A0A5K4F1S0_SCHMA Loading...

FERM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F1S0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 944 aa.

						>A0A5K4F1S0_SCHMA|A0A5K4F1S0
MMEDIQEHKRERGEKVHRKKKSRDYEVTDQTANRFLNHFSDNRYENDDQDNGRHDAETTEGYADFYANRRPYSSSRVVCRDSVEKAYPNERAERHRPKKKSQRHENVSNMAGMGHKYSVDHYQESIHSYVSDNENQYRSRTGSRISQNQVPYHQDEESGVSGSIRYDGSVPPSPLSGSIPISNGRSEERRESSLGLHNNLHSESYSSYEQRLPDDGHSNALVGSGREFWNPEFGQGQHELIPHQNLPEVSPTKKVLSKLFASFRRRKPKAHVSQITKPSDNSTSVCVIMLDGEELVFQLSRDDIGQVLFDQVCQNLDLYEADYFGLTFVSNKIRTWFWLDLQTKIGKQLRDNEERLFYFQVKFYPPEPSLLQEELTRYQLTLQIRQDIYTGKLPCSWVTQALLGSFMIQAELGDFDPDKHIGLDYLNEFEFVPSPTPQLLKKIVELHKTHTGMKPNEADIKYLETAKRLELYGVDLHPAKDTENVDIYIGVGFHGVVIYRDRLRIGRFAWPKVLRISYKKNNFYLKIRPDYSEPVEAIVGFRLLNPHLANRLWKAAVEHHAFFRLKETPAPKRPLSTPSLSKSQFRYTGRTFFQYRTTNIDRPHPRFNRSILKRRTASMPTGLNAAMNIHTLNRAHPRDMTVGKIQNNDQLQGLRRFGSVQMGHYDSGANGNNGATQLYGTVPRHHPYSESVVSEVQDVQSQMSKQYSDGVANSLSYGSVNESYDNEAPYNDYVNYRHSGKGKPEEMLSVTSGSQSSDYPIIQHGQNDRKGRHPSEISNSINERRPNSPIYANTKTHRHKKHHDESSTNTVQQKDNYSYGPNTRISNLSSSHKPPVGGVPVFGGVMLPKSHHNQEADRLKRSDQLRPLNSPHFKKKQQYHSEENDDEQTVTLTEDKVDHNQYKSSSKHRKQLQTDNYSAVSNHNRSRHSGRSHRRQSGNVEGML
					

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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	41.5	Very low	37.6	Very low	239 Å²	239	185.2 Å²	185.2	100%	1.177	86%	0.864	S	S	*	*				0	125.4	0	-74.1	174.3	170.8	0	0	106.6
2	M	37.9	Very low	37.6	Very low	163 Å²	163	191.5 Å²	191.5	80%	0.803	87%	0.874	S	S	*	*			trans	31.6	117.6	160.8	-64.4	156.9	-179	0	0	117.5	D4	M2-D4 HydrophobicContact CB-CB 4.14Å; M2-D4 HydrophobicContact CG-CB 4.18Å
3	E	34.9	Very low	37.4	Very low	201 Å²	201	183.1 Å²	183.1	94%	0.939	87%	0.872	S	S	*	*			cis	42.7	57	18.1	-76.2	-163.8	145.5	0	0	113.3
4	D	37.9	Very low	37.3	Very low	130 Å²	130	182.4 Å²	182.4	70%	0.695	87%	0.868	S	S	*	*			trans	-163.7	177.9	154.2	-119.2	-38.9	0	0	0	109.8	M2	M2-D4 HydrophobicContact CB-CB 4.14Å; M2-D4 HydrophobicContact CG-CB 4.18Å
5	I	42.6	Very low	37.2	Very low	156 Å²	156	181.7 Å²	181.7	80%	0.8	86%	0.86	S	S	*	*			trans	68.1	43.6	179.5	-32.2	177.3	0	0	0	114.3
6	Q	39.5	Very low	37.3	Very low	203 Å²	203	179.6 Å²	179.6	95%	0.949	86%	0.862	S	S	*	*	S	Bend	trans	-102.7	3.2	159	-149.6	171	52.1	0	0	114
7	E	35.4	Very low	37.3	Very low	156 Å²	156	178.1 Å²	178.1	73%	0.729	85%	0.853	S	S	*	*	S	Bend	trans	-138.5	53	-179.1	-163.4	154.9	-132.3	0	0	115	R10	E7-R10 IonicContact OE1-NH1 3.75Å
8	H	37.4	Very low	37.2	Very low	173 Å²	173	181.2 Å²	181.2	80%	0.801	86%	0.855	S	S	*	*			trans	-148.1	62.4	170.3	-114.4	-56.8	0	0	0	115.7
9	K	38.7	Very low	37.1	Very low	213 Å²	213	182.7 Å²	182.7	93%	0.926	86%	0.858	S	S	*	*			trans	-157.9	30.4	158.6	-115	155.9	-169.1	170.4	0	116.2
10	R	33.8	Very low	37	Very low	216 Å²	216	184.3 Å²	184.3	82%	0.815	86%	0.862	S	S	*	*	S	Bend	trans	-78.4	160.5	150.9	-69.9	176.2	175.3	144.8	-2.1	108.5	E7	E7-R10 IonicContact OE1-NH1 3.75Å
11	E	34.5	Very low	36.8	Very low	187 Å²	187	184 Å²	184	87%	0.874	86%	0.858	S	S	*	*	S	Bend	trans	58.6	76.9	175.3	-55.6	-164.6	164.1	0	0	118.3
12	R	37.7	Very low	36.4	Very low	261 Å²	261	178.1 Å²	178.1	99%	0.985	84%	0.84	S	S	*	*			trans	-168.7	105.8	140.5	-106.1	164.9	-161.3	-155.9	5.4	109.7
13	G	35	Very low	36.1	Very low	82 Å²	82	181.8 Å²	181.8	85%	0.845	85%	0.845	S	S	*	*			trans	169.4	-0.3	-178.5	0	0	0	0	0	118.1
14	E	36.1	Very low	36	Very low	174 Å²	174	176.8 Å²	176.8	81%	0.813	83%	0.825	S	S	*	*			trans	-73.9	162.5	175	-67.7	-155.4	117	0	0	113.8
15	K	35.9	Very low	35.7	Very low	171 Å²	171	180.5 Å²	180.5	74%	0.743	83%	0.83	S	S	*	*			trans	86.6	39.6	162	-56.1	176.8	-176.2	169	0	120.1	H17	K15-H17 PolarHBondContact O-ND1 2.77Å
16	V	38.8	Very low	35.1	Very low	149 Å²	149	180.8 Å²	180.8	90%	0.903	83%	0.828	S	S	*	*			trans	-124.3	75.9	151.1	-171.5	0	0	0	0	110.4
17	H	37.1	Very low	34.8	Very low	153 Å²	153	178.4 Å²	178.4	71%	0.708	83%	0.827	S	S	*	*				94	73.6	90.5	-90.5	79.1	0	0	0	116.6	K15	K15-H17 PolarHBondContact O-ND1 2.77Å
18	R	34.1	Very low	34.9	Very low	234 Å²	234	176.4 Å²	176.4	88%	0.883	83%	0.826	S	S	*	*			trans	39.1	102.9	139.3	-70.1	177	164.8	164	-5.8	119.4
19	K	36	Very low	34.6	Very low	211 Å²	211	175.1 Å²	175.1	92%	0.917	83%	0.825	S	S	*	*				-157.1	142	123.9	-121.6	168.2	-175.6	171.9	0	112.9
20	K	35.4	Very low	34.2	Very low	214 Å²	214	173.4 Å²	173.4	93%	0.93	82%	0.82	S	S	*	*			trans	63.8	75.1	166.2	-154.1	178.2	-173.3	-176.1	0	117.3
21	K	33.7	Very low	34	Very low	178 Å²	178	170.2 Å²	170.2	77%	0.774	83%	0.825	S	S	*	*			trans	-132.5	124.6	154.2	-169.5	178.3	-173.9	-175.6	0	110.2	D24	K21-D24 WeakPolarHBondContact CE-OD2 3.38Å; K21-D24 IonicContact NZ-OD2 3.65Å; K21-D24 PolarHBondContact NZ-OD2 2.7Å
22	S	32.6	Very low	34	Very low	115 Å²	115	165.6 Å²	165.6	80%	0.804	82%	0.819	S	S	*	*			trans	-173.7	146.7	158.6	-172.9	0	0	0	0	109.2
23	R	31.4	Very low	33.7	Very low	240 Å²	240	160.6 Å²	160.6	91%	0.906	81%	0.812	S	S	*	*			trans	75.9	67.6	-169.3	-65.7	-171.9	163.8	139.6	-0.5	116.7
24	D	32.7	Very low	33.5	Very low	96 Å²	96	168 Å²	168	51%	0.513	81%	0.814	S	S	.	*			trans	-90.5	173	133.1	-62	-56.5	0	0	0	108.3	K21	K21-D24 WeakPolarHBondContact CE-OD2 3.38Å; K21-D24 IonicContact NZ-OD2 3.65Å; K21-D24 PolarHBondContact NZ-OD2 2.7Å
25	Y	31.2	Very low	33.4	Very low	208 Å²	208	170.1 Å²	170.1	82%	0.816	82%	0.821	S	S	*	*			trans	81.6	129.7	169.4	-56.8	-80.6	0	0	0	120.7
26	E	29.5	Very low	33.2	Very low	163 Å²	163	169.2 Å²	169.2	76%	0.762	82%	0.823	S	S	*	*			trans	49.3	102.6	146.8	-63.8	176.7	147.1	0	0	120.4
27	V	33.5	Very low	32.8	Very low	153 Å²	153	168.1 Å²	168.1	93%	0.927	81%	0.812	S	S	*	*			trans	-128.6	91.5	137.1	-178.3	0	0	0	0	107.9
28	T	37.1	Very low	32.6	Very low	114 Å²	114	167.9 Å²	167.9	70%	0.699	81%	0.811	S	S	*	*			trans	-79.2	164.1	158.9	41.2	0	0	0	0	110.3	Q30	T28-Q30 PolarHBondContact O-N 3.47Å
29	D	31.4	Very low	32.7	Very low	146 Å²	146	166.2 Å²	166.2	78%	0.781	81%	0.811	S	S	*	*	S	Bend	trans	-59.2	123.4	-176.5	-172.4	16.2	0	0	0	113.8
30	Q	30.9	Very low	32.6	Very low	177 Å²	177	160.5 Å²	160.5	83%	0.827	80%	0.797	S	S	*	*			trans	174.5	86.3	159	-104.1	159.3	95.9	0	0	112.2	T28	T28-Q30 PolarHBondContact O-N 3.47Å
31	T	30.6	Very low	32.5	Very low	149 Å²	149	156 Å²	156	91%	0.914	78%	0.784	S	S	*	*			trans	-151	57.2	153.2	-40.7	0	0	0	0	112.1
32	A	33.8	Very low	32.5	Very low	90 Å²	90	154.5 Å²	154.5	74%	0.744	78%	0.784	S	S	*	*			trans	-105.5	136.6	163.2	0	0	0	0	0	109.6
33	N	30.6	Very low	32.4	Very low	156 Å²	156	158.3 Å²	158.3	83%	0.834	78%	0.781	S	S	*	*	S	Bend	trans	49.9	96.6	170.3	-64.5	-22.4	0	0	0	117.9
34	R	31.9	Very low	32.5	Very low	238 Å²	238	156.6 Å²	156.6	90%	0.898	78%	0.776	S	S	*	*			trans	177.4	108.1	133.7	-96.8	151.6	-171.1	177.2	4.5	111.2
35	F	32.6	Very low	32.6	Very low	217 Å²	217	158.4 Å²	158.4	95%	0.952	78%	0.781	S	S	*	*			trans	-164.2	112.9	132.8	-93.1	-61.8	0	0	0	107.7
36	L	31.7	Very low	32.8	Very low	152 Å²	152	154.2 Å²	154.2	80%	0.796	77%	0.773	S	S	*	*			trans	-136.5	145.8	176.3	-138.7	87.6	0	0	0	107.4
37	N	30.5	Very low	33.1	Very low	126 Å²	126	152.9 Å²	152.9	67%	0.674	77%	0.771	S	S	*	*			trans	66.9	156.4	173.8	-49.3	-10.5	0	0	0	114.5
38	H	34.1	Very low	33.3	Very low	148 Å²	148	151.4 Å²	151.4	69%	0.685	76%	0.758	S	S	*	*			cis	-141.4	-172.1	12	-115.1	-54.2	0	0	0	111.7
39	F	36.4	Very low	33.3	Very low	199 Å²	199	153.7 Å²	153.7	87%	0.873	76%	0.76	S	S	*	*			trans	79.3	142.7	172.3	-54.2	-78.5	0	0	0	118
40	S	33.5	Very low	33.6	Very low	91 Å²	91	152.7 Å²	152.7	64%	0.636	76%	0.755	S	S	*	*				-179.2	127	-60	-93.4	0	0	0	0	111.1
41	D	33	Very low	33.8	Very low	121 Å²	121	150.5 Å²	150.5	65%	0.647	75%	0.749	S	S	*	*			trans	58.3	157.8	149.9	-76.5	-69.3	0	0	0	124.6
42	N	33.5	Very low	33.9	Very low	145 Å²	145	146.3 Å²	146.3	78%	0.775	74%	0.736	S	S	*	*			trans	80.5	100.3	176.2	-52.7	-37.5	0	0	0	115.2
43	R	29.8	Very low	34	Very low	196 Å²	196	152.3 Å²	152.3	74%	0.74	74%	0.739	S	S	*	*			cis	83.5	141.6	29.1	-148.4	-159.3	-62.2	-157.9	3.3	114.3
44	Y	34.1	Very low	34.4	Very low	204 Å²	204	150.7 Å²	150.7	80%	0.8	73%	0.726	S	S	*	*			trans	98	147	-175.9	-71.5	-79	0	0	0	116
45	E	34.1	Very low	34.5	Very low	134 Å²	134	145.9 Å²	145.9	63%	0.626	72%	0.719	S	S	*	*				-173.6	158.9	-54.7	-134.9	176.5	-136.4	0	0	107.7
46	N	35.5	Very low	34.8	Very low	119 Å²	119	139.6 Å²	139.6	64%	0.636	71%	0.707	S	S	*	*			trans	66.3	151.6	159.8	-52.3	-23.2	0	0	0	116.9
47	D	37.4	Very low	35	Very low	135 Å²	135	140.2 Å²	140.2	72%	0.722	71%	0.705	S	S	*	*			cis	-153.8	149.2	-8.2	-115.9	-22.3	0	0	0	113.6
48	D	37	Very low	35.3	Very low	122 Å²	122	139.5 Å²	139.5	65%	0.652	71%	0.706	S	S	*	*			trans	42	150.1	141.4	-109.8	-10.6	0	0	0	128.7
49	Q	36.7	Very low	35.5	Very low	162 Å²	162	137.5 Å²	137.5	76%	0.757	70%	0.704	S	S	*	*			trans	66.1	139	143.6	-76.4	172.2	53.2	0	0	121.7
50	D	38	Very low	35.4	Very low	125 Å²	125	137.1 Å²	137.1	67%	0.668	71%	0.705	S	S	*	*			cis	-177.3	175.5	7.8	-177.4	37.4	0	0	0	111
51	N	35.2	Very low	35.4	Very low	131 Å²	131	136.4 Å²	136.4	70%	0.701	71%	0.712	S	S	*	*			trans	4	155.3	163.8	-72.2	-51.9	0	0	0	123.5
52	G	33	Very low	35.4	Very low	62 Å²	62	141.5 Å²	141.5	64%	0.639	72%	0.724	S	S	*	*			cis	141.4	146	-5.7	0	0	0	0	0	115.2
53	R	35.1	Very low	35.6	Very low	215 Å²	215	138.9 Å²	138.9	81%	0.811	72%	0.723	S	S	*	*			trans	69.2	163.9	158.9	-76.1	164	172.3	-149.1	1.8	118.4
54	H	39	Very low	35.7	Very low	122 Å²	122	135.9 Å²	135.9	57%	0.565	72%	0.721	S	S	*	*			cis	-154.8	150.4	-3	-111.9	-50	0	0	0	111
55	D	35.3	Very low	35.8	Very low	137 Å²	137	135.7 Å²	135.7	73%	0.733	73%	0.725	S	S	*	*			trans	55.1	170	133.2	-57.3	2.3	0	0	0	123.4
56	A	37.8	Very low	35.7	Very low	85 Å²	85	140.1 Å²	140.1	70%	0.702	74%	0.737	S	S	*	*			cis	-177.2	-174	-36.1	0	0	0	0	0	107.7
57	E	36.2	Very low	35.7	Very low	165 Å²	165	139 Å²	139	77%	0.771	75%	0.745	S	S	*	*			cis	-162.2	178.7	-10.9	-141.3	-167.3	126.2	0	0	110.9
58	T	36.4	Very low	35.5	Very low	111 Å²	111	139.3 Å²	139.3	68%	0.681	75%	0.746	S	S	*	*			trans	65.8	164	155.3	51.4	0	0	0	0	120.8
59	T	38	Very low	35.4	Very low	106 Å²	106	143.1 Å²	143.1	65%	0.65	75%	0.752	S	S	*	*			cis	-152.7	148.9	2.6	-7.5	0	0	0	0	114.3
60	E	34	Very low	35.3	Very low	191 Å²	191	146 Å²	146	89%	0.893	76%	0.756	S	S	*	*			trans	46.8	163.5	138.6	-75.7	164.4	-157.7	0	0	126.5
61	G	34.8	Very low	35.3	Very low	76 Å²	76	145.6 Å²	145.6	78%	0.784	76%	0.76	S	S	*	*			trans	-174.2	-44	179.3	0	0	0	0	0	123.5
62	Y	33.1	Very low	35.3	Very low	229 Å²	229	150.1 Å²	150.1	90%	0.898	77%	0.769	S	S	*	*			trans	65	165.6	172.1	-134.7	-96.4	0	0	0	122.7
63	A	36.1	Very low	35.3	Very low	90 Å²	90	152.3 Å²	152.3	74%	0.744	77%	0.774	S	S	*	*			trans	97.2	129.3	155.7	0	0	0	0	0	123.5
64	D	33.8	Very low	35.3	Very low	132 Å²	132	147.2 Å²	147.2	71%	0.706	77%	0.771	S	S	*	*			trans	-76.7	163.1	-168.5	-50.4	-77.4	0	0	0	119.1
65	F	35.1	Very low	34.9	Very low	201 Å²	201	146.4 Å²	146.4	88%	0.882	78%	0.78	S	S	*	*				178.4	164.3	106.5	-110.5	-89.5	0	0	0	114.9
66	Y	32	Very low	34.9	Very low	226 Å²	226	151.3 Å²	151.3	89%	0.886	79%	0.788	S	S	*	*			trans	-94.8	137.9	-172.4	-85.6	-103.8	0	0	0	116
67	A	36.5	Very low	34.6	Very low	97 Å²	97	153.2 Å²	153.2	80%	0.802	79%	0.79	S	S	*	*			trans	-161.4	78.9	156.6	0	0	0	0	0	117.7
68	N	33.1	Very low	34.5	Very low	140 Å²	140	151.5 Å²	151.5	75%	0.749	79%	0.791	S	S	*	*				34.2	108	124.5	-147.4	-10.3	0	0	0	121.6
69	R	34.8	Very low	34.1	Very low	203 Å²	203	151.6 Å²	151.6	77%	0.766	80%	0.795	S	S	*	*				160.4	125.6	115.6	-85.7	174.9	-169	-132.6	0.8	118.6
70	R	33.5	Very low	34	Very low	222 Å²	222	157.7 Å²	157.7	84%	0.838	81%	0.806	S	S	*	*			trans	62.6	133.1	138.4	-64.1	-172.5	175.1	-163.2	-2.3	123.7
71	P	37.7	Very low	33.8	Very low	116 Å²	116	155.9 Å²	155.9	75%	0.753	80%	0.802	S	S	*	*			trans	-116.8	167.6	166.4	41.8	-32.5	0	0	0	115.2
72	Y	35.2	Very low	33.9	Very low	227 Å²	227	158.2 Å²	158.2	89%	0.89	81%	0.806	S	S	*	*			trans	-164.6	129.9	154.4	-100	-74.3	0	0	0	108
73	S	34	Very low	33.8	Very low	107 Å²	107	153.4 Å²	153.4	75%	0.748	80%	0.8	S	S	*	*				65.1	140	96.2	174.4	0	0	0	0	116.1
74	S	34.6	Very low	33.7	Very low	108 Å²	108	158.2 Å²	158.2	76%	0.755	81%	0.808	S	S	*	*			cis	-166.2	158.5	-13.2	176.9	0	0	0	0	108.1
75	S	30.7	Very low	33.6	Very low	106 Å²	106	161 Å²	161	74%	0.741	81%	0.814	S	S	*	*			trans	-86.9	134.8	-178.9	55.5	0	0	0	0	113.5
76	R	34.4	Very low	33.8	Very low	240 Å²	240	156.2 Å²	156.2	91%	0.906	81%	0.811	S	S	*	*			trans	-114.3	132.9	151	-80.8	-175.7	173.4	176.4	-1.9	108
77	V	33.4	Very low	33.7	Very low	125 Å²	125	156.5 Å²	156.5	76%	0.758	81%	0.812	S	S	*	*			trans	-113	122.8	165.2	177.8	0	0	0	0	107.2
78	V	33.9	Very low	34.1	Very low	128 Å²	128	156.7 Å²	156.7	78%	0.776	81%	0.805	S	S	*	*			trans	-122.4	107	170.2	177.3	0	0	0	0	106.3
79	C	28.1	Very low	34.2	Very low	113 Å²	113	157.3 Å²	157.3	76%	0.764	81%	0.809	S	S	*	*			trans	-83.6	134.4	169.6	-64.7	0	0	0	0	108.9
80	R	35	Very low	34.4	Very low	235 Å²	235	154.9 Å²	154.9	89%	0.887	81%	0.806	S	S	*	*			trans	-139.4	106.4	172.1	-160.1	178	-163.5	176.1	5	107.3
81	D	30.3	Very low	34.6	Very low	153 Å²	153	154.9 Å²	154.9	82%	0.818	81%	0.806	S	S	*	*			trans	-66.3	141	179.4	-65.1	-56.1	0	0	0	110.3
82	S	36	Very low	34.6	Very low	124 Å²	124	152.9 Å²	152.9	87%	0.867	80%	0.799	S	S	*	*			trans	-155.3	131.4	155.3	-76.6	0	0	0	0	109.8
83	V	32.5	Very low	34.6	Very low	128 Å²	128	150.1 Å²	150.1	78%	0.776	79%	0.794	S	S	*	*			trans	-83.4	136.6	-171.1	170.4	0	0	0	0	110.9
84	E	34	Very low	34.8	Very low	192 Å²	192	156.3 Å²	156.3	90%	0.897	80%	0.801	S	S	*	*				-161.8	178.9	127.7	-115.2	-176.8	155.5	0	0	114.5
85	K	30.9	Very low	34.9	Very low	191 Å²	191	160.2 Å²	160.2	83%	0.83	81%	0.807	S	S	*	*			trans	-127.4	138	-159.4	-55.4	164.6	-175.1	161.7	0	112.5
86	A	39.1	Very low	35.1	Very low	100 Å²	100	167.1 Å²	167.1	83%	0.826	82%	0.817	S	S	*	*			trans	-156.4	143.9	153.5	0	0	0	0	0	112.7
87	Y	30.5	Very low	35.1	Very low	231 Å²	231	160.7 Å²	160.7	91%	0.906	81%	0.806	S	S	*	*			trans	-145.1	169.2	168.9	-86.9	-68	0	0	0	105.4
88	P	45.2	Very low	35.1	Very low	101 Å²	101	164.2 Å²	164.2	66%	0.656	81%	0.811	S	S	*	*			cis	-145.8	-172.5	22.9	44.4	-24.8	0	0	0	117.5
89	N	34.5	Very low	35.2	Very low	154 Å²	154	168 Å²	168	82%	0.824	82%	0.818	S	S	*	*			trans	62.4	150.1	159.1	-71.1	-8.5	0	0	0	118.2
90	E	38.1	Very low	35.3	Very low	152 Å²	152	172.3 Å²	172.3	71%	0.71	82%	0.823	S	S	*	*			cis	-132	152.1	33.1	-86.8	-161.7	110.2	0	0	113.6
91	R	38.1	Very low	35.2	Very low	221 Å²	221	167 Å²	167	83%	0.834	82%	0.822	S	S	*	*				61.8	136.8	92.9	-126.4	-175.1	178.2	164.8	-2.9	114
92	A	39	Very low	35.4	Very low	74 Å²	74	167 Å²	167	61%	0.612	82%	0.818	S	S	*	*			cis	-152.3	150.7	11.1	0	0	0	0	0	114.9
93	E	35.7	Very low	35.2	Very low	169 Å²	169	172.6 Å²	172.6	79%	0.79	82%	0.819	S	S	*	*			trans	29.4	130.4	140.8	-57.2	175.8	166.4	0	0	123.4
94	R	37.2	Very low	35.4	Very low	238 Å²	238	172.7 Å²	172.7	90%	0.898	81%	0.811	S	S	*	*				-172.4	141.1	99.5	-95.4	162.2	-156.3	-125.8	0.2	113.1
95	H	36.7	Very low	35.3	Very low	189 Å²	189	170.8 Å²	170.8	88%	0.875	80%	0.802	S	S	*	*			trans	-99.5	151.4	178.5	-75.9	-84.5	0	0	0	113.4
96	R	34.2	Very low	35.4	Very low	251 Å²	251	167.9 Å²	167.9	95%	0.947	80%	0.796	S	S	*	*			trans	-150.2	126.1	153.9	-108.1	-179.5	178.9	175.4	-0.2	111.4
97	P	35.5	Very low	34.9	Very low	105 Å²	105	169 Å²	169	68%	0.682	79%	0.792	S	S	*	*			trans	-124.4	172.2	-177.7	41.9	-32.2	0	0	0	115.8
98	K	33.5	Very low	34.9	Very low	199 Å²	199	162.7 Å²	162.7	87%	0.865	78%	0.782	S	S	*	*			trans	75.8	145.7	172.3	-48.5	172.4	-174.9	177.2	0	113.6
99	K	35.7	Very low	34.2	Very low	208 Å²	208	165.4 Å²	165.4	90%	0.904	79%	0.791	S	S	*	*			cis	-142.5	170.3	32.1	-73.5	177.1	171.1	177.8	0	113.9
100	K	29.2	Very low	34.1	Very low	203 Å²	203	167.3 Å²	167.3	88%	0.883	80%	0.797	S	S	*	*			trans	-83.3	162.5	159.6	-70.8	-177.1	173.5	-175.4	0	111.7
101	S	34.7	Very low	33.7	Very low	124 Å²	124	165 Å²	165	87%	0.867	80%	0.804	S	S	*	*			trans	-143.6	164.9	150.9	-164	0	0	0	0	110.2
102	Q	33	Very low	33.3	Very low	154 Å²	154	158.1 Å²	158.1	72%	0.72	80%	0.802	S	S	*	*			trans	-130.4	139.3	-176.4	-75	171.9	-102.2	0	0	112.6
103	R	32.4	Very low	33.1	Very low	240 Å²	240	163.4 Å²	163.4	91%	0.906	82%	0.816	S	S	*	*			trans	-168.6	108.4	149.6	-113.2	173.8	166.2	169.1	-5.5	105.6
104	H	36.2	Very low	32.8	Very low	130 Å²	130	159.1 Å²	159.1	60%	0.602	82%	0.817	S	S	*	*				63.8	109.8	73.2	-76.3	-99.8	0	0	0	114.3
105	E	32.1	Very low	32.7	Very low	153 Å²	153	155.3 Å²	155.3	72%	0.715	81%	0.809	S	S	*	*			trans	70.1	139	137.9	-68.5	163	-135.5	0	0	118.3
106	N	32.7	Very low	32.5	Very low	129 Å²	129	156.1 Å²	156.1	69%	0.69	81%	0.81	S	S	*	*			cis	-144.2	132.7	6.1	-92.5	-39.6	0	0	0	110.1
107	V	29.8	Very low	32.5	Very low	123 Å²	123	153.6 Å²	153.6	75%	0.745	80%	0.802	S	S	*	*				83.8	133.6	94.8	176.4	0	0	0	0	116.9
108	S	30.3	Very low	32.3	Very low	99 Å²	99	152.2 Å²	152.2	69%	0.692	80%	0.795	S	S	*	*			trans	73.2	117.1	160.8	59.1	0	0	0	0	123
109	N	29.5	Very low	32.6	Very low	158 Å²	158	147 Å²	147	85%	0.845	78%	0.78	S	S	*	*			trans	45	114	132.4	-57	-2.3	0	0	0	121.8
110	M	32.5	Very low	32.6	Very low	195 Å²	195	143 Å²	143	96%	0.961	77%	0.768	S	S	*	*				-133.4	143.4	122.8	-74.1	-158.4	81.2	0	0	110
111	A	30.6	Very low	33.1	Very low	102 Å²	102	140.4 Å²	140.4	84%	0.843	76%	0.759	S	S	*	*			trans	-113.8	142.1	172.2	0	0	0	0	0	109.1
112	G	29.4	Very low	33.2	Very low	78 Å²	78	142.4 Å²	142.4	80%	0.804	75%	0.749	S	S	*	*			trans	158.7	76.9	176	0	0	0	0	0	115.7
113	M	33.6	Very low	33.5	Very low	185 Å²	185	139.3 Å²	139.3	91%	0.911	73%	0.734	S	S	*	*			trans	-151.9	88.4	157.3	-111.3	173	-175.8	0	0	109.7
114	G	29.3	Very low	33.7	Very low	78 Å²	78	133.5 Å²	133.5	80%	0.804	72%	0.717	S	S	*	*			trans	-89.4	111	179.2	0	0	0	0	0	111.7	K116	G114-K116 PolarHBondContact O-N 3.27Å; G114-K116 VanDerWaalsContact O-N 3.1Å
115	H	34.9	Very low	34.1	Very low	159 Å²	159	129 Å²	129	74%	0.736	70%	0.7	S	S	*	*			trans	-75.3	95.9	168.5	-84.9	-82.5	0	0	0	110.7	Y117	H115-Y117 HydrophobicContact CB-CD2 4.43Å; H115-Y117 HydrophobicContact CB-CE2 4.22Å; H115-Y117 PolarHBondContact O-N 2.96Å; H115-Y117 VanDerWaalsContact O-N 3.15Å
116	K	33.1	Very low	34.6	Very low	206 Å²	206	124 Å²	124	90%	0.896	68%	0.678	S	S	*	*			trans	-64.2	107.1	157.8	-83.9	-171.2	173.3	-174	0	108.7	G114	G114-K116 PolarHBondContact O-N 3.27Å; G114-K116 VanDerWaalsContact O-N 3.1Å
117	Y	33.9	Very low	35.1	Very low	198 Å²	198	122 Å²	122	78%	0.776	67%	0.665	S	S	*	*			trans	-85.3	125.4	150.5	-76.6	-87.8	0	0	0	107.4	H115	H115-Y117 HydrophobicContact CB-CD2 4.43Å; H115-Y117 HydrophobicContact CB-CE2 4.22Å; H115-Y117 PolarHBondContact O-N 2.96Å; H115-Y117 VanDerWaalsContact O-N 3.15Å
118	S	32.4	Very low	35.7	Very low	75 Å²	75	118.1 Å²	118.1	52%	0.524	64%	0.642	S	S	.	*			trans	-67.2	130.9	168.5	162.5	0	0	0	0	108.2	D120	S118-D120 VanDerWaalsContact C-N 3.31Å; S118-D120 PolarHBondContact OG-N 3.29Å; S118-D120 PolarHBondContact OG-OD2 3.21Å
119	V	39.4	Very low	36.2	Very low	91 Å²	91	116.3 Å²	116.3	55%	0.552	62%	0.621	S	S	*	*			trans	-88.4	-11.7	178.8	177.1	0	0	0	0	110.5	H121 Y122	V119-H121 VanDerWaalsContact C-N 3.33Å; V119-H121 PolarHBondContact O-N 3.08Å; V119-Y122 PolarHBondContact O-N 2.76Å
120	D	36.4	Very low	36.8	Very low	122 Å²	122	110.7 Å²	110.7	65%	0.652	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-15.7	-151.3	-41.3	-52.4	0	0	0	113.4	S118	S118-D120 VanDerWaalsContact C-N 3.31Å; S118-D120 PolarHBondContact OG-N 3.29Å; S118-D120 PolarHBondContact OG-OD2 3.21Å
121	H	38	Very low	37.2	Very low	149 Å²	149	103.4 Å²	103.4	69%	0.69	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-7.5	172.8	-98.5	-32.6	0	0	0	114.4	V119 E124	V119-H121 VanDerWaalsContact C-N 3.33Å; V119-H121 PolarHBondContact O-N 3.08Å; H121-E124 IonicContact CE1-OE2 3.43Å; H121-E124 PolarHBondContact CE1-OE2 2.56Å; H121-E124 IonicContact CG-OE2 2.62Å; H121-E124 IonicContact ND1-OE2 2.71Å; H121-E124 PolarHBondContact ND1-OE2 2.74Å
122	Y	37.2	Very low	37.7	Very low	167 Å²	167	102.6 Å²	102.6	66%	0.655	54%	0.542	S	S	*	.	H	α-helix	trans	-85.6	-28.3	-176.5	-81.1	-81.5	0	0	0	113.8	V119 E124	V119-Y122 PolarHBondContact O-N 2.76Å; Y122-E124 VanDerWaalsContact C-N 3.33Å
123	Q	39.2	Very low	38.2	Very low	88 Å²	88	102.6 Å²	102.6	41%	0.411	52%	0.523	S	S	.	.	H	α-helix	trans	-69.3	-32.3	175.3	-76.4	179.2	-82.9	0	0	111.8	S125 I126 H127 E483	Q123-S125 VanDerWaalsContact C-N 3.31Å; Q123-S125 PolarHBondContact O-N 3.48Å; Q123-I126 PolarHBondContact O-N 3.27Å; Q123-H127 WeakPolarHBondContact O-CB 3.5Å; Q123-H127 PolarHBondContact O-CD2 2.92Å; Q123-H127 VanDerWaalsContact O-CD2 3.3Å; Q123-H127 PolarHBondContact O-N 2.92Å; Q123-E483 PolarHBondContact NE2-OE1 2.75Å
124	E	36.7	Very low	38.4	Very low	118 Å²	118	99.2 Å²	99.2	55%	0.551	51%	0.505	S	S	*	.	H	α-helix	trans	-60.9	-34.4	-178.4	-66.5	-177.5	128.2	0	0	113.4	H121 Y122 S128	H121-E124 IonicContact CE1-OE2 3.43Å; H121-E124 PolarHBondContact CE1-OE2 2.56Å; H121-E124 IonicContact CG-OE2 2.62Å; H121-E124 IonicContact ND1-OE2 2.71Å; H121-E124 PolarHBondContact ND1-OE2 2.74Å; Y122-E124 VanDerWaalsContact C-N 3.33Å; E124-S128 WeakPolarHBondContact O-CB 3.47Å; E124-S128 PolarHBondContact O-N 2.85Å; E124-S128 PolarHBondContact O-OG 2.96Å; E124-S128 VanDerWaalsContact O-OG 3.08Å
125	S	44	Very low	38.8	Very low	36 Å²	36	99.3 Å²	99.3	25%	0.252	49%	0.488	S	S	.	.	H	α-helix	trans	-74.1	-39.2	176.9	174.5	0	0	0	0	112.7	Q123 S128 Y129 E533	Q123-S125 VanDerWaalsContact C-N 3.31Å; Q123-S125 PolarHBondContact O-N 3.48Å; S125-S128 WeakPolarHBondContact CA-OG 3.46Å; S125-S128 PolarHBondContact O-OG 2.66Å; S125-Y129 WeakPolarHBondContact O-CB 3.42Å; S125-Y129 PolarHBondContact O-N 2.93Å; S125-E533 WeakPolarHBondContact CB-OE1 3.39Å; S125-E533 PolarHBondContact OG-OE1 3.27Å
126	I	42.9	Very low	38.9	Very low	48 Å²	48	95.7 Å²	95.7	25%	0.246	47%	0.471	C	S	.	.	H	α-helix	trans	-69.5	-44.5	176	-61	179.7	0	0	0	109.9	Q123 Y129 V130 T482	Q123-I126 PolarHBondContact O-N 3.27Å; I126-Y129 PolarHBondContact O-N 3.4Å; I126-V130 WeakPolarHBondContact O-CB 3.4Å; I126-V130 VanDerWaalsContact O-CG2 3.32Å; I126-V130 WeakPolarHBondContact O-CG2 3.33Å; I126-V130 PolarHBondContact O-N 2.89Å; I126-T482 HydrophobicContact CD1-CG2 4.42Å
127	H	44.2	Very low	39	Very low	88 Å²	88	92.9 Å²	92.9	41%	0.407	46%	0.456	S	S	.	.	H	α-helix	trans	-70.4	-30.9	177.9	-77.3	-82.9	0	0	0	112.6	Q123 S131 E483	Q123-H127 WeakPolarHBondContact O-CB 3.5Å; Q123-H127 PolarHBondContact O-CD2 2.92Å; Q123-H127 VanDerWaalsContact O-CD2 3.3Å; Q123-H127 PolarHBondContact O-N 2.92Å; H127-S131 WeakPolarHBondContact O-CA 3.33Å; H127-S131 WeakPolarHBondContact O-CB 3.26Å; H127-S131 PolarHBondContact O-N 3.11Å; H127-S131 PolarHBondContact O-OG 2.78Å; H127-E483 IonicContact CD2-OE1 2.89Å; H127-E483 IonicContact CE1-OE1 2.67Å; H127-E483 IonicContact NE2-OE1 3.84Å; H127-E483 PolarHBondContact NE2-OE1 2.75Å
128	S	42.4	Very low	39.2	Very low	40 Å²	40	92.4 Å²	92.4	28%	0.28	45%	0.453	S	S	.	.	H	α-helix	trans	-69.3	-48.4	171	68.4	0	0	0	0	111.5	E124 S125 V130 S131 D132	E124-S128 WeakPolarHBondContact O-CB 3.47Å; E124-S128 PolarHBondContact O-N 2.85Å; E124-S128 PolarHBondContact O-OG 2.96Å; E124-S128 VanDerWaalsContact O-OG 3.08Å; S125-S128 WeakPolarHBondContact CA-OG 3.46Å; S125-S128 PolarHBondContact O-OG 2.66Å; S128-V130 VanDerWaalsContact C-N 3.25Å; S128-V130 PolarHBondContact O-N 3.48Å; S128-S131 PolarHBondContact O-N 3.2Å; S128-D132 VanDerWaalsContact O-CB 3.32Å; S128-D132 WeakPolarHBondContact O-CB 3.47Å; S128-D132 PolarHBondContact O-N 2.93Å
129	Y	40.9	Very low	39.6	Very low	61 Å²	61	93.2 Å²	93.2	24%	0.239	46%	0.458	C	S	.	.	H	α-helix	trans	-66.4	-27.9	-177.8	-136.7	-83.7	0	0	0	112.5	S125 I126 N133 K512 D530	S125-Y129 WeakPolarHBondContact O-CB 3.42Å; S125-Y129 PolarHBondContact O-N 2.93Å; I126-Y129 PolarHBondContact O-N 3.4Å; Y129-N133 PolarHBondContact O-ND2 3.25Å; Y129-K512 PolarHBondContact OH-NZ 3.08Å; Y129-D530 PolarHBondContact OH-OD2 3.49Å
130	V	41.2	Very low	39.4	Very low	41 Å²	41	93.3 Å²	93.3	25%	0.248	45%	0.449	C	S	.	.	H	α-helix	trans	-79.5	-46.7	169.7	175.2	0	0	0	0	111.2	I126 S128 D132 N133 E134	I126-V130 WeakPolarHBondContact O-CB 3.4Å; I126-V130 VanDerWaalsContact O-CG2 3.32Å; I126-V130 WeakPolarHBondContact O-CG2 3.33Å; I126-V130 PolarHBondContact O-N 2.89Å; S128-V130 VanDerWaalsContact C-N 3.25Å; S128-V130 PolarHBondContact O-N 3.48Å; V130-D132 PolarHBondContact O-N 3.23Å; V130-N133 WeakPolarHBondContact O-CB 3.42Å; V130-N133 PolarHBondContact O-N 3.01Å; V130-N133 VanDerWaalsContact O-N 3.13Å; V130-E134 HydrophobicContact CG1-CG 4.34Å; V130-E134 PolarHBondContact O-N 3.28Å
131	S	41.6	Very low	39.5	Very low	41 Å²	41	91.6 Å²	91.6	29%	0.287	44%	0.443	S	S	.	.	H	α-helix	trans	-69.1	-28.7	-178	-60.9	0	0	0	0	113.8	H127 S128 N133 E134 N135	H127-S131 WeakPolarHBondContact O-CA 3.33Å; H127-S131 WeakPolarHBondContact O-CB 3.26Å; H127-S131 PolarHBondContact O-N 3.11Å; H127-S131 PolarHBondContact O-OG 2.78Å; S128-S131 PolarHBondContact O-N 3.2Å; S131-N133 PolarHBondContact O-N 3.28Å; S131-E134 PolarHBondContact O-N 2.83Å; S131-N135 WeakPolarHBondContact O-CA 3.38Å; S131-N135 WeakPolarHBondContact O-CB 3.46Å; S131-N135 VanDerWaalsContact O-CG 3.24Å; S131-N135 PolarHBondContact O-N 3.41Å; S131-N135 PolarHBondContact O-ND2 3.09Å
132	D	41.7	Very low	39.2	Very low	85 Å²	85	87.7 Å²	87.7	46%	0.455	44%	0.443	S	S	.	.	H	α-helix	trans	-70.6	-24.8	174.2	-78.9	-11.2	0	0	0	111.4	S128 V130 Q136	S128-D132 VanDerWaalsContact O-CB 3.32Å; S128-D132 WeakPolarHBondContact O-CB 3.47Å; S128-D132 PolarHBondContact O-N 2.93Å; V130-D132 PolarHBondContact O-N 3.23Å; D132-Q136 WeakPolarHBondContact O-CB 3.3Å; D132-Q136 VanDerWaalsContact O-CG 3.27Å; D132-Q136 WeakPolarHBondContact O-CG 3.46Å; D132-Q136 PolarHBondContact O-NE2 2.93Å
133	N	39	Very low	39.1	Very low	78 Å²	78	85.7 Å²	85.7	42%	0.417	45%	0.453	S	S	.	.	H	α-helix	trans	-79.9	-49.3	167.7	-75.2	-82.6	0	0	0	110.8	Y129 V130 S131 N135 Q136 Y137	Y129-N133 PolarHBondContact O-ND2 3.25Å; V130-N133 WeakPolarHBondContact O-CB 3.42Å; V130-N133 PolarHBondContact O-N 3.01Å; V130-N133 VanDerWaalsContact O-N 3.13Å; S131-N133 PolarHBondContact O-N 3.28Å; N133-N135 PolarHBondContact O-N 3.41Å; N133-Q136 WeakPolarHBondContact O-CB 3.21Å; N133-Q136 PolarHBondContact O-N 2.91Å; N133-Y137 WeakPolarHBondContact O-CD2 3.42Å; N133-Y137 PolarHBondContact O-N 3.39Å
134	E	38	Very low	38.9	Very low	114 Å²	114	92.8 Å²	92.8	53%	0.533	48%	0.476	S	S	.	.	H	α-helix	trans	-63.1	-40.6	179.4	-70.7	-160.1	158.6	0	0	113.1	V130 S131 Q136 Y137 R138	V130-E134 HydrophobicContact CG1-CG 4.34Å; V130-E134 PolarHBondContact O-N 3.28Å; S131-E134 PolarHBondContact O-N 2.83Å; E134-Q136 VanDerWaalsContact C-N 3.34Å; E134-Q136 PolarHBondContact O-N 3.17Å; E134-Y137 CarbonylContact O-C 3.55Å; E134-Y137 PolarHBondContact O-N 2.65Å; E134-R138 WeakPolarHBondContact O-CB 3.28Å; E134-R138 PolarHBondContact O-N 2.88Å
135	N	37.8	Very low	38.7	Very low	81 Å²	81	95 Å²	95	43%	0.433	49%	0.49	S	S	.	.	H	α-helix	trans	-69.9	-30.8	177.4	-72.5	-44.1	0	0	0	112	S131 N133 R138 S139	S131-N135 WeakPolarHBondContact O-CA 3.38Å; S131-N135 WeakPolarHBondContact O-CB 3.46Å; S131-N135 VanDerWaalsContact O-CG 3.24Å; S131-N135 PolarHBondContact O-N 3.41Å; S131-N135 PolarHBondContact O-ND2 3.09Å; N133-N135 PolarHBondContact O-N 3.41Å; N135-R138 PolarHBondContact O-N 2.92Å; N135-S139 WeakPolarHBondContact O-CB 3.47Å; N135-S139 PolarHBondContact O-N 2.86Å; N135-S139 PolarHBondContact O-OG 2.82Å
136	Q	37.6	Very low	38.3	Very low	83 Å²	83	98.4 Å²	98.4	39%	0.388	51%	0.514	S	S	.	.	H	α-helix	trans	-61.1	-50.1	168	-87.9	178.6	75.1	0	0	110.2	D132 N133 E134 R138 Y724	D132-Q136 WeakPolarHBondContact O-CB 3.3Å; D132-Q136 VanDerWaalsContact O-CG 3.27Å; D132-Q136 WeakPolarHBondContact O-CG 3.46Å; D132-Q136 PolarHBondContact O-NE2 2.93Å; N133-Q136 WeakPolarHBondContact O-CB 3.21Å; N133-Q136 PolarHBondContact O-N 2.91Å; E134-Q136 VanDerWaalsContact C-N 3.34Å; E134-Q136 PolarHBondContact O-N 3.17Å; Q136-R138 PolarHBondContact O-N 2.86Å; Q136-Y724 HydrophobicContact CB-CE1 4.4Å; Q136-Y724 WeakPolarHBondContact CB-OH 3.35Å; Q136-Y724 PolarHBondContact O-OH 3.04Å
137	Y	34.4	Very low	37.9	Very low	147 Å²	147	103.5 Å²	103.5	58%	0.576	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-4.4	175.3	-86.5	-96	0	0	0	116.1	N133 E134 E722	N133-Y137 WeakPolarHBondContact O-CD2 3.42Å; N133-Y137 PolarHBondContact O-N 3.39Å; E134-Y137 CarbonylContact O-C 3.55Å; E134-Y137 PolarHBondContact O-N 2.65Å; Y137-E722 VanDerWaalsContact C-OE1 3.27Å; Y137-E722 WeakPolarHBondContact CA-OE1 3.32Å
138	R	37.4	Very low	37.5	Very low	188 Å²	188	107 Å²	107	71%	0.709	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.3	-17	-177.9	-160.8	174.5	-168.4	173.6	4.5	113.5	E134 N135 Q136	E134-R138 WeakPolarHBondContact O-CB 3.28Å; E134-R138 PolarHBondContact O-N 2.88Å; N135-R138 PolarHBondContact O-N 2.92Å; Q136-R138 PolarHBondContact O-N 2.86Å
139	S	41	Very low	36.9	Very low	92 Å²	92	113.1 Å²	113.1	64%	0.643	58%	0.583	S	S	*	*	S	Bend	trans	-87.4	-7.7	-178.8	-60.1	0	0	0	0	114.1	N135	N135-S139 WeakPolarHBondContact O-CB 3.47Å; N135-S139 PolarHBondContact O-N 2.86Å; N135-S139 PolarHBondContact O-OG 2.82Å
140	R	35.8	Very low	36.8	Very low	93 Å²	93	117 Å²	117	35%	0.351	61%	0.612	S	S	.	*	S	Bend	trans	-113.4	-12.5	-175.6	-63.5	154.1	156.2	-79.3	8.6	113.7	E722 S723	R140-E722 HydrophobicContact CB-CB 4.46Å; R140-E722 HydrophobicContact CB-CG 3.8Å; R140-E722 WeakPolarHBondContact CB-OE1 3.43Å; R140-E722 WeakPolarHBondContact CD-OE2 3.13Å; R140-S723 VanDerWaalsContact CZ-O 3.24Å; R140-S723 VanDerWaalsContact NH1-N 3.19Å; R140-S723 PolarHBondContact NH1-O 2.84Å; R140-S723 PolarHBondContact NH1-OG 3.2Å; R140-S723 PolarHBondContact NH2-O 2.68Å
141	T	38.3	Very low	36.5	Very low	85 Å²	85	120.8 Å²	120.8	52%	0.521	64%	0.638	S	S	.	*	S	Bend	trans	-93.3	19.4	175.7	53.8	0	0	0	0	113.8	V720	T141-V720 HydrophobicContact CG2-CG1 3.7Å
142	G	32.6	Very low	35.8	Very low	67 Å²	67	129.1 Å²	129.1	69%	0.691	66%	0.664	S	S	*	*			trans	-158.3	70.1	-173.5	0	0	0	0	0	115.3
143	S	35	Very low	35.5	Very low	125 Å²	125	134 Å²	134	87%	0.874	68%	0.684	S	S	*	*			trans	-119.2	139.8	166.5	-162	0	0	0	0	111.7
144	R	34.4	Very low	35.1	Very low	237 Å²	237	137.8 Å²	137.8	89%	0.894	70%	0.699	S	S	*	*			trans	-72.5	131.2	-157.1	-67.6	168.7	171.3	166.2	-5.2	113.8	S146	R144-S146 PolarHBondContact O-N 3.01Å
145	I	32.2	Very low	34.9	Very low	166 Å²	166	139 Å²	139	85%	0.851	71%	0.71	S	S	*	*			trans	-65.6	115.4	149.5	-64.5	170.8	0	0	0	107
146	S	36.6	Very low	34.6	Very low	106 Å²	106	143.7 Å²	143.7	74%	0.741	73%	0.729	S	S	*	*			trans	-93.5	115.1	170.6	-167.9	0	0	0	0	109	R144	R144-S146 PolarHBondContact O-N 3.01Å
147	Q	33.2	Very low	34.3	Very low	155 Å²	155	148.1 Å²	148.1	72%	0.724	75%	0.749	S	S	*	*			trans	-69	135.6	171.6	-68	176.4	-28.9	0	0	110.1
148	N	36.2	Very low	34.2	Very low	163 Å²	163	146.9 Å²	146.9	87%	0.872	76%	0.762	S	S	*	*			trans	-135.3	120	154.5	-97.9	-18.8	0	0	0	106.7
149	Q	30.4	Very low	34.1	Very low	168 Å²	168	141.2 Å²	141.2	79%	0.785	76%	0.762	S	S	*	*			trans	-102.9	125.6	178.6	-61.7	176.7	9.9	0	0	109.4
150	V	38.5	Very low	33.8	Very low	141 Å²	141	143.7 Å²	143.7	86%	0.855	77%	0.773	S	S	*	*			trans	-139.8	135.9	159.2	-177.8	0	0	0	0	105.7
151	P	35.1	Very low	33.7	Very low	122 Å²	122	145.2 Å²	145.2	79%	0.792	80%	0.798	S	S	*	*			trans	-91.3	173.2	-149.8	35.3	-38.3	0	0	0	116
152	Y	26	Very low	33.6	Very low	216 Å²	216	144.9 Å²	144.9	85%	0.847	81%	0.812	S	S	*	*			trans	-53.4	145.9	171.9	-82.4	-108.7	0	0	0	113.5
153	H	36.4	Very low	33.6	Very low	188 Å²	188	146.2 Å²	146.2	87%	0.87	81%	0.81	S	S	*	*			trans	-137.4	150.6	133.2	-115.5	-88.7	0	0	0	109
154	Q	29.4	Very low	33.7	Very low	156 Å²	156	148.3 Å²	148.3	73%	0.729	81%	0.81	S	S	*	*			trans	-91.6	155.6	172.4	-62.2	163.5	-115.7	0	0	109
155	D	33.8	Very low	33.8	Very low	141 Å²	141	145.3 Å²	145.3	75%	0.754	80%	0.799	S	S	*	*				161	133.9	118.1	-73.8	-25.1	0	0	0	114
156	E	33.5	Very low	34.1	Very low	178 Å²	178	146.1 Å²	146.1	83%	0.832	79%	0.792	S	S	*	*			trans	39.2	129.9	151	-51.6	-160.9	144.4	0	0	126
157	E	30.8	Very low	34.1	Very low	176 Å²	176	147.6 Å²	147.6	82%	0.822	79%	0.792	S	S	*	*			trans	45	132.6	138.1	-58.6	-148	131.7	0	0	126.2
158	S	32.2	Very low	34.2	Very low	122 Å²	122	143.4 Å²	143.4	85%	0.853	79%	0.79	S	S	*	*			trans	84.5	157.2	141.1	83.1	0	0	0	0	121.2
159	G	34.9	Very low	34.2	Very low	68 Å²	68	141 Å²	141	70%	0.701	79%	0.786	S	S	*	*			trans	94.5	88.4	175.6	0	0	0	0	0	115.3
160	V	34.5	Very low	34.7	Very low	144 Å²	144	139.3 Å²	139.3	87%	0.873	79%	0.787	S	S	*	*				91.6	117.1	55.7	175	0	0	0	0	115.2
161	S	33.2	Very low	35.3	Very low	125 Å²	125	138.2 Å²	138.2	87%	0.874	78%	0.783	S	S	*	*			trans	79.3	145.1	158.5	-155.9	0	0	0	0	120.6
162	G	35.9	Very low	35.5	Very low	79 Å²	79	138.2 Å²	138.2	81%	0.814	78%	0.783	S	S	*	*			trans	159.2	49.2	179.8	0	0	0	0	0	115.6
163	S	33.5	Very low	36.2	Very low	94 Å²	94	133.6 Å²	133.6	66%	0.657	78%	0.782	S	S	*	*			trans	-97.3	136.7	-170.1	157.8	0	0	0	0	114.9
164	I	37.6	Very low	36.5	Very low	170 Å²	170	130.7 Å²	130.7	87%	0.872	78%	0.78	S	S	*	*			trans	-133.7	136.8	156.9	-62.9	-176.7	0	0	0	109.8
165	R	35.5	Very low	36.7	Very low	174 Å²	174	131.5 Å²	131.5	66%	0.657	79%	0.789	S	S	*	*			trans	-111.7	176.5	174.5	-53.9	176.4	-178.2	172.2	-4.3	108.8
166	Y	37.9	Very low	36.6	Very low	182 Å²	182	130.7 Å²	130.7	71%	0.714	79%	0.794	S	S	*	*			cis	-162	164.2	28.6	-85.9	-68.5	0	0	0	106.9
167	D	36.9	Very low	36.8	Very low	137 Å²	137	126 Å²	126	73%	0.733	79%	0.793	S	S	*	*			cis	-160.3	-156.7	-20	-155.9	-85.1	0	0	0	106.7
168	G	36.6	Very low	37	Very low	67 Å²	67	122.4 Å²	122.4	69%	0.691	79%	0.787	S	S	*	*			trans	-177.3	-10.8	174.6	0	0	0	0	0	120.5
169	S	36.3	Very low	37.1	Very low	112 Å²	112	124.1 Å²	124.1	78%	0.783	79%	0.785	S	S	*	*			trans	61.2	131.1	173.4	-63.1	0	0	0	0	120.3
170	V	40.2	Very low	37.4	Very low	134 Å²	134	125.4 Å²	125.4	81%	0.812	78%	0.781	S	S	*	*			trans	-135.8	141.6	169.9	174.5	0	0	0	0	109.4
171	P	50.8	Low	37.5	Very low	118 Å²	118	126.1 Å²	126.1	77%	0.766	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-91.3	134.9	171.7	33.9	-31.3	0	0	0	112.9
172	P	40.2	Very low	37.8	Very low	122 Å²	122	124.3 Å²	124.3	79%	0.792	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-101.3	170.5	-177.6	39	-36.2	0	0	0	114.9
173	S	41.2	Very low	37.9	Very low	119 Å²	119	128.3 Å²	128.3	83%	0.832	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-85.3	154.1	169.5	-44.1	0	0	0	0	112.9
174	P	42.3	Very low	38	Very low	127 Å²	127	127.1 Å²	127.1	83%	0.825	77%	0.771	S	S	*	*			trans	-127.5	177.5	158.3	37.3	-24.3	0	0	0	114.2
175	L	33.3	Very low	38	Very low	173 Å²	173	129.8 Å²	129.8	91%	0.906	77%	0.77	S	S	*	*			trans	-112.4	162	-166.5	-72	152.4	0	0	0	114.2
176	S	32.4	Very low	38.2	Very low	124 Å²	124	126.1 Å²	126.1	87%	0.867	77%	0.771	S	S	*	*			trans	0.4	134.9	155.7	-154	0	0	0	0	120.7
177	G	36.1	Very low	38.3	Very low	78 Å²	78	124.5 Å²	124.5	80%	0.804	77%	0.77	S	S	*	*			trans	-174.2	122.1	169	0	0	0	0	0	114.8
178	S	35.8	Very low	38.4	Very low	101 Å²	101	124.4 Å²	124.4	71%	0.706	77%	0.765	S	S	*	*			trans	-88.3	157.8	-162.5	-43.3	0	0	0	0	118.1
179	I	34.1	Very low	38.3	Very low	159 Å²	159	132 Å²	132	82%	0.815	77%	0.773	S	S	*	*			trans	75.3	149.5	134.2	-88.8	166.9	0	0	0	119.4
180	P	41	Very low	38.4	Very low	94 Å²	94	134.4 Å²	134.4	61%	0.61	77%	0.765	S	S	*	*			cis	-146.5	-164.6	-21.1	43.8	-24.4	0	0	0	116.9
181	I	36.6	Very low	38.3	Very low	159 Å²	159	134.9 Å²	134.9	82%	0.815	76%	0.758	S	S	*	*			trans	74.2	134.6	156.2	-71.9	170	0	0	0	116.6
182	S	38.6	Very low	37.6	Very low	87 Å²	87	134 Å²	134	61%	0.608	76%	0.755	S	S	*	*			cis	-159.9	155.9	-1.6	49.5	0	0	0	0	114.8
183	N	38.4	Very low	37.3	Very low	163 Å²	163	133 Å²	133	87%	0.872	75%	0.751	S	S	*	*			trans	57.5	134.2	148.9	-60.7	-5.9	0	0	0	121.5
184	G	36.8	Very low	37	Very low	69 Å²	69	135.9 Å²	135.9	71%	0.711	76%	0.756	S	S	*	*			cis	164.7	176.9	-6.3	0	0	0	0	0	114.9
185	R	36.9	Very low	36.6	Very low	226 Å²	226	133.6 Å²	133.6	85%	0.853	76%	0.756	S	S	*	*			trans	65.3	145.3	-179.5	-79.6	-176.3	161.7	158.5	-2.4	115.6
186	S	38.7	Very low	36.6	Very low	97 Å²	97	132.9 Å²	132.9	68%	0.678	75%	0.752	S	S	*	*			cis	-174.7	162	-1.8	44	0	0	0	0	109.4
187	E	40.2	Very low	36.7	Very low	148 Å²	148	134.6 Å²	134.6	69%	0.692	75%	0.746	S	S	*	*			cis	178.7	147.3	-22.9	-97.3	125.6	-131.4	0	0	104.1
188	E	39.1	Very low	36.6	Very low	135 Å²	135	136.5 Å²	136.5	63%	0.631	74%	0.738	S	S	*	*			cis	-158.5	-151.9	2.2	-153.9	-132.8	-112.8	0	0	109.7	R190	E188-R190 IonicContact OE1-CZ 3.78Å; E188-R190 IonicContact OE1-NH1 2.7Å; E188-R190 PolarHBondContact OE1-NH1 3.04Å; E188-R190 WeakPolarHBondContact OE2-CD 3.42Å; E188-R190 IonicContact OE2-CZ 3.59Å; E188-R190 IonicContact OE2-NE 3.79Å; E188-R190 IonicContact OE2-NH1 2.77Å; E188-R190 PolarHBondContact OE2-NH1 3.12Å
189	R	36.2	Very low	36.5	Very low	227 Å²	227	138.1 Å²	138.1	86%	0.857	74%	0.739	S	S	*	*			trans	73.5	101.6	169.7	-134	170.3	-164.5	174.4	4.6	118.1
190	R	38	Very low	36.3	Very low	163 Å²	163	137.3 Å²	137.3	62%	0.615	74%	0.735	S	S	*	*				84.3	138.6	53.3	-69.2	-176.6	149.4	115.4	-0.8	114.6	E188	E188-R190 IonicContact OE1-CZ 3.78Å; E188-R190 IonicContact OE1-NH1 2.7Å; E188-R190 PolarHBondContact OE1-NH1 3.04Å; E188-R190 WeakPolarHBondContact OE2-CD 3.42Å; E188-R190 IonicContact OE2-CZ 3.59Å; E188-R190 IonicContact OE2-NE 3.79Å; E188-R190 IonicContact OE2-NH1 2.77Å; E188-R190 PolarHBondContact OE2-NH1 3.12Å
191	E	36.6	Very low	36	Very low	143 Å²	143	141 Å²	141	67%	0.668	74%	0.744	S	S	*	*			cis	-160.6	153.5	-2.9	-118.9	155.1	-172.6	0	0	113.7
192	S	36.5	Very low	35.8	Very low	100 Å²	100	137.1 Å²	137.1	70%	0.699	73%	0.731	S	S	*	*			trans	2.2	159.8	146.1	54.4	0	0	0	0	123.3
193	S	35.3	Very low	35.6	Very low	102 Å²	102	141.1 Å²	141.1	71%	0.713	74%	0.74	S	S	*	*			cis	-177.2	152.1	-13.7	53.4	0	0	0	0	113.3
194	L	34	Very low	35.2	Very low	178 Å²	178	137.5 Å²	137.5	93%	0.932	73%	0.728	S	S	*	*			trans	19.1	134.3	140.8	-53.8	174.2	0	0	0	121.7
195	G	34.2	Very low	35.1	Very low	80 Å²	80	145.2 Å²	145.2	83%	0.825	74%	0.737	S	S	*	*			trans	-177.1	128.9	157.5	0	0	0	0	0	113.2
196	L	32.2	Very low	35.1	Very low	158 Å²	158	138.8 Å²	138.8	83%	0.827	73%	0.726	S	S	*	*			trans	-107	142	179	-58.7	106	0	0	0	112.1
197	H	35.3	Very low	35	Very low	160 Å²	160	138.1 Å²	138.1	74%	0.741	72%	0.722	S	S	*	*				170.1	140.8	108.6	-95.7	147.3	0	0	0	115.5
198	N	35.1	Very low	34.8	Very low	118 Å²	118	140.2 Å²	140.2	63%	0.631	73%	0.725	S	S	*	*			trans	48.7	118.5	134.9	-54.5	-13.2	0	0	0	122.9
199	N	32.1	Very low	34.7	Very low	135 Å²	135	140.8 Å²	140.8	72%	0.722	73%	0.727	S	S	*	*				80.2	120.7	125	-69.3	-8.6	0	0	0	123.3
200	L	31.4	Very low	34.8	Very low	141 Å²	141	135.9 Å²	135.9	74%	0.738	71%	0.714	S	S	*	*			trans	77.2	140.6	133.1	-77	162.6	0	0	0	120.7
201	H	34.9	Very low	34.6	Very low	171 Å²	171	138.8 Å²	138.8	79%	0.792	73%	0.725	S	S	*	*			trans	64	157.6	175.3	-64	-76.7	0	0	0	116.1
202	S	30.8	Very low	34.6	Very low	79 Å²	79	139.5 Å²	139.5	55%	0.552	73%	0.733	S	S	*	*			cis	-168.6	150.3	-30.8	-172.7	0	0	0	0	106.4
203	E	34.1	Very low	34.8	Very low	171 Å²	171	139.6 Å²	139.6	80%	0.799	73%	0.731	S	S	*	*			trans	61.2	168.1	169.7	-69.7	145	-112.3	0	0	116.3
204	S	31.4	Very low	34.9	Very low	87 Å²	87	141.3 Å²	141.3	61%	0.608	73%	0.732	S	S	*	*			cis	-166.9	172.9	-36.1	-89.9	0	0	0	0	108.2
205	Y	35.1	Very low	35.2	Very low	231 Å²	231	139.8 Å²	139.8	91%	0.906	73%	0.725	S	S	*	*			trans	70.6	147.6	171.5	-65.5	-81.2	0	0	0	116.3
206	S	35.7	Very low	35.2	Very low	90 Å²	90	138.9 Å²	138.9	63%	0.629	72%	0.715	S	S	*	*			cis	-160.5	152.8	-7.2	172.2	0	0	0	0	111.2
207	S	35.8	Very low	35.4	Very low	83 Å²	83	139.5 Å²	139.5	58%	0.58	71%	0.714	S	S	*	*			trans	61.8	147	153.1	48.4	0	0	0	0	118.4
208	Y	37	Very low	35.3	Very low	193 Å²	193	136.1 Å²	136.1	76%	0.757	71%	0.708	S	S	*	*			cis	-136.3	144.2	26.1	-77.5	-102.6	0	0	0	113.6
209	E	36.9	Very low	35.1	Very low	146 Å²	146	137.9 Å²	137.9	68%	0.682	72%	0.718	S	S	*	*			trans	39.6	145.4	130.8	-56.2	-162.5	94.4	0	0	122
210	Q	38.4	Very low	35	Very low	125 Å²	125	135.9 Å²	135.9	58%	0.584	72%	0.72	S	S	*	*			cis	-161.6	157.2	13.4	-138.6	178.5	57	0	0	112.8
211	R	33.8	Very low	34.9	Very low	224 Å²	224	136.7 Å²	136.7	85%	0.845	72%	0.724	S	S	*	*			trans	92.1	116.2	161.8	-58.8	175.5	-163.8	-154.7	2.6	119.4
212	L	36.4	Very low	34.9	Very low	157 Å²	157	135.4 Å²	135.4	82%	0.822	73%	0.728	S	S	*	*			trans	-98.2	-170.6	175.8	-74.9	164.4	0	0	0	109.8
213	P	40.6	Very low	35	Very low	103 Å²	103	135.4 Å²	135.4	67%	0.669	74%	0.741	S	S	*	*			cis	-136.6	168	5.7	26.7	-1.5	0	0	0	118.4
214	D	37.9	Very low	34.9	Very low	138 Å²	138	133.7 Å²	133.7	74%	0.738	75%	0.748	S	S	*	*			trans	25.1	141.5	132.8	-34.5	-31.1	0	0	0	119.7
215	D	39.9	Very low	34.9	Very low	146 Å²	146	132.5 Å²	132.5	78%	0.781	75%	0.748	S	S	*	*			cis	-147.4	-166.1	13.9	-157.4	33.9	0	0	0	109
216	G	34.5	Very low	34.8	Very low	60 Å²	60	132 Å²	132	62%	0.619	75%	0.745	S	S	*	*			cis	176.8	-154.2	13.6	0	0	0	0	0	118.2
217	H	36.5	Very low	34.5	Very low	171 Å²	171	134.2 Å²	134.2	79%	0.792	75%	0.745	S	S	*	*			trans	-89	115.2	-154.4	-81.7	-94.1	0	0	0	119.1
218	S	31.8	Very low	34.2	Very low	89 Å²	89	137.8 Å²	137.8	62%	0.622	75%	0.751	S	S	*	*				72	138.1	126.8	77.5	0	0	0	0	124.3
219	N	31.1	Very low	33.8	Very low	156 Å²	156	140.4 Å²	140.4	83%	0.834	76%	0.76	S	S	*	*			trans	85	127.5	144.5	-65	-27.2	0	0	0	123.2
220	A	30.1	Very low	33.6	Very low	92 Å²	92	139.1 Å²	139.1	76%	0.76	76%	0.757	S	S	*	*			trans	90.1	134.1	142	0	0	0	0	0	122.6
221	L	30.2	Very low	33.7	Very low	158 Å²	158	138.8 Å²	138.8	83%	0.827	77%	0.766	S	S	*	*			trans	56.7	123.8	153	-89.9	74	0	0	0	122.7
222	V	34.4	Very low	33.6	Very low	144 Å²	144	136.8 Å²	136.8	87%	0.873	77%	0.766	S	S	*	*				40.5	115.1	128.4	-175.1	0	0	0	0	119.1
223	G	32.7	Very low	33.6	Very low	80 Å²	80	139.6 Å²	139.6	83%	0.825	77%	0.772	S	S	*	*			trans	-165.4	157.2	167.1	0	0	0	0	0	114.3
224	S	31.7	Very low	33.3	Very low	135 Å²	135	138.3 Å²	138.3	94%	0.944	78%	0.777	S	S	*	*			trans	-131.9	145.3	-175.1	-173.6	0	0	0	0	112.1
225	G	32.2	Very low	33	Very low	61 Å²	61	141.6 Å²	141.6	63%	0.629	79%	0.788	S	S	*	*			trans	170.6	142.2	175.7	0	0	0	0	0	110
226	R	32.3	Very low	32.7	Very low	221 Å²	221	138.3 Å²	138.3	83%	0.834	79%	0.789	S	S	*	*			cis	66.7	132.7	41.5	-64.2	-168.9	-177.3	-122.3	10	112.5
227	E	30.1	Very low	32.5	Very low	136 Å²	136	144.1 Å²	144.1	64%	0.636	80%	0.8	S	S	*	*			cis	-165.8	179.5	-1.3	-128.6	158.8	-136.1	0	0	112.1
228	F	29.3	Very low	32.5	Very low	159 Å²	159	144 Å²	144	70%	0.697	80%	0.799	S	S	*	*			trans	80.9	140.3	151.2	-121.2	-105.7	0	0	0	122.2	N230	F228-N230 HydrophobicContact CD1-CB 4.02Å; F228-N230 HydrophobicContact CE1-CB 3.79Å
229	W	29.2	Very low	32.5	Very low	248 Å²	248	146.8 Å²	146.8	94%	0.939	80%	0.802	S	S	*	*			trans	-146.1	144.9	155.2	-101.3	97.9	0	0	0	107.6
230	N	32.5	Very low	32.5	Very low	119 Å²	119	146.7 Å²	146.7	64%	0.636	80%	0.801	S	S	*	*			trans	-147.5	135.6	-173.3	-157.7	41.7	0	0	0	111	F228	F228-N230 HydrophobicContact CD1-CB 4.02Å; F228-N230 HydrophobicContact CE1-CB 3.79Å
231	P	39.6	Very low	32.7	Very low	117 Å²	117	150.3 Å²	150.3	76%	0.76	81%	0.806	S	S	*	*			trans	-107.4	135.9	174.3	35.8	-27.9	0	0	0	113.1
232	E	33	Very low	33.1	Very low	182 Å²	182	147.5 Å²	147.5	85%	0.85	80%	0.797	S	S	*	*			trans	-89.5	156.8	169.8	-57.6	-176.2	121.1	0	0	111.7
233	F	35.1	Very low	33.4	Very low	217 Å²	217	148.5 Å²	148.5	95%	0.952	79%	0.792	S	S	*	*				-179.5	147	129.7	-111.3	-72.6	0	0	0	112.5
234	G	35	Very low	33.6	Very low	75 Å²	75	151.6 Å²	151.6	77%	0.773	79%	0.785	S	S	*	*			trans	102.1	121.1	156.9	0	0	0	0	0	116.9
235	Q	31.3	Very low	33.9	Very low	207 Å²	207	151.5 Å²	151.5	97%	0.967	77%	0.774	S	S	*	*			trans	-109.3	153.5	174.3	-63.5	176	-4.2	0	0	111.2
236	G	34.2	Very low	34.2	Very low	77 Å²	77	155.7 Å²	155.7	79%	0.794	78%	0.781	S	S	*	*			trans	176.7	133	169.8	0	0	0	0	0	112
237	Q	29.9	Very low	34.5	Very low	183 Å²	183	149.9 Å²	149.9	86%	0.855	77%	0.772	S	S	*	*			trans	-123.8	144.8	-175.4	-59.7	175.3	-0.9	0	0	110.7
238	H	36.5	Very low	34.5	Very low	167 Å²	167	151.7 Å²	151.7	77%	0.773	78%	0.781	S	S	*	*				-172.5	170.5	129	-114.9	-93.6	0	0	0	112.8
239	E	32.3	Very low	35	Very low	148 Å²	148	151 Å²	151	69%	0.692	79%	0.789	S	S	*	*			trans	-44.9	142.8	-174.8	-70.8	149.7	131.9	0	0	116.8
240	L	30.9	Very low	35.3	Very low	155 Å²	155	144.1 Å²	144.1	81%	0.812	78%	0.779	S	S	*	*				73.3	112	57.5	-75.3	171.1	0	0	0	115.5
241	I	34.5	Very low	35.6	Very low	168 Å²	168	144.2 Å²	144.2	86%	0.862	79%	0.786	S	S	*	*			trans	-175.7	127.4	133.7	-92.7	151.6	0	0	0	108.7
242	P	38.9	Very low	35.6	Very low	98 Å²	98	144.6 Å²	144.6	64%	0.636	79%	0.786	S	S	*	*			trans	-114.2	166.2	174.3	39.9	-32.1	0	0	0	113.3
243	H	39.9	Very low	35.8	Very low	166 Å²	166	145.3 Å²	145.3	77%	0.769	79%	0.786	S	S	*	*			trans	-178.3	141.2	142.7	-99.4	-46.7	0	0	0	115.9
244	Q	38	Very low	36.1	Very low	144 Å²	144	144.4 Å²	144.4	67%	0.673	78%	0.782	S	S	*	*			trans	71.8	118	141.6	-66.4	179.7	58.6	0	0	119
245	N	36.2	Very low	36.2	Very low	134 Å²	134	147 Å²	147	72%	0.717	78%	0.783	S	S	*	*				91.8	148.5	75.3	-73.7	-4.3	0	0	0	112.4
246	L	39.5	Very low	36.3	Very low	148 Å²	148	144.5 Å²	144.5	78%	0.775	78%	0.775	S	S	*	*			cis	-155.8	-168.3	1.2	-114.3	169.8	0	0	0	109.2
247	P	39.1	Very low	36.5	Very low	99 Å²	99	146.7 Å²	146.7	64%	0.643	78%	0.778	S	S	*	*				-132	-175.7	-129.8	47.8	-30.3	0	0	0	119.4
248	E	30.2	Very low	37.1	Very low	175 Å²	175	146.8 Å²	146.8	82%	0.818	78%	0.776	S	S	*	*			trans	53.1	121.6	136.8	-174.3	175	-160.6	0	0	123.6
249	V	40.1	Very low	36.9	Very low	145 Å²	145	146 Å²	146	88%	0.879	78%	0.777	S	S	*	*			trans	-147.5	154.2	141.8	-175.9	0	0	0	0	110.5
250	S	34.2	Very low	37.4	Very low	103 Å²	103	149.1 Å²	149.1	72%	0.72	79%	0.788	S	S	*	*			trans	-95.2	169.6	-168.8	62.5	0	0	0	0	117.2
251	P	39.3	Very low	37.8	Very low	120 Å²	120	145.9 Å²	145.9	78%	0.779	78%	0.784	S	S	*	*			trans	-114.6	148.7	-171.8	39.6	-31.1	0	0	0	117.1
252	T	39.4	Very low	38.1	Very low	125 Å²	125	142.7 Å²	142.7	77%	0.767	78%	0.777	S	S	*	*			trans	-147.2	114.8	170	57.1	0	0	0	0	117.9
253	K	37.9	Very low	38.3	Very low	197 Å²	197	147.7 Å²	147.7	86%	0.857	79%	0.789	S	S	*	*			trans	57.8	151.7	131.3	-60.9	173.8	-178.3	170.1	0	122.9
254	K	41	Very low	38.5	Very low	198 Å²	198	151.1 Å²	151.1	86%	0.861	80%	0.795	S	S	*	*			trans	83.5	119.5	175	-55.2	175.6	-177	174.9	0	114
255	V	36	Very low	38.8	Very low	130 Å²	130	155.3 Å²	155.3	79%	0.788	80%	0.804	S	S	*	*			cis	98.6	120.4	25.9	178.5	0	0	0	0	114
256	L	35.1	Very low	39.1	Very low	154 Å²	154	160.4 Å²	160.4	81%	0.806	81%	0.814	S	S	*	*			trans	62	107.7	164.7	-76.3	167.3	0	0	0	120.1
257	S	38.2	Very low	39.3	Very low	124 Å²	124	163.2 Å²	163.2	87%	0.867	82%	0.82	S	S	*	*				-150.5	161.9	125.9	65.6	0	0	0	0	110
258	K	41.9	Very low	39.3	Very low	184 Å²	184	164.1 Å²	164.1	80%	0.8	83%	0.825	S	S	*	*			trans	-109.2	154.2	-176.2	-70.9	177.7	179	174.4	0	111.4
259	L	32.9	Very low	39.6	Very low	151 Å²	151	165.7 Å²	165.7	79%	0.791	83%	0.83	S	S	*	*			trans	8.8	128.8	147.8	-70.7	157.8	0	0	0	117.7
260	F	41.4	Very low	39.7	Very low	213 Å²	213	163.3 Å²	163.3	93%	0.934	83%	0.825	S	S	*	*				-171.1	175.2	123.6	-93.7	-54.1	0	0	0	112.1
261	A	39.5	Very low	39.8	Very low	87 Å²	87	167.3 Å²	167.3	72%	0.719	83%	0.832	S	S	*	*			trans	70.5	71.8	158.6	0	0	0	0	0	120.4
262	S	42.5	Very low	40.1	Very low	102 Å²	102	167.2 Å²	167.2	71%	0.713	83%	0.829	S	S	*	*				21.9	130.4	119.9	59.9	0	0	0	0	121.7
263	F	42.4	Very low	40.1	Very low	202 Å²	202	166.1 Å²	166.1	89%	0.886	83%	0.826	S	S	*	*			trans	59.4	110.4	144.3	-81.2	-106.6	0	0	0	120.3
264	R	44.2	Very low	40.5	Very low	238 Å²	238	164.7 Å²	164.7	90%	0.898	82%	0.823	S	S	*	*			trans	-163.5	109.5	133.1	-108.3	161.7	-154.8	-150.5	5.8	115.6
265	R	44.6	Very low	40.6	Very low	232 Å²	232	163.2 Å²	163.2	88%	0.875	82%	0.823	S	S	*	*			trans	42.6	108.1	138	-60	179	178.3	175.3	-1.5	121.4
266	R	41	Very low	41.1	Very low	242 Å²	242	162.6 Å²	162.6	91%	0.913	82%	0.819	S	S	*	*				44.9	123	128.9	-63.1	-177.9	176	-176.1	-2	120.9
267	K	45	Very low	41.5	Very low	207 Å²	207	164.1 Å²	164.1	90%	0.9	82%	0.819	S	S	*	*				-166.5	150.4	110.6	-103.6	173.3	-177.3	-177.7	0	111.1
268	P	37.6	Very low	41.6	Very low	117 Å²	117	164.5 Å²	164.5	76%	0.76	82%	0.819	S	S	*	*			trans	-111.7	179.9	-176.8	41.6	-34.4	0	0	0	114.7
269	K	37.4	Very low	42	Very low	209 Å²	209	159.4 Å²	159.4	91%	0.909	81%	0.807	S	S	*	*			trans	95	103.9	172.5	-59.8	-173.2	177.6	-173.6	0	117.3
270	A	41.4	Very low	43.1	Very low	95 Å²	95	158.5 Å²	158.5	79%	0.785	80%	0.802	S	S	*	*				-164	141.2	127.3	0	0	0	0	0	108.2
271	H	38.2	Very low	44.7	Very low	186 Å²	186	152.6 Å²	152.6	86%	0.861	78%	0.781	S	S	*	*			trans	-101.3	111.4	178.5	-165	-85.7	0	0	0	108.6
272	V	45	Very low	46.7	Very low	118 Å²	118	151.8 Å²	151.8	72%	0.715	77%	0.769	S	S	*	*			trans	-123.2	114.3	175.7	180	0	0	0	0	108.1	Q274	V272-Q274 PolarHBondContact O-N 3.42Å; V272-Q274 VanDerWaalsContact O-N 3.08Å
273	S	39.7	Very low	48.7	Very low	102 Å²	102	147.7 Å²	147.7	71%	0.713	74%	0.74	S	S	*	*			trans	-68.8	98.4	176	30.1	0	0	0	0	110.2	I275	S273-I275 PolarHBondContact O-N 3.01Å
274	Q	45.5	Very low	51	Low	167 Å²	167	141.1 Å²	141.1	78%	0.78	72%	0.719	S	S	*	*			trans	-73	112.9	168.3	-70.2	-170.3	-14.3	0	0	109.3	V272 T276	V272-Q274 PolarHBondContact O-N 3.42Å; V272-Q274 VanDerWaalsContact O-N 3.08Å; Q274-T276 VanDerWaalsContact C-N 3.32Å; Q274-T276 PolarHBondContact O-N 3.27Å
275	I	42.4	Very low	53.3	Low	168 Å²	168	130 Å²	130	86%	0.862	68%	0.678	S	S	*	*			trans	-69.4	93.8	167.4	-60.1	173.7	0	0	0	107	S273 K277	S273-I275 PolarHBondContact O-N 3.01Å; I275-K277 PolarHBondContact O-N 3.29Å
276	T	46.4	Very low	55.6	Low	117 Å²	117	120 Å²	120	72%	0.718	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-71.3	125.3	174.5	48.8	0	0	0	0	109.4	Q274	Q274-T276 VanDerWaalsContact C-N 3.32Å; Q274-T276 PolarHBondContact O-N 3.27Å
277	K	45	Very low	58.2	Low	186 Å²	186	108.5 Å²	108.5	81%	0.809	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-52.3	144.2	171.3	-59.9	-179.5	179.9	-175.4	0	110.1	I275 S279	I275-K277 PolarHBondContact O-N 3.29Å; K277-S279 PolarHBondContact O-N 3.06Å
278	P	40.4	Very low	60.5	Low	131 Å²	131	99 Å²	99	85%	0.851	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-57.8	130.7	169	26.8	-33.7	0	0	0	108.5
279	S	48.9	Very low	63.2	Low	78 Å²	78	93.5 Å²	93.5	55%	0.545	52%	0.523	S	S	.	.			trans	-114.6	129.2	179.9	54.7	0	0	0	0	109.2	K277 N281	K277-S279 PolarHBondContact O-N 3.06Å; S279-N281 PolarHBondContact O-N 2.76Å; S279-N281 PolarHBondContact OG-ND2 3.23Å
280	D	57.8	Low	65.7	Low	131 Å²	131	84.1 Å²	84.1	70%	0.701	48%	0.483	S	S	*	.			trans	-74.1	57	179.9	-60.6	-49.1	0	0	0	112.3	R301	D280-R301 PolarHBondContact O-NE 2.96Å; D280-R301 PolarHBondContact O-NH2 3.37Å
281	N	74.4	Confident	67.9	Low	90 Å²	90	80.7 Å²	80.7	48%	0.481	45%	0.451	S	S	.	.			trans	-87.1	-8.7	176.9	-74.1	-13.1	0	0	0	112.5	S279 S300 R301	S279-N281 PolarHBondContact O-N 2.76Å; S279-N281 PolarHBondContact OG-ND2 3.23Å; N281-S300 WeakPolarHBondContact O-CA 3.26Å; N281-R301 WeakPolarHBondContact O-CG 3.43Å; N281-R301 PolarHBondContact O-N 3.01Å
282	S	80.3	Confident	70.2	Confident	69 Å²	69	72.4 Å²	72.4	48%	0.483	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	169.2	169.6	55.1	0	0	0	0	112	L299	S282-L299 CarbonylContact C-O 3.53Å; S282-L299 VanDerWaalsContact C-O 3.29Å; S282-L299 VanDerWaalsContact CA-O 3.26Å; S282-L299 WeakPolarHBondContact CA-O 3.39Å
283	T	85.7	Confident	72.2	Confident	17 Å²	17	70.5 Å²	70.5	10%	0.104	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165	117.1	-174	-96.3	0	0	0	0	107.8	V285 L299 R355	T283-V285 HydrophobicContact CG2-CG2 3.97Å; T283-L299 PolarHBondContact N-O 2.97Å; T283-L299 PolarHBondContact O-N 3.49Å; T283-R355 VanDerWaalsContact CG2-CZ 3.41Å; T283-R355 PolarHBondContact OG1-NH1 3.14Å; T283-R355 PolarHBondContact OG1-NH2 3.48Å
284	S	89.9	Confident	74.7	Confident	63 Å²	63	71.9 Å²	71.9	44%	0.441	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	142	171.1	47.9	0	0	0	0	110.7	F297 R355	S284-F297 WeakPolarHBondContact CA-O 3.17Å; S284-R355 WeakPolarHBondContact O-CD 3.23Å
285	V	92.4	Very high	76.9	Confident	4 Å²	4	64.8 Å²	64.8	2%	0.024	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	131	176.1	178.6	0	0	0	0	108	T283 V296 F297 L299 L308 R355 F357	T283-V285 HydrophobicContact CG2-CG2 3.97Å; V285-V296 WeakPolarHBondContact O-CA 3.46Å; V285-F297 PolarHBondContact N-O 3.1Å; V285-F297 PolarHBondContact O-N 3.13Å; V285-L299 HydrophobicContact CB-CD1 4.43Å; V285-L299 HydrophobicContact CG2-CD1 3.86Å; V285-L299 HydrophobicContact CG2-CG 4.34Å; V285-L308 HydrophobicContact CG1-CD1 4.42Å; V285-L308 HydrophobicContact CG1-CD2 3.75Å; V285-R355 HydrophobicContact CG2-CB 4.39Å; V285-F357 HydrophobicContact CG1-CD2 3.34Å; V285-F357 HydrophobicContact CG1-CE2 3.5Å; V285-F357 VanDerWaalsContact CG1-CE2 3.5Å
286	C	94.3	Very high	79.4	Confident	24 Å²	24	61.5 Å²	61.5	16%	0.162	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	138.5	174.1	-173	0	0	0	0	110	L295 R355 L356 F357	C286-L295 CarbonylContact C-O 3.42Å; C286-L295 WeakPolarHBondContact CA-O 3.47Å; C286-R355 PolarHBondContact N-O 3.46Å; C286-L356 HydrophobicContact CB-CD1 3.78Å; C286-F357 PolarHBondContact O-N 3.3Å
287	V	95	Very high	81.7	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.4	172	-177.3	0	0	0	0	107.8	M289 L295 F297 L308 V312 L326 F357 F359	V287-M289 HydrophobicContact CG1-SD 3.78Å; V287-L295 PolarHBondContact N-O 3.49Å; V287-L295 PolarHBondContact O-N 2.75Å; V287-F297 HydrophobicContact CB-CD2 4.35Å; V287-F297 HydrophobicContact CB-CE2 4.07Å; V287-F297 HydrophobicContact CG2-CD2 3.77Å; V287-F297 HydrophobicContact CG2-CE2 3.87Å; V287-L308 HydrophobicContact CG2-CD1 3.91Å; V287-L308 HydrophobicContact CG2-CD2 4.31Å; V287-L308 HydrophobicContact CG2-CG 4.33Å; V287-V312 HydrophobicContact CB-CG2 4.33Å; V287-V312 HydrophobicContact CG1-CG2 4.09Å; V287-V312 HydrophobicContact CG2-CG2 3.95Å; V287-L326 HydrophobicContact CG1-CD2 3.53Å; V287-L326 HydrophobicContact CG2-CD2 4.31Å; V287-F357 CarbonylContact C-O 3.55Å; V287-F357 VanDerWaalsContact CA-O 3.32Å; V287-F357 WeakPolarHBondContact CA-O 3.42Å; V287-F357 HydrophobicContact CG2-CB 4.28Å; V287-F359 HydrophobicContact CG1-CB 4.26Å
288	I	93.2	Very high	84	Confident	7 Å²	7	53.7 Å²	53.7	4%	0.036	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	129.2	169.8	-29.5	-168.9	0	0	0	109.8	E293 E294 L356 F357 Y358 F359 A617	I288-E293 WeakPolarHBondContact CA-O 3.46Å; I288-E294 HydrophobicContact CD1-CG 4.48Å; I288-E294 HydrophobicContact CG1-CG 4.27Å; I288-E294 HydrophobicContact CG2-CG 3.97Å; I288-L356 HydrophobicContact CD1-CD1 4Å; I288-L356 HydrophobicContact CG1-CD1 3.72Å; I288-F357 PolarHBondContact N-O 3.47Å; I288-Y358 HydrophobicContact CB-CD1 4.07Å; I288-Y358 HydrophobicContact CD1-CD1 3.97Å; I288-Y358 HydrophobicContact CD1-CE1 3.54Å; I288-Y358 HydrophobicContact CG1-CD1 3.98Å; I288-Y358 HydrophobicContact CG1-CE1 4Å; I288-Y358 WeakPolarHBondContact O-CA 3.14Å; I288-F359 PolarHBondContact O-N 3.06Å; I288-A617 HydrophobicContact CG2-CB 4.36Å; I288-A617 WeakPolarHBondContact CG2-O 3.47Å
289	M	93.3	Very high	86.5	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.01	27%	0.269	C	S	.	.			trans	-91.1	162.6	-176.1	-58.2	-54.6	-73.9	0	0	111.9	V287 D291 G292 E293 L295 V312 L316 F359 A617	V287-M289 HydrophobicContact CG1-SD 3.78Å; M289-D291 VanDerWaalsContact CB-OD1 3.26Å; M289-D291 WeakPolarHBondContact CB-OD1 3.11Å; M289-D291 PolarHBondContact O-N 3.14Å; M289-G292 PolarHBondContact O-N 3.18Å; M289-E293 HydrophobicContact CB-CB 4.1Å; M289-E293 WeakPolarHBondContact CB-O 3.29Å; M289-E293 HydrophobicContact CG-CB 4.19Å; M289-E293 WeakPolarHBondContact CG-O 3.16Å; M289-E293 PolarHBondContact N-O 2.72Å; M289-L295 HydrophobicContact CE-CD1 4.28Å; M289-L295 HydrophobicContact CG-CD1 3.63Å; M289-L295 HydrophobicContact CG-CG 3.9Å; M289-L295 HydrophobicContact SD-CD1 3.82Å; M289-V312 HydrophobicContact CE-CG1 3.66Å; M289-V312 HydrophobicContact SD-CG1 3.9Å; M289-L316 HydrophobicContact CE-CD1 3.51Å; M289-L316 HydrophobicContact CE-CD2 3.78Å; M289-L316 HydrophobicContact CE-CG 3.64Å; M289-F359 HydrophobicContact CE-CB 4.16Å; M289-F359 HydrophobicContact CE-CD1 3.91Å; M289-F359 HydrophobicContact CE-CE1 4.44Å; M289-F359 HydrophobicContact CE-CG 3.95Å; M289-F359 HydrophobicContact SD-CB 3.79Å; M289-F359 HydrophobicContact SD-CG 4.24Å; M289-A617 VanDerWaalsContact O-O 3.05Å
290	L	91.6	Very high	88.5	Confident	12 Å²	12	46.3 Å²	46.3	6%	0.063	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.9	-174.8	-73.3	169	0	0	0	114.2	F324 F359 V361 Q379 L382 Q383	L290-F324 HydrophobicContact CD1-CD1 4.4Å; L290-F324 HydrophobicContact CD1-CE1 4.2Å; L290-F359 HydrophobicContact CD1-CD1 3.91Å; L290-F359 HydrophobicContact CD1-CE1 4.07Å; L290-F359 WeakPolarHBondContact CD2-O 3.3Å; L290-F359 HydrophobicContact CG-CD1 4.03Å; L290-F359 WeakPolarHBondContact CG-O 3.32Å; L290-V361 HydrophobicContact CD1-CG2 4.44Å; L290-Q379 HydrophobicContact CD1-CB 4.44Å; L290-Q379 WeakPolarHBondContact CD1-O 3.48Å; L290-L382 HydrophobicContact CB-CB 3.92Å; L290-L382 HydrophobicContact CB-CD1 4.09Å; L290-Q383 HydrophobicContact CD1-CB 4.25Å; L290-Q383 HydrophobicContact CD2-CB 4.06Å
291	D	87.1	Confident	89.8	Confident	22 Å²	22	47.2 Å²	47.2	12%	0.118	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	5.9	175.9	64.5	-9.6	0	0	0	113.4	M289 E293 L382 R614	M289-D291 VanDerWaalsContact CB-OD1 3.26Å; M289-D291 WeakPolarHBondContact CB-OD1 3.11Å; M289-D291 PolarHBondContact O-N 3.14Å; D291-E293 PolarHBondContact OD1-N 2.92Å; D291-L382 HydrophobicContact CB-CD1 3.79Å; D291-R614 VanDerWaalsContact O-CB 3.28Å; D291-R614 WeakPolarHBondContact O-CB 3.47Å; D291-R614 PolarHBondContact O-NE 2.87Å; D291-R614 IonicContact OD1-NH2 3.64Å; D291-R614 IonicContact OD2-CZ 3.23Å; D291-R614 IonicContact OD2-NH2 3.92Å; D291-R614 PolarHBondContact OD2-NH2 3.01Å
292	G	85.6	Confident	90.5	Very high	12 Å²	12	47.9 Å²	47.9	12%	0.124	26%	0.255	C	S	.	.	S	Bend	trans	87.1	9.7	179.1	0	0	0	0	0	116.6	M289 A617	M289-G292 PolarHBondContact O-N 3.18Å; G292-A617 WeakPolarHBondContact CA-O 3.33Å
293	E	87.6	Confident	91.1	Very high	79 Å²	79	46.6 Å²	46.6	37%	0.369	24%	0.243	S	C	.	.			trans	-75.1	131.4	174.1	-156.3	161.6	150.8	0	0	112	I288 M289 D291 L295 R614	I288-E293 WeakPolarHBondContact CA-O 3.46Å; M289-E293 HydrophobicContact CB-CB 4.1Å; M289-E293 WeakPolarHBondContact CB-O 3.29Å; M289-E293 HydrophobicContact CG-CB 4.19Å; M289-E293 WeakPolarHBondContact CG-O 3.16Å; M289-E293 PolarHBondContact N-O 2.72Å; D291-E293 PolarHBondContact OD1-N 2.92Å; E293-L295 HydrophobicContact CG-CD2 3.96Å; E293-L295 HydrophobicContact CG-CG 4.34Å; E293-L295 WeakPolarHBondContact OE1-CD2 3.27Å; E293-R614 IonicContact OE2-CZ 3.59Å; E293-R614 IonicContact OE2-NH1 2.56Å; E293-R614 PolarHBondContact OE2-NH1 3.32Å; E293-R614 IonicContact OE2-NH2 2.68Å
294	E	91.6	Very high	91.5	Very high	130 Å²	130	48.6 Å²	48.6	61%	0.607	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	104.1	170.6	-74.6	-172.2	-163	0	0	109.9	I288	I288-E294 HydrophobicContact CD1-CG 4.48Å; I288-E294 HydrophobicContact CG1-CG 4.27Å; I288-E294 HydrophobicContact CG2-CG 3.97Å
295	L	93	Very high	91.7	Very high	19 Å²	19	45.6 Å²	45.6	10%	0.099	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125.5	-179.6	-65.3	-179.2	0	0	0	111.1	C286 V287 M289 E293 F297 N315	C286-L295 CarbonylContact C-O 3.42Å; C286-L295 WeakPolarHBondContact CA-O 3.47Å; V287-L295 PolarHBondContact N-O 3.49Å; V287-L295 PolarHBondContact O-N 2.75Å; M289-L295 HydrophobicContact CE-CD1 4.28Å; M289-L295 HydrophobicContact CG-CD1 3.63Å; M289-L295 HydrophobicContact CG-CG 3.9Å; M289-L295 HydrophobicContact SD-CD1 3.82Å; E293-L295 HydrophobicContact CG-CD2 3.96Å; E293-L295 HydrophobicContact CG-CG 4.34Å; E293-L295 WeakPolarHBondContact OE1-CD2 3.27Å; L295-F297 HydrophobicContact CB-CD2 4.28Å; L295-F297 HydrophobicContact CB-CE2 3.46Å; L295-F297 VanDerWaalsContact CB-CE2 3.46Å; L295-F297 HydrophobicContact CB-CZ 3.94Å; L295-F297 HydrophobicContact CD1-CE2 4.18Å; L295-F297 HydrophobicContact CD1-CZ 3.96Å; L295-F297 HydrophobicContact CG-CE2 4.49Å; L295-N315 WeakPolarHBondContact CD1-OD1 3.27Å
296	V	94.8	Very high	91.8	Very high	98 Å²	98	47.6 Å²	47.6	59%	0.594	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104	113.5	178.8	-176.9	0	0	0	0	110.8	V285	V285-V296 WeakPolarHBondContact O-CA 3.46Å
297	F	94.6	Very high	91.9	Very high	24 Å²	24	48.7 Å²	48.7	11%	0.105	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	150.3	178.1	-63	-86.8	0	0	0	111.3	S284 V285 V287 L295 L308 Q311 V312	S284-F297 WeakPolarHBondContact CA-O 3.17Å; V285-F297 PolarHBondContact N-O 3.1Å; V285-F297 PolarHBondContact O-N 3.13Å; V287-F297 HydrophobicContact CB-CD2 4.35Å; V287-F297 HydrophobicContact CB-CE2 4.07Å; V287-F297 HydrophobicContact CG2-CD2 3.77Å; V287-F297 HydrophobicContact CG2-CE2 3.87Å; L295-F297 HydrophobicContact CB-CD2 4.28Å; L295-F297 HydrophobicContact CB-CE2 3.46Å; L295-F297 VanDerWaalsContact CB-CE2 3.46Å; L295-F297 HydrophobicContact CB-CZ 3.94Å; L295-F297 HydrophobicContact CD1-CE2 4.18Å; L295-F297 HydrophobicContact CD1-CZ 3.96Å; L295-F297 HydrophobicContact CG-CE2 4.49Å; F297-L308 HydrophobicContact CB-CD1 3.77Å; F297-L308 HydrophobicContact CD2-CD1 3.76Å; F297-L308 HydrophobicContact CG-CD1 3.8Å; F297-Q311 HydrophobicContact CD1-CB 3.78Å; F297-Q311 HydrophobicContact CE1-CB 3.8Å; F297-V312 HydrophobicContact CD2-CG2 4.26Å; F297-V312 HydrophobicContact CE1-CG2 4.46Å; F297-V312 HydrophobicContact CE2-CG2 3.51Å; F297-V312 HydrophobicContact CZ-CB 4.39Å; F297-V312 HydrophobicContact CZ-CG2 3.63Å
298	Q	93.2	Very high	91.9	Very high	116 Å²	116	48.7 Å²	48.7	54%	0.542	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113.8	176.7	-67.1	-68.6	-10.7	0	0	109.4
299	L	91.2	Very high	92.1	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	156.9	-176.6	-56	-178.1	0	0	0	111.4	S282 T283 V285 D303 V307 L308 I345	S282-L299 CarbonylContact C-O 3.53Å; S282-L299 VanDerWaalsContact C-O 3.29Å; S282-L299 VanDerWaalsContact CA-O 3.26Å; S282-L299 WeakPolarHBondContact CA-O 3.39Å; T283-L299 PolarHBondContact N-O 2.97Å; T283-L299 PolarHBondContact O-N 3.49Å; V285-L299 HydrophobicContact CB-CD1 4.43Å; V285-L299 HydrophobicContact CG2-CD1 3.86Å; V285-L299 HydrophobicContact CG2-CG 4.34Å; L299-D303 HydrophobicContact CB-CB 4.43Å; L299-V307 HydrophobicContact CD2-CG1 4.25Å; L299-L308 HydrophobicContact CD1-CB 3.89Å; L299-L308 HydrophobicContact CD1-CD1 4.14Å; L299-L308 HydrophobicContact CD1-CD2 4.3Å; L299-L308 HydrophobicContact CD1-CG 4.32Å; L299-I345 HydrophobicContact CD1-CD1 3.43Å; L299-I345 VanDerWaalsContact CD1-CD1 3.43Å
300	S	91.2	Very high	92.2	Very high	48 Å²	48	51.9 Å²	51.9	34%	0.336	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	146.1	162.4	-179.6	0	0	0	0	110.5	N281 D302 D303	N281-S300 WeakPolarHBondContact O-CA 3.26Å; S300-D302 PolarHBondContact O-N 3.21Å; S300-D302 PolarHBondContact OG-N 2.91Å; S300-D303 WeakPolarHBondContact CB-OD2 3.45Å; S300-D303 PolarHBondContact N-OD2 3.27Å; S300-D303 WeakPolarHBondContact O-CB 3.35Å; S300-D303 PolarHBondContact O-N 3.4Å
301	R	85.5	Confident	92.4	Very high	150 Å²	150	54.1 Å²	54.1	57%	0.566	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-22.2	169	-67.9	175.3	-168	-132.9	7.5	113.3	D280 N281	D280-R301 PolarHBondContact O-NE 2.96Å; D280-R301 PolarHBondContact O-NH2 3.37Å; N281-R301 WeakPolarHBondContact O-CG 3.43Å; N281-R301 PolarHBondContact O-N 3.01Å
302	D	88.6	Confident	92.8	Very high	103 Å²	103	53 Å²	53	55%	0.551	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-2.1	-178	-89.9	-43	0	0	0	114.9	S300 K344	S300-D302 PolarHBondContact O-N 3.21Å; S300-D302 PolarHBondContact OG-N 2.91Å; D302-K344 VanDerWaalsContact O-CD 3.28Å; D302-K344 WeakPolarHBondContact O-CD 3.3Å; D302-K344 VanDerWaalsContact O-CE 3.23Å; D302-K344 WeakPolarHBondContact O-CE 3.18Å; D302-K344 PolarHBondContact O-NZ 2.98Å; D302-K344 IonicContact OD1-NZ 2.73Å; D302-K344 PolarHBondContact OD1-NZ 2.96Å
303	D	93.3	Very high	93.3	Very high	43 Å²	43	53 Å²	53	23%	0.23	27%	0.266	C	S	.	.			trans	-74	150.3	-174	-71	-20.9	0	0	0	114.1	L299 S300 V307 K344 I345	L299-D303 HydrophobicContact CB-CB 4.43Å; S300-D303 WeakPolarHBondContact CB-OD2 3.45Å; S300-D303 PolarHBondContact N-OD2 3.27Å; S300-D303 WeakPolarHBondContact O-CB 3.35Å; S300-D303 PolarHBondContact O-N 3.4Å; D303-V307 HydrophobicContact CB-CB 4.3Å; D303-V307 HydrophobicContact CB-CG2 4.36Å; D303-K344 VanDerWaalsContact O-CA 3.26Å; D303-K344 WeakPolarHBondContact O-CA 3.36Å; D303-I345 PolarHBondContact O-N 3.09Å
304	I	94.3	Very high	93.7	Very high	58 Å²	58	56.1 Å²	56.1	30%	0.297	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-92.9	157.3	176.2	62.4	170.9	0	0	0	111.3	Q306 V307 T343 K344	I304-Q306 HydrophobicContact CD1-CB 3.83Å; I304-Q306 HydrophobicContact CG1-CB 4Å; I304-Q306 PolarHBondContact O-N 3.2Å; I304-Q306 VanDerWaalsContact O-N 3.08Å; I304-V307 HydrophobicContact CG1-CG2 3.99Å; I304-V307 PolarHBondContact O-N 2.9Å; I304-T343 WeakPolarHBondContact CA-O 3.5Å; I304-K344 HydrophobicContact CG2-CG 4.12Å
305	G	93.6	Very high	93.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-56	-28.5	-178.4	0	0	0	0	0	114.4	V307 L308 F309 L341 T343	G305-V307 VanDerWaalsContact C-N 3.32Å; G305-V307 PolarHBondContact O-N 2.79Å; G305-L308 PolarHBondContact O-N 3.16Å; G305-F309 WeakPolarHBondContact O-CB 3.38Å; G305-F309 PolarHBondContact O-N 2.91Å; G305-L341 PolarHBondContact N-O 2.63Å; G305-T343 PolarHBondContact N-O 3.43Å; G305-T343 VanDerWaalsContact N-O 3.11Å
306	Q	94.9	Very high	93.7	Very high	47 Å²	47	54.9 Å²	54.9	22%	0.22	28%	0.277	C	S	.	.	H	α-helix	trans	-56.4	-41.4	173	-165.8	72.1	55	0	0	112.5	I304 L308 F309 D310 L341	I304-Q306 HydrophobicContact CD1-CB 3.83Å; I304-Q306 HydrophobicContact CG1-CB 4Å; I304-Q306 PolarHBondContact O-N 3.2Å; I304-Q306 VanDerWaalsContact O-N 3.08Å; Q306-L308 PolarHBondContact O-N 2.99Å; Q306-F309 PolarHBondContact O-N 3.26Å; Q306-D310 PolarHBondContact NE2-OD1 3.14Å; Q306-D310 WeakPolarHBondContact O-CB 3.32Å; Q306-D310 PolarHBondContact O-N 2.87Å; Q306-L341 HydrophobicContact CB-CB 4.19Å; Q306-L341 PolarHBondContact N-O 2.97Å
307	V	95.7	Very high	93.6	Very high	47 Å²	47	53.8 Å²	53.8	29%	0.285	27%	0.268	S	S	.	.	H	α-helix	trans	-63.7	-42.5	-176.5	179.7	0	0	0	0	111.2	L299 D303 I304 G305 Q311	L299-V307 HydrophobicContact CD2-CG1 4.25Å; D303-V307 HydrophobicContact CB-CB 4.3Å; D303-V307 HydrophobicContact CB-CG2 4.36Å; I304-V307 HydrophobicContact CG1-CG2 3.99Å; I304-V307 PolarHBondContact O-N 2.9Å; G305-V307 VanDerWaalsContact C-N 3.32Å; G305-V307 PolarHBondContact O-N 2.79Å; V307-Q311 VanDerWaalsContact O-CG 3.29Å; V307-Q311 WeakPolarHBondContact O-CG 3.45Å; V307-Q311 PolarHBondContact O-N 2.87Å; V307-Q311 VanDerWaalsContact O-N 3.14Å
308	L	95.8	Very high	93.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67.5	-42.6	175.5	-179.7	58.1	0	0	0	111.6	V285 V287 F297 L299 G305 Q306 Q311 V312 L326 L339 I345 F357	V285-L308 HydrophobicContact CG1-CD1 4.42Å; V285-L308 HydrophobicContact CG1-CD2 3.75Å; V287-L308 HydrophobicContact CG2-CD1 3.91Å; V287-L308 HydrophobicContact CG2-CD2 4.31Å; V287-L308 HydrophobicContact CG2-CG 4.33Å; F297-L308 HydrophobicContact CB-CD1 3.77Å; F297-L308 HydrophobicContact CD2-CD1 3.76Å; F297-L308 HydrophobicContact CG-CD1 3.8Å; L299-L308 HydrophobicContact CD1-CB 3.89Å; L299-L308 HydrophobicContact CD1-CD1 4.14Å; L299-L308 HydrophobicContact CD1-CD2 4.3Å; L299-L308 HydrophobicContact CD1-CG 4.32Å; G305-L308 PolarHBondContact O-N 3.16Å; Q306-L308 PolarHBondContact O-N 2.99Å; L308-Q311 PolarHBondContact O-N 2.96Å; L308-V312 HydrophobicContact CD1-CG2 4.4Å; L308-V312 VanDerWaalsContact O-CG2 3.3Å; L308-V312 WeakPolarHBondContact O-CG2 3.26Å; L308-V312 PolarHBondContact O-N 3.37Å; L308-L326 HydrophobicContact CB-CD1 4.26Å; L308-L326 HydrophobicContact CD2-CD1 3.86Å; L308-L326 HydrophobicContact CG-CD1 3.67Å; L308-L339 HydrophobicContact CD2-CD2 4.43Å; L308-I345 HydrophobicContact CB-CD1 3.94Å; L308-I345 HydrophobicContact CD2-CD1 4.1Å; L308-F357 HydrophobicContact CD2-CD2 4.02Å; L308-F357 HydrophobicContact CD2-CE2 4.31Å; L308-F357 HydrophobicContact CD2-CG 4.35Å
309	F	96.5	Very high	93.5	Very high	10 Å²	10	51 Å²	51	4%	0.044	25%	0.254	C	S	.	.	H	α-helix	trans	-64.5	-43.8	179.2	-173.5	-118.2	0	0	0	112	G305 Q306 Q311 V312 C313 A321 F324 L326 L341 F359	G305-F309 WeakPolarHBondContact O-CB 3.38Å; G305-F309 PolarHBondContact O-N 2.91Å; Q306-F309 PolarHBondContact O-N 3.26Å; F309-Q311 VanDerWaalsContact C-N 3.32Å; F309-Q311 PolarHBondContact O-N 2.99Å; F309-V312 PolarHBondContact O-N 2.95Å; F309-C313 PolarHBondContact O-N 3.08Å; F309-C313 PolarHBondContact O-SG 3.09Å; F309-C313 VanDerWaalsContact O-SG 3.42Å; F309-A321 HydrophobicContact CE1-CB 4.48Å; F309-A321 WeakPolarHBondContact CZ-O 3.23Å; F309-F324 HydrophobicContact CE2-CB 4.43Å; F309-F324 HydrophobicContact CZ-CB 4.45Å; F309-L326 HydrophobicContact CB-CD1 4.13Å; F309-L326 HydrophobicContact CD2-CD1 4.25Å; F309-L326 HydrophobicContact CD2-CG 4.1Å; F309-L341 HydrophobicContact CB-CD2 3.74Å; F309-L341 HydrophobicContact CD1-CD1 3.82Å; F309-L341 HydrophobicContact CD1-CD2 4.37Å; F309-L341 HydrophobicContact CE1-CD1 4.26Å; F309-L341 HydrophobicContact CG-CD1 4.34Å; F309-L341 HydrophobicContact CG-CD2 4.06Å; F309-F359 HydrophobicContact CE2-CE2 4.14Å
310	D	96.2	Very high	93.7	Very high	65 Å²	65	50.8 Å²	50.8	35%	0.348	25%	0.253	S	S	.	.	H	α-helix	trans	-61.7	-40.1	176.3	-66	-9.6	0	0	0	111.1	Q306 Q314	Q306-D310 PolarHBondContact NE2-OD1 3.14Å; Q306-D310 WeakPolarHBondContact O-CB 3.32Å; Q306-D310 PolarHBondContact O-N 2.87Å; D310-Q314 VanDerWaalsContact O-CB 3.27Å; D310-Q314 WeakPolarHBondContact O-CB 3.36Å; D310-Q314 WeakPolarHBondContact O-CG 3.35Å; D310-Q314 PolarHBondContact O-N 2.94Å; D310-Q314 PolarHBondContact O-NE2 3.24Å
311	Q	96.2	Very high	93.9	Very high	59 Å²	59	49.3 Å²	49.3	28%	0.276	24%	0.243	S	C	.	.	H	α-helix	trans	-65	-41.6	174.8	-74.5	176.4	13.9	0	0	112.5	F297 V307 L308 F309 Q314 N315	F297-Q311 HydrophobicContact CD1-CB 3.78Å; F297-Q311 HydrophobicContact CE1-CB 3.8Å; V307-Q311 VanDerWaalsContact O-CG 3.29Å; V307-Q311 WeakPolarHBondContact O-CG 3.45Å; V307-Q311 PolarHBondContact O-N 2.87Å; V307-Q311 VanDerWaalsContact O-N 3.14Å; L308-Q311 PolarHBondContact O-N 2.96Å; F309-Q311 VanDerWaalsContact C-N 3.32Å; F309-Q311 PolarHBondContact O-N 2.99Å; Q311-Q314 PolarHBondContact O-N 2.97Å; Q311-N315 WeakPolarHBondContact O-CB 3.45Å; Q311-N315 PolarHBondContact O-N 3.22Å
312	V	96.2	Very high	94.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.5	-46.1	176.1	171.5	0	0	0	0	111.1	V287 M289 F297 L308 F309 Q314 N315 L316 L326 F359	V287-V312 HydrophobicContact CB-CG2 4.33Å; V287-V312 HydrophobicContact CG1-CG2 4.09Å; V287-V312 HydrophobicContact CG2-CG2 3.95Å; M289-V312 HydrophobicContact CE-CG1 3.66Å; M289-V312 HydrophobicContact SD-CG1 3.9Å; F297-V312 HydrophobicContact CD2-CG2 4.26Å; F297-V312 HydrophobicContact CE1-CG2 4.46Å; F297-V312 HydrophobicContact CE2-CG2 3.51Å; F297-V312 HydrophobicContact CZ-CB 4.39Å; F297-V312 HydrophobicContact CZ-CG2 3.63Å; L308-V312 HydrophobicContact CD1-CG2 4.4Å; L308-V312 VanDerWaalsContact O-CG2 3.3Å; L308-V312 WeakPolarHBondContact O-CG2 3.26Å; L308-V312 PolarHBondContact O-N 3.37Å; F309-V312 PolarHBondContact O-N 2.95Å; V312-Q314 PolarHBondContact O-N 2.87Å; V312-N315 PolarHBondContact O-N 2.84Å; V312-L316 PolarHBondContact O-N 3.26Å; V312-L316 VanDerWaalsContact O-N 3.14Å; V312-L326 HydrophobicContact CG2-CD2 4.46Å; V312-F359 HydrophobicContact CG1-CD2 3.65Å; V312-F359 HydrophobicContact CG1-CE2 4.02Å; V312-F359 HydrophobicContact CG1-CG 4.26Å
313	C	95.5	Very high	94.7	Very high	12 Å²	12	39 Å²	39	8%	0.081	20%	0.199	C	C	.	.	H	α-helix	trans	-69.4	-31.2	178.9	-66.7	0	0	0	0	113	F309 D317 L318 A321	F309-C313 PolarHBondContact O-N 3.08Å; F309-C313 PolarHBondContact O-SG 3.09Å; F309-C313 VanDerWaalsContact O-SG 3.42Å; C313-D317 PolarHBondContact O-N 3.34Å; C313-D317 VanDerWaalsContact O-N 3.1Å; C313-L318 PolarHBondContact O-N 3.18Å; C313-A321 HydrophobicContact CB-CB 4.2Å
314	Q	94.6	Very high	94.9	Very high	144 Å²	144	37.2 Å²	37.2	67%	0.673	19%	0.189	S	C	*	.	H	α-helix	trans	-68.9	-39	171.1	-77.6	166	58.5	0	0	112.4	D310 Q311 V312 L316 D317	D310-Q314 VanDerWaalsContact O-CB 3.27Å; D310-Q314 WeakPolarHBondContact O-CB 3.36Å; D310-Q314 WeakPolarHBondContact O-CG 3.35Å; D310-Q314 PolarHBondContact O-N 2.94Å; D310-Q314 PolarHBondContact O-NE2 3.24Å; Q311-Q314 PolarHBondContact O-N 2.97Å; V312-Q314 PolarHBondContact O-N 2.87Å; Q314-L316 VanDerWaalsContact C-N 3.32Å; Q314-L316 PolarHBondContact O-N 3.06Å; Q314-D317 PolarHBondContact O-N 2.73Å
315	N	92.7	Very high	95	Very high	92 Å²	92	34.7 Å²	34.7	49%	0.492	18%	0.177	S	C	.	.	H	α-helix	trans	-64.1	-36.9	176	175	-95	0	0	0	112.3	L295 Q311 V312	L295-N315 WeakPolarHBondContact CD1-OD1 3.27Å; Q311-N315 WeakPolarHBondContact O-CB 3.45Å; Q311-N315 PolarHBondContact O-N 3.22Å; V312-N315 PolarHBondContact O-N 2.84Å
316	L	92.2	Very high	95.2	Very high	30 Å²	30	34.7 Å²	34.7	16%	0.157	18%	0.178	C	C	.	.	H	α-helix	trans	-77.5	-15.8	172.8	-71.8	-176.6	0	0	0	114.7	M289 V312 Q314 L318 F359 L375	M289-L316 HydrophobicContact CE-CD1 3.51Å; M289-L316 HydrophobicContact CE-CD2 3.78Å; M289-L316 HydrophobicContact CE-CG 3.64Å; V312-L316 PolarHBondContact O-N 3.26Å; V312-L316 VanDerWaalsContact O-N 3.14Å; Q314-L316 VanDerWaalsContact C-N 3.32Å; Q314-L316 PolarHBondContact O-N 3.06Å; L316-L318 HydrophobicContact CB-CB 4.03Å; L316-L318 HydrophobicContact CD1-CD2 4.33Å; L316-F359 HydrophobicContact CD1-CD1 4.36Å; L316-F359 HydrophobicContact CD1-CE1 3.69Å; L316-F359 HydrophobicContact CD1-CE2 4.48Å; L316-F359 HydrophobicContact CD1-CZ 3.77Å; L316-L375 WeakPolarHBondContact O-CD2 2.97Å
317	D	93.7	Very high	95.1	Very high	75 Å²	75	32.6 Å²	32.6	40%	0.401	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	46.6	-165.8	-171	17	0	0	0	113.4	C313 Q314 R602 P605	C313-D317 PolarHBondContact O-N 3.34Å; C313-D317 VanDerWaalsContact O-N 3.1Å; Q314-D317 PolarHBondContact O-N 2.73Å; D317-R602 PolarHBondContact O-NH1 3.44Å; D317-R602 IonicContact OD1-CZ 2.89Å; D317-R602 IonicContact OD1-NH1 2.68Å; D317-R602 PolarHBondContact OD1-NH1 2.86Å; D317-R602 IonicContact OD1-NH2 2.74Å; D317-R602 PolarHBondContact OD1-NH2 2.75Å; D317-R602 VanDerWaalsContact OD1-NH2 3.13Å; D317-R602 IonicContact OD2-CZ 2.75Å; D317-R602 IonicContact OD2-NH1 2.65Å; D317-R602 IonicContact OD2-NH2 2.62Å; D317-R602 PolarHBondContact OD2-NH2 3.05Å; D317-P605 HydrophobicContact CB-CB 4.21Å
318	L	93.8	Very high	94.9	Very high	13 Å²	13	31 Å²	31	7%	0.068	16%	0.157	C	C	.	.			trans	-95.2	114.4	-172.7	179.6	66.5	0	0	0	112.5	C313 L316 A321 F324 F359 L375	C313-L318 PolarHBondContact O-N 3.18Å; L316-L318 HydrophobicContact CB-CB 4.03Å; L316-L318 HydrophobicContact CD1-CD2 4.33Å; L318-A321 HydrophobicContact CD2-CB 4.46Å; L318-F324 HydrophobicContact CD1-CE2 4.18Å; L318-F324 HydrophobicContact CD2-CD2 3.71Å; L318-F324 HydrophobicContact CD2-CE2 3.84Å; L318-F324 HydrophobicContact CD2-CG 4.3Å; L318-F359 HydrophobicContact CD2-CZ 3.82Å; L318-L375 HydrophobicContact CB-CD2 4.19Å; L318-L375 HydrophobicContact CD1-CD2 4.04Å; L318-L375 HydrophobicContact CD1-CG 4.2Å
319	Y	92.6	Very high	94.5	Very high	70 Å²	70	32 Å²	32	28%	0.275	16%	0.163	S	C	.	.	S	Bend	trans	-79.8	-40.8	177.2	-171.9	-77.8	0	0	0	112.7	A321 E373 Y595 I600	Y319-A321 PolarHBondContact O-N 2.98Å; Y319-E373 VanDerWaalsContact CB-CD 3.44Å; Y319-E373 WeakPolarHBondContact CB-OE1 3.19Å; Y319-E373 WeakPolarHBondContact CB-OE2 3.33Å; Y319-E373 PolarHBondContact N-OE2 2.79Å; Y319-Y595 HydrophobicContact CD1-CE1 4.06Å; Y319-Y595 HydrophobicContact CE1-CE1 4.1Å; Y319-Y595 PolarHBondContact O-OH 3.48Å; Y319-I600 HydrophobicContact CD1-CD1 3.28Å; Y319-I600 HydrophobicContact CD1-CG1 3.84Å; Y319-I600 HydrophobicContact CD2-CG2 4.32Å; Y319-I600 HydrophobicContact CE1-CD1 3.49Å; Y319-I600 VanDerWaalsContact CE1-CD1 3.49Å; Y319-I600 HydrophobicContact CE1-CG1 3.58Å; Y319-I600 HydrophobicContact CG-CD1 3.99Å; Y319-I600 HydrophobicContact CG-CG1 4.44Å; Y319-I600 HydrophobicContact CG-CG2 4.33Å
320	E	94.6	Very high	93.9	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.162	C	C	.	.			trans	-83.1	42.3	-176.4	-60.1	-177.3	96.4	0	0	112.1	D322 Y323 Q372 E373 T376 Y595 I600	E320-D322 VanDerWaalsContact C-N 3.34Å; E320-D322 PolarHBondContact O-N 3.34Å; E320-Y323 HydrophobicContact CB-CD2 3.88Å; E320-Y323 HydrophobicContact CB-CE2 4.01Å; E320-Y323 WeakPolarHBondContact O-CD2 3.42Å; E320-Y323 PolarHBondContact O-N 2.93Å; E320-Q372 PolarHBondContact OE1-N 2.97Å; E320-Q372 PolarHBondContact OE2-N 3.16Å; E320-Q372 VanDerWaalsContact OE2-N 3.08Å; E320-E373 PolarHBondContact OE2-N 3.41Å; E320-T376 HydrophobicContact CB-CG2 3.66Å; E320-T376 HydrophobicContact CG-CG2 4.38Å; E320-T376 VanDerWaalsContact OE2-CB 3.25Å; E320-T376 WeakPolarHBondContact OE2-CB 3.43Å; E320-T376 PolarHBondContact OE2-OG1 3.13Å; E320-Y595 HydrophobicContact CB-CD1 4.42Å; E320-Y595 HydrophobicContact CB-CE1 4.06Å; E320-Y595 HydrophobicContact CG-CD1 3.98Å; E320-Y595 HydrophobicContact CG-CE1 3.93Å; E320-I600 HydrophobicContact CG-CD1 4.01Å
321	A	95	Very high	93	Very high	17 Å²	17	31.6 Å²	31.6	14%	0.14	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-61.1	-33	-169.4	0	0	0	0	0	114.6	F309 C313 L318 Y319 Y323 F324	F309-A321 HydrophobicContact CE1-CB 4.48Å; F309-A321 WeakPolarHBondContact CZ-O 3.23Å; C313-A321 HydrophobicContact CB-CB 4.2Å; L318-A321 HydrophobicContact CD2-CB 4.46Å; Y319-A321 PolarHBondContact O-N 2.98Å; A321-Y323 PolarHBondContact O-N 3.04Å; A321-Y323 VanDerWaalsContact O-N 3.13Å; A321-F324 WeakPolarHBondContact O-CB 3.44Å; A321-F324 PolarHBondContact O-N 2.74Å
322	D	95.4	Very high	92.1	Very high	31 Å²	31	36.4 Å²	36.4	17%	0.166	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-63.5	-19.9	-175.1	-67.2	-70.3	0	0	0	114.4	E320 F324 F363 F562 Y587 G589 R590 Y595	E320-D322 VanDerWaalsContact C-N 3.34Å; E320-D322 PolarHBondContact O-N 3.34Å; D322-F324 PolarHBondContact O-N 3.45Å; D322-F363 WeakPolarHBondContact O-CD2 3.35Å; D322-F363 WeakPolarHBondContact O-CE2 3.36Å; D322-F562 HydrophobicContact CB-CE2 4.19Å; D322-Y587 WeakPolarHBondContact CB-OH 3.39Å; D322-Y587 PolarHBondContact OD1-OH 2.78Å; D322-G589 WeakPolarHBondContact OD1-CA 3.31Å; D322-R590 VanDerWaalsContact CG-N 3.31Å; D322-R590 PolarHBondContact OD1-N 2.72Å; D322-R590 VanDerWaalsContact OD2-CB 3.28Å; D322-R590 WeakPolarHBondContact OD2-CB 3.49Å; D322-R590 PolarHBondContact OD2-N 3.06Å; D322-R590 VanDerWaalsContact OD2-N 3.15Å; D322-Y595 HydrophobicContact CB-CE2 3.79Å; D322-Y595 VanDerWaalsContact OD2-CE2 3.29Å; D322-Y595 WeakPolarHBondContact OD2-CE2 3.23Å; D322-Y595 PolarHBondContact OD2-OH 3Å
323	Y	96.6	Very high	91.3	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.016	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-66.7	-15.1	172.2	-67.5	-74.3	0	0	0	112.6	E320 A321 K362 F363 P365 L371 T376 F562 F592 Y595	E320-Y323 HydrophobicContact CB-CD2 3.88Å; E320-Y323 HydrophobicContact CB-CE2 4.01Å; E320-Y323 WeakPolarHBondContact O-CD2 3.42Å; E320-Y323 PolarHBondContact O-N 2.93Å; A321-Y323 PolarHBondContact O-N 3.04Å; A321-Y323 VanDerWaalsContact O-N 3.13Å; Y323-K362 WeakPolarHBondContact O-CA 3.41Å; Y323-K362 PolarHBondContact O-N 3.28Å; Y323-F363 HydrophobicContact CD1-CB 4.37Å; Y323-F363 WeakPolarHBondContact CD1-O 3.2Å; Y323-F363 PolarHBondContact O-N 3.14Å; Y323-P365 HydrophobicContact CE1-CB 4.14Å; Y323-L371 HydrophobicContact CD2-CD2 3.96Å; Y323-L371 HydrophobicContact CE1-CD2 4.12Å; Y323-L371 HydrophobicContact CE2-CD2 3.36Å; Y323-L371 VanDerWaalsContact CZ-CD2 3.46Å; Y323-T376 HydrophobicContact CD2-CG2 4.21Å; Y323-F562 AromaticContact CD1-CE1 3.89Å; Y323-F562 HydrophobicContact CD1-CE1 3.89Å; Y323-F562 AromaticContact CD1-CZ 3.6Å; Y323-F562 HydrophobicContact CD1-CZ 3.6Å; Y323-F562 AromaticContact CE1-CE1 3.77Å; Y323-F562 HydrophobicContact CE1-CE1 3.77Å; Y323-F562 AromaticContact CE1-CZ 3.5Å; Y323-F562 HydrophobicContact CE1-CZ 3.5Å; Y323-F562 HydrophobicContact CG-CZ 4.35Å; Y323-F592 HydrophobicContact CE1-CD2 4.3Å; Y323-Y595 HydrophobicContact CE2-CD2 4.4Å; Y323-Y595 HydrophobicContact CE2-CG 4.3Å
324	F	97.3	Very high	90.6	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.026	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	175.2	-173	-56.7	-95.2	0	0	0	112.2	L290 F309 L318 A321 D322 F359 Q360 V361 T376 Q379	L290-F324 HydrophobicContact CD1-CD1 4.4Å; L290-F324 HydrophobicContact CD1-CE1 4.2Å; F309-F324 HydrophobicContact CE2-CB 4.43Å; F309-F324 HydrophobicContact CZ-CB 4.45Å; L318-F324 HydrophobicContact CD1-CE2 4.18Å; L318-F324 HydrophobicContact CD2-CD2 3.71Å; L318-F324 HydrophobicContact CD2-CE2 3.84Å; L318-F324 HydrophobicContact CD2-CG 4.3Å; A321-F324 WeakPolarHBondContact O-CB 3.44Å; A321-F324 PolarHBondContact O-N 2.74Å; D322-F324 PolarHBondContact O-N 3.45Å; F324-F359 HydrophobicContact CB-CE1 4.4Å; F324-F359 HydrophobicContact CB-CE2 3.66Å; F324-F359 HydrophobicContact CB-CZ 3.57Å; F324-F359 HydrophobicContact CD1-CD1 4.44Å; F324-F359 AromaticContact CD1-CE1 3.52Å; F324-F359 HydrophobicContact CD1-CE1 3.52Å; F324-F359 HydrophobicContact CD1-CE2 4.34Å; F324-F359 AromaticContact CD1-CZ 3.46Å; F324-F359 HydrophobicContact CD1-CZ 3.46Å; F324-F359 VanDerWaalsContact CD1-CZ 3.46Å; F324-F359 HydrophobicContact CD2-CZ 4.26Å; F324-F359 HydrophobicContact CE1-CE1 4.01Å; F324-F359 HydrophobicContact CE1-CZ 4.2Å; F324-F359 HydrophobicContact CG-CE1 4.08Å; F324-F359 HydrophobicContact CG-CE2 4.14Å; F324-F359 AromaticContact CG-CZ 3.49Å; F324-F359 HydrophobicContact CG-CZ 3.49Å; F324-F359 VanDerWaalsContact CG-CZ 3.49Å; F324-Q360 CarbonylContact C-O 3.29Å; F324-Q360 WeakPolarHBondContact CA-O 3.45Å; F324-V361 HydrophobicContact CD1-CG2 3.89Å; F324-V361 HydrophobicContact CE1-CG2 3.62Å; F324-V361 HydrophobicContact CZ-CG2 4.48Å; F324-T376 HydrophobicContact CE2-CG2 3.96Å; F324-T376 HydrophobicContact CZ-CG2 4.22Å; F324-Q379 HydrophobicContact CE1-CB 3.68Å; F324-Q379 HydrophobicContact CZ-CB 3.72Å
325	G	96.3	Very high	90	Very high	5 Å²	5	35.7 Å²	35.7	5%	0.052	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	171.2	171.3	0	0	0	0	0	111.6	Q360	G325-Q360 PolarHBondContact N-O 3.02Å; G325-Q360 PolarHBondContact O-N 3.08Å
326	L	96.2	Very high	89.7	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	141.8	170.5	-68.7	165.9	0	0	0	110.2	V287 L308 F309 V312 L339 F357 F359	V287-L326 HydrophobicContact CG1-CD2 3.53Å; V287-L326 HydrophobicContact CG2-CD2 4.31Å; L308-L326 HydrophobicContact CB-CD1 4.26Å; L308-L326 HydrophobicContact CD2-CD1 3.86Å; L308-L326 HydrophobicContact CG-CD1 3.67Å; F309-L326 HydrophobicContact CB-CD1 4.13Å; F309-L326 HydrophobicContact CD2-CD1 4.25Å; F309-L326 HydrophobicContact CD2-CG 4.1Å; V312-L326 HydrophobicContact CG2-CD2 4.46Å; L326-L339 HydrophobicContact CB-CB 4.01Å; L326-L339 HydrophobicContact CB-CD2 3.91Å; L326-L339 HydrophobicContact CD1-CD2 3.88Å; L326-L339 WeakPolarHBondContact O-CB 3.26Å; L326-L339 PolarHBondContact O-N 2.96Å; L326-F357 HydrophobicContact CD2-CB 4.28Å; L326-F359 HydrophobicContact CD2-CB 4.29Å; L326-F359 HydrophobicContact CD2-CD2 4.45Å
327	T	94.1	Very high	89.6	Confident	3 Å²	3	33 Å²	33	2%	0.018	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	155.2	176.1	54.7	0	0	0	0	110.9	F337 W338 F357 Y358 Q360	T327-F337 CarbonylContact C-O 3.52Å; T327-F337 VanDerWaalsContact CA-O 3.22Å; T327-F337 WeakPolarHBondContact CA-O 3.36Å; T327-W338 HydrophobicContact CG2-CD2 3.71Å; T327-W338 HydrophobicContact CG2-CE3 3.34Å; T327-W338 HydrophobicContact CG2-CG 4.46Å; T327-W338 HydrophobicContact CG2-CH2 3.84Å; T327-W338 HydrophobicContact CG2-CZ2 4.19Å; T327-W338 HydrophobicContact CG2-CZ3 3.42Å; T327-W338 VanDerWaalsContact CG2-CZ3 3.42Å; T327-F357 CarbonylContact O-C 3.52Å; T327-F357 WeakPolarHBondContact O-CA 2.97Å; T327-Y358 PolarHBondContact N-O 2.85Å; T327-Y358 PolarHBondContact O-N 3.27Å; T327-Y358 PolarHBondContact OG1-O 2.56Å; T327-Q360 HydrophobicContact CG2-CB 4.49Å; T327-Q360 PolarHBondContact OG1-NE2 3.12Å
328	F	91.7	Very high	89.7	Confident	13 Å²	13	32 Å²	32	6%	0.057	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	157.1	171.1	66.1	-78.1	0	0	0	110.4	W336 F337 Q348 L349 F357	F328-W336 WeakPolarHBondContact O-CA 3.3Å; F328-F337 HydrophobicContact CD1-CB 4.36Å; F328-F337 HydrophobicContact CE1-CB 3.85Å; F328-F337 HydrophobicContact CE2-CB 4.45Å; F328-F337 HydrophobicContact CZ-CB 3.91Å; F328-F337 PolarHBondContact N-O 3.07Å; F328-F337 PolarHBondContact O-N 3.21Å; F328-Q348 HydrophobicContact CZ-CB 4.37Å; F328-L349 HydrophobicContact CD2-CD2 3.62Å; F328-L349 HydrophobicContact CE2-CD2 3.93Å; F328-L349 HydrophobicContact CG-CD2 4.08Å; F328-F357 HydrophobicContact CB-CD1 3.78Å; F328-F357 HydrophobicContact CB-CE1 3.76Å; F328-F357 HydrophobicContact CD1-CD1 4.35Å; F328-F357 AromaticContact CD1-CE1 3.89Å; F328-F357 HydrophobicContact CD1-CE1 3.89Å; F328-F357 HydrophobicContact CG-CD1 4.43Å; F328-F357 HydrophobicContact CG-CE1 4.01Å
329	V	87.2	Confident	89.7	Confident	21 Å²	21	31.6 Å²	31.6	13%	0.127	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	119.9	175.8	-178.4	0	0	0	0	108.9	N331 W336	V329-N331 PolarHBondContact O-N 3.4Å; V329-W336 HydrophobicContact CG2-CD2 3.77Å; V329-W336 HydrophobicContact CG2-CE3 3.79Å; V329-W336 HydrophobicContact CG2-CG 4.46Å; V329-W336 HydrophobicContact CG2-CH2 3.95Å; V329-W336 HydrophobicContact CG2-CZ2 3.91Å; V329-W336 HydrophobicContact CG2-CZ3 3.9Å
330	S	83.4	Confident	89.7	Confident	3 Å²	3	29.5 Å²	29.5	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	113.5	173	174	0	0	0	0	110.1	K332 I333 R334 T335 E353	S330-K332 PolarHBondContact O-N 3.43Å; S330-K332 VanDerWaalsContact O-N 3.12Å; S330-I333 PolarHBondContact O-N 3.41Å; S330-R334 WeakPolarHBondContact O-CA 3.36Å; S330-R334 PolarHBondContact O-N 2.9Å; S330-T335 PolarHBondContact N-O 3.42Å; S330-E353 WeakPolarHBondContact CA-OE1 3.41Å; S330-E353 VanDerWaalsContact CB-OE1 3.25Å; S330-E353 WeakPolarHBondContact CB-OE1 3.39Å; S330-E353 PolarHBondContact OG-OE1 3.5Å
331	N	78.6	Confident	89.7	Confident	63 Å²	63	31.4 Å²	31.4	34%	0.337	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.5	179.5	-79.5	-19.1	0	0	0	112.9	V329 N352 E353	V329-N331 PolarHBondContact O-N 3.4Å; N331-N352 PolarHBondContact ND2-O 2.98Å; N331-E353 HydrophobicContact CB-CG 4.03Å; N331-E353 PolarHBondContact N-OE1 3.37Å
332	K	77	Confident	89.4	Confident	160 Å²	160	35.7 Å²	35.7	70%	0.696	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-41.6	178.2	-179.3	171	-179.1	172.7	0	113.9	S330	S330-K332 PolarHBondContact O-N 3.43Å; S330-K332 VanDerWaalsContact O-N 3.12Å
333	I	78.2	Confident	89.2	Confident	36 Å²	36	36.8 Å²	36.8	19%	0.185	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-15.1	-172.3	-43.6	-177.7	0	0	0	111	S330 T335 F337 H547	S330-I333 PolarHBondContact O-N 3.41Å; I333-T335 VanDerWaalsContact C-N 3.31Å; I333-T335 WeakPolarHBondContact CG2-OG1 3.25Å; I333-T335 PolarHBondContact O-OG1 3.42Å; I333-F337 HydrophobicContact CB-CE2 4.41Å; I333-F337 HydrophobicContact CD1-CE2 4.11Å; I333-F337 HydrophobicContact CD1-CZ 3.93Å; I333-H547 HydrophobicContact CD1-CB 3.93Å
334	R	80.3	Confident	89	Confident	106 Å²	106	39.7 Å²	39.7	40%	0.4	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	46	-176.1	-61.1	-172.3	175.1	-84.2	-2.2	111.4	S330 M627 L632 N633	S330-R334 WeakPolarHBondContact O-CA 3.36Å; S330-R334 PolarHBondContact O-N 2.9Å; R334-M627 VanDerWaalsContact CD-SD 3.52Å; R334-M627 VanDerWaalsContact CZ-CE 3.48Å; R334-M627 VanDerWaalsContact CZ-SD 3.56Å; R334-M627 PolarHBondContact NH1-SD 3.49Å; R334-L632 HydrophobicContact CB-CD2 3.82Å; R334-N633 PolarHBondContact O-ND2 3.35Å
335	T	82.6	Confident	88.8	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	140.2	-171.6	-56.3	0	0	0	0	111	S330 I333 F337 L548 N633	S330-T335 PolarHBondContact N-O 3.42Å; I333-T335 VanDerWaalsContact C-N 3.31Å; I333-T335 WeakPolarHBondContact CG2-OG1 3.25Å; I333-T335 PolarHBondContact O-OG1 3.42Å; T335-F337 HydrophobicContact CG2-CD2 4.29Å; T335-F337 HydrophobicContact CG2-CE2 3.83Å; T335-F337 HydrophobicContact CG2-CZ 4.09Å; T335-F337 WeakPolarHBondContact O-CD2 3.35Å; T335-L548 HydrophobicContact CG2-CD2 4.03Å; T335-N633 HydrophobicContact CG2-CB 3.61Å; T335-N633 VanDerWaalsContact OG1-CG 3.23Å; T335-N633 PolarHBondContact OG1-ND2 3.07Å
336	W	86.7	Confident	88.4	Confident	28 Å²	28	42.6 Å²	42.6	11%	0.106	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	125.4	168.1	-61.2	90.8	0	0	0	111.7	F328 V329 Y358 R551 L632	F328-W336 WeakPolarHBondContact O-CA 3.3Å; V329-W336 HydrophobicContact CG2-CD2 3.77Å; V329-W336 HydrophobicContact CG2-CE3 3.79Å; V329-W336 HydrophobicContact CG2-CG 4.46Å; V329-W336 HydrophobicContact CG2-CH2 3.95Å; V329-W336 HydrophobicContact CG2-CZ2 3.91Å; V329-W336 HydrophobicContact CG2-CZ3 3.9Å; W336-Y358 HydrophobicContact CE3-CD2 4.45Å; W336-Y358 HydrophobicContact CH2-CD1 4.09Å; W336-Y358 AromaticContact CH2-CD2 3.98Å; W336-Y358 HydrophobicContact CH2-CD2 3.98Å; W336-Y358 HydrophobicContact CH2-CE1 4.11Å; W336-Y358 HydrophobicContact CH2-CE2 4.06Å; W336-Y358 AromaticContact CH2-CG 4Å; W336-Y358 HydrophobicContact CH2-CG 4Å; W336-Y358 HydrophobicContact CZ3-CD1 4.19Å; W336-Y358 AromaticContact CZ3-CD2 3.42Å; W336-Y358 HydrophobicContact CZ3-CD2 3.42Å; W336-Y358 VanDerWaalsContact CZ3-CD2 3.42Å; W336-Y358 HydrophobicContact CZ3-CE1 4.5Å; W336-Y358 AromaticContact CZ3-CE2 3.85Å; W336-Y358 HydrophobicContact CZ3-CE2 3.85Å; W336-Y358 AromaticContact CZ3-CG 3.62Å; W336-Y358 HydrophobicContact CZ3-CG 3.62Å; W336-R551 PolarHBondContact O-NE 2.81Å; W336-R551 PolarHBondContact O-NH2 3.45Å; W336-L632 PolarHBondContact NE1-O 2.88Å
337	F	91.2	Very high	88	Confident	38 Å²	38	50.6 Å²	50.6	17%	0.167	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.2	170.4	-72.2	-87.4	0	0	0	110.4	T327 F328 I333 T335 R551	T327-F337 CarbonylContact C-O 3.52Å; T327-F337 VanDerWaalsContact CA-O 3.22Å; T327-F337 WeakPolarHBondContact CA-O 3.36Å; F328-F337 HydrophobicContact CD1-CB 4.36Å; F328-F337 HydrophobicContact CE1-CB 3.85Å; F328-F337 HydrophobicContact CE2-CB 4.45Å; F328-F337 HydrophobicContact CZ-CB 3.91Å; F328-F337 PolarHBondContact N-O 3.07Å; F328-F337 PolarHBondContact O-N 3.21Å; I333-F337 HydrophobicContact CB-CE2 4.41Å; I333-F337 HydrophobicContact CD1-CE2 4.11Å; I333-F337 HydrophobicContact CD1-CZ 3.93Å; T335-F337 HydrophobicContact CG2-CD2 4.29Å; T335-F337 HydrophobicContact CG2-CE2 3.83Å; T335-F337 HydrophobicContact CG2-CZ 4.09Å; T335-F337 WeakPolarHBondContact O-CD2 3.35Å; F337-R551 HydrophobicContact CD1-CG 4.28Å; F337-R551 HydrophobicContact CE1-CB 4.11Å; F337-R551 HydrophobicContact CE1-CG 4.2Å
338	W	94.2	Very high	87.8	Confident	52 Å²	52	52 Å²	52	20%	0.197	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	138.8	167.6	-67.3	104.4	0	0	0	110.1	T327 D340 Q360 V361 K362	T327-W338 HydrophobicContact CG2-CD2 3.71Å; T327-W338 HydrophobicContact CG2-CE3 3.34Å; T327-W338 HydrophobicContact CG2-CG 4.46Å; T327-W338 HydrophobicContact CG2-CH2 3.84Å; T327-W338 HydrophobicContact CG2-CZ2 4.19Å; T327-W338 HydrophobicContact CG2-CZ3 3.42Å; T327-W338 VanDerWaalsContact CG2-CZ3 3.42Å; W338-D340 PolarHBondContact O-N 2.63Å; W338-Q360 HydrophobicContact CH2-CB 4.07Å; W338-Q360 HydrophobicContact CZ3-CB 4.33Å; W338-V361 WeakPolarHBondContact CH2-O 3.28Å; W338-K362 HydrophobicContact CD2-CD 4.11Å; W338-K362 HydrophobicContact CD2-CG 4.17Å; W338-K362 HydrophobicContact CE3-CB 4.37Å; W338-K362 HydrophobicContact CE3-CD 4Å; W338-K362 HydrophobicContact CE3-CG 4.19Å; W338-K362 VanDerWaalsContact CH2-CA 3.46Å; W338-K362 HydrophobicContact CH2-CB 3.58Å; W338-K362 HydrophobicContact CH2-CG 3.93Å; W338-K362 HydrophobicContact CZ2-CB 3.97Å; W338-K362 HydrophobicContact CZ2-CG 3.86Å; W338-K362 HydrophobicContact CZ3-CB 3.78Å; W338-K362 HydrophobicContact CZ3-CD 4.25Å; W338-K362 HydrophobicContact CZ3-CG 4.07Å
339	L	94.5	Very high	87.5	Confident	6 Å²	6	52.4 Å²	52.4	3%	0.031	26%	0.258	C	S	.	.			trans	-68.2	119.5	171	-177.1	68.7	0	0	0	109.4	L308 L326 L341 I345 Q348 F357	L308-L339 HydrophobicContact CD2-CD2 4.43Å; L326-L339 HydrophobicContact CB-CB 4.01Å; L326-L339 HydrophobicContact CB-CD2 3.91Å; L326-L339 HydrophobicContact CD1-CD2 3.88Å; L326-L339 WeakPolarHBondContact O-CB 3.26Å; L326-L339 PolarHBondContact O-N 2.96Å; L339-L341 HydrophobicContact CD2-CD2 4.45Å; L339-L341 PolarHBondContact O-N 3.03Å; L339-L341 VanDerWaalsContact O-N 3.16Å; L339-I345 HydrophobicContact CD1-CG1 4.33Å; L339-I345 HydrophobicContact CD1-CG2 4.48Å; L339-Q348 VanDerWaalsContact CD1-NE2 3.33Å; L339-F357 HydrophobicContact CD1-CE1 3.81Å; L339-F357 HydrophobicContact CD1-CZ 4.37Å; L339-F357 HydrophobicContact CD2-CD1 4.48Å; L339-F357 HydrophobicContact CD2-CE1 4.39Å
340	D	93.2	Very high	86.9	Confident	26 Å²	26	56.5 Å²	56.5	14%	0.139	27%	0.271	C	S	.	.			trans	-76.1	99.7	174.6	-170.6	-43.9	0	0	0	109	W338 Q342 T343 Q348 K554	W338-D340 PolarHBondContact O-N 2.63Å; D340-Q342 PolarHBondContact O-N 2.82Å; D340-Q342 PolarHBondContact OD1-N 2.8Å; D340-T343 PolarHBondContact O-N 3.43Å; D340-T343 PolarHBondContact O-OG1 3.09Å; D340-Q348 PolarHBondContact O-NE2 3.11Å; D340-K554 IonicContact OD2-NZ 2.75Å; D340-K554 PolarHBondContact OD2-NZ 2.77Å
341	L	93.4	Very high	85.7	Confident	41 Å²	41	63.8 Å²	63.8	22%	0.215	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.1	-172.3	-56.5	-176.8	0	0	0	113.2	G305 Q306 F309 L339 T343	G305-L341 PolarHBondContact N-O 2.63Å; Q306-L341 HydrophobicContact CB-CB 4.19Å; Q306-L341 PolarHBondContact N-O 2.97Å; F309-L341 HydrophobicContact CB-CD2 3.74Å; F309-L341 HydrophobicContact CD1-CD1 3.82Å; F309-L341 HydrophobicContact CD1-CD2 4.37Å; F309-L341 HydrophobicContact CE1-CD1 4.26Å; F309-L341 HydrophobicContact CG-CD1 4.34Å; F309-L341 HydrophobicContact CG-CD2 4.06Å; L339-L341 HydrophobicContact CD2-CD2 4.45Å; L339-L341 PolarHBondContact O-N 3.03Å; L339-L341 VanDerWaalsContact O-N 3.16Å; L341-T343 VanDerWaalsContact C-N 3.32Å; L341-T343 PolarHBondContact O-N 3.25Å
342	Q	90.2	Very high	85	Confident	106 Å²	106	68 Å²	68	50%	0.495	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	4.9	-176.4	-59.4	-58.9	-47.6	0	0	113.5	D340	D340-Q342 PolarHBondContact O-N 2.82Å; D340-Q342 PolarHBondContact OD1-N 2.8Å
343	T	91.3	Very high	84.7	Confident	54 Å²	54	61.4 Å²	61.4	33%	0.331	30%	0.304	S	S	.	.	S	Bend	trans	-128.4	151.6	179	69.1	0	0	0	0	112.8	I304 G305 D340 L341 I345 Q348	I304-T343 WeakPolarHBondContact CA-O 3.5Å; G305-T343 PolarHBondContact N-O 3.43Å; G305-T343 VanDerWaalsContact N-O 3.11Å; D340-T343 PolarHBondContact O-N 3.43Å; D340-T343 PolarHBondContact O-OG1 3.09Å; L341-T343 VanDerWaalsContact C-N 3.32Å; L341-T343 PolarHBondContact O-N 3.25Å; T343-I345 PolarHBondContact O-N 3.06Å; T343-Q348 PolarHBondContact O-NE2 2.96Å; T343-Q348 VanDerWaalsContact O-NE2 3.13Å; T343-Q348 VanDerWaalsContact OG1-CG 3.29Å; T343-Q348 WeakPolarHBondContact OG1-CG 3.35Å; T343-Q348 PolarHBondContact OG1-NE2 3.33Å
344	K	92.2	Very high	84.6	Confident	66 Å²	66	65.9 Å²	65.9	29%	0.287	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-60.3	133.3	-178.6	-63.7	-165.9	-179.9	-132.2	0	111.2	D302 D303 I304 G346 K347 Q348	D302-K344 VanDerWaalsContact O-CD 3.28Å; D302-K344 WeakPolarHBondContact O-CD 3.3Å; D302-K344 VanDerWaalsContact O-CE 3.23Å; D302-K344 WeakPolarHBondContact O-CE 3.18Å; D302-K344 PolarHBondContact O-NZ 2.98Å; D302-K344 IonicContact OD1-NZ 2.73Å; D302-K344 PolarHBondContact OD1-NZ 2.96Å; D303-K344 VanDerWaalsContact O-CA 3.26Å; D303-K344 WeakPolarHBondContact O-CA 3.36Å; I304-K344 HydrophobicContact CG2-CG 4.12Å; K344-G346 VanDerWaalsContact C-N 3.32Å; K344-G346 PolarHBondContact O-N 3.01Å; K344-K347 HydrophobicContact CB-CB 4.42Å; K344-K347 HydrophobicContact CB-CD 4.25Å; K344-K347 HydrophobicContact CB-CG 4.12Å; K344-K347 WeakPolarHBondContact O-CB 3.23Å; K344-K347 PolarHBondContact O-N 3.47Å; K344-Q348 PolarHBondContact O-N 3.49Å
345	I	91.8	Very high	84.8	Confident	12 Å²	12	66.4 Å²	66.4	6%	0.062	33%	0.326	C	S	.	.	H	α-helix	trans	-59.6	-45.7	-174	-59.4	172.1	0	0	0	110.5	L299 D303 L308 L339 T343 K347 Q348 L349 F357	L299-I345 HydrophobicContact CD1-CD1 3.43Å; L299-I345 VanDerWaalsContact CD1-CD1 3.43Å; D303-I345 PolarHBondContact O-N 3.09Å; L308-I345 HydrophobicContact CB-CD1 3.94Å; L308-I345 HydrophobicContact CD2-CD1 4.1Å; L339-I345 HydrophobicContact CD1-CG1 4.33Å; L339-I345 HydrophobicContact CD1-CG2 4.48Å; T343-I345 PolarHBondContact O-N 3.06Å; I345-K347 PolarHBondContact O-N 3.26Å; I345-Q348 PolarHBondContact O-N 2.99Å; I345-L349 HydrophobicContact CG2-CD1 4.17Å; I345-L349 HydrophobicContact CG2-CG 4.42Å; I345-L349 PolarHBondContact O-N 3.02Å; I345-L349 VanDerWaalsContact O-N 3.16Å; I345-F357 HydrophobicContact CG2-CE2 4.14Å; I345-F357 HydrophobicContact CG2-CZ 3.63Å
346	G	88.2	Confident	85.3	Confident	60 Å²	60	68.1 Å²	68.1	62%	0.619	34%	0.335	S	S	*	.	H	α-helix	trans	-69.4	7.1	174.3	0	0	0	0	0	116.3	K344	K344-G346 VanDerWaalsContact C-N 3.32Å; K344-G346 PolarHBondContact O-N 3.01Å
347	K	88.6	Confident	85.6	Confident	168 Å²	168	66.8 Å²	66.8	73%	0.73	33%	0.33	S	S	*	.	H	α-helix	trans	-107.5	-11.6	165.9	-69	-174.2	176.7	-174.9	0	113.2	K344 I345	K344-K347 HydrophobicContact CB-CB 4.42Å; K344-K347 HydrophobicContact CB-CD 4.25Å; K344-K347 HydrophobicContact CB-CG 4.12Å; K344-K347 WeakPolarHBondContact O-CB 3.23Å; K344-K347 PolarHBondContact O-N 3.47Å; I345-K347 PolarHBondContact O-N 3.26Å
348	Q	90.1	Very high	85.8	Confident	33 Å²	33	65.3 Å²	65.3	15%	0.154	32%	0.323	C	S	.	.	H	α-helix	trans	-95.9	-47.8	179.4	-60.9	-174.7	61.8	0	0	110.6	F328 L339 D340 T343 K344 I345 R350	F328-Q348 HydrophobicContact CZ-CB 4.37Å; L339-Q348 VanDerWaalsContact CD1-NE2 3.33Å; D340-Q348 PolarHBondContact O-NE2 3.11Å; T343-Q348 PolarHBondContact O-NE2 2.96Å; T343-Q348 VanDerWaalsContact O-NE2 3.13Å; T343-Q348 VanDerWaalsContact OG1-CG 3.29Å; T343-Q348 WeakPolarHBondContact OG1-CG 3.35Å; T343-Q348 PolarHBondContact OG1-NE2 3.33Å; K344-Q348 PolarHBondContact O-N 3.49Å; I345-Q348 PolarHBondContact O-N 2.99Å; Q348-R350 PolarHBondContact O-N 2.95Å
349	L	85.8	Confident	85.8	Confident	21 Å²	21	62.8 Å²	62.8	11%	0.11	31%	0.314	C	S	.	.	S	Bend	trans	-63.1	129.9	166.1	-59.3	-179.1	0	0	0	108.9	F328 I345 E353 R355 F357	F328-L349 HydrophobicContact CD2-CD2 3.62Å; F328-L349 HydrophobicContact CE2-CD2 3.93Å; F328-L349 HydrophobicContact CG-CD2 4.08Å; I345-L349 HydrophobicContact CG2-CD1 4.17Å; I345-L349 HydrophobicContact CG2-CG 4.42Å; I345-L349 PolarHBondContact O-N 3.02Å; I345-L349 VanDerWaalsContact O-N 3.16Å; L349-E353 HydrophobicContact CB-CB 4.35Å; L349-E353 HydrophobicContact CD2-CB 4.24Å; L349-R355 HydrophobicContact CD1-CG 3.88Å; L349-F357 HydrophobicContact CD1-CE2 4.37Å; L349-F357 HydrophobicContact CD1-CZ 3.98Å; L349-F357 HydrophobicContact CD2-CE1 4.36Å; L349-F357 HydrophobicContact CD2-CZ 3.95Å; L349-F357 HydrophobicContact CG-CZ 4.16Å
350	R	74.1	Confident	85.9	Confident	107 Å²	107	62.6 Å²	62.6	40%	0.404	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-84.1	162.7	169.4	-56.4	-175.9	-170.6	-122.6	9	110	Q348 N352 E353 H547	Q348-R350 PolarHBondContact O-N 2.95Å; R350-N352 PolarHBondContact O-N 3.11Å; R350-E353 HydrophobicContact CB-CG 4.36Å; R350-E353 PolarHBondContact N-OE2 3.03Å; R350-E353 WeakPolarHBondContact O-CB 3.3Å; R350-E353 PolarHBondContact O-N 3.37Å; R350-H547 PolarHBondContact NH2-NE2 3.16Å
351	D	57.7	Low	86.1	Confident	156 Å²	156	61.5 Å²	61.5	83%	0.834	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	129.4	172.2	-52.4	-61.4	0	0	0	110
352	N	63.7	Low	86.2	Confident	153 Å²	153	60.6 Å²	60.6	82%	0.818	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	17.2	-172.4	-41.5	-36.6	0	0	0	116.8	N331 R350	N331-N352 PolarHBondContact ND2-O 2.98Å; R350-N352 PolarHBondContact O-N 3.11Å
353	E	70.6	Confident	86.5	Confident	21 Å²	21	55.6 Å²	55.6	10%	0.098	28%	0.278	C	S	.	.			trans	-90.8	131.7	163.2	-71.1	175.6	165	0	0	110.5	S330 N331 L349 R350	S330-E353 WeakPolarHBondContact CA-OE1 3.41Å; S330-E353 VanDerWaalsContact CB-OE1 3.25Å; S330-E353 WeakPolarHBondContact CB-OE1 3.39Å; S330-E353 PolarHBondContact OG-OE1 3.5Å; N331-E353 HydrophobicContact CB-CG 4.03Å; N331-E353 PolarHBondContact N-OE1 3.37Å; L349-E353 HydrophobicContact CB-CB 4.35Å; L349-E353 HydrophobicContact CD2-CB 4.24Å; R350-E353 HydrophobicContact CB-CG 4.36Å; R350-E353 PolarHBondContact N-OE2 3.03Å; R350-E353 WeakPolarHBondContact O-CB 3.3Å; R350-E353 PolarHBondContact O-N 3.37Å
354	E	76.4	Confident	86.8	Confident	130 Å²	130	53.6 Å²	53.6	61%	0.607	26%	0.264	S	S	*	.			trans	-67.8	147.1	-177.6	-70.7	171.4	-164	0	0	111.1	L356	E354-L356 HydrophobicContact CB-CB 4.25Å; E354-L356 PolarHBondContact O-N 3.48Å
355	R	85.3	Confident	87	Confident	116 Å²	116	50.5 Å²	50.5	44%	0.438	25%	0.251	S	S	.	.	S	Bend	trans	-82.9	47.7	176	-65.4	175	176.9	179.7	-11.6	111	T283 S284 V285 C286 L349	T283-R355 VanDerWaalsContact CG2-CZ 3.41Å; T283-R355 PolarHBondContact OG1-NH1 3.14Å; T283-R355 PolarHBondContact OG1-NH2 3.48Å; S284-R355 WeakPolarHBondContact O-CD 3.23Å; V285-R355 HydrophobicContact CG2-CB 4.39Å; C286-R355 PolarHBondContact N-O 3.46Å; L349-R355 HydrophobicContact CD1-CG 3.88Å
356	L	91.4	Very high	87.1	Confident	36 Å²	36	51.1 Å²	51.1	19%	0.188	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	111.2	-176.9	-175.6	60.9	0	0	0	108.9	C286 I288 E354 Y358	C286-L356 HydrophobicContact CB-CD1 3.78Å; I288-L356 HydrophobicContact CD1-CD1 4Å; I288-L356 HydrophobicContact CG1-CD1 3.72Å; E354-L356 HydrophobicContact CB-CB 4.25Å; E354-L356 PolarHBondContact O-N 3.48Å; L356-Y358 HydrophobicContact CD2-CE2 4.4Å; L356-Y358 VanDerWaalsContact CD2-OH 3.26Å; L356-Y358 WeakPolarHBondContact CD2-OH 3.43Å; L356-Y358 HydrophobicContact CG-CE2 4.02Å
357	F	94.3	Very high	87.4	Confident	0 Å²	0	50 Å²	50	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	162.1	178.5	-63.1	-89.4	0	0	0	110.5	V285 C286 V287 I288 L308 L326 T327 F328 L339 I345 L349	V285-F357 HydrophobicContact CG1-CD2 3.34Å; V285-F357 HydrophobicContact CG1-CE2 3.5Å; V285-F357 VanDerWaalsContact CG1-CE2 3.5Å; C286-F357 PolarHBondContact O-N 3.3Å; V287-F357 CarbonylContact C-O 3.55Å; V287-F357 VanDerWaalsContact CA-O 3.32Å; V287-F357 WeakPolarHBondContact CA-O 3.42Å; V287-F357 HydrophobicContact CG2-CB 4.28Å; I288-F357 PolarHBondContact N-O 3.47Å; L308-F357 HydrophobicContact CD2-CD2 4.02Å; L308-F357 HydrophobicContact CD2-CE2 4.31Å; L308-F357 HydrophobicContact CD2-CG 4.35Å; L326-F357 HydrophobicContact CD2-CB 4.28Å; T327-F357 CarbonylContact O-C 3.52Å; T327-F357 WeakPolarHBondContact O-CA 2.97Å; F328-F357 HydrophobicContact CB-CD1 3.78Å; F328-F357 HydrophobicContact CB-CE1 3.76Å; F328-F357 HydrophobicContact CD1-CD1 4.35Å; F328-F357 AromaticContact CD1-CE1 3.89Å; F328-F357 HydrophobicContact CD1-CE1 3.89Å; F328-F357 HydrophobicContact CG-CD1 4.43Å; F328-F357 HydrophobicContact CG-CE1 4.01Å; L339-F357 HydrophobicContact CD1-CE1 3.81Å; L339-F357 HydrophobicContact CD1-CZ 4.37Å; L339-F357 HydrophobicContact CD2-CD1 4.48Å; L339-F357 HydrophobicContact CD2-CE1 4.39Å; I345-F357 HydrophobicContact CG2-CE2 4.14Å; I345-F357 HydrophobicContact CG2-CZ 3.63Å; L349-F357 HydrophobicContact CD1-CE2 4.37Å; L349-F357 HydrophobicContact CD1-CZ 3.98Å; L349-F357 HydrophobicContact CD2-CE1 4.36Å; L349-F357 HydrophobicContact CD2-CZ 3.95Å; L349-F357 HydrophobicContact CG-CZ 4.16Å
358	Y	94.2	Very high	87.7	Confident	7 Å²	7	42 Å²	42	3%	0.027	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	122.9	-179.1	-52.4	-106.7	0	0	0	108.3	I288 T327 W336 L356 S618 P620	I288-Y358 HydrophobicContact CB-CD1 4.07Å; I288-Y358 HydrophobicContact CD1-CD1 3.97Å; I288-Y358 HydrophobicContact CD1-CE1 3.54Å; I288-Y358 HydrophobicContact CG1-CD1 3.98Å; I288-Y358 HydrophobicContact CG1-CE1 4Å; I288-Y358 WeakPolarHBondContact O-CA 3.14Å; T327-Y358 PolarHBondContact N-O 2.85Å; T327-Y358 PolarHBondContact O-N 3.27Å; T327-Y358 PolarHBondContact OG1-O 2.56Å; W336-Y358 HydrophobicContact CE3-CD2 4.45Å; W336-Y358 HydrophobicContact CH2-CD1 4.09Å; W336-Y358 AromaticContact CH2-CD2 3.98Å; W336-Y358 HydrophobicContact CH2-CD2 3.98Å; W336-Y358 HydrophobicContact CH2-CE1 4.11Å; W336-Y358 HydrophobicContact CH2-CE2 4.06Å; W336-Y358 AromaticContact CH2-CG 4Å; W336-Y358 HydrophobicContact CH2-CG 4Å; W336-Y358 HydrophobicContact CZ3-CD1 4.19Å; W336-Y358 AromaticContact CZ3-CD2 3.42Å; W336-Y358 HydrophobicContact CZ3-CD2 3.42Å; W336-Y358 VanDerWaalsContact CZ3-CD2 3.42Å; W336-Y358 HydrophobicContact CZ3-CE1 4.5Å; W336-Y358 AromaticContact CZ3-CE2 3.85Å; W336-Y358 HydrophobicContact CZ3-CE2 3.85Å; W336-Y358 AromaticContact CZ3-CG 3.62Å; W336-Y358 HydrophobicContact CZ3-CG 3.62Å; L356-Y358 HydrophobicContact CD2-CE2 4.4Å; L356-Y358 VanDerWaalsContact CD2-OH 3.26Å; L356-Y358 WeakPolarHBondContact CD2-OH 3.43Å; L356-Y358 HydrophobicContact CG-CE2 4.02Å; Y358-S618 WeakPolarHBondContact CD1-O 3.44Å; Y358-S618 WeakPolarHBondContact CE1-O 3.03Å; Y358-P620 WeakPolarHBondContact OH-CB 3.1Å
359	F	95.9	Very high	87.8	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	124.2	174.6	-176.8	-105.4	0	0	0	109	V287 I288 M289 L290 F309 V312 L316 L318 F324 L326	V287-F359 HydrophobicContact CG1-CB 4.26Å; I288-F359 PolarHBondContact O-N 3.06Å; M289-F359 HydrophobicContact CE-CB 4.16Å; M289-F359 HydrophobicContact CE-CD1 3.91Å; M289-F359 HydrophobicContact CE-CE1 4.44Å; M289-F359 HydrophobicContact CE-CG 3.95Å; M289-F359 HydrophobicContact SD-CB 3.79Å; M289-F359 HydrophobicContact SD-CG 4.24Å; L290-F359 HydrophobicContact CD1-CD1 3.91Å; L290-F359 HydrophobicContact CD1-CE1 4.07Å; L290-F359 WeakPolarHBondContact CD2-O 3.3Å; L290-F359 HydrophobicContact CG-CD1 4.03Å; L290-F359 WeakPolarHBondContact CG-O 3.32Å; F309-F359 HydrophobicContact CE2-CE2 4.14Å; V312-F359 HydrophobicContact CG1-CD2 3.65Å; V312-F359 HydrophobicContact CG1-CE2 4.02Å; V312-F359 HydrophobicContact CG1-CG 4.26Å; L316-F359 HydrophobicContact CD1-CD1 4.36Å; L316-F359 HydrophobicContact CD1-CE1 3.69Å; L316-F359 HydrophobicContact CD1-CE2 4.48Å; L316-F359 HydrophobicContact CD1-CZ 3.77Å; L318-F359 HydrophobicContact CD2-CZ 3.82Å; F324-F359 HydrophobicContact CB-CE1 4.4Å; F324-F359 HydrophobicContact CB-CE2 3.66Å; F324-F359 HydrophobicContact CB-CZ 3.57Å; F324-F359 HydrophobicContact CD1-CD1 4.44Å; F324-F359 AromaticContact CD1-CE1 3.52Å; F324-F359 HydrophobicContact CD1-CE1 3.52Å; F324-F359 HydrophobicContact CD1-CE2 4.34Å; F324-F359 AromaticContact CD1-CZ 3.46Å; F324-F359 HydrophobicContact CD1-CZ 3.46Å; F324-F359 VanDerWaalsContact CD1-CZ 3.46Å; F324-F359 HydrophobicContact CD2-CZ 4.26Å; F324-F359 HydrophobicContact CE1-CE1 4.01Å; F324-F359 HydrophobicContact CE1-CZ 4.2Å; F324-F359 HydrophobicContact CG-CE1 4.08Å; F324-F359 HydrophobicContact CG-CE2 4.14Å; F324-F359 AromaticContact CG-CZ 3.49Å; F324-F359 HydrophobicContact CG-CZ 3.49Å; F324-F359 VanDerWaalsContact CG-CZ 3.49Å; L326-F359 HydrophobicContact CD2-CB 4.29Å; L326-F359 HydrophobicContact CD2-CD2 4.45Å
360	Q	96	Very high	88.1	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	153.5	-173.6	-69.5	-161.7	68.1	0	0	112	F324 G325 T327 W338 K362 Q383	F324-Q360 CarbonylContact C-O 3.29Å; F324-Q360 WeakPolarHBondContact CA-O 3.45Å; G325-Q360 PolarHBondContact N-O 3.02Å; G325-Q360 PolarHBondContact O-N 3.08Å; T327-Q360 HydrophobicContact CG2-CB 4.49Å; T327-Q360 PolarHBondContact OG1-NE2 3.12Å; W338-Q360 HydrophobicContact CH2-CB 4.07Å; W338-Q360 HydrophobicContact CZ3-CB 4.33Å; Q360-K362 PolarHBondContact O-N 3.26Å; Q360-Q383 VanDerWaalsContact CB-OE1 3.31Å
361	V	96.6	Very high	89	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	126.2	172.3	-177.5	0	0	0	0	109.2	L290 F324 W338 F363 Y364 L380 Q383	L290-V361 HydrophobicContact CD1-CG2 4.44Å; F324-V361 HydrophobicContact CD1-CG2 3.89Å; F324-V361 HydrophobicContact CE1-CG2 3.62Å; F324-V361 HydrophobicContact CZ-CG2 4.48Å; W338-V361 WeakPolarHBondContact CH2-O 3.28Å; V361-F363 WeakPolarHBondContact CG1-O 3.5Å; V361-Y364 HydrophobicContact CB-CD2 4.5Å; V361-Y364 HydrophobicContact CB-CE1 4.48Å; V361-Y364 HydrophobicContact CB-CE2 3.93Å; V361-Y364 HydrophobicContact CG1-CD1 4.41Å; V361-Y364 HydrophobicContact CG1-CD2 3.78Å; V361-Y364 HydrophobicContact CG1-CE1 4.39Å; V361-Y364 HydrophobicContact CG1-CE2 3.7Å; V361-Y364 HydrophobicContact CG1-CG 4.11Å; V361-Y364 WeakPolarHBondContact O-CE2 3.47Å; V361-L380 HydrophobicContact CB-CD1 4.44Å; V361-L380 HydrophobicContact CG1-CD1 3.98Å; V361-L380 HydrophobicContact CG2-CD1 3.92Å; V361-Q383 HydrophobicContact CB-CB 4.35Å; V361-Q383 HydrophobicContact CB-CG 3.9Å; V361-Q383 HydrophobicContact CG2-CB 3.61Å; V361-Q383 HydrophobicContact CG2-CG 3.72Å
362	K	96	Very high	90.6	Very high	23 Å²	23	35.9 Å²	35.9	10%	0.1	18%	0.177	C	C	.	.	S	Bend	trans	-97.5	-39.9	-179.8	-172	171.5	-177.2	177.3	0	112.6	Y323 W338 Q360 E558	Y323-K362 WeakPolarHBondContact O-CA 3.41Å; Y323-K362 PolarHBondContact O-N 3.28Å; W338-K362 HydrophobicContact CD2-CD 4.11Å; W338-K362 HydrophobicContact CD2-CG 4.17Å; W338-K362 HydrophobicContact CE3-CB 4.37Å; W338-K362 HydrophobicContact CE3-CD 4Å; W338-K362 HydrophobicContact CE3-CG 4.19Å; W338-K362 VanDerWaalsContact CH2-CA 3.46Å; W338-K362 HydrophobicContact CH2-CB 3.58Å; W338-K362 HydrophobicContact CH2-CG 3.93Å; W338-K362 HydrophobicContact CZ2-CB 3.97Å; W338-K362 HydrophobicContact CZ2-CG 3.86Å; W338-K362 HydrophobicContact CZ3-CB 3.78Å; W338-K362 HydrophobicContact CZ3-CD 4.25Å; W338-K362 HydrophobicContact CZ3-CG 4.07Å; Q360-K362 PolarHBondContact O-N 3.26Å; K362-E558 WeakPolarHBondContact CE-OE2 3.38Å; K362-E558 IonicContact NZ-OE1 2.72Å; K362-E558 PolarHBondContact NZ-OE1 3.21Å; K362-E558 IonicContact NZ-OE2 2.78Å; K362-E558 PolarHBondContact NZ-OE2 2.95Å
363	F	97.1	Very high	91.9	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	14%	0.139	C	C	.	.	S	Bend	trans	-124.1	121.4	177.6	-51.9	-57.8	0	0	0	110	D322 Y323 V361 E558 H559 F562 F563 Y587	D322-F363 WeakPolarHBondContact O-CD2 3.35Å; D322-F363 WeakPolarHBondContact O-CE2 3.36Å; Y323-F363 HydrophobicContact CD1-CB 4.37Å; Y323-F363 WeakPolarHBondContact CD1-O 3.2Å; Y323-F363 PolarHBondContact O-N 3.14Å; V361-F363 WeakPolarHBondContact CG1-O 3.5Å; F363-E558 HydrophobicContact CE1-CB 4.11Å; F363-E558 HydrophobicContact CZ-CB 4.04Å; F363-H559 AromaticContact CD1-CD2 3.97Å; F363-H559 AromaticContact CD1-CE1 3.88Å; F363-H559 AromaticContact CD1-NE2 3.85Å; F363-H559 AromaticContact CE1-ND1 3.81Å; F363-F562 HydrophobicContact CB-CD1 3.61Å; F363-F562 HydrophobicContact CB-CE1 3.54Å; F363-F562 HydrophobicContact CB-CG 4.36Å; F363-F562 HydrophobicContact CB-CZ 4.25Å; F363-F562 HydrophobicContact CD1-CB 4.27Å; F363-F562 HydrophobicContact CD1-CD1 4.15Å; F363-F562 HydrophobicContact CD1-CG 4.29Å; F363-F562 HydrophobicContact CD2-CB 4.07Å; F363-F562 AromaticContact CD2-CD1 3.63Å; F363-F562 HydrophobicContact CD2-CD1 3.63Å; F363-F562 AromaticContact CD2-CD2 3.64Å; F363-F562 HydrophobicContact CD2-CD2 3.64Å; F363-F562 AromaticContact CD2-CE1 3.89Å; F363-F562 HydrophobicContact CD2-CE1 3.89Å; F363-F562 AromaticContact CD2-CE2 3.91Å; F363-F562 HydrophobicContact CD2-CE2 3.91Å; F363-F562 AromaticContact CD2-CG 3.49Å; F363-F562 HydrophobicContact CD2-CG 3.49Å; F363-F562 VanDerWaalsContact CD2-CG 3.49Å; F363-F562 HydrophobicContact CD2-CZ 4.03Å; F363-F562 HydrophobicContact CE1-CB 4.07Å; F363-F562 HydrophobicContact CE1-CG 4.48Å; F363-F562 HydrophobicContact CE2-CB 3.88Å; F363-F562 HydrophobicContact CE2-CD1 4.31Å; F363-F562 AromaticContact CE2-CD2 3.76Å; F363-F562 HydrophobicContact CE2-CD2 3.76Å; F363-F562 HydrophobicContact CE2-CE2 4.37Å; F363-F562 AromaticContact CE2-CG 3.72Å; F363-F562 HydrophobicContact CE2-CG 3.72Å; F363-F562 HydrophobicContact CG-CB 4.27Å; F363-F562 AromaticContact CG-CD1 3.53Å; F363-F562 HydrophobicContact CG-CD1 3.53Å; F363-F562 HydrophobicContact CG-CD2 4.39Å; F363-F562 AromaticContact CG-CE1 3.9Å; F363-F562 HydrophobicContact CG-CE1 3.9Å; F363-F562 AromaticContact CG-CG 3.81Å; F363-F562 HydrophobicContact CG-CG 3.81Å; F363-F562 HydrophobicContact CG-CZ 4.47Å; F363-F562 HydrophobicContact CZ-CB 3.87Å; F363-F562 HydrophobicContact CZ-CG 4.21Å; F363-F563 HydrophobicContact CB-CE2 4.16Å; F363-F563 HydrophobicContact CB-CZ 3.94Å; F363-F563 HydrophobicContact CD1-CE2 4.31Å; F363-Y587 AromaticContact CE2-CE2 3.76Å; F363-Y587 HydrophobicContact CE2-CE2 3.76Å; F363-Y587 HydrophobicContact CZ-CD2 4.33Å; F363-Y587 AromaticContact CZ-CE2 3.98Å; F363-Y587 HydrophobicContact CZ-CE2 3.98Å
364	Y	97.2	Very high	93	Very high	11 Å²	11	29.5 Å²	29.5	4%	0.043	14%	0.142	C	C	.	.			trans	-95.3	121.3	-177.8	-67.3	-119.5	0	0	0	108.2	V361 L380 Q383 I384 D387 K392 Y472 G473 F563	V361-Y364 HydrophobicContact CB-CD2 4.5Å; V361-Y364 HydrophobicContact CB-CE1 4.48Å; V361-Y364 HydrophobicContact CB-CE2 3.93Å; V361-Y364 HydrophobicContact CG1-CD1 4.41Å; V361-Y364 HydrophobicContact CG1-CD2 3.78Å; V361-Y364 HydrophobicContact CG1-CE1 4.39Å; V361-Y364 HydrophobicContact CG1-CE2 3.7Å; V361-Y364 HydrophobicContact CG1-CG 4.11Å; V361-Y364 WeakPolarHBondContact O-CE2 3.47Å; Y364-L380 HydrophobicContact CD1-CD1 3.96Å; Y364-L380 HydrophobicContact CE1-CD1 4.28Å; Y364-Q383 HydrophobicContact CE1-CG 4.21Å; Y364-Q383 WeakPolarHBondContact OH-CG 3.37Å; Y364-I384 HydrophobicContact CE1-CG1 4.4Å; Y364-D387 PolarHBondContact OH-OD2 2.82Å; Y364-K392 PolarHBondContact OH-NZ 3.46Å; Y364-Y472 HydrophobicContact CD1-CD2 4.47Å; Y364-Y472 HydrophobicContact CD1-CE2 4.16Å; Y364-G473 VanDerWaalsContact CD2-CA 3.43Å; Y364-F563 WeakPolarHBondContact O-CZ 3.21Å
365	P	95.8	Very high	93.8	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.013	11%	0.114	C	C	.	.			trans	-69	143.6	-176.5	28.6	-36.1	0	0	0	111.2	Y323 E367 P368 L371 L380 Y472 F592	Y323-P365 HydrophobicContact CE1-CB 4.14Å; P365-E367 VanDerWaalsContact C-N 3.25Å; P365-E367 PolarHBondContact O-N 3.43Å; P365-P368 HydrophobicContact CG-CB 4.04Å; P365-L371 HydrophobicContact CB-CD2 4.32Å; P365-L371 HydrophobicContact CG-CD1 4.06Å; P365-L371 HydrophobicContact CG-CD2 4.03Å; P365-L371 HydrophobicContact CG-CG 4.05Å; P365-L380 HydrophobicContact CG-CD2 3.79Å; P365-Y472 WeakPolarHBondContact O-CE1 3.25Å; P365-Y472 PolarHBondContact O-OH 3.08Å; P365-F592 HydrophobicContact CB-CE2 4.48Å
366	P	95.1	Very high	94.2	Very high	24 Å²	24	18 Å²	18	16%	0.156	9%	0.094	C	C	.	.	S	Bend	trans	-66.1	-27.7	176.3	26.3	-34.6	0	0	0	113	F493 F592	P366-F493 HydrophobicContact CB-CD2 3.71Å; P366-F493 HydrophobicContact CB-CE2 3.86Å; P366-F493 HydrophobicContact CB-CG 4.31Å; P366-F592 HydrophobicContact CG-CE1 4.18Å; P366-F592 HydrophobicContact CG-CE2 4.24Å; P366-F592 HydrophobicContact CG-CZ 3.62Å
367	E	94.6	Very high	94.4	Very high	37 Å²	37	17.4 Å²	17.4	17%	0.173	9%	0.089	C	C	.	.			trans	-131.5	90.8	176.2	-47.8	154.4	114.9	0	0	107.6	P365 S369 L370 R596	P365-E367 VanDerWaalsContact C-N 3.25Å; P365-E367 PolarHBondContact O-N 3.43Å; E367-S369 PolarHBondContact O-N 3.01Å; E367-L370 HydrophobicContact CB-CB 4.49Å; E367-L370 HydrophobicContact CB-CD1 4.13Å; E367-L370 HydrophobicContact CB-CG 4.39Å; E367-L370 PolarHBondContact O-N 3.48Å; E367-L370 VanDerWaalsContact O-N 3.15Å; E367-R596 PolarHBondContact O-NH2 3.45Å; E367-R596 IonicContact OE2-CZ 3.73Å; E367-R596 VanDerWaalsContact OE2-CZ 3.22Å; E367-R596 IonicContact OE2-NH1 2.63Å; E367-R596 PolarHBondContact OE2-NH1 2.97Å; E367-R596 IonicContact OE2-NH2 3.74Å; E367-R596 PolarHBondContact OE2-NH2 3.22Å
368	P	94.4	Very high	94.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-69.5	-22	-177.3	28	-34.6	0	0	0	112.9	P365 L370 L371 L380 L463 K467	P365-P368 HydrophobicContact CG-CB 4.04Å; P368-L370 PolarHBondContact O-N 2.91Å; P368-L371 WeakPolarHBondContact O-CB 3.24Å; P368-L371 WeakPolarHBondContact O-CG 3.25Å; P368-L371 PolarHBondContact O-N 3.26Å; P368-L380 HydrophobicContact CB-CD2 3.77Å; P368-L463 HydrophobicContact CB-CB 3.91Å; P368-L463 HydrophobicContact CB-CD1 4.21Å; P368-L463 HydrophobicContact CB-CD2 4.47Å; P368-L463 HydrophobicContact CB-CG 4.43Å; P368-L463 HydrophobicContact CG-CB 3.66Å; P368-K467 HydrophobicContact CG-CD 4.11Å
369	S	91.3	Very high	94.5	Very high	44 Å²	44	17.5 Å²	17.5	31%	0.308	9%	0.09	S	C	.	.	G	3₁₀ helix	trans	-62.7	-10.4	169.1	45.4	0	0	0	0	114.5	E367 E464	E367-S369 PolarHBondContact O-N 3.01Å; S369-E464 WeakPolarHBondContact CB-OE1 3.5Å; S369-E464 PolarHBondContact OG-OE1 3.08Å
370	L	91.6	Very high	94.5	Very high	83 Å²	83	17.6 Å²	17.6	44%	0.435	9%	0.09	S	C	.	.	G	3₁₀ helix	trans	-114.2	16.9	176.3	-62.9	176.4	0	0	0	113	E367 P368	E367-L370 HydrophobicContact CB-CB 4.49Å; E367-L370 HydrophobicContact CB-CD1 4.13Å; E367-L370 HydrophobicContact CB-CG 4.39Å; E367-L370 PolarHBondContact O-N 3.48Å; E367-L370 VanDerWaalsContact O-N 3.15Å; P368-L370 PolarHBondContact O-N 2.91Å
371	L	93.4	Very high	94.4	Very high	6 Å²	6	17.6 Å²	17.6	3%	0.031	9%	0.09	C	C	.	.			trans	-69.4	140.4	154.9	-67.3	175.2	0	0	0	108.7	Y323 P365 P368 T376 R377 L380	Y323-L371 HydrophobicContact CD2-CD2 3.96Å; Y323-L371 HydrophobicContact CE1-CD2 4.12Å; Y323-L371 HydrophobicContact CE2-CD2 3.36Å; Y323-L371 VanDerWaalsContact CZ-CD2 3.46Å; P365-L371 HydrophobicContact CB-CD2 4.32Å; P365-L371 HydrophobicContact CG-CD1 4.06Å; P365-L371 HydrophobicContact CG-CD2 4.03Å; P365-L371 HydrophobicContact CG-CG 4.05Å; P368-L371 WeakPolarHBondContact O-CB 3.24Å; P368-L371 WeakPolarHBondContact O-CG 3.25Å; P368-L371 PolarHBondContact O-N 3.26Å; L371-T376 HydrophobicContact CB-CG2 4.47Å; L371-T376 HydrophobicContact CD1-CG2 3.84Å; L371-T376 HydrophobicContact CD2-CG2 3.99Å; L371-T376 HydrophobicContact CG-CG2 4.32Å; L371-R377 HydrophobicContact CB-CG 3.8Å; L371-R377 HydrophobicContact CD1-CG 4.08Å; L371-R377 PolarHBondContact O-NH1 3.3Å; L371-L380 HydrophobicContact CD1-CD2 3.78Å
372	Q	91.2	Very high	94.3	Very high	55 Å²	55	17.8 Å²	17.8	26%	0.257	9%	0.091	S	C	.	.	S	Bend	trans	-83.4	-52	-170.8	-70.8	-173.6	62.1	0	0	112.4	E320 R377 Y595 T598 I600	E320-Q372 PolarHBondContact OE1-N 2.97Å; E320-Q372 PolarHBondContact OE2-N 3.16Å; E320-Q372 VanDerWaalsContact OE2-N 3.08Å; Q372-R377 VanDerWaalsContact C-NH1 3.34Å; Q372-R377 PolarHBondContact O-NH1 2.82Å; Q372-Y595 PolarHBondContact NE2-O 3.14Å; Q372-T598 PolarHBondContact NE2-O 3.48Å; Q372-I600 HydrophobicContact CB-CD1 3.84Å; Q372-I600 HydrophobicContact CG-CD1 4.33Å
373	E	91.9	Very high	94.2	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.009	9%	0.086	C	C	.	.	S	Bend	trans	-82.1	144.6	-177.1	-59.1	-172.5	134.6	0	0	111.9	Y319 E320 L375 T376 R377 R602	Y319-E373 VanDerWaalsContact CB-CD 3.44Å; Y319-E373 WeakPolarHBondContact CB-OE1 3.19Å; Y319-E373 WeakPolarHBondContact CB-OE2 3.33Å; Y319-E373 PolarHBondContact N-OE2 2.79Å; E320-E373 PolarHBondContact OE2-N 3.41Å; E373-L375 VanDerWaalsContact C-N 3.31Å; E373-L375 PolarHBondContact O-N 3.17Å; E373-T376 PolarHBondContact O-N 3.3Å; E373-R377 PolarHBondContact O-N 3.43Å; E373-R377 PolarHBondContact O-NH1 3.48Å; E373-R602 VanDerWaalsContact OE1-CD 3.3Å; E373-R602 WeakPolarHBondContact OE1-CD 3.2Å; E373-R602 IonicContact OE1-CZ 2.75Å; E373-R602 IonicContact OE1-NE 2.75Å; E373-R602 PolarHBondContact OE1-NE 3.28Å; E373-R602 IonicContact OE1-NH1 3.22Å
374	E	92.6	Very high	94.1	Very high	38 Å²	38	16.7 Å²	16.7	18%	0.178	9%	0.086	C	C	.	.	H	α-helix	trans	-67.3	-33.9	176.2	-164.6	178.8	128.4	0	0	112.4	T376 R377 Y378 N456 F607 R609	E374-T376 VanDerWaalsContact C-N 3.35Å; E374-T376 PolarHBondContact O-N 3.11Å; E374-R377 VanDerWaalsContact CA-NH2 3.31Å; E374-R377 PolarHBondContact O-N 2.67Å; E374-Y378 PolarHBondContact O-N 3.48Å; E374-N456 HydrophobicContact CG-CB 3.88Å; E374-N456 WeakPolarHBondContact OE2-CB 3.49Å; E374-N456 PolarHBondContact OE2-ND2 3.13Å; E374-F607 HydrophobicContact CB-CE1 4.21Å; E374-F607 HydrophobicContact CB-CZ 4.49Å; E374-F607 HydrophobicContact CG-CE1 4.29Å; E374-F607 HydrophobicContact CG-CZ 4.1Å; E374-R609 IonicContact OE1-CZ 3.71Å; E374-R609 IonicContact OE1-NE 3.13Å; E374-R609 IonicContact OE1-NH2 2.72Å; E374-R609 PolarHBondContact OE1-NH2 3.02Å
375	L	93.6	Very high	93.9	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.016	9%	0.087	C	C	.	.	H	α-helix	trans	-57.9	-45.4	174.1	177.3	65.4	0	0	0	111.6	L316 L318 E373 R377 Y378 Q379 P605 F607	L316-L375 WeakPolarHBondContact O-CD2 2.97Å; L318-L375 HydrophobicContact CB-CD2 4.19Å; L318-L375 HydrophobicContact CD1-CD2 4.04Å; L318-L375 HydrophobicContact CD1-CG 4.2Å; E373-L375 VanDerWaalsContact C-N 3.31Å; E373-L375 PolarHBondContact O-N 3.17Å; L375-R377 VanDerWaalsContact C-N 3.31Å; L375-R377 PolarHBondContact O-N 2.92Å; L375-Y378 PolarHBondContact O-N 2.88Å; L375-Q379 HydrophobicContact CD1-CG 3.97Å; L375-Q379 HydrophobicContact CG-CG 4.31Å; L375-Q379 WeakPolarHBondContact O-CB 3.41Å; L375-Q379 VanDerWaalsContact O-CG 3.25Å; L375-Q379 WeakPolarHBondContact O-CG 3.27Å; L375-Q379 PolarHBondContact O-N 2.94Å; L375-P605 HydrophobicContact CB-CG 3.88Å; L375-P605 HydrophobicContact CD2-CB 4.38Å; L375-P605 HydrophobicContact CD2-CG 3.81Å; L375-P605 HydrophobicContact CG-CG 4.5Å; L375-F607 HydrophobicContact CB-CD1 4.01Å; L375-F607 HydrophobicContact CB-CE1 4.03Å; L375-F607 HydrophobicContact CD1-CB 4.15Å; L375-F607 HydrophobicContact CD1-CD1 3.89Å; L375-F607 HydrophobicContact CD1-CD2 4.5Å; L375-F607 HydrophobicContact CD1-CE1 4.45Å; L375-F607 HydrophobicContact CD1-CG 3.93Å
376	T	95.1	Very high	93.6	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	9%	0.089	C	C	.	.	H	α-helix	trans	-59	-42.6	176.9	-39.3	0	0	0	0	111.5	E320 Y323 F324 L371 E373 E374 L380	E320-T376 HydrophobicContact CB-CG2 3.66Å; E320-T376 HydrophobicContact CG-CG2 4.38Å; E320-T376 VanDerWaalsContact OE2-CB 3.25Å; E320-T376 WeakPolarHBondContact OE2-CB 3.43Å; E320-T376 PolarHBondContact OE2-OG1 3.13Å; Y323-T376 HydrophobicContact CD2-CG2 4.21Å; F324-T376 HydrophobicContact CE2-CG2 3.96Å; F324-T376 HydrophobicContact CZ-CG2 4.22Å; L371-T376 HydrophobicContact CB-CG2 4.47Å; L371-T376 HydrophobicContact CD1-CG2 3.84Å; L371-T376 HydrophobicContact CD2-CG2 3.99Å; L371-T376 HydrophobicContact CG-CG2 4.32Å; E373-T376 PolarHBondContact O-N 3.3Å; E374-T376 VanDerWaalsContact C-N 3.35Å; E374-T376 PolarHBondContact O-N 3.11Å; T376-L380 WeakPolarHBondContact O-CB 3.29Å; T376-L380 PolarHBondContact O-N 2.87Å
377	R	95.3	Very high	93.4	Very high	25 Å²	25	16.2 Å²	16.2	9%	0.094	8%	0.082	C	C	.	.	H	α-helix	trans	-65.6	-45.7	177.2	-65.4	-173.2	-64.2	-89.5	-0.6	111.4	L371 Q372 E373 E374 L375 L380 T381 L463	L371-R377 HydrophobicContact CB-CG 3.8Å; L371-R377 HydrophobicContact CD1-CG 4.08Å; L371-R377 PolarHBondContact O-NH1 3.3Å; Q372-R377 VanDerWaalsContact C-NH1 3.34Å; Q372-R377 PolarHBondContact O-NH1 2.82Å; E373-R377 PolarHBondContact O-N 3.43Å; E373-R377 PolarHBondContact O-NH1 3.48Å; E374-R377 VanDerWaalsContact CA-NH2 3.31Å; E374-R377 PolarHBondContact O-N 2.67Å; L375-R377 VanDerWaalsContact C-N 3.31Å; L375-R377 PolarHBondContact O-N 2.92Å; R377-L380 PolarHBondContact O-N 2.95Å; R377-T381 WeakPolarHBondContact O-CB 3.47Å; R377-T381 PolarHBondContact O-N 3.15Å; R377-T381 PolarHBondContact O-OG1 3.32Å; R377-T381 VanDerWaalsContact O-OG1 3.14Å; R377-L463 HydrophobicContact CB-CD1 3.95Å; R377-L463 HydrophobicContact CG-CD1 4.39Å
378	Y	94.1	Very high	93.2	Very high	4 Å²	4	15 Å²	15	2%	0.016	8%	0.076	C	C	.	.	H	α-helix	trans	-62	-47	176.7	174.1	-112.7	0	0	0	112.4	E374 L375 L380 T381 L382 F607 R609	E374-Y378 PolarHBondContact O-N 3.48Å; L375-Y378 PolarHBondContact O-N 2.88Å; Y378-L380 VanDerWaalsContact C-N 3.34Å; Y378-L380 PolarHBondContact O-N 2.91Å; Y378-T381 WeakPolarHBondContact O-CA 3.45Å; Y378-T381 WeakPolarHBondContact O-CB 3.22Å; Y378-T381 PolarHBondContact O-N 3.38Å; Y378-T381 VanDerWaalsContact O-N 3.09Å; Y378-L382 HydrophobicContact CD1-CD1 4.13Å; Y378-L382 HydrophobicContact CE1-CD1 3.68Å; Y378-L382 HydrophobicContact CE1-CG 4.33Å; Y378-L382 HydrophobicContact CE2-CD1 4.47Å; Y378-L382 HydrophobicContact CE2-CD2 4.21Å; Y378-L382 HydrophobicContact CE2-CG 4.28Å; Y378-L382 WeakPolarHBondContact O-CG 3.48Å; Y378-L382 PolarHBondContact O-N 3.39Å; Y378-F607 AromaticContact CD1-CD2 3.58Å; Y378-F607 HydrophobicContact CD1-CD2 3.58Å; Y378-F607 AromaticContact CD1-CE2 3.35Å; Y378-F607 HydrophobicContact CD1-CE2 3.35Å; Y378-F607 HydrophobicContact CD1-CZ 4.22Å; Y378-F607 HydrophobicContact CD2-CE2 4.04Å; Y378-F607 AromaticContact CE1-CD2 3.83Å; Y378-F607 HydrophobicContact CE1-CD2 3.83Å; Y378-F607 AromaticContact CE1-CE2 3.93Å; Y378-F607 HydrophobicContact CE1-CE2 3.93Å; Y378-F607 HydrophobicContact CG-CD2 4.13Å; Y378-F607 AromaticContact CG-CE2 3.41Å; Y378-F607 HydrophobicContact CG-CE2 3.41Å; Y378-F607 VanDerWaalsContact CG-CE2 3.41Å; Y378-F607 HydrophobicContact CG-CZ 4.04Å; Y378-R609 HydrophobicContact CD2-CG 4.42Å; Y378-R609 HydrophobicContact CE2-CG 4.1Å
379	Q	94.9	Very high	92.9	Very high	4 Å²	4	17 Å²	17	2%	0.019	8%	0.084	C	C	.	.	H	α-helix	trans	-62.3	-39.4	177.1	-67.4	-71.4	-17.2	0	0	111.9	L290 F324 L375 L382 Q383	L290-Q379 HydrophobicContact CD1-CB 4.44Å; L290-Q379 WeakPolarHBondContact CD1-O 3.48Å; F324-Q379 HydrophobicContact CE1-CB 3.68Å; F324-Q379 HydrophobicContact CZ-CB 3.72Å; L375-Q379 HydrophobicContact CD1-CG 3.97Å; L375-Q379 HydrophobicContact CG-CG 4.31Å; L375-Q379 WeakPolarHBondContact O-CB 3.41Å; L375-Q379 VanDerWaalsContact O-CG 3.25Å; L375-Q379 WeakPolarHBondContact O-CG 3.27Å; L375-Q379 PolarHBondContact O-N 2.94Å; Q379-L382 PolarHBondContact O-N 3.21Å; Q379-Q383 PolarHBondContact O-N 3.3Å; Q379-Q383 VanDerWaalsContact O-N 3.15Å
380	L	95.9	Very high	92.5	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.016	8%	0.077	C	C	.	.	H	α-helix	trans	-64.4	-40.4	171.9	180	60.4	0	0	0	112.1	V361 Y364 P365 P368 L371 T376 R377 Y378 Q383 I384 L463	V361-L380 HydrophobicContact CB-CD1 4.44Å; V361-L380 HydrophobicContact CG1-CD1 3.98Å; V361-L380 HydrophobicContact CG2-CD1 3.92Å; Y364-L380 HydrophobicContact CD1-CD1 3.96Å; Y364-L380 HydrophobicContact CE1-CD1 4.28Å; P365-L380 HydrophobicContact CG-CD2 3.79Å; P368-L380 HydrophobicContact CB-CD2 3.77Å; L371-L380 HydrophobicContact CD1-CD2 3.78Å; T376-L380 WeakPolarHBondContact O-CB 3.29Å; T376-L380 PolarHBondContact O-N 2.87Å; R377-L380 PolarHBondContact O-N 2.95Å; Y378-L380 VanDerWaalsContact C-N 3.34Å; Y378-L380 PolarHBondContact O-N 2.91Å; L380-Q383 PolarHBondContact O-N 3.48Å; L380-I384 HydrophobicContact CD1-CD1 3.9Å; L380-I384 HydrophobicContact CD1-CG1 4.41Å; L380-I384 HydrophobicContact CG-CD1 3.86Å; L380-I384 WeakPolarHBondContact O-CD1 3.49Å; L380-I384 WeakPolarHBondContact O-CG1 3.34Å; L380-I384 PolarHBondContact O-N 3.49Å; L380-I384 VanDerWaalsContact O-N 3.1Å; L380-L463 HydrophobicContact CB-CD2 4.29Å; L380-L463 HydrophobicContact CD2-CD2 3.89Å; L380-L463 HydrophobicContact CG-CD2 3.72Å
381	T	95.3	Very high	92.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.1	-44.4	174.3	-70	0	0	0	0	111.6	R377 Y378 Q383 I384 R385 D459 Y462 L463	R377-T381 WeakPolarHBondContact O-CB 3.47Å; R377-T381 PolarHBondContact O-N 3.15Å; R377-T381 PolarHBondContact O-OG1 3.32Å; R377-T381 VanDerWaalsContact O-OG1 3.14Å; Y378-T381 WeakPolarHBondContact O-CA 3.45Å; Y378-T381 WeakPolarHBondContact O-CB 3.22Å; Y378-T381 PolarHBondContact O-N 3.38Å; Y378-T381 VanDerWaalsContact O-N 3.09Å; T381-Q383 PolarHBondContact O-N 3.06Å; T381-I384 PolarHBondContact O-N 3.5Å; T381-R385 HydrophobicContact CG2-CG 4.37Å; T381-R385 WeakPolarHBondContact O-CG 3.36Å; T381-R385 PolarHBondContact O-N 2.91Å; T381-D459 WeakPolarHBondContact CG2-OD1 3.33Å; T381-D459 PolarHBondContact OG1-OD1 2.9Å; T381-Y462 HydrophobicContact CG2-CD1 3.83Å; T381-Y462 HydrophobicContact CG2-CE1 4.05Å; T381-Y462 HydrophobicContact CG2-CG 4.22Å; T381-L463 WeakPolarHBondContact OG1-CG 3.35Å
382	L	93.8	Very high	91.9	Very high	8 Å²	8	13.4 Å²	13.4	4%	0.042	6%	0.064	C	C	.	.	H	α-helix	trans	-58.5	-47.5	176	-68.7	173.3	0	0	0	112.2	L290 D291 Y378 Q379 I384 R385 Q386 I611	L290-L382 HydrophobicContact CB-CB 3.92Å; L290-L382 HydrophobicContact CB-CD1 4.09Å; D291-L382 HydrophobicContact CB-CD1 3.79Å; Y378-L382 HydrophobicContact CD1-CD1 4.13Å; Y378-L382 HydrophobicContact CE1-CD1 3.68Å; Y378-L382 HydrophobicContact CE1-CG 4.33Å; Y378-L382 HydrophobicContact CE2-CD1 4.47Å; Y378-L382 HydrophobicContact CE2-CD2 4.21Å; Y378-L382 HydrophobicContact CE2-CG 4.28Å; Y378-L382 WeakPolarHBondContact O-CG 3.48Å; Y378-L382 PolarHBondContact O-N 3.39Å; Q379-L382 PolarHBondContact O-N 3.21Å; L382-I384 VanDerWaalsContact C-N 3.27Å; L382-I384 PolarHBondContact O-N 2.85Å; L382-R385 WeakPolarHBondContact O-CB 3.34Å; L382-R385 PolarHBondContact O-N 2.85Å; L382-Q386 PolarHBondContact O-N 2.89Å; L382-I611 HydrophobicContact CD2-CD1 3.51Å; L382-I611 HydrophobicContact CD2-CG1 4.15Å
383	Q	94.5	Very high	91.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-58.3	-39.5	176.4	178.5	70.3	89.7	0	0	112.3	L290 Q360 V361 Y364 Q379 L380 T381 Q386 D387	L290-Q383 HydrophobicContact CD1-CB 4.25Å; L290-Q383 HydrophobicContact CD2-CB 4.06Å; Q360-Q383 VanDerWaalsContact CB-OE1 3.31Å; V361-Q383 HydrophobicContact CB-CB 4.35Å; V361-Q383 HydrophobicContact CB-CG 3.9Å; V361-Q383 HydrophobicContact CG2-CB 3.61Å; V361-Q383 HydrophobicContact CG2-CG 3.72Å; Y364-Q383 HydrophobicContact CE1-CG 4.21Å; Y364-Q383 WeakPolarHBondContact OH-CG 3.37Å; Q379-Q383 PolarHBondContact O-N 3.3Å; Q379-Q383 VanDerWaalsContact O-N 3.15Å; L380-Q383 PolarHBondContact O-N 3.48Å; T381-Q383 PolarHBondContact O-N 3.06Å; Q383-Q386 PolarHBondContact O-N 3.43Å; Q383-D387 PolarHBondContact NE2-OD1 3.47Å; Q383-D387 WeakPolarHBondContact O-CB 3.44Å; Q383-D387 PolarHBondContact O-N 3.42Å
384	I	94.2	Very high	91.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-74.5	-36.2	-179.1	-68.1	163	0	0	0	111.2	Y364 L380 T381 L382 Q386 D387 I388 L393 Y462 L463 A466 Y472	Y364-I384 HydrophobicContact CE1-CG1 4.4Å; L380-I384 HydrophobicContact CD1-CD1 3.9Å; L380-I384 HydrophobicContact CD1-CG1 4.41Å; L380-I384 HydrophobicContact CG-CD1 3.86Å; L380-I384 WeakPolarHBondContact O-CD1 3.49Å; L380-I384 WeakPolarHBondContact O-CG1 3.34Å; L380-I384 PolarHBondContact O-N 3.49Å; L380-I384 VanDerWaalsContact O-N 3.1Å; T381-I384 PolarHBondContact O-N 3.5Å; L382-I384 VanDerWaalsContact C-N 3.27Å; L382-I384 PolarHBondContact O-N 2.85Å; I384-Q386 VanDerWaalsContact C-N 3.33Å; I384-Q386 PolarHBondContact O-N 3.01Å; I384-D387 PolarHBondContact O-N 3.38Å; I384-I388 HydrophobicContact CG2-CD1 3.96Å; I384-I388 WeakPolarHBondContact O-CG1 3.36Å; I384-I388 PolarHBondContact O-N 2.89Å; I384-L393 HydrophobicContact CG2-CD2 3.97Å; I384-Y462 HydrophobicContact CB-CE1 4.08Å; I384-Y462 HydrophobicContact CG2-CE1 3.62Å; I384-L463 HydrophobicContact CD1-CD2 3.54Å; I384-A466 HydrophobicContact CD1-CB 4.45Å; I384-A466 HydrophobicContact CG2-CB 3.66Å; I384-Y472 HydrophobicContact CD1-CD2 4.34Å; I384-Y472 HydrophobicContact CD1-CE2 3.78Å
385	R	92.8	Very high	91.7	Very high	15 Å²	15	13.4 Å²	13.4	6%	0.057	7%	0.073	C	C	.	.	H	α-helix	trans	-56.3	-48.3	169.5	-69.7	170	-172.9	-176.5	11.3	110	T381 L382 I388 Y389 M407 E411 D459 Y462	T381-R385 HydrophobicContact CG2-CG 4.37Å; T381-R385 WeakPolarHBondContact O-CG 3.36Å; T381-R385 PolarHBondContact O-N 2.91Å; L382-R385 WeakPolarHBondContact O-CB 3.34Å; L382-R385 PolarHBondContact O-N 2.85Å; R385-I388 PolarHBondContact O-N 2.96Å; R385-Y389 WeakPolarHBondContact O-CB 3.48Å; R385-Y389 PolarHBondContact O-N 3.27Å; R385-M407 VanDerWaalsContact CD-SD 3.55Å; R385-M407 HydrophobicContact CG-SD 3.84Å; R385-E411 IonicContact CZ-OE1 3.28Å; R385-E411 IonicContact NH1-OE1 3.88Å; R385-E411 PolarHBondContact NH1-OE1 3.49Å; R385-E411 IonicContact NH2-OE1 3.86Å; R385-D459 IonicContact NH2-OD1 3.6Å; R385-Y462 WeakPolarHBondContact CA-OH 3.47Å; R385-Y462 HydrophobicContact CG-CE1 4.25Å; R385-Y462 HydrophobicContact CG-CE2 4.16Å; R385-Y462 WeakPolarHBondContact CG-OH 3.03Å
386	Q	90	Very high	91.7	Very high	11 Å²	11	16.1 Å²	16.1	5%	0.051	9%	0.092	C	C	.	.	H	α-helix	trans	-62.3	-45	174.5	-171.1	-158.4	11.1	0	0	112.7	L382 Q383 I384 I388 Y389 T390 S618	L382-Q386 PolarHBondContact O-N 2.89Å; Q383-Q386 PolarHBondContact O-N 3.43Å; I384-Q386 VanDerWaalsContact C-N 3.33Å; I384-Q386 PolarHBondContact O-N 3.01Å; Q386-I388 VanDerWaalsContact C-N 3.27Å; Q386-I388 PolarHBondContact O-N 2.86Å; Q386-Y389 PolarHBondContact O-N 2.9Å; Q386-T390 HydrophobicContact CG-CG2 4.12Å; Q386-T390 WeakPolarHBondContact O-CB 3.43Å; Q386-T390 WeakPolarHBondContact O-CG2 3.42Å; Q386-T390 PolarHBondContact O-N 2.92Å; Q386-T390 PolarHBondContact O-OG1 3.21Å; Q386-S618 PolarHBondContact NE2-OG 2.83Å; Q386-S618 PolarHBondContact OE1-OG 3.24Å; Q386-S618 VanDerWaalsContact OE1-OG 3.14Å
387	D	91	Very high	91.7	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-61.2	-36.7	-178.8	-77.1	-13.7	0	0	0	112.1	Y364 Q383 I384 T390 G391 K392 L393 R634	Y364-D387 PolarHBondContact OH-OD2 2.82Å; Q383-D387 PolarHBondContact NE2-OD1 3.47Å; Q383-D387 WeakPolarHBondContact O-CB 3.44Å; Q383-D387 PolarHBondContact O-N 3.42Å; I384-D387 PolarHBondContact O-N 3.38Å; D387-T390 PolarHBondContact O-OG1 2.96Å; D387-G391 CarbonylContact O-C 3.58Å; D387-G391 PolarHBondContact O-N 3.13Å; D387-K392 HydrophobicContact CB-CD 3.87Å; D387-K392 PolarHBondContact O-N 3.06Å; D387-K392 WeakPolarHBondContact OD1-CD 3.29Å; D387-K392 WeakPolarHBondContact OD1-CE 3.44Å; D387-K392 IonicContact OD1-NZ 2.6Å; D387-K392 PolarHBondContact OD1-NZ 3.09Å; D387-K392 IonicContact OD2-NZ 2.74Å; D387-K392 PolarHBondContact OD2-NZ 3.05Å; D387-L393 HydrophobicContact CB-CB 3.77Å; D387-L393 PolarHBondContact O-N 3.14Å; D387-R634 IonicContact OD1-NH1 3.67Å
388	I	91.1	Very high	91.7	Very high	13 Å²	13	25.2 Å²	25.2	7%	0.067	14%	0.137	C	C	.	.	H	α-helix	trans	-73.6	-45.6	175.3	-69	168.6	0	0	0	110.8	I384 R385 Q386 T390 G391 L393 L403	I384-I388 HydrophobicContact CG2-CD1 3.96Å; I384-I388 WeakPolarHBondContact O-CG1 3.36Å; I384-I388 PolarHBondContact O-N 2.89Å; R385-I388 PolarHBondContact O-N 2.96Å; Q386-I388 VanDerWaalsContact C-N 3.27Å; Q386-I388 PolarHBondContact O-N 2.86Å; I388-T390 PolarHBondContact O-N 2.89Å; I388-G391 WeakPolarHBondContact O-CA 3.23Å; I388-G391 PolarHBondContact O-N 2.82Å; I388-L393 HydrophobicContact CD1-CD2 4.43Å; I388-L393 HydrophobicContact CG1-CB 4.11Å; I388-L393 HydrophobicContact CG1-CD2 4.08Å; I388-L393 HydrophobicContact CG1-CG 4.15Å; I388-L403 HydrophobicContact CD1-CD1 3.51Å
389	Y	87.6	Confident	91.8	Very high	41 Å²	41	26.5 Å²	26.5	16%	0.161	15%	0.146	C	C	.	.	H	α-helix	trans	-60.8	-45	179	-178.9	-96.9	0	0	0	112.4	R385 Q386 G391 E430 V432 P433	R385-Y389 WeakPolarHBondContact O-CB 3.48Å; R385-Y389 PolarHBondContact O-N 3.27Å; Q386-Y389 PolarHBondContact O-N 2.9Å; Y389-G391 PolarHBondContact O-N 3.25Å; Y389-E430 HydrophobicContact CD2-CB 4.02Å; Y389-E430 WeakPolarHBondContact CD2-O 3.42Å; Y389-E430 HydrophobicContact CE2-CB 3.68Å; Y389-E430 HydrophobicContact CE2-CG 4.27Å; Y389-V432 WeakPolarHBondContact CE2-O 3.3Å; Y389-P433 HydrophobicContact CD2-CG 4.32Å; Y389-P433 HydrophobicContact CE1-CG 4.28Å; Y389-P433 HydrophobicContact CE2-CB 4.44Å; Y389-P433 HydrophobicContact CE2-CG 4.04Å; Y389-P433 VanDerWaalsContact O-CD 3.32Å; Y389-P433 WeakPolarHBondContact O-CD 3.49Å; Y389-P433 VanDerWaalsContact O-CG 3.3Å; Y389-P433 WeakPolarHBondContact O-CG 3.47Å
390	T	83.2	Confident	91.8	Very high	26 Å²	26	28.1 Å²	28.1	16%	0.16	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-7.8	173.9	59.1	0	0	0	0	113.5	Q386 D387 I388 K392 M619 H630 H636	Q386-T390 HydrophobicContact CG-CG2 4.12Å; Q386-T390 WeakPolarHBondContact O-CB 3.43Å; Q386-T390 WeakPolarHBondContact O-CG2 3.42Å; Q386-T390 PolarHBondContact O-N 2.92Å; Q386-T390 PolarHBondContact O-OG1 3.21Å; D387-T390 PolarHBondContact O-OG1 2.96Å; I388-T390 PolarHBondContact O-N 2.89Å; T390-K392 PolarHBondContact O-N 3Å; T390-M619 HydrophobicContact CG2-CE 4.37Å; T390-M619 HydrophobicContact CG2-SD 3.69Å; T390-H630 PolarHBondContact O-CE1 2.81Å; T390-H630 PolarHBondContact O-ND1 3.2Å; T390-H636 PolarHBondContact O-CD2 3.07Å; T390-H636 PolarHBondContact O-NE2 3.07Å
391	G	84.9	Confident	91.9	Very high	10 Å²	10	28 Å²	28	10%	0.103	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	4.6	178.3	0	0	0	0	0	115.8	D387 I388 Y389 L393 H636 P637	D387-G391 CarbonylContact O-C 3.58Å; D387-G391 PolarHBondContact O-N 3.13Å; I388-G391 WeakPolarHBondContact O-CA 3.23Å; I388-G391 PolarHBondContact O-N 2.82Å; Y389-G391 PolarHBondContact O-N 3.25Å; G391-L393 PolarHBondContact O-N 3.11Å; G391-H636 VanDerWaalsContact C-NE2 3.33Å; G391-H636 VanDerWaalsContact CA-NE2 3.28Å; G391-H636 WeakPolarHBondContact CA-NE2 3.31Å; G391-H636 PolarHBondContact O-NE2 2.99Å; G391-P637 WeakPolarHBondContact O-CD 3.4Å; G391-P637 WeakPolarHBondContact O-CG 3.45Å
392	K	87	Confident	92	Very high	21 Å²	21	30.5 Å²	30.5	9%	0.091	17%	0.166	C	C	.	.	S	Bend	trans	-55.3	-39.3	170.3	175.6	-137.9	-177.9	-175.8	0	111.4	Y364 D387 T390 P394 R634	Y364-K392 PolarHBondContact OH-NZ 3.46Å; D387-K392 HydrophobicContact CB-CD 3.87Å; D387-K392 PolarHBondContact O-N 3.06Å; D387-K392 WeakPolarHBondContact OD1-CD 3.29Å; D387-K392 WeakPolarHBondContact OD1-CE 3.44Å; D387-K392 IonicContact OD1-NZ 2.6Å; D387-K392 PolarHBondContact OD1-NZ 3.09Å; D387-K392 IonicContact OD2-NZ 2.74Å; D387-K392 PolarHBondContact OD2-NZ 3.05Å; T390-K392 PolarHBondContact O-N 3Å; K392-P394 WeakPolarHBondContact O-CD 3.45Å; K392-R634 HydrophobicContact CG-CB 4.48Å
393	L	91.1	Very high	92.1	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	17%	0.165	C	C	.	.	S	Bend	trans	-105.9	96.5	172.8	-176	58.7	0	0	0	109.4	I384 D387 I388 G391 L469 L471	I384-L393 HydrophobicContact CG2-CD2 3.97Å; D387-L393 HydrophobicContact CB-CB 3.77Å; D387-L393 PolarHBondContact O-N 3.14Å; I388-L393 HydrophobicContact CD1-CD2 4.43Å; I388-L393 HydrophobicContact CG1-CB 4.11Å; I388-L393 HydrophobicContact CG1-CD2 4.08Å; I388-L393 HydrophobicContact CG1-CG 4.15Å; G391-L393 PolarHBondContact O-N 3.11Å; L393-L469 HydrophobicContact CD1-CB 3.72Å; L393-L469 HydrophobicContact CD1-CD1 4.19Å; L393-L469 HydrophobicContact CD2-CD1 3.98Å; L393-L469 HydrophobicContact CG-CB 4.32Å; L393-L469 HydrophobicContact CG-CD1 3.84Å; L393-L471 VanDerWaalsContact CD1-C 3.42Å; L393-L471 HydrophobicContact CD1-CB 4.12Å
394	P	90	Very high	92.1	Very high	61 Å²	61	30.5 Å²	30.5	40%	0.396	17%	0.167	S	C	.	.			trans	-77.2	141.4	-177.2	33.5	-32.1	0	0	0	109.9	K392 L471 P637	K392-P394 WeakPolarHBondContact O-CD 3.45Å; P394-L471 HydrophobicContact CG-CD1 4.05Å; P394-P637 HydrophobicContact CB-CB 4.37Å; P394-P637 HydrophobicContact CB-CG 4.17Å; P394-P637 HydrophobicContact CG-CB 3.96Å; P394-P637 HydrophobicContact CG-CG 3.67Å
395	C	90.9	Very high	92.3	Very high	31 Å²	31	30.5 Å²	30.5	21%	0.209	17%	0.167	C	C	.	.			trans	-137.5	160.1	177.5	62.4	0	0	0	0	111	T399 L469	C395-T399 HydrophobicContact CB-CG2 4.26Å; C395-L469 HydrophobicContact CB-CD1 3.76Å; C395-L469 HydrophobicContact CB-CD2 3.8Å; C395-L469 HydrophobicContact CB-CG 4.47Å
396	S	94	Very high	92.4	Very high	61 Å²	61	30.5 Å²	30.5	43%	0.427	17%	0.167	S	C	.	.			trans	-72	157.2	173.8	81.9	0	0	0	0	110.6	V398 T399 Q400	S396-V398 PolarHBondContact O-N 3.31Å; S396-V398 PolarHBondContact OG-N 2.94Å; S396-T399 WeakPolarHBondContact O-CB 3.47Å; S396-T399 PolarHBondContact O-N 3.16Å; S396-T399 VanDerWaalsContact O-N 3.08Å; S396-T399 PolarHBondContact OG-N 3.13Å; S396-T399 PolarHBondContact OG-OG1 3.39Å; S396-Q400 WeakPolarHBondContact O-CB 3.25Å; S396-Q400 PolarHBondContact O-N 3.2Å
397	W	94.6	Very high	92.6	Very high	116 Å²	116	30.5 Å²	30.5	44%	0.439	17%	0.167	S	C	.	.	H	α-helix	trans	-55.8	-38	175.4	179.8	89.5	0	0	0	112.6	Q400 A401 Q438 K442	W397-Q400 PolarHBondContact O-N 3.39Å; W397-A401 PolarHBondContact O-N 3.41Å; W397-Q438 HydrophobicContact CZ2-CB 4.47Å; W397-K442 HydrophobicContact CH2-CB 3.68Å; W397-K442 HydrophobicContact CH2-CG 3.75Å; W397-K442 HydrophobicContact CZ2-CB 4.03Å; W397-K442 HydrophobicContact CZ3-CG 4.18Å
398	V	95.8	Very high	92.8	Very high	100 Å²	100	30.4 Å²	30.4	61%	0.606	17%	0.167	S	C	*	.	H	α-helix	trans	-65.3	-45.5	176	-178.5	0	0	0	0	111	S396 Q400 A401 L402	S396-V398 PolarHBondContact O-N 3.31Å; S396-V398 PolarHBondContact OG-N 2.94Å; V398-Q400 VanDerWaalsContact C-N 3.28Å; V398-Q400 PolarHBondContact O-N 3.46Å; V398-A401 PolarHBondContact O-N 2.94Å; V398-L402 WeakPolarHBondContact O-CB 3.48Å; V398-L402 PolarHBondContact O-N 3.39Å
399	T	96.4	Very high	92.9	Very high	32 Å²	32	29.8 Å²	29.8	20%	0.196	16%	0.164	C	C	.	.	H	α-helix	trans	-63.4	-36.6	175.8	-43.8	0	0	0	0	111.5	C395 S396 L402 L403 T465 L469	C395-T399 HydrophobicContact CB-CG2 4.26Å; S396-T399 WeakPolarHBondContact O-CB 3.47Å; S396-T399 PolarHBondContact O-N 3.16Å; S396-T399 VanDerWaalsContact O-N 3.08Å; S396-T399 PolarHBondContact OG-N 3.13Å; S396-T399 PolarHBondContact OG-OG1 3.39Å; T399-L402 PolarHBondContact O-N 2.68Å; T399-L403 HydrophobicContact CG2-CD1 3.99Å; T399-L403 HydrophobicContact CG2-CG 4.33Å; T399-L403 WeakPolarHBondContact O-CB 3.48Å; T399-L403 VanDerWaalsContact O-CG 3.27Å; T399-L403 WeakPolarHBondContact O-CG 3.11Å; T399-L403 PolarHBondContact O-N 2.88Å; T399-T465 HydrophobicContact CG2-CG2 3.99Å; T399-L469 HydrophobicContact CG2-CD2 4.24Å
400	Q	94.5	Very high	93.2	Very high	37 Å²	37	28 Å²	28	17%	0.173	16%	0.157	C	C	.	.	H	α-helix	trans	-67.9	-43.1	179	-169.8	156.9	71	0	0	112.1	S396 W397 V398 G404 V432 L439	S396-Q400 WeakPolarHBondContact O-CB 3.25Å; S396-Q400 PolarHBondContact O-N 3.2Å; W397-Q400 PolarHBondContact O-N 3.39Å; V398-Q400 VanDerWaalsContact C-N 3.28Å; V398-Q400 PolarHBondContact O-N 3.46Å; Q400-G404 PolarHBondContact O-N 3.38Å; Q400-V432 HydrophobicContact CG-CG1 4.33Å; Q400-L439 HydrophobicContact CB-CD1 4.5Å; Q400-L439 HydrophobicContact CG-CD1 4.33Å; Q400-L439 HydrophobicContact CG-CD2 4.31Å
401	A	96.8	Very high	93.6	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	15%	0.154	C	C	.	.	H	α-helix	trans	-62.5	-42.1	172.7	0	0	0	0	0	111.9	W397 V398 G404 S405 L439 K442 I443 L446	W397-A401 PolarHBondContact O-N 3.41Å; V398-A401 PolarHBondContact O-N 2.94Å; A401-G404 PolarHBondContact O-N 2.98Å; A401-S405 PolarHBondContact O-N 3.27Å; A401-L439 HydrophobicContact CB-CD1 3.84Å; A401-K442 HydrophobicContact CB-CB 4.04Å; A401-K442 HydrophobicContact CB-CG 3.75Å; A401-I443 HydrophobicContact CB-CG1 4.39Å; A401-L446 HydrophobicContact CB-CD1 4.12Å
402	L	97.5	Very high	93.8	Very high	53 Å²	53	30.1 Å²	30.1	28%	0.277	16%	0.164	S	C	.	.	H	α-helix	trans	-64	-49.2	177.4	-177.9	60.9	0	0	0	112.2	V398 T399 G404 S405 F406 L446 T465	V398-L402 WeakPolarHBondContact O-CB 3.48Å; V398-L402 PolarHBondContact O-N 3.39Å; T399-L402 PolarHBondContact O-N 2.68Å; L402-G404 VanDerWaalsContact C-N 3.33Å; L402-G404 PolarHBondContact O-N 3.31Å; L402-S405 PolarHBondContact O-N 3.47Å; L402-S405 PolarHBondContact O-OG 3.08Å; L402-F406 HydrophobicContact CD1-CD2 4.44Å; L402-F406 HydrophobicContact CD1-CE1 4.36Å; L402-F406 HydrophobicContact CD1-CE2 3.7Å; L402-F406 HydrophobicContact CD1-CZ 3.64Å; L402-F406 HydrophobicContact CD2-CE2 4.24Å; L402-F406 HydrophobicContact CG-CD2 4.3Å; L402-F406 HydrophobicContact CG-CE2 3.66Å; L402-F406 HydrophobicContact CG-CZ 4.13Å; L402-F406 WeakPolarHBondContact O-CD2 3.19Å; L402-F406 PolarHBondContact O-N 2.7Å; L402-F406 VanDerWaalsContact O-N 3.13Å; L402-L446 HydrophobicContact CB-CD1 4.47Å; L402-T465 HydrophobicContact CD2-CG2 4.09Å
403	L	96.9	Very high	94.1	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	17%	0.171	C	C	.	.	H	α-helix	trans	-62.7	-38.8	176.2	-71.3	174.8	0	0	0	111.9	I388 T399 S405 F406 M407 Y462 T465 A466	I388-L403 HydrophobicContact CD1-CD1 3.51Å; T399-L403 HydrophobicContact CG2-CD1 3.99Å; T399-L403 HydrophobicContact CG2-CG 4.33Å; T399-L403 WeakPolarHBondContact O-CB 3.48Å; T399-L403 VanDerWaalsContact O-CG 3.27Å; T399-L403 WeakPolarHBondContact O-CG 3.11Å; T399-L403 PolarHBondContact O-N 2.88Å; L403-S405 VanDerWaalsContact C-N 3.35Å; L403-S405 PolarHBondContact O-N 3.08Å; L403-F406 PolarHBondContact O-N 2.81Å; L403-M407 WeakPolarHBondContact O-CB 3.4Å; L403-M407 PolarHBondContact O-N 2.78Å; L403-Y462 HydrophobicContact CB-CD2 4.1Å; L403-Y462 HydrophobicContact CB-CE2 3.68Å; L403-Y462 HydrophobicContact CD2-CD1 4.15Å; L403-Y462 HydrophobicContact CD2-CD2 3.72Å; L403-Y462 HydrophobicContact CD2-CE1 4.3Å; L403-Y462 HydrophobicContact CD2-CE2 3.89Å; L403-Y462 HydrophobicContact CD2-CG 3.82Å; L403-Y462 WeakPolarHBondContact CD2-O 3.36Å; L403-Y462 HydrophobicContact CG-CE2 4.32Å; L403-Y462 VanDerWaalsContact O-CD2 3.29Å; L403-Y462 WeakPolarHBondContact O-CD2 3.48Å; L403-Y462 VanDerWaalsContact O-CE2 3.27Å; L403-Y462 WeakPolarHBondContact O-CE2 3.46Å; L403-T465 HydrophobicContact CD2-CG2 3.79Å; L403-T465 HydrophobicContact CG-CG2 4.12Å; L403-A466 HydrophobicContact CD2-CB 4.45Å
404	G	95.1	Very high	94.3	Very high	3 Å²	3	33.3 Å²	33.3	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-59.9	-41.6	172.3	0	0	0	0	0	112.9	Q400 A401 L402 M407 I408	Q400-G404 PolarHBondContact O-N 3.38Å; A401-G404 PolarHBondContact O-N 2.98Å; L402-G404 VanDerWaalsContact C-N 3.33Å; L402-G404 PolarHBondContact O-N 3.31Å; G404-M407 WeakPolarHBondContact O-CB 3.37Å; G404-M407 PolarHBondContact O-N 2.92Å; G404-I408 WeakPolarHBondContact O-CG1 3.39Å; G404-I408 PolarHBondContact O-N 3.05Å
405	S	96.4	Very high	94.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.7	-37.7	178	71.2	0	0	0	0	113.8	A401 L402 L403 Q409 L446 H450	A401-S405 PolarHBondContact O-N 3.27Å; L402-S405 PolarHBondContact O-N 3.47Å; L402-S405 PolarHBondContact O-OG 3.08Å; L403-S405 VanDerWaalsContact C-N 3.35Å; L403-S405 PolarHBondContact O-N 3.08Å; S405-Q409 WeakPolarHBondContact O-CB 3.37Å; S405-Q409 PolarHBondContact O-N 3.38Å; S405-Q409 VanDerWaalsContact O-N 3.08Å; S405-L446 VanDerWaalsContact CB-CB 3.47Å; S405-H450 PolarHBondContact OG-NE2 3.26Å
406	F	96.7	Very high	94.7	Very high	14 Å²	14	32.4 Å²	32.4	6%	0.061	18%	0.176	C	C	.	.	H	α-helix	trans	-70.1	-35.4	172.3	-63.5	-43.6	0	0	0	112.4	L402 L403 A410 H450 M453 K461 Y462	L402-F406 HydrophobicContact CD1-CD2 4.44Å; L402-F406 HydrophobicContact CD1-CE1 4.36Å; L402-F406 HydrophobicContact CD1-CE2 3.7Å; L402-F406 HydrophobicContact CD1-CZ 3.64Å; L402-F406 HydrophobicContact CD2-CE2 4.24Å; L402-F406 HydrophobicContact CG-CD2 4.3Å; L402-F406 HydrophobicContact CG-CE2 3.66Å; L402-F406 HydrophobicContact CG-CZ 4.13Å; L402-F406 WeakPolarHBondContact O-CD2 3.19Å; L402-F406 PolarHBondContact O-N 2.7Å; L402-F406 VanDerWaalsContact O-N 3.13Å; L403-F406 PolarHBondContact O-N 2.81Å; F406-A410 WeakPolarHBondContact O-CB 3.42Å; F406-A410 PolarHBondContact O-N 3.16Å; F406-H450 AromaticContact CD1-CE1 3.86Å; F406-H450 AromaticContact CD1-NE2 3.63Å; F406-H450 AromaticContact CE1-CE1 3.37Å; F406-H450 WeakPolarHBondContact CE1-CE1 3.44Å; F406-H450 AromaticContact CE1-ND1 3.91Å; F406-H450 AromaticContact CE1-NE2 3.59Å; F406-M453 HydrophobicContact CD1-CE 4.3Å; F406-M453 HydrophobicContact CD1-SD 4.4Å; F406-M453 HydrophobicContact CE1-CE 4.17Å; F406-K461 HydrophobicContact CD1-CB 4.12Å; F406-K461 HydrophobicContact CD1-CD 4.47Å; F406-K461 HydrophobicContact CD2-CB 4.14Å; F406-K461 HydrophobicContact CE1-CB 3.84Å; F406-K461 HydrophobicContact CE1-CD 3.75Å; F406-K461 HydrophobicContact CE1-CG 4.46Å; F406-K461 HydrophobicContact CE2-CB 3.85Å; F406-K461 HydrophobicContact CG-CB 4.27Å; F406-K461 HydrophobicContact CZ-CB 3.7Å; F406-K461 HydrophobicContact CZ-CD 4.04Å; F406-K461 HydrophobicContact CZ-CG 4.46Å; F406-Y462 HydrophobicContact CB-CD2 4.16Å
407	M	94	Very high	94.5	Very high	11 Å²	11	33.7 Å²	33.7	5%	0.054	18%	0.183	C	C	.	.	H	α-helix	trans	-61.6	-45.8	174.3	167.3	166.1	169.2	0	0	111.4	R385 L403 G404 A410 E411 F429 F431 Y462	R385-M407 VanDerWaalsContact CD-SD 3.55Å; R385-M407 HydrophobicContact CG-SD 3.84Å; L403-M407 WeakPolarHBondContact O-CB 3.4Å; L403-M407 PolarHBondContact O-N 2.78Å; G404-M407 WeakPolarHBondContact O-CB 3.37Å; G404-M407 PolarHBondContact O-N 2.92Å; M407-A410 PolarHBondContact O-N 3.13Å; M407-E411 WeakPolarHBondContact O-CG 3.36Å; M407-E411 PolarHBondContact O-N 3.49Å; M407-F429 HydrophobicContact CE-CB 4.39Å; M407-F429 HydrophobicContact CE-CD1 3.9Å; M407-F431 HydrophobicContact CG-CE1 4.48Å; M407-F431 HydrophobicContact SD-CD1 4.28Å; M407-F431 HydrophobicContact SD-CE1 4.35Å; M407-Y462 HydrophobicContact CB-CD2 4.46Å; M407-Y462 HydrophobicContact CB-CE2 4.21Å
408	I	93.5	Very high	94.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-47.2	176.7	-71.2	-64.4	0	0	0	112	G404 A410 E411 L412 Y425 L426 F429 F431 I443 H447	G404-I408 WeakPolarHBondContact O-CG1 3.39Å; G404-I408 PolarHBondContact O-N 3.05Å; I408-A410 PolarHBondContact O-N 3.08Å; I408-A410 VanDerWaalsContact O-N 3.14Å; I408-E411 PolarHBondContact O-N 3.39Å; I408-E411 VanDerWaalsContact O-N 3.09Å; I408-L412 HydrophobicContact CD1-CD1 4.42Å; I408-L412 HydrophobicContact CG2-CD1 4.12Å; I408-L412 PolarHBondContact O-N 3.26Å; I408-Y425 HydrophobicContact CG2-CE2 4.14Å; I408-L426 HydrophobicContact CD1-CD2 3.56Å; I408-L426 HydrophobicContact CG1-CD2 3.67Å; I408-F429 HydrophobicContact CD1-CB 4.32Å; I408-F429 HydrophobicContact CD1-CD1 3.73Å; I408-F429 HydrophobicContact CD1-CD2 3.44Å; I408-F429 VanDerWaalsContact CD1-CD2 3.44Å; I408-F429 HydrophobicContact CD1-CE1 3.74Å; I408-F429 HydrophobicContact CD1-CE2 3.45Å; I408-F429 VanDerWaalsContact CD1-CE2 3.45Å; I408-F429 HydrophobicContact CD1-CG 3.56Å; I408-F429 HydrophobicContact CD1-CZ 3.58Å; I408-F431 HydrophobicContact CD1-CE1 4.37Å; I408-F431 HydrophobicContact CD1-CZ 3.79Å; I408-F431 HydrophobicContact CG1-CE1 3.99Å; I408-F431 HydrophobicContact CG1-CZ 3.65Å; I408-I443 HydrophobicContact CG1-CG2 4.19Å; I408-H447 WeakPolarHBondContact CG2-CE1 3.47Å; I408-H447 WeakPolarHBondContact CG2-ND1 3.31Å
409	Q	95.2	Very high	94	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-55.8	-32	175.5	-175.9	70.2	36.8	0	0	112.4	S405 G413 D414 H450 M453 A458	S405-Q409 WeakPolarHBondContact O-CB 3.37Å; S405-Q409 PolarHBondContact O-N 3.38Å; S405-Q409 VanDerWaalsContact O-N 3.08Å; Q409-G413 WeakPolarHBondContact O-CA 3.03Å; Q409-G413 PolarHBondContact O-N 2.84Å; Q409-G413 PolarHBondContact OE1-O 2.97Å; Q409-D414 PolarHBondContact NE2-OD1 2.73Å; Q409-H450 HydrophobicContact CB-CB 4.3Å; Q409-H450 HydrophobicContact CG-CB 3.95Å; Q409-H450 PolarHBondContact NE2-O 2.78Å; Q409-M453 HydrophobicContact CG-CB 4.12Å; Q409-M453 PolarHBondContact NE2-O 3.21Å; Q409-A458 HydrophobicContact CB-CB 4.29Å; Q409-A458 HydrophobicContact CG-CB 4.14Å
410	A	93.3	Very high	93.7	Very high	2 Å²	2	36.6 Å²	36.6	2%	0.017	19%	0.194	C	C	.	.	H	α-helix	trans	-81.1	-21.1	179.9	0	0	0	0	0	115.1	F406 M407 I408 P455 A458	F406-A410 WeakPolarHBondContact O-CB 3.42Å; F406-A410 PolarHBondContact O-N 3.16Å; M407-A410 PolarHBondContact O-N 3.13Å; I408-A410 PolarHBondContact O-N 3.08Å; I408-A410 VanDerWaalsContact O-N 3.14Å; A410-P455 HydrophobicContact CB-CB 4.41Å; A410-A458 HydrophobicContact CB-CB 3.97Å
411	E	90.2	Very high	93.3	Very high	22 Å²	22	40.6 Å²	40.6	10%	0.103	22%	0.216	C	C	.	.	H	α-helix	trans	-105.6	-34.6	-178.3	-56.7	-71.6	140.5	0	0	112.6	R385 M407 I408 F429 I611	R385-E411 IonicContact CZ-OE1 3.28Å; R385-E411 IonicContact NH1-OE1 3.88Å; R385-E411 PolarHBondContact NH1-OE1 3.49Å; R385-E411 IonicContact NH2-OE1 3.86Å; M407-E411 WeakPolarHBondContact O-CG 3.36Å; M407-E411 PolarHBondContact O-N 3.49Å; I408-E411 PolarHBondContact O-N 3.39Å; I408-E411 VanDerWaalsContact O-N 3.09Å; E411-F429 HydrophobicContact CB-CE1 3.91Å; E411-F429 HydrophobicContact CB-CZ 4.29Å; E411-F429 HydrophobicContact CG-CE1 4.06Å; E411-I611 WeakPolarHBondContact OE2-CG1 3.48Å; E411-I611 PolarHBondContact OE2-N 2.98Å; E411-I611 VanDerWaalsContact OE2-N 3.12Å
412	L	91	Very high	92.8	Very high	60 Å²	60	42.9 Å²	42.9	31%	0.314	24%	0.239	S	C	.	.	H	α-helix	trans	-105.7	-20.1	-178	-59.5	-173.8	0	0	0	114.1	I408 Y425 F429 L612	I408-L412 HydrophobicContact CD1-CD1 4.42Å; I408-L412 HydrophobicContact CG2-CD1 4.12Å; I408-L412 PolarHBondContact O-N 3.26Å; L412-Y425 HydrophobicContact CD1-CD2 3.63Å; L412-Y425 HydrophobicContact CD1-CE2 4.05Å; L412-F429 HydrophobicContact CD1-CE2 4.04Å; L412-F429 HydrophobicContact CD1-CZ 4.06Å; L412-F429 HydrophobicContact CD2-CE2 4.48Å; L412-F429 HydrophobicContact CD2-CZ 3.95Å; L412-F429 HydrophobicContact CG-CE2 4.37Å; L412-F429 HydrophobicContact CG-CZ 3.89Å; L412-L612 HydrophobicContact CD2-CD1 4.03Å; L412-L612 HydrophobicContact CD2-CD2 4.37Å
413	G	92.8	Very high	92.4	Very high	23 Å²	23	42.1 Å²	42.1	24%	0.237	24%	0.235	C	C	.	.			trans	83.4	-145	-169.8	0	0	0	0	0	112.1	Q409 H447	Q409-G413 WeakPolarHBondContact O-CA 3.03Å; Q409-G413 PolarHBondContact O-N 2.84Å; Q409-G413 PolarHBondContact OE1-O 2.97Å; G413-H447 PolarHBondContact O-NE2 3.26Å
414	D	95.4	Very high	91.9	Very high	68 Å²	68	47.3 Å²	47.3	36%	0.364	26%	0.263	S	S	.	.	S	Bend	trans	-74.6	153.3	-174.2	-71.5	-15.9	0	0	0	113.7	Q409 D416 H420 T451 G452	Q409-D414 PolarHBondContact NE2-OD1 2.73Å; D414-D416 PolarHBondContact O-N 3.37Å; D414-H420 PolarHBondContact O-CE1 2.84Å; D414-T451 HydrophobicContact CB-CG2 4.19Å; D414-T451 WeakPolarHBondContact OD1-CA 3.06Å; D414-G452 PolarHBondContact OD1-N 3.44Å; D414-G452 PolarHBondContact OD2-N 3.19Å
415	F	94.9	Very high	91.6	Very high	31 Å²	31	48.7 Å²	48.7	14%	0.136	27%	0.267	C	S	.	.			trans	-66.6	99.9	174.9	-176.7	-87.1	0	0	0	111.8	P417 H420 V444 H447 K448	F415-P417 HydrophobicContact CD1-CG 4.38Å; F415-P417 HydrophobicContact CE1-CB 4.14Å; F415-P417 HydrophobicContact CE1-CG 4Å; F415-H420 HydrophobicContact CD2-CB 3.83Å; F415-H420 AromaticContact CD2-ND1 3.95Å; F415-H420 HydrophobicContact CE2-CB 3.35Å; F415-H420 HydrophobicContact CZ-CB 3.88Å; F415-V444 HydrophobicContact CE2-CG1 3.87Å; F415-H447 AromaticContact CD2-CE1 3.92Å; F415-H447 AromaticContact CD2-ND1 3.63Å; F415-H447 PolarHBondContact N-NE2 3.46Å; F415-K448 HydrophobicContact CB-CG 4.08Å; F415-K448 HydrophobicContