HydrophobicContact CG-CD1 4.13Å; L772-L817 HydrophobicContact CB-CD2 4.21Å; L772-L817 HydrophobicContact CD1-CD2 3.88Å; L772-L817 HydrophobicContact CD1-CG 4.04Å; L772-F834 HydrophobicContact CD1-CE1 4.14Å; L772-F834 HydrophobicContact CD1-CZ 3.69Å
773	Y	95.2	Very high	93	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	143.6	-175.5	-55.2	-92.5	0	0	0	109.3	G771 F777 C780 Y783 F815 I816 L827	G771-Y773 VanDerWaalsContact C-CE2 3.46Å; G771-Y773 WeakPolarHBondContact O-CD2 3.23Å; G771-Y773 VanDerWaalsContact O-CE2 3.26Å; G771-Y773 WeakPolarHBondContact O-CE2 3.05Å; Y773-F777 HydrophobicContact CD1-CB 4.44Å; Y773-F777 AromaticContact CD1-CD2 3.69Å; Y773-F777 HydrophobicContact CD1-CD2 3.69Å; Y773-F777 AromaticContact CD1-CE2 4Å; Y773-F777 HydrophobicContact CD1-CE2 4Å; Y773-F777 HydrophobicContact CD1-CG 4.03Å; Y773-F777 HydrophobicContact CE1-CD2 4.38Å; Y773-F777 HydrophobicContact CE1-CE2 4.43Å; Y773-F777 HydrophobicContact CG-CD1 4.27Å; Y773-F777 HydrophobicContact CG-CD2 4.09Å; Y773-F777 HydrophobicContact CG-CE1 4.38Å; Y773-F777 HydrophobicContact CG-CE2 4.19Å; Y773-F777 HydrophobicContact CG-CG 4.13Å; Y773-F777 HydrophobicContact CG-CZ 4.33Å; Y773-C780 PolarHBondContact OH-O 2.92Å; Y773-Y783 HydrophobicContact CE1-CD1 4.12Å; Y773-Y783 HydrophobicContact CE1-CG 4.38Å; Y773-F815 CarbonylContact O-C 3.56Å; Y773-F815 WeakPolarHBondContact O-CA 3.48Å; Y773-F815 VanDerWaalsContact O-CB 3.31Å; Y773-F815 WeakPolarHBondContact O-CB 3.13Å; Y773-F815 WeakPolarHBondContact O-CD1 3.4Å; Y773-I816 PolarHBondContact N-O 2.91Å; Y773-I816 PolarHBondContact O-N 2.87Å; Y773-L827 HydrophobicContact CE2-CD1 4.38Å; Y773-L827 HydrophobicContact CE2-CD2 4.26Å
774	R	93.8	Very high	93.6	Very high	147 Å²	147	47.3 Å²	47.3	56%	0.555	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	145.9	169.8	-165.3	177.1	-176.4	-82	2.5	109.2	G776 F777 F815	R774-G776 PolarHBondContact O-N 2.78Å; R774-F777 WeakPolarHBondContact O-CB 3.49Å; R774-F777 WeakPolarHBondContact O-CD1 3.22Å; R774-F777 PolarHBondContact O-N 3.36Å; R774-F777 VanDerWaalsContact O-N 3.13Å; R774-F815 HydrophobicContact CB-CD1 4.11Å; R774-F815 HydrophobicContact CB-CE1 3.9Å; R774-F815 HydrophobicContact CG-CD1 4.49Å; R774-F815 HydrophobicContact CG-CE1 4.11Å; R774-F815 HydrophobicContact CG-CZ 4.3Å
775	V	92.9	Very high	93.9	Very high	42 Å²	42	45.2 Å²	45.2	26%	0.255	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	136.1	170.9	170.4	0	0	0	0	109.8	D814 I816 P833	V775-D814 HydrophobicContact CB-CB 4.31Å; V775-D814 HydrophobicContact CG2-CB 3.7Å; V775-D814 WeakPolarHBondContact CG2-O 3.49Å; V775-D814 PolarHBondContact N-O 3.07Å; V775-I816 HydrophobicContact CG2-CD1 3.89Å; V775-I816 HydrophobicContact CG2-CG1 4.05Å; V775-P833 HydrophobicContact CG2-CB 3.87Å; V775-P833 HydrophobicContact CG2-CG 4.03Å
776	G	91.9	Very high	94.2	Very high	25 Å²	25	49.1 Å²	49.1	26%	0.258	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	12.5	-172	0	0	0	0	0	115.8	G489 R774	G489-G776 WeakPolarHBondContact O-CA 3.23Å; R774-G776 PolarHBondContact O-N 2.78Å
777	F	95.4	Very high	94.4	Very high	13 Å²	13	46 Å²	46	6%	0.057	21%	0.211	C	C	.	.			trans	-58.8	141.2	173.8	74.9	-81.5	0	0	0	112.2	V494 Y512 Y773 R774 D782 I816 L827	V494-F777 HydrophobicContact CB-CE2 4.35Å; V494-F777 HydrophobicContact CG1-CD2 4.22Å; V494-F777 HydrophobicContact CG1-CE2 3.79Å; V494-F777 HydrophobicContact CG2-CD2 4.06Å; V494-F777 HydrophobicContact CG2-CE1 4.24Å; V494-F777 HydrophobicContact CG2-CE2 3.53Å; V494-F777 HydrophobicContact CG2-CZ 3.64Å; Y512-F777 HydrophobicContact CG-CE1 4.42Å; Y773-F777 HydrophobicContact CD1-CB 4.44Å; Y773-F777 AromaticContact CD1-CD2 3.69Å; Y773-F777 HydrophobicContact CD1-CD2 3.69Å; Y773-F777 AromaticContact CD1-CE2 4Å; Y773-F777 HydrophobicContact CD1-CE2 4Å; Y773-F777 HydrophobicContact CD1-CG 4.03Å; Y773-F777 HydrophobicContact CE1-CD2 4.38Å; Y773-F777 HydrophobicContact CE1-CE2 4.43Å; Y773-F777 HydrophobicContact CG-CD1 4.27Å; Y773-F777 HydrophobicContact CG-CD2 4.09Å; Y773-F777 HydrophobicContact CG-CE1 4.38Å; Y773-F777 HydrophobicContact CG-CE2 4.19Å; Y773-F777 HydrophobicContact CG-CG 4.13Å; Y773-F777 HydrophobicContact CG-CZ 4.33Å; R774-F777 WeakPolarHBondContact O-CB 3.49Å; R774-F777 WeakPolarHBondContact O-CD1 3.22Å; R774-F777 PolarHBondContact O-N 3.36Å; R774-F777 VanDerWaalsContact O-N 3.13Å; F777-D782 HydrophobicContact CB-CB 4.1Å; F777-I816 HydrophobicContact CE1-CD1 4.12Å; F777-L827 HydrophobicContact CE2-CD1 3.86Å; F777-L827 HydrophobicContact CZ-CD1 3.9Å
778	R	94.9	Very high	94.5	Very high	56 Å²	56	45 Å²	45	21%	0.211	21%	0.207	C	C	.	.			trans	-99.5	-26.1	-167.1	-44.5	174.2	-54.5	147.5	15.4	112.5	E482 M485 D486 V494 L495 D782	E482-R778 IonicContact OE2-CZ 3.8Å; E482-R778 VanDerWaalsContact OE2-CZ 3.31Å; E482-R778 IonicContact OE2-NH1 3.17Å; E482-R778 PolarHBondContact OE2-NH1 2.77Å; E482-R778 IonicContact OE2-NH2 3.37Å; E482-R778 PolarHBondContact OE2-NH2 3.41Å; M485-R778 HydrophobicContact CB-CB 3.93Å; M485-R778 HydrophobicContact CB-CG 4.47Å; M485-R778 HydrophobicContact CG-CB 4.33Å; D486-R778 VanDerWaalsContact CG-NH1 3.29Å; D486-R778 WeakPolarHBondContact OD1-CD 3.32Å; D486-R778 IonicContact OD1-CZ 2.89Å; D486-R778 IonicContact OD1-NE 3.04Å; D486-R778 IonicContact OD1-NH1 2.84Å; D486-R778 PolarHBondContact OD1-NH1 2.84Å; D486-R778 IonicContact OD2-NH1 2.76Å; V494-R778 CarbonylContact C-O 3.57Å; V494-R778 WeakPolarHBondContact CA-O 3.11Å; L495-R778 PolarHBondContact N-O 3.28Å; R778-D782 WeakPolarHBondContact CA-OD2 3.19Å; R778-D782 WeakPolarHBondContact CB-OD2 3.41Å; R778-D782 PolarHBondContact N-OD2 3.22Å; R778-D782 IonicContact NE-OD2 3.94Å
779	H	94.6	Very high	94.3	Very high	45 Å²	45	45.2 Å²	45.2	21%	0.208	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-149.2	157.2	-176.5	175.6	-100.7	0	0	0	112.3	M485 K781 D782	M485-H779 HydrophobicContact SD-CB 4.28Å; H779-K781 PolarHBondContact ND1-N 3Å; H779-K781 PolarHBondContact O-N 2.85Å; H779-D782 PolarHBondContact N-OD2 3.03Å; H779-D782 WeakPolarHBondContact O-CB 3.39Å; H779-D782 VanDerWaalsContact O-CG 3.32Å; H779-D782 PolarHBondContact O-N 3.38Å
780	C	93.7	Very high	93.6	Very high	16 Å²	16	48.6 Å²	48.6	11%	0.108	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	5.6	-175	66.7	0	0	0	0	116.2	Y773 Y820 L827	Y773-C780 PolarHBondContact OH-O 2.92Å; C780-Y820 HydrophobicContact CB-CD2 4.12Å; C780-Y820 HydrophobicContact CB-CE2 4.15Å; C780-L827 HydrophobicContact CB-CG 4.4Å
781	K	92.6	Very high	92.4	Very high	128 Å²	128	52.5 Å²	52.5	56%	0.557	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.8	2.9	174.6	-61.3	177.1	-168.4	160	0	112.8	H779 Y783	H779-K781 PolarHBondContact ND1-N 3Å; H779-K781 PolarHBondContact O-N 2.85Å; K781-Y783 PolarHBondContact O-N 3.49Å; K781-Y783 VanDerWaalsContact O-N 3.09Å
782	D	94.1	Very high	91	Very high	53 Å²	53	58.6 Å²	58.6	28%	0.283	27%	0.271	S	S	.	.			trans	-83.4	30.6	179.1	-58.1	2.4	0	0	0	111.2	F777 R778 H779	F777-D782 HydrophobicContact CB-CB 4.1Å; R778-D782 WeakPolarHBondContact CA-OD2 3.19Å; R778-D782 WeakPolarHBondContact CB-OD2 3.41Å; R778-D782 PolarHBondContact N-OD2 3.22Å; R778-D782 IonicContact NE-OD2 3.94Å; H779-D782 PolarHBondContact N-OD2 3.03Å; H779-D782 WeakPolarHBondContact O-CB 3.39Å; H779-D782 VanDerWaalsContact O-CG 3.32Å; H779-D782 PolarHBondContact O-N 3.38Å
783	Y	94.3	Very high	89.7	Confident	74 Å²	74	64.5 Å²	64.5	29%	0.29	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	141.9	176	50.6	-108.4	0	0	0	110.2	W769 L772 Y773 K781 Y786	W769-Y783 HydrophobicContact CZ2-CE1 4.4Å; W769-Y783 AromaticContact NE1-CD1 3.93Å; W769-Y783 AromaticContact NE1-CE1 3.81Å; L772-Y783 CarbonylContact O-C 3.58Å; L772-Y783 VanDerWaalsContact O-CA 3.29Å; L772-Y783 WeakPolarHBondContact O-CA 3.39Å; L772-Y783 WeakPolarHBondContact O-CB 3.09Å; Y773-Y783 HydrophobicContact CE1-CD1 4.12Å; Y773-Y783 HydrophobicContact CE1-CG 4.38Å; K781-Y783 PolarHBondContact O-N 3.49Å; K781-Y783 VanDerWaalsContact O-N 3.09Å; Y783-Y786 AromaticContact CD2-CD1 3.93Å; Y783-Y786 HydrophobicContact CD2-CD1 3.93Å; Y783-Y786 HydrophobicContact CD2-CG 4.37Å; Y783-Y786 AromaticContact CE2-CD1 3.36Å; Y783-Y786 HydrophobicContact CE2-CD1 3.36Å; Y783-Y786 HydrophobicContact CE2-CE1 4.01Å; Y783-Y786 HydrophobicContact CE2-CG 4Å; Y783-Y786 AromaticContact CZ-CD1 3.8Å
784	V	93.7	Very high	88.7	Confident	75 Å²	75	68.5 Å²	68.5	46%	0.455	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-28.9	169.6	-61.3	0	0	0	0	111.4	L772 P809 F815	L772-V784 HydrophobicContact CB-CG2 4.3Å; L772-V784 HydrophobicContact CD2-CG2 4.07Å; L772-V784 HydrophobicContact CG-CG2 4.04Å; L772-V784 WeakPolarHBondContact O-CG2 3.34Å; L772-V784 PolarHBondContact O-N 3.06Å; V784-P809 HydrophobicContact CG2-CB 4.31Å; V784-P809 HydrophobicContact CG2-CG 4.31Å; V784-F815 HydrophobicContact CG1-CE1 4.17Å; V784-F815 HydrophobicContact CG2-CD1 4.08Å; V784-F815 HydrophobicContact CG2-CE1 3.77Å
785	A	93.5	Very high	87.6	Confident	6 Å²	6	66.7 Å²	66.7	5%	0.05	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	155.2	179.3	0	0	0	0	0	109.9	G771 L772 F803 S807	G771-A785 WeakPolarHBondContact CA-O 3.46Å; L772-A785 HydrophobicContact CB-CB 4.28Å; L772-A785 PolarHBondContact N-O 2.86Å; A785-F803 HydrophobicContact CB-CD1 3.86Å; A785-F803 HydrophobicContact CB-CE1 3.85Å; A785-S807 VanDerWaalsContact CB-O 3.26Å; A785-S807 WeakPolarHBondContact CB-O 3.29Å
786	Y	95.3	Very high	86.8	Confident	96 Å²	96	66.2 Å²	66.2	38%	0.376	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	156.5	172.3	78.7	-76.3	0	0	0	111.8	W769 I770 Y783 W788	W769-Y786 HydrophobicContact CB-CD2 4.07Å; W769-Y786 HydrophobicContact CG-CD2 4.29Å; I770-Y786 WeakPolarHBondContact O-CA 3.31Å; Y783-Y786 AromaticContact CD2-CD1 3.93Å; Y783-Y786 HydrophobicContact CD2-CD1 3.93Å; Y783-Y786 HydrophobicContact CD2-CG 4.37Å; Y783-Y786 AromaticContact CE2-CD1 3.36Å; Y783-Y786 HydrophobicContact CE2-CD1 3.36Å; Y783-Y786 HydrophobicContact CE2-CE1 4.01Å; Y783-Y786 HydrophobicContact CE2-CG 4Å; Y783-Y786 AromaticContact CZ-CD1 3.8Å; Y786-W788 HydrophobicContact CE2-CD2 4.32Å; Y786-W788 AromaticContact CE2-CE2 3.82Å; Y786-W788 HydrophobicContact CE2-CH2 4.43Å; Y786-W788 AromaticContact CE2-CZ2 3.89Å; Y786-W788 HydrophobicContact CE2-CZ2 3.89Å
787	V	94.9	Very high	86.2	Confident	24 Å²	24	68.8 Å²	68.8	15%	0.145	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141.6	171.4	-65.1	0	0	0	0	109.7	W769 I770 V801 F803	W769-V787 CarbonylContact C-O 3.48Å; W769-V787 WeakPolarHBondContact CA-O 3.23Å; W769-V787 WeakPolarHBondContact CB-O 3.38Å; I770-V787 HydrophobicContact CB-CG2 4.18Å; I770-V787 PolarHBondContact N-O 2.73Å; I770-V787 PolarHBondContact O-N 3.48Å; V787-V801 HydrophobicContact CG2-CB 3.91Å; V787-V801 HydrophobicContact CG2-CG1 4.46Å; V787-V801 HydrophobicContact CG2-CG2 3.63Å; V787-F803 HydrophobicContact CG1-CD1 3.95Å; V787-F803 HydrophobicContact CG1-CD2 4.3Å; V787-F803 HydrophobicContact CG1-CE1 4.14Å; V787-F803 HydrophobicContact CG1-CE2 4.46Å; V787-F803 HydrophobicContact CG1-CG 4.03Å; V787-F803 HydrophobicContact CG1-CZ 4.39Å; V787-F803 HydrophobicContact CG2-CD2 4.28Å; V787-F803 HydrophobicContact CG2-CE1 4.41Å; V787-F803 HydrophobicContact CG2-CE2 3.8Å; V787-F803 HydrophobicContact CG2-CZ 3.88Å
788	W	94.8	Very high	85.8	Confident	118 Å²	118	68.8 Å²	68.8	45%	0.447	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	139.1	173.7	-62.6	107	0	0	0	110.4	W767 W769 Y786 K790	W767-W788 AromaticContact CE3-CH2 3.95Å; W767-W788 HydrophobicContact CE3-CH2 3.95Å; W767-W788 HydrophobicContact CE3-CZ3 4.16Å; W767-W788 HydrophobicContact CZ3-CH2 4.39Å; W769-W788 HydrophobicContact CB-CE3 4.18Å; W769-W788 HydrophobicContact CB-CZ3 4.49Å; W769-W788 AromaticContact CE3-CZ3 4Å; W769-W788 HydrophobicContact CE3-CZ3 4Å; Y786-W788 HydrophobicContact CE2-CD2 4.32Å; Y786-W788 AromaticContact CE2-CE2 3.82Å; Y786-W788 HydrophobicContact CE2-CH2 4.43Å; Y786-W788 AromaticContact CE2-CZ2 3.89Å; Y786-W788 HydrophobicContact CE2-CZ2 3.89Å; W788-K790 PolarHBondContact O-N 3.26Å
789	A	91.8	Very high	85.5	Confident	5 Å²	5	67.2 Å²	67.2	4%	0.041	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-69.5	122.8	178.6	0	0	0	0	0	110.3	D768 Y819	D768-A789 HydrophobicContact CB-CB 3.96Å; D768-A789 PolarHBondContact O-N 3.14Å; A789-Y819 HydrophobicContact CB-CD2 4.48Å; A789-Y819 HydrophobicContact CB-CE2 3.58Å
790	K	81.3	Confident	85.3	Confident	98 Å²	98	68.1 Å²	68.1	43%	0.426	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-69.7	139.7	175.8	-85.2	-165.7	172.5	-144.4	0	111.7	Y756 R764 W788 E792 V801	Y756-K790 PolarHBondContact OH-N 3.35Å; Y756-K790 PolarHBondContact OH-O 2.87Å; R764-K790 PolarHBondContact NH2-O 3.39Å; W788-K790 PolarHBondContact O-N 3.26Å; K790-E792 IonicContact NZ-OE2 2.83Å; K790-E792 PolarHBondContact NZ-OE2 3.14Å; K790-V801 HydrophobicContact CB-CG1 4.16Å; K790-V801 HydrophobicContact CG-CG1 4.07Å
791	H	69.8	Low	85.2	Confident	81 Å²	81	67.7 Å²	67.7	38%	0.375	33%	0.332	S	S	.	.			trans	-95.8	-10.2	170.7	-63.9	-81.5	0	0	0	113.1	S765 E793	S765-H791 PolarHBondContact O-CE1 2.86Å; S765-H791 VanDerWaalsContact O-CE1 3.25Å; S765-H791 PolarHBondContact O-NE2 2.87Å; H791-E793 PolarHBondContact O-N 3.01Å
792	E	68.3	Low	85.1	Confident	128 Å²	128	65.4 Å²	65.4	60%	0.598	33%	0.329	S	S	*	.	S	Bend	trans	-71.1	120.9	173.5	-63.6	172.7	154.4	0	0	110.5	K790 Y799	K790-E792 IonicContact NZ-OE2 2.83Å; K790-E792 PolarHBondContact NZ-OE2 3.14Å; E792-Y799 VanDerWaalsContact O-CD1 3.32Å; E792-Y799 WeakPolarHBondContact O-CD1 3.4Å
793	E	68	Low	85	Confident	125 Å²	125	63.1 Å²	63.1	58%	0.584	32%	0.316	S	S	*	.			trans	-72.1	142.5	180	-156.7	176	121.2	0	0	111.6	H791 G796 Y799	H791-E793 PolarHBondContact O-N 3.01Å; E793-G796 VanDerWaalsContact CD-O 3.23Å; E793-G796 WeakPolarHBondContact CG-O 3.45Å; E793-G796 WeakPolarHBondContact OE1-CA 3.32Å; E793-G796 PolarHBondContact OE1-N 2.69Å; E793-Y799 HydrophobicContact CB-CE1 4.25Å; E793-Y799 HydrophobicContact CG-CE1 4.37Å
794	V	72.3	Confident	84.7	Confident	84 Å²	84	62.9 Å²	62.9	51%	0.509	33%	0.325	S	S	.	.	S	Bend	trans	-107.7	-44.6	175.8	-177.7	0	0	0	0	111.3	I798 Q800	V794-I798 PolarHBondContact N-O 2.64Å; V794-I798 VanDerWaalsContact N-O 3.14Å; V794-Q800 HydrophobicContact CG2-CB 3.95Å
795	D	71.5	Confident	84.4	Confident	108 Å²	108	65.5 Å²	65.5	58%	0.578	33%	0.333	S	S	*	.	B	Isolated β-bridge	trans	-162.1	95.8	178.2	179.5	26	0	0	0	109.6	I798	D795-I798 HydrophobicContact CB-CD1 4.46Å; D795-I798 PolarHBondContact N-O 3.39Å; D795-I798 VanDerWaalsContact O-CB 3.3Å; D795-I798 WeakPolarHBondContact O-CB 3.17Å; D795-I798 VanDerWaalsContact O-CG1 3.28Å; D795-I798 WeakPolarHBondContact O-CG1 3.47Å; D795-I798 PolarHBondContact O-N 2.77Å; D795-I798 VanDerWaalsContact O-N 3.15Å
796	G	76.5	Confident	84	Confident	32 Å²	32	73.9 Å²	73.9	33%	0.33	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	-139.3	-174.5	0	0	0	0	0	112	E793 I798	E793-G796 VanDerWaalsContact CD-O 3.23Å; E793-G796 WeakPolarHBondContact CG-O 3.45Å; E793-G796 WeakPolarHBondContact OE1-CA 3.32Å; E793-G796 PolarHBondContact OE1-N 2.69Å; G796-I798 PolarHBondContact O-N 3.33Å
797	N	79.3	Confident	83.5	Confident	79 Å²	79	71 Å²	71	42%	0.422	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	8.7	178.9	-66.1	-3.7	0	0	0	114.9	R757 V758 T760 Y799	R757-N797 WeakPolarHBondContact CA-O 3.48Å; V758-N797 PolarHBondContact N-O 2.99Å; T760-N797 VanDerWaalsContact CG2-ND2 3.25Å; T760-N797 WeakPolarHBondContact CG2-ND2 3.45Å; N797-Y799 WeakPolarHBondContact O-CD2 3.38Å; N797-Y799 WeakPolarHBondContact O-CE2 3.28Å
798	I	86	Confident	83.1	Confident	14 Å²	14	70.4 Å²	70.4	7%	0.072	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	126.7	178.2	-45.6	170.6	0	0	0	110.9	Y756 R757 V794 D795 G796	Y756-I798 WeakPolarHBondContact O-CA 3.43Å; R757-I798 HydrophobicContact CG-CG1 4.18Å; V794-I798 PolarHBondContact N-O 2.64Å; V794-I798 VanDerWaalsContact N-O 3.14Å; D795-I798 HydrophobicContact CB-CD1 4.46Å; D795-I798 PolarHBondContact N-O 3.39Å; D795-I798 VanDerWaalsContact O-CB 3.3Å; D795-I798 WeakPolarHBondContact O-CB 3.17Å; D795-I798 VanDerWaalsContact O-CG1 3.28Å; D795-I798 WeakPolarHBondContact O-CG1 3.47Å; D795-I798 PolarHBondContact O-N 2.77Å; D795-I798 VanDerWaalsContact O-N 3.15Å; G796-I798 PolarHBondContact O-N 3.33Å
799	Y	89.2	Confident	82.6	Confident	23 Å²	23	66 Å²	66	9%	0.09	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	160.2	176	-59.1	-88.2	0	0	0	110.1	R755 Y756 V758 R764 E792 E793 N797	R755-Y799 CarbonylContact C-O 3.58Å; R755-Y799 WeakPolarHBondContact CA-O 3.36Å; Y756-Y799 HydrophobicContact CD2-CD2 4.27Å; Y756-Y799 HydrophobicContact CD2-CG 4.44Å; Y756-Y799 VanDerWaalsContact CE2-CB 3.44Å; Y756-Y799 AromaticContact CE2-CD2 3.99Å; Y756-Y799 HydrophobicContact CE2-CD2 3.99Å; Y756-Y799 AromaticContact CE2-CG 3.86Å; Y756-Y799 HydrophobicContact CE2-CG 3.86Å; Y756-Y799 PolarHBondContact N-O 2.89Å; Y756-Y799 PolarHBondContact O-N 2.91Å; V758-Y799 HydrophobicContact CB-CD2 4.39Å; V758-Y799 HydrophobicContact CB-CE2 4Å; V758-Y799 HydrophobicContact CG2-CD2 3.63Å; V758-Y799 HydrophobicContact CG2-CE2 3.65Å; R764-Y799 PolarHBondContact NH1-OH 3.47Å; E792-Y799 VanDerWaalsContact O-CD1 3.32Å; E792-Y799 WeakPolarHBondContact O-CD1 3.4Å; E793-Y799 HydrophobicContact CB-CE1 4.25Å; E793-Y799 HydrophobicContact CG-CE1 4.37Å; N797-Y799 WeakPolarHBondContact O-CD2 3.38Å; N797-Y799 WeakPolarHBondContact O-CE2 3.28Å
800	Q	90.9	Very high	81.9	Confident	63 Å²	63	74.6 Å²	74.6	29%	0.294	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	135.3	-179.4	-167.4	171.9	-66.9	0	0	112	V753 V754 R755 V794	V753-Q800 HydrophobicContact CG1-CG 3.42Å; V753-Q800 VanDerWaalsContact CG1-CG 3.42Å; V754-Q800 WeakPolarHBondContact O-CA 3.33Å; R755-Q800 HydrophobicContact CG-CB 4.48Å; R755-Q800 HydrophobicContact CG-CG 4.03Å; V794-Q800 HydrophobicContact CG2-CB 3.95Å
801	V	91.4	Very high	81.4	Confident	8 Å²	8	71.3 Å²	71.3	5%	0.048	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	163.9	170.4	-67.7	0	0	0	0	110.2	V753 V754 Y756 I770 V787 K790	V753-V801 WeakPolarHBondContact CA-O 3.3Å; V754-V801 HydrophobicContact CB-CG2 3.92Å; V754-V801 PolarHBondContact N-O 2.92Å; V754-V801 PolarHBondContact O-N 3.45Å; Y756-V801 HydrophobicContact CE1-CG1 4.09Å; Y756-V801 HydrophobicContact CE1-CG2 4.2Å; I770-V801 HydrophobicContact CD1-CG2 3.8Å; V787-V801 HydrophobicContact CG2-CB 3.91Å; V787-V801 HydrophobicContact CG2-CG1 4.46Å; V787-V801 HydrophobicContact CG2-CG2 3.63Å; K790-V801 HydrophobicContact CB-CG1 4.16Å; K790-V801 HydrophobicContact CG-CG1 4.07Å
802	T	90.8	Very high	81.6	Confident	79 Å²	79	74.5 Å²	74.5	49%	0.485	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	131.5	-179.2	-52	0	0	0	0	108.7	A752 V753	A752-T802 WeakPolarHBondContact O-CA 3.36Å; V753-T802 HydrophobicContact CG2-CG2 4.12Å
803	F	91.2	Very high	82.4	Confident	5 Å²	5	69 Å²	69	2%	0.022	37%	0.37	C	S	.	.			trans	-79.9	142.1	172.5	-74.8	-104.6	0	0	0	109.4	W746 A752 V754 I770 L772 A785 V787 L808 L817	W746-F803 AromaticContact CH2-CD2 3.9Å; W746-F803 HydrophobicContact CH2-CD2 3.9Å; W746-F803 HydrophobicContact CH2-CE2 4.29Å; W746-F803 HydrophobicContact CZ3-CD2 4.47Å; A752-F803 HydrophobicContact CB-CB 4.29Å; A752-F803 PolarHBondContact O-N 3.14Å; V754-F803 HydrophobicContact CG2-CD2 4.21Å; V754-F803 HydrophobicContact CG2-CE2 3.83Å; I770-F803 HydrophobicContact CG2-CE2 4.37Å; I770-F803 HydrophobicContact CG2-CZ 4.29Å; L772-F803 HydrophobicContact CB-CE1 3.92Å; L772-F803 HydrophobicContact CB-CZ 4.12Å; A785-F803 HydrophobicContact CB-CD1 3.86Å; A785-F803 HydrophobicContact CB-CE1 3.85Å; V787-F803 HydrophobicContact CG1-CD1 3.95Å; V787-F803 HydrophobicContact CG1-CD2 4.3Å; V787-F803 HydrophobicContact CG1-CE1 4.14Å; V787-F803 HydrophobicContact CG1-CE2 4.46Å; V787-F803 HydrophobicContact CG1-CG 4.03Å; V787-F803 HydrophobicContact CG1-CZ 4.39Å; V787-F803 HydrophobicContact CG2-CD2 4.28Å; V787-F803 HydrophobicContact CG2-CE1 4.41Å; V787-F803 HydrophobicContact CG2-CE2 3.8Å; V787-F803 HydrophobicContact CG2-CZ 3.88Å; F803-L808 HydrophobicContact CB-CD2 3.78Å; F803-L808 HydrophobicContact CG-CD2 4.42Å; F803-L817 HydrophobicContact CE2-CD2 3.73Å; F803-L817 HydrophobicContact CZ-CD2 3.79Å
804	S	88.7	Confident	83.4	Confident	69 Å²	69	66.6 Å²	66.6	48%	0.483	36%	0.362	S	S	.	.			trans	-75.5	145	173	59.4	0	0	0	0	110.3	E806 S807 L808	S804-E806 PolarHBondContact O-N 2.75Å; S804-S807 PolarHBondContact N-OG 3.42Å; S804-S807 WeakPolarHBondContact O-CA 3.02Å; S804-S807 WeakPolarHBondContact O-CB 3.35Å; S804-S807 PolarHBondContact O-N 2.96Å; S804-S807 PolarHBondContact O-OG 2.91Å; S804-S807 PolarHBondContact OG-OG 3.24Å; S804-L808 PolarHBondContact O-N 3.01Å
805	E	86	Confident	84.4	Confident	131 Å²	131	63 Å²	63	61%	0.612	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-52.2	-40.7	177.3	-174	-177.6	170.5	0	0	112.3	P749 S807 L808	P749-E805 HydrophobicContact CB-CB 4.04Å; P749-E805 HydrophobicContact CB-CG 3.97Å; P749-E805 HydrophobicContact CG-CB 4.42Å; P749-E805 HydrophobicContact CG-CG 3.79Å; E805-S807 PolarHBondContact O-N 3.06Å; E805-L808 PolarHBondContact O-N 3.34Å; E805-L808 VanDerWaalsContact O-N 3.14Å
806	E	85.6	Confident	85.5	Confident	181 Å²	181	57.9 Å²	57.9	85%	0.846	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-59.3	-27.5	176.4	-62	-179.4	-176.8	0	0	114	S804	S804-E806 PolarHBondContact O-N 2.75Å
807	S	85.7	Confident	86.4	Confident	36 Å²	36	56.3 Å²	56.3	25%	0.252	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-87.2	-15.9	179.6	73.8	0	0	0	0	113.6	A785 S804 E805	A785-S807 VanDerWaalsContact CB-O 3.26Å; A785-S807 WeakPolarHBondContact CB-O 3.29Å; S804-S807 PolarHBondContact N-OG 3.42Å; S804-S807 WeakPolarHBondContact O-CA 3.02Å; S804-S807 WeakPolarHBondContact O-CB 3.35Å; S804-S807 PolarHBondContact O-N 2.96Å; S804-S807 PolarHBondContact O-OG 2.91Å; S804-S807 PolarHBondContact OG-OG 3.24Å; E805-S807 PolarHBondContact O-N 3.06Å
808	L	86.1	Confident	87.2	Confident	11 Å²	11	52.6 Å²	52.6	6%	0.058	28%	0.276	C	S	.	.	S	Bend	trans	-72	142.2	-175.1	-64.4	177.8	0	0	0	111.6	W746 A752 F803 S804 E805 L837	W746-L808 HydrophobicContact CE3-CD2 4.07Å; W746-L808 HydrophobicContact CZ3-CD2 3.7Å; A752-L808 HydrophobicContact CB-CD1 3.82Å; A752-L808 HydrophobicContact CB-CD2 4.15Å; F803-L808 HydrophobicContact CB-CD2 3.78Å; F803-L808 HydrophobicContact CG-CD2 4.42Å; S804-L808 PolarHBondContact O-N 3.01Å; E805-L808 PolarHBondContact O-N 3.34Å; E805-L808 VanDerWaalsContact O-N 3.14Å; L808-L837 HydrophobicContact CD1-CD1 3.84Å
809	P	84.1	Confident	87.7	Confident	25 Å²	25	51.9 Å²	51.9	16%	0.162	27%	0.272	C	S	.	.			trans	-61.5	138.5	176.7	27	-34.9	0	0	0	110.5	L772 V784 F815 P836	L772-P809 HydrophobicContact CD2-CG 4.09Å; V784-P809 HydrophobicContact CG2-CB 4.31Å; V784-P809 HydrophobicContact CG2-CG 4.31Å; P809-F815 HydrophobicContact CB-CE1 3.89Å; P809-F815 HydrophobicContact CB-CE2 4.41Å; P809-F815 HydrophobicContact CB-CZ 3.6Å; P809-F815 HydrophobicContact CG-CD1 4.32Å; P809-F815 HydrophobicContact CG-CE1 3.75Å; P809-F815 HydrophobicContact CG-CE2 4.06Å; P809-F815 HydrophobicContact CG-CZ 3.59Å; P809-P836 HydrophobicContact CG-CG 3.98Å
810	K	77.6	Confident	88	Confident	186 Å²	186	51.8 Å²	51.8	81%	0.809	27%	0.272	S	S	*	.			trans	-101.6	98.9	-179.7	-64.7	-177.8	-178.3	-179.8	0	109.9
811	G	70.4	Confident	88.2	Confident	30 Å²	30	48.8 Å²	48.8	31%	0.309	26%	0.258	S	S	.	.	S	Bend	trans	127.3	168.1	177.5	0	0	0	0	0	113.2
812	H	74.4	Confident	88.2	Confident	147 Å²	147	52.5 Å²	52.5	68%	0.681	27%	0.274	S	S	*	.			trans	-67.7	144.1	-173.9	-60	-88.7	0	0	0	113.8	T838	H812-T838 VanDerWaalsContact CE1-CG2 3.43Å; H812-T838 WeakPolarHBondContact CE1-CG2 3.42Å
813	G	84.4	Confident	88.1	Confident	13 Å²	13	53.7 Å²	53.7	13%	0.134	28%	0.275	C	S	.	.			trans	169.5	164.6	167	0	0	0	0	0	110.9	F815	G813-F815 VanDerWaalsContact O-CD2 3.23Å; G813-F815 WeakPolarHBondContact O-CD2 3.47Å; G813-F815 WeakPolarHBondContact O-CE2 3.21Å
814	D	89.3	Confident	87.9	Confident	75 Å²	75	54.9 Å²	54.9	40%	0.401	28%	0.28	S	S	.	.			trans	-89.8	137.2	171.3	-49.5	-53.7	0	0	0	109.5	V775 P833 Q835	V775-D814 HydrophobicContact CB-CB 4.31Å; V775-D814 HydrophobicContact CG2-CB 3.7Å; V775-D814 WeakPolarHBondContact CG2-O 3.49Å; V775-D814 PolarHBondContact N-O 3.07Å; D814-P833 HydrophobicContact CB-CB 4.28Å; D814-Q835 WeakPolarHBondContact OD1-CG 3.15Å; D814-Q835 PolarHBondContact OD1-NE2 3.11Å
815	F	92.4	Very high	88	Confident	8 Å²	8	54.8 Å²	54.8	4%	0.035	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	156.2	-176.3	-67.3	-102.3	0	0	0	111.3	L772 Y773 R774 V784 P809 G813 P833 F834 P836	L772-F815 HydrophobicContact CD1-CB 3.79Å; L772-F815 HydrophobicContact CD1-CD1 4.47Å; L772-F815 HydrophobicContact CD1-CG 4.44Å; L772-F815 HydrophobicContact CG-CB 4.37Å; L772-F815 HydrophobicContact CG-CD1 4.13Å; Y773-F815 CarbonylContact O-C 3.56Å; Y773-F815 WeakPolarHBondContact O-CA 3.48Å; Y773-F815 VanDerWaalsContact O-CB 3.31Å; Y773-F815 WeakPolarHBondContact O-CB 3.13Å; Y773-F815 WeakPolarHBondContact O-CD1 3.4Å; R774-F815 HydrophobicContact CB-CD1 4.11Å; R774-F815 HydrophobicContact CB-CE1 3.9Å; R774-F815 HydrophobicContact CG-CD1 4.49Å; R774-F815 HydrophobicContact CG-CE1 4.11Å; R774-F815 HydrophobicContact CG-CZ 4.3Å; V784-F815 HydrophobicContact CG1-CE1 4.17Å; V784-F815 HydrophobicContact CG2-CD1 4.08Å; V784-F815 HydrophobicContact CG2-CE1 3.77Å; P809-F815 HydrophobicContact CB-CE1 3.89Å; P809-F815 HydrophobicContact CB-CE2 4.41Å; P809-F815 HydrophobicContact CB-CZ 3.6Å; P809-F815 HydrophobicContact CG-CD1 4.32Å; P809-F815 HydrophobicContact CG-CE1 3.75Å; P809-F815 HydrophobicContact CG-CE2 4.06Å; P809-F815 HydrophobicContact CG-CZ 3.59Å; G813-F815 VanDerWaalsContact O-CD2 3.23Å; G813-F815 WeakPolarHBondContact O-CD2 3.47Å; G813-F815 WeakPolarHBondContact O-CE2 3.21Å; F815-P833 CarbonylContact O-C 3.59Å; F815-P833 WeakPolarHBondContact O-CA 3.27Å; F815-F834 PolarHBondContact N-O 3.07Å; F815-F834 WeakPolarHBondContact O-CD1 3.44Å; F815-F834 PolarHBondContact O-N 3.38Å; F815-P836 HydrophobicContact CB-CG 4.07Å; F815-P836 HydrophobicContact CD2-CG 3.37Å; F815-P836 HydrophobicContact CE2-CG 3.88Å; F815-P836 HydrophobicContact CG-CG 3.78Å
816	I	94.5	Very high	88.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.1	179.2	-67.3	159.1	0	0	0	107.5	Y512 Y773 V775 F777 V830 P833	Y512-I816 HydrophobicContact CD1-CD1 3.91Å; Y512-I816 HydrophobicContact CD2-CD1 3.81Å; Y512-I816 HydrophobicContact CD2-CG2 4.37Å; Y512-I816 HydrophobicContact CE1-CD1 3.78Å; Y512-I816 HydrophobicContact CE2-CD1 3.7Å; Y512-I816 HydrophobicContact CE2-CG1 4.35Å; Y512-I816 HydrophobicContact CG-CD1 3.96Å; Y773-I816 PolarHBondContact N-O 2.91Å; Y773-I816 PolarHBondContact O-N 2.87Å; V775-I816 HydrophobicContact CG2-CD1 3.89Å; V775-I816 HydrophobicContact CG2-CG1 4.05Å; F777-I816 HydrophobicContact CE1-CD1 4.12Å; I816-V830 HydrophobicContact CG2-CB 4.23Å; I816-P833 HydrophobicContact CD1-CG 4.46Å; I816-P833 HydrophobicContact CG1-CG 4.23Å
817	L	95.7	Very high	88.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	141.3	166.7	-74.9	157.8	0	0	0	109.5	L740 V742 W746 V754 I770 G771 L772 F803 V830 T831 F834	L740-L817 HydrophobicContact CD1-CB 4.21Å; L740-L817 WeakPolarHBondContact CD1-O 3.22Å; V742-L817 HydrophobicContact CB-CD1 3.98Å; V742-L817 HydrophobicContact CG2-CD1 3.72Å; W746-L817 HydrophobicContact CH2-CD1 4.33Å; W746-L817 HydrophobicContact CH2-CD2 4.45Å; W746-L817 HydrophobicContact CZ2-CD1 4.09Å; V754-L817 HydrophobicContact CB-CD1 4.46Å; V754-L817 HydrophobicContact CG1-CD1 4.15Å; V754-L817 HydrophobicContact CG2-CD1 3.46Å; V754-L817 VanDerWaalsContact CG2-CD1 3.46Å; V754-L817 HydrophobicContact CG2-CD2 3.9Å; V754-L817 HydrophobicContact CG2-CG 4.32Å; I770-L817 HydrophobicContact CG2-CD2 3.84Å; G771-L817 WeakPolarHBondContact O-CA 3.37Å; L772-L817 HydrophobicContact CB-CD2 4.21Å; L772-L817 HydrophobicContact CD1-CD2 3.88Å; L772-L817 HydrophobicContact CD1-CG 4.04Å; F803-L817 HydrophobicContact CE2-CD2 3.73Å; F803-L817 HydrophobicContact CZ-CD2 3.79Å; L817-V830 CarbonylContact O-C 3.5Å; L817-V830 VanDerWaalsContact O-CA 3.24Å; L817-V830 WeakPolarHBondContact O-CA 3.46Å; L817-T831 HydrophobicContact CB-CG2 3.84Å; L817-T831 HydrophobicContact CD1-CG2 4.35Å; L817-T831 PolarHBondContact N-OG1 3.23Å; L817-T831 PolarHBondContact O-N 3.18Å; L817-F834 HydrophobicContact CB-CE1 4.45Å; L817-F834 HydrophobicContact CD1-CE1 3.74Å; L817-F834 HydrophobicContact CD1-CZ 3.63Å; L817-F834 HydrophobicContact CG-CE1 3.73Å; L817-F834 HydrophobicContact CG-CZ 3.8Å
818	G	96.8	Very high	89.3	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	123.4	178.7	0	0	0	0	0	112.9	I770 G771 Y820 G829	I770-G818 WeakPolarHBondContact CA-O 3.43Å; G771-G818 PolarHBondContact N-O 2.86Å; G771-G818 PolarHBondContact O-N 2.89Å; G818-Y820 PolarHBondContact O-N 3.28Å; G818-G829 CarbonylContact C-O 3.59Å; G818-G829 WeakPolarHBondContact CA-O 3.24Å
819	Y	96.7	Very high	89.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	109.5	173.6	-171.8	-70.5	0	0	0	109.1	V738 Y756 D768 W769 I770 A789 L827 I828 G829	V738-Y819 HydrophobicContact CB-CD1 4.44Å; V738-Y819 HydrophobicContact CB-CD2 4.38Å; V738-Y819 HydrophobicContact CB-CG 4.11Å; V738-Y819 HydrophobicContact CG1-CD2 3.75Å; V738-Y819 HydrophobicContact CG1-CE2 4.4Å; V738-Y819 HydrophobicContact CG1-CG 3.89Å; V738-Y819 HydrophobicContact CG2-CD1 3.89Å; V738-Y819 HydrophobicContact CG2-CD2 4.15Å; V738-Y819 HydrophobicContact CG2-CE1 4.07Å; V738-Y819 HydrophobicContact CG2-CE2 4.28Å; V738-Y819 HydrophobicContact CG2-CG 3.96Å; Y756-Y819 HydrophobicContact CD2-CD2 4.24Å; Y756-Y819 HydrophobicContact CD2-CE2 4.04Å; Y756-Y819 HydrophobicContact CE2-CD2 4.31Å; Y756-Y819 AromaticContact CE2-CE2 3.72Å; Y756-Y819 HydrophobicContact CE2-CE2 3.72Å; D768-Y819 HydrophobicContact CB-CE1 3.76Å; D768-Y819 WeakPolarHBondContact CB-OH 3.35Å; D768-Y819 PolarHBondContact OD2-OH 3.37Å; W769-Y819 CarbonylContact O-C 3.56Å; W769-Y819 WeakPolarHBondContact O-CA 3.44Å; I770-Y819 HydrophobicContact CD1-CD2 3.96Å; I770-Y819 HydrophobicContact CG1-CD2 3.62Å; I770-Y819 HydrophobicContact CG1-CE2 4.42Å; I770-Y819 HydrophobicContact CG1-CG 4.23Å; A789-Y819 HydrophobicContact CB-CD2 4.48Å; A789-Y819 HydrophobicContact CB-CE2 3.58Å; Y819-L827 CarbonylContact O-C 3.48Å; Y819-L827 VanDerWaalsContact O-CA 3.29Å; Y819-L827 WeakPolarHBondContact O-CA 3.34Å; Y819-I828 HydrophobicContact CD1-CD1 4.01Å; Y819-I828 HydrophobicContact CD1-CG1 3.72Å; Y819-I828 HydrophobicContact CE1-CD1 4.08Å; Y819-I828 HydrophobicContact CE1-CG1 4.29Å; Y819-I828 PolarHBondContact O-N 3.29Å; Y819-G829 PolarHBondContact N-O 3.02Å
820	Y	96.3	Very high	90.2	Very high	21 Å²	21	38.2 Å²	38.2	8%	0.082	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.6	171	-173.5	-86.9	0	0	0	110.3	D768 W769 C780 G818 S825 L827	D768-Y820 WeakPolarHBondContact CA-O 3.27Å; D768-Y820 WeakPolarHBondContact CB-O 3.35Å; W769-Y820 AromaticContact CD2-CD1 4Å; W769-Y820 HydrophobicContact CD2-CD1 4Å; W769-Y820 HydrophobicContact CD2-CG 4.14Å; W769-Y820 AromaticContact CE2-CD1 3.87Å; W769-Y820 AromaticContact CE2-CG 3.66Å; W769-Y820 AromaticContact CE3-CD1 3.73Å; W769-Y820 HydrophobicContact CE3-CD1 3.73Å; W769-Y820 HydrophobicContact CE3-CE1 4.38Å; W769-Y820 HydrophobicContact CE3-CG 4.34Å; W769-Y820 AromaticContact CH2-CD1 3.22Å; W769-Y820 HydrophobicContact CH2-CD1 3.22Å; W769-Y820 HydrophobicContact CH2-CD2 4.18Å; W769-Y820 AromaticContact CH2-CE1 3.27Å; W769-Y820 HydrophobicContact CH2-CE1 3.27Å; W769-Y820 HydrophobicContact CH2-CE2 4.22Å; W769-Y820 AromaticContact CH2-CG 3.7Å; W769-Y820 HydrophobicContact CH2-CG 3.7Å; W769-Y820 AromaticContact CH2-CZ 3.77Å; W769-Y820 AromaticContact CZ2-CD1 3.51Å; W769-Y820 HydrophobicContact CZ2-CD1 3.51Å; W769-Y820 AromaticContact CZ2-CD2 3.82Å; W769-Y820 HydrophobicContact CZ2-CD2 3.82Å; W769-Y820 AromaticContact CZ2-CE1 3.92Å; W769-Y820 HydrophobicContact CZ2-CE1 3.92Å; W769-Y820 HydrophobicContact CZ2-CE2 4.19Å; W769-Y820 AromaticContact CZ2-CG 3.44Å; W769-Y820 HydrophobicContact CZ2-CG 3.44Å; W769-Y820 VanDerWaalsContact CZ2-CG 3.44Å; W769-Y820 AromaticContact CZ3-CD1 3.34Å; W769-Y820 HydrophobicContact CZ3-CD1 3.34Å; W769-Y820 AromaticContact CZ3-CE1 3.55Å; W769-Y820 HydrophobicContact CZ3-CE1 3.55Å; W769-Y820 HydrophobicContact CZ3-CG 4.14Å; W769-Y820 PolarHBondContact N-O 3.16Å; W769-Y820 VanDerWaalsContact N-O 3.13Å; W769-Y820 PolarHBondContact O-N 2.82Å; C780-Y820 HydrophobicContact CB-CD2 4.12Å; C780-Y820 HydrophobicContact CB-CE2 4.15Å; G818-Y820 PolarHBondContact O-N 3.28Å; Y820-S825 VanDerWaalsContact OH-CA 3.3Å; Y820-S825 WeakPolarHBondContact OH-CA 3.42Å; Y820-L827 HydrophobicContact CD2-CD2 4.19Å
821	S	93.9	Very high	91.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.8	168.2	178.9	0	0	0	0	111.3	D768 H823 S825 I826	D768-S821 VanDerWaalsContact OD1-CA 3.3Å; D768-S821 WeakPolarHBondContact OD1-CA 3.47Å; D768-S821 PolarHBondContact OD1-OG 3.43Å; S821-H823 PolarHBondContact OG-N 2.89Å; S821-S825 VanDerWaalsContact O-CA 3.29Å; S821-S825 WeakPolarHBondContact O-CA 3.15Å; S821-S825 PolarHBondContact O-N 3.18Å; S821-I826 PolarHBondContact N-O 3.34Å
822	H	91.3	Very high	92	Very high	85 Å²	85	34.8 Å²	34.8	39%	0.394	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-42.7	174.1	-173	82.3	0	0	0	112	W767 D768 S825	W767-H822 HydrophobicContact CB-CB 3.79Å; D768-H822 PolarHBondContact OD1-N 3.36Å; H822-S825 PolarHBondContact O-N 3.24Å; H822-S825 PolarHBondContact O-OG 2.7Å; H822-S825 VanDerWaalsContact O-OG 3.1Å
823	H	88.3	Confident	92.8	Very high	105 Å²	105	30.5 Å²	30.5	49%	0.486	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-38.6	-176.6	-66.6	131.2	0	0	0	113	A763 R764 S821	A763-H823 PolarHBondContact O-ND1 2.73Å; R764-H823 PolarHBondContact O-CE1 3.2Å; R764-H823 VanDerWaalsContact O-CE1 3.24Å; S821-H823 PolarHBondContact OG-N 2.89Å
824	H	87.3	Confident	93	Very high	30 Å²	30	30.5 Å²	30.5	14%	0.139	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-11.7	175.9	-59.7	-75.7	0	0	0	113.4	D520 F762 I826 I828	D520-H824 IonicContact OD1-CE1 3.93Å; D520-H824 IonicContact OD1-ND1 2.69Å; F762-H824 AromaticContact CD2-NE2 3.94Å; H824-I826 HydrophobicContact CB-CG2 3.94Å; H824-I826 PolarHBondContact O-N 3.28Å; H824-I828 HydrophobicContact CB-CG2 4.06Å
825	S	90.8	Very high	92.5	Very high	67 Å²	67	31 Å²	31	47%	0.469	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	36.1	-178.3	-70.6	0	0	0	0	115	Y820 S821 H822	Y820-S825 VanDerWaalsContact OH-CA 3.3Å; Y820-S825 WeakPolarHBondContact OH-CA 3.42Å; S821-S825 VanDerWaalsContact O-CA 3.29Å; S821-S825 WeakPolarHBondContact O-CA 3.15Å; S821-S825 PolarHBondContact O-N 3.18Å; H822-S825 PolarHBondContact O-N 3.24Å; H822-S825 PolarHBondContact O-OG 2.7Å; H822-S825 VanDerWaalsContact O-OG 3.1Å
826	I	94	Very high	91.4	Very high	7 Å²	7	30.9 Å²	30.9	4%	0.036	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	163.1	-177.6	-163.3	179.4	0	0	0	110.3	V496 L515 L518 V521 S821 H824 I828	V496-I826 HydrophobicContact CG1-CD1 3.63Å; V496-I826 HydrophobicContact CG1-CG1 4.3Å; L515-I826 HydrophobicContact CD2-CD1 4.41Å; L518-I826 HydrophobicContact CB-CD1 3.66Å; L518-I826 HydrophobicContact CD1-CD1 4.39Å; V521-I826 HydrophobicContact CG2-CD1 4.08Å; S821-I826 PolarHBondContact N-O 3.34Å; H824-I826 HydrophobicContact CB-CG2 3.94Å; H824-I826 PolarHBondContact O-N 3.28Å; I826-I828 HydrophobicContact CG2-CG2 3.56Å; I826-I828 PolarHBondContact O-N 3.45Å
827	L	95.8	Very high	89.9	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	114.3	163.5	-60	179.9	0	0	0	109.8	L515 Y773 F777 C780 Y819 Y820 V830	L515-L827 CarbonylContact C-O 3.53Å; L515-L827 HydrophobicContact CB-CB 4.32Å; L515-L827 HydrophobicContact CD1-CB 4.11Å; L515-L827 HydrophobicContact CD1-CD1 3.89Å; L515-L827 HydrophobicContact CD1-CG 4.4Å; Y773-L827 HydrophobicContact CE2-CD1 4.38Å; Y773-L827 HydrophobicContact CE2-CD2 4.26Å; F777-L827 HydrophobicContact CE2-CD1 3.86Å; F777-L827 HydrophobicContact CZ-CD1 3.9Å; C780-L827 HydrophobicContact CB-CG 4.4Å; Y819-L827 CarbonylContact O-C 3.48Å; Y819-L827 VanDerWaalsContact O-CA 3.29Å; Y819-L827 WeakPolarHBondContact O-CA 3.34Å; Y820-L827 HydrophobicContact CD2-CD2 4.19Å; L827-V830 HydrophobicContact CB-CG1 4.31Å; L827-V830 HydrophobicContact CD1-CG1 4.37Å
828	I	94.6	Very high	87.8	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	7.8	-177.9	61.2	162.7	0	0	0	113.6	L737 V738 F762 Y819 H824 I826	L737-I828 HydrophobicContact CB-CB 4.25Å; L737-I828 HydrophobicContact CB-CD1 3.97Å; L737-I828 HydrophobicContact CD1-CB 4.34Å; L737-I828 HydrophobicContact CD1-CD1 4.29Å; L737-I828 HydrophobicContact CD1-CG2 4.31Å; L737-I828 PolarHBondContact N-O 2.73Å; V738-I828 HydrophobicContact CG2-CD1 3.82Å; V738-I828 HydrophobicContact CG2-CG1 4.14Å; V738-I828 PolarHBondContact N-O 3.14Å; F762-I828 HydrophobicContact CD2-CD1 4.04Å; F762-I828 HydrophobicContact CE1-CD1 4Å; F762-I828 HydrophobicContact CE2-CD1 3.44Å; F762-I828 VanDerWaalsContact CE2-CD1 3.44Å; F762-I828 HydrophobicContact CZ-CD1 3.41Å; F762-I828 VanDerWaalsContact CZ-CD1 3.41Å; Y819-I828 HydrophobicContact CD1-CD1 4.01Å; Y819-I828 HydrophobicContact CD1-CG1 3.72Å; Y819-I828 HydrophobicContact CE1-CD1 4.08Å; Y819-I828 HydrophobicContact CE1-CG1 4.29Å; Y819-I828 PolarHBondContact O-N 3.29Å; H824-I828 HydrophobicContact CB-CG2 4.06Å; I826-I828 HydrophobicContact CG2-CG2 3.56Å; I826-I828 PolarHBondContact O-N 3.45Å
829	G	94.9	Very high	85.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	135.7	175.2	0	0	0	0	0	109.1	V738 L740 G818 Y819	V738-G829 WeakPolarHBondContact O-CA 3.25Å; L740-G829 WeakPolarHBondContact CD1-O 3.34Å; G818-G829 CarbonylContact C-O 3.59Å; G818-G829 WeakPolarHBondContact CA-O 3.24Å; Y819-G829 PolarHBondContact N-O 3.02Å
830	V	95.9	Very high	82.9	Confident	28 Å²	28	43.5 Å²	43.5	17%	0.17	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	158.2	175.7	-58.6	0	0	0	0	110	Y512 P516 I816 L817 L827	Y512-V830 HydrophobicContact CD2-CG2 4.1Å; P516-V830 HydrophobicContact CG-CG1 4.44Å; P516-V830 HydrophobicContact CG-CG2 3.84Å; I816-V830 HydrophobicContact CG2-CB 4.23Å; L817-V830 CarbonylContact O-C 3.5Å; L817-V830 VanDerWaalsContact O-CA 3.24Å; L817-V830 WeakPolarHBondContact O-CA 3.46Å; L827-V830 HydrophobicContact CB-CG1 4.31Å; L827-V830 HydrophobicContact CD1-CG1 4.37Å
831	T	94.7	Very high	80.1	Confident	12 Å²	12	46.3 Å²	46.3	7%	0.074	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-92.4	169.2	166.5	62	0	0	0	0	111.3	L740 V742 L817	L740-T831 HydrophobicContact CB-CG2 3.49Å; L740-T831 VanDerWaalsContact CB-CG2 3.49Å; L740-T831 HydrophobicContact CD1-CG2 4.28Å; L740-T831 HydrophobicContact CG-CG2 4.49Å; V742-T831 HydrophobicContact CG1-CG2 4.04Å; L817-T831 HydrophobicContact CB-CG2 3.84Å; L817-T831 HydrophobicContact CD1-CG2 4.35Å; L817-T831 PolarHBondContact N-OG1 3.23Å; L817-T831 PolarHBondContact O-N 3.18Å
832	E	90.8	Very high	77.3	Confident	131 Å²	131	52.5 Å²	52.5	61%	0.612	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-67.5	166.5	153.4	-66.1	-56.4	161.1	0	0	111.1	Y512	Y512-E832 PolarHBondContact OH-OE2 2.81Å
833	P	90.8	Very high	74.7	Confident	58 Å²	58	55.4 Å²	55.4	38%	0.377	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-63.5	138	174.2	-22.8	35.2	0	0	0	113	V775 D814 F815 I816	V775-P833 HydrophobicContact CG2-CB 3.87Å; V775-P833 HydrophobicContact CG2-CG 4.03Å; D814-P833 HydrophobicContact CB-CB 4.28Å; F815-P833 CarbonylContact O-C 3.59Å; F815-P833 WeakPolarHBondContact O-CA 3.27Å; I816-P833 HydrophobicContact CD1-CG 4.46Å; I816-P833 HydrophobicContact CG1-CG 4.23Å
834	F	87.8	Confident	72	Confident	12 Å²	12	55.8 Å²	55.8	5%	0.053	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-143	169.4	175.2	73.2	-76.3	0	0	0	110.8	V742 W746 L772 F815 L817 P836	V742-F834 HydrophobicContact CG1-CD1 4.28Å; V742-F834 HydrophobicContact CG1-CG 4.36Å; V742-F834 HydrophobicContact CG2-CD2 4.31Å; V742-F834 HydrophobicContact CG2-CE2 4.02Å; V742-F834 HydrophobicContact CG2-CZ 4.17Å; W746-F834 AromaticContact CD2-CE2 3.87Å; W746-F834 HydrophobicContact CD2-CE2 3.87Å; W746-F834 AromaticContact CE2-CE2 3.81Å; W746-F834 HydrophobicContact CE3-CE2 4.19Å; W746-F834 HydrophobicContact CG-CE2 4.35Å; W746-F834 HydrophobicContact CH2-CE2 4.41Å; W746-F834 HydrophobicContact CH2-CZ 4.29Å; W746-F834 HydrophobicContact CZ2-CE2 4.11Å; W746-F834 HydrophobicContact CZ2-CZ 4.21Å; W746-F834 HydrophobicContact CZ3-CE2 4.44Å; L772-F834 HydrophobicContact CD1-CE1 4.14Å; L772-F834 HydrophobicContact CD1-CZ 3.69Å; F815-F834 PolarHBondContact N-O 3.07Å; F815-F834 WeakPolarHBondContact O-CD1 3.44Å; F815-F834 PolarHBondContact O-N 3.38Å; L817-F834 HydrophobicContact CB-CE1 4.45Å; L817-F834 HydrophobicContact CD1-CE1 3.74Å; L817-F834 HydrophobicContact CD1-CZ 3.63Å; L817-F834 HydrophobicContact CG-CE1 3.73Å; L817-F834 HydrophobicContact CG-CZ 3.8Å; F834-P836 HydrophobicContact CE2-CB 4.26Å
835	Q	79.8	Confident	69.2	Low	86 Å²	86	64.5 Å²	64.5	40%	0.402	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117.6	-178.1	-65.7	-167	-5.3	0	0	112.5	W746 D814	W746-Q835 PolarHBondContact N-O 2.84Å; W746-Q835 VanDerWaalsContact N-O 3.12Å; D814-Q835 WeakPolarHBondContact OD1-CG 3.15Å; D814-Q835 PolarHBondContact OD1-NE2 3.11Å
836	P	69	Low	66.7	Low	5 Å²	5	67.7 Å²	67.7	3%	0.032	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	128.5	172.6	34.9	-29.7	0	0	0	112.5	W746 P809 F815 F834	W746-P836 HydrophobicContact CD2-CB 4.4Å; W746-P836 HydrophobicContact CE3-CB 3.74Å; W746-P836 HydrophobicContact CZ3-CB 4.42Å; P809-P836 HydrophobicContact CG-CG 3.98Å; F815-P836 HydrophobicContact CB-CG 4.07Å; F815-P836 HydrophobicContact CD2-CG 3.37Å; F815-P836 HydrophobicContact CE2-CG 3.88Å; F815-P836 HydrophobicContact CG-CG 3.78Å; F834-P836 HydrophobicContact CE2-CB 4.26Å
837	L	63.8	Low	64	Low	18 Å²	18	70.5 Å²	70.5	9%	0.094	42%	0.419	C	S	.	.			trans	41	100.3	172.7	-95.3	86.2	0	0	0	118.3	W746 P749 L808 T839	W746-L837 HydrophobicContact CB-CD1 3.98Å; W746-L837 WeakPolarHBondContact O-CA 3.17Å; W746-L837 WeakPolarHBondContact O-CD1 3.44Å; W746-L837 PolarHBondContact O-N 3.37Å; P749-L837 HydrophobicContact CG-CD2 3.97Å; L808-L837 HydrophobicContact CD1-CD1 3.84Å; L837-T839 HydrophobicContact CD2-CG2 4.37Å; L837-T839 PolarHBondContact O-N 3.17Å
838	T	51.7	Low	60.8	Low	48 Å²	48	74.6 Å²	74.6	29%	0.294	45%	0.453	S	S	.	.			trans	-82.8	101.1	156.4	-60.2	0	0	0	0	110.5	H812 S840	H812-T838 VanDerWaalsContact CE1-CG2 3.43Å; H812-T838 WeakPolarHBondContact CE1-CG2 3.42Å; T838-S840 PolarHBondContact O-N 2.77Å
839	T	45.5	Very low	58.1	Low	99 Å²	99	79.4 Å²	79.4	61%	0.607	49%	0.492	S	S	*	.			trans	-78.1	63.2	170	42	0	0	0	0	112.1	L837 A841	L837-T839 HydrophobicContact CD2-CG2 4.37Å; L837-T839 PolarHBondContact O-N 3.17Å; T839-A841 PolarHBondContact O-N 2.71Å
840	S	43.2	Very low	54.9	Low	100 Å²	100	89.8 Å²	89.8	70%	0.699	53%	0.533	S	S	*	.			trans	-72.8	39.7	173	50	0	0	0	0	113.4	T838 T842	T838-S840 PolarHBondContact O-N 2.77Å; S840-T842 PolarHBondContact O-N 2.72Å; S840-T842 VanDerWaalsContact O-N 3.17Å
841	A	38.9	Very low	51.8	Low	80 Å²	80	100.4 Å²	100.4	66%	0.661	57%	0.57	S	S	*	*			trans	-87.1	72.7	177.4	0	0	0	0	0	111	T839 L843	T839-A841 PolarHBondContact O-N 2.71Å; A841-L843 PolarHBondContact O-N 3.01Å
842	T	35.3	Very low	48.7	Very low	131 Å²	131	103.4 Å²	103.4	80%	0.804	60%	0.603	S	S	*	*			trans	-59.5	111.6	159.8	45.4	0	0	0	0	108.5	S840 S844	S840-T842 PolarHBondContact O-N 2.72Å; S840-T842 VanDerWaalsContact O-N 3.17Å; T842-S844 PolarHBondContact O-N 2.89Å
843	L	36.4	Very low	45.7	Very low	146 Å²	146	103.8 Å²	103.8	76%	0.764	62%	0.615	S	S	*	*			trans	-63.4	88.4	-177.2	-80.7	159.4	0	0	0	112.1	A841 W845	A841-L843 PolarHBondContact O-N 3.01Å; L843-W845 VanDerWaalsContact C-N 3.32Å; L843-W845 PolarHBondContact O-N 3.21Å
844	S	30.4	Very low	42.9	Very low	112 Å²	112	107 Å²	107	78%	0.783	64%	0.635	S	S	*	*			trans	-73.5	85	164.2	42.4	0	0	0	0	109.7	T842 P846	T842-S844 PolarHBondContact O-N 2.89Å; S844-P846 VanDerWaalsContact O-CD 3.28Å; S844-P846 WeakPolarHBondContact O-CD 3.47Å
845	W	29.4	Very low	40.2	Very low	214 Å²	214	116.1 Å²	116.1	81%	0.811	68%	0.675	S	S	*	*			trans	-56.7	118.3	178.7	-86.5	68	0	0	0	112.2	L843 G847	L843-W845 VanDerWaalsContact C-N 3.32Å; L843-W845 PolarHBondContact O-N 3.21Å; W845-G847 PolarHBondContact O-N 2.93Å
846	P	38.3	Very low	37.7	Very low	133 Å²	133	120.4 Å²	120.4	86%	0.864	70%	0.7	S	S	*	*	S	Bend	trans	-85.2	88.2	172.4	33.7	-30.8	0	0	0	110	S844	S844-P846 VanDerWaalsContact O-CD 3.28Å; S844-P846 WeakPolarHBondContact O-CD 3.47Å
847	G	36.1	Very low	35.7	Very low	67 Å²	67	125 Å²	125	69%	0.691	73%	0.732	S	S	*	*			trans	149.7	79.8	169.1	0	0	0	0	0	116.6	W845	W845-G847 PolarHBondContact O-N 2.93Å
848	A	30.7	Very low	34.7	Very low	86 Å²	86	130.3 Å²	130.3	71%	0.711	77%	0.768	S	S	*	*			trans	-120.9	100.9	154.8	0	0	0	0	0	108	Y850	A848-Y850 PolarHBondContact O-N 2.73Å
849	A	36	Very low	33.5	Very low	101 Å²	101	131.3 Å²	131.3	84%	0.835	79%	0.788	S	S	*	*			trans	-72.6	111.9	-178.3	0	0	0	0	0	110.5
850	Y	29.5	Very low	32.7	Very low	218 Å²	218	133 Å²	133	86%	0.855	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-92.6	131.5	170.8	-98.3	-89.8	0	0	0	111.2	A848	A848-Y850 PolarHBondContact O-N 2.73Å
851	W	30.5	Very low	32.1	Very low	251 Å²	251	134.2 Å²	134.2	95%	0.951	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-68.3	141.5	171.5	-72.3	82.4	0	0	0	110.3
852	G	28.3	Very low	31.5	Very low	75 Å²	75	136 Å²	136	77%	0.773	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-86.9	160.5	-160.7	0	0	0	0	0	116.7
853	V	28.5	Very low	31.2	Very low	140 Å²	140	136.1 Å²	136.1	85%	0.848	81%	0.81	S	S	*	*			trans	-133.9	140.2	165.4	179.6	0	0	0	0	106.5
854	P	32.3	Very low	30.7	Very low	125 Å²	125	135.6 Å²	135.6	81%	0.812	81%	0.812	S	S	*	*			trans	-82.2	167.7	-159.3	31	-36.8	0	0	0	116.5
855	K	30.5	Very low	30.6	Very low	204 Å²	204	136.6 Å²	136.6	89%	0.887	81%	0.814	S	S	*	*			trans	-59.6	148.3	-179.2	-63.3	176.3	177.4	176.9	0	114.1
856	L	28.4	Very low	30.5	Very low	175 Å²	175	133.7 Å²	133.7	92%	0.916	81%	0.813	S	S	*	*			trans	-145.5	153	147	-104.4	162.9	0	0	0	110.2
857	S	26.6	Very low	29.9	Very low	103 Å²	103	132.3 Å²	132.3	72%	0.72	81%	0.806	S	S	*	*			trans	-164.9	176	-176.9	61.3	0	0	0	0	108.7
858	P	41.7	Very low	29.5	Very low	129 Å²	129	138.9 Å²	138.9	84%	0.838	82%	0.816	S	S	*	*			cis	-122.3	-168.2	-9.3	41.7	-26.8	0	0	0	112.5
859	G	27.9	Very low	29.4	Very low	69 Å²	69	139.1 Å²	139.1	71%	0.711	82%	0.817	S	S	*	*			trans	166.1	92.1	164.7	0	0	0	0	0	119.9
860	T	28.9	Very low	29.2	Very low	135 Å²	135	139.9 Å²	139.9	83%	0.828	82%	0.817	S	S	*	*			trans	38.2	109.1	140.3	-43.2	0	0	0	0	122.8
861	T	28.8	Very low	29.7	Very low	124 Å²	124	136 Å²	136	76%	0.761	82%	0.818	S	S	*	*			trans	-0.5	134	136.9	-11.1	0	0	0	0	120.4
862	S	27.1	Very low	29.5	Very low	119 Å²	119	127.1 Å²	127.1	83%	0.832	81%	0.805	S	S	*	*				-178.3	149.1	111.1	-79.1	0	0	0	0	114.3
863	T	28.1	Very low	30.9	Very low	133 Å²	133	129.4 Å²	129.4	82%	0.816	81%	0.806	S	S	*	*			trans	-88.8	147.3	175.5	47	0	0	0	0	113
864	V	25.8	Very low	31.1	Very low	135 Å²	135	128.1 Å²	128.1	82%	0.818	80%	0.803	S	S	*	*			trans	-137.4	130	154.9	-179.3	0	0	0	0	110.4	I866	V864-I866 HydrophobicContact CG1-CG1 4.38Å
865	T	29	Very low	31.2	Very low	132 Å²	132	128 Å²	128	81%	0.81	81%	0.805	S	S	*	*			trans	-88.9	136.3	175	-47.5	0	0	0	0	110.4
866	I	27.9	Very low	31.2	Very low	154 Å²	154	122 Å²	122	79%	0.79	80%	0.801	S	S	*	*			trans	-134.2	141.1	168.6	-60.9	-177.2	0	0	0	110	V864	V864-I866 HydrophobicContact CG1-CG1 4.38Å
867	S	24.9	Very low	31.2	Very low	104 Å²	104	121.8 Å²	121.8	73%	0.727	80%	0.798	S	S	*	*			trans	-145.7	151.5	169.3	68.9	0	0	0	0	111.9
868	K	28	Very low	31.4	Very low	205 Å²	205	125.3 Å²	125.3	89%	0.891	81%	0.805	S	S	*	*			trans	71.5	115.6	170.7	-74.1	-175	173.3	178.7	0	120.9
869	A	28.6	Very low	30.7	Very low	90 Å²	90	123 Å²	123	74%	0.744	80%	0.804	S	S	*	*				93.1	102.3	122.7	0	0	0	0	0	121.6
870	S	30.9	Very low	30.7	Very low	118 Å²	118	123.9 Å²	123.9	83%	0.825	81%	0.814	S	S	*	*				34.7	141.4	126.6	-45.6	0	0	0	0	122.7
871	P	41.2	Very low	30.8	Very low	135 Å²	135	123.5 Å²	123.5	88%	0.877	81%	0.812	S	S	*	*				-140.4	-178.9	110.7	39.8	-28.4	0	0	0	115.5
872	G	25.9	Very low	30.8	Very low	66 Å²	66	125.1 Å²	125.1	68%	0.68	82%	0.815	S	S	*	*			trans	-141.3	-158.5	167.7	0	0	0	0	0	110
873	P	57.8	Low	30.9	Very low	122 Å²	122	131.3 Å²	131.3	79%	0.792	82%	0.82	S	S	*	*			cis	-142.3	-162.5	9.9	44.5	-25	0	0	0	116
874	S	32.2	Very low	30.9	Very low	113 Å²	113	135.7 Å²	135.7	79%	0.79	82%	0.824	S	S	*	*			trans	78.4	146.5	162.6	75.2	0	0	0	0	119.3
875	S	35.8	Very low	31	Very low	122 Å²	122	133.8 Å²	133.8	85%	0.853	82%	0.816	S	S	*	*			cis	-168.3	155.7	-18.9	51.8	0	0	0	0	111.9
876	G	29.3	Very low	31	Very low	78 Å²	78	135.8 Å²	135.8	80%	0.804	82%	0.816	S	S	*	*			trans	140.1	92.5	156.9	0	0	0	0	0	121.5
877	M	29.8	Very low	31.1	Very low	172 Å²	172	136.7 Å²	136.7	85%	0.847	82%	0.822	S	S	*	*			trans	37.6	139.1	146.6	-87.4	-168.5	171.8	0	0	127.2
878	M	29.1	Very low	31.1	Very low	176 Å²	176	135.4 Å²	135.4	87%	0.867	82%	0.824	S	S	*	*			trans	67	129.8	143.6	-69.8	-163.5	-172.7	0	0	123.6
879	G	27.6	Very low	31	Very low	80 Å²	80	129.4 Å²	129.4	83%	0.825	82%	0.821	S	S	*	*				131.8	116.7	116.8	0	0	0	0	0	120.6
880	G	28.1	Very low	31.1	Very low	88 Å²	88	134.3 Å²	134.3	91%	0.907	83%	0.828	S	S	*	*			trans	91.8	134.8	138.2	0	0	0	0	0	120.1
881	T	30.7	Very low	31.7	Very low	128 Å²	128	133.5 Å²	133.5	79%	0.785	82%	0.82	S	S	*	*			trans	-105.9	143.3	177.8	46.5	0	0	0	0	113.7
882	D	30	Very low	31	Very low	157 Å²	157	135.2 Å²	135.2	84%	0.84	82%	0.821	S	S	*	*			trans	51.7	149.7	146.7	-58.9	-35.5	0	0	0	122.9
883	R	28.8	Very low	31	Very low	249 Å²	249	135.8 Å²	135.8	94%	0.94	83%	0.827	S	S	*	*			trans	-128.1	159.9	179.1	-69.9	-169	-173	-178.5	4.5	113
884	Y	27.5	Very low	29.7	Very low	225 Å²	225	137.6 Å²	137.6	88%	0.882	83%	0.828	S	S	*	*			trans	-77.2	166.9	178.1	-101.4	-110.2	0	0	0	115.2
885	S	28.8	Very low	29.4	Very low	95 Å²	95	141.7 Å²	141.7	66%	0.664	83%	0.832	S	S	*	*			trans	99.1	119.7	130.4	62.2	0	0	0	0	124.2
886	H	28.6	Very low	29	Very low	175 Å²	175	145.7 Å²	145.7	81%	0.81	83%	0.834	S	S	*	*				86.8	143.6	125.1	-87	-59.3	0	0	0	124.5
887	L	29.1	Very low	28.9	Very low	173 Å²	173	147.5 Å²	147.5	91%	0.906	84%	0.835	S	S	*	*			trans	72.1	142.7	164.3	-60	151.8	0	0	0	116.4
888	G	26.4	Very low	28.8	Very low	76 Å²	76	144.2 Å²	144.2	78%	0.784	83%	0.829	S	S	*	*			cis	158.4	128.3	-11.7	0	0	0	0	0	112.8
889	G	26	Very low	28.9	Very low	80 Å²	80	149.2 Å²	149.2	83%	0.825	85%	0.846	S	S	*	*			trans	157.6	140	172.1	0	0	0	0	0	117.5
890	H	29	Very low	29	Very low	192 Å²	192	152.7 Å²	152.7	89%	0.889	85%	0.847	S	S	*	*			trans	-119.2	175.5	162.6	-86.6	-56.9	0	0	0	107.3
891	P	43.3	Very low	29	Very low	102 Å²	102	156.1 Å²	156.1	66%	0.662	84%	0.844	S	S	*	*			cis	-137.9	-173.5	9.8	43.5	-25.1	0	0	0	116.1
892	L	27.2	Very low	28.9	Very low	170 Å²	170	157.6 Å²	157.6	89%	0.89	85%	0.847	S	S	*	*			trans	47.1	129.1	145.2	-73.4	160.8	0	0	0	122
893	G	26.9	Very low	28.9	Very low	78 Å²	78	157.6 Å²	157.6	80%	0.804	85%	0.848	S	S	*	*			trans	-178.2	114.5	158.7	0	0	0	0	0	114.3
894	I	28.9	Very low	28.9	Very low	160 Å²	160	151.9 Å²	151.9	82%	0.821	84%	0.842	S	S	*	*			trans	-123.8	120.1	175.2	-58.4	170.2	0	0	0	109.3
895	K	25.9	Very low	28.9	Very low	199 Å²	199	147.1 Å²	147.1	87%	0.865	84%	0.839	S	S	*	*			trans	-177.7	158.5	138.9	-105.7	164.5	-175.9	178.8	0	114.5
896	F	29.1	Very low	29	Very low	206 Å²	206	150.8 Å²	150.8	90%	0.904	85%	0.852	S	S	*	*			trans	-59.3	143.3	178.5	-63.7	-107.2	0	0	0	114.9
897	S	25.3	Very low	29	Very low	117 Å²	117	148.9 Å²	148.9	82%	0.818	86%	0.855	S	S	*	*			trans	-157	146.4	130.2	56.5	0	0	0	0	110.8
898	S	28.9	Very low	29	Very low	102 Å²	102	146.9 Å²	146.9	71%	0.713	85%	0.851	S	S	*	*			trans	-59.1	149.6	177.2	49.2	0	0	0	0	114.8
899	F	30.8	Very low	29.2	Very low	281 Å²	281	153.4 Å²	153.4	100%	1.232	86%	0.857	S	S	*	*				-141.5	0	121.9	-104	-74.9	0	0	0	109.4

Retrieved 899 of 899 residues in 794.7 ms (Link to these results)

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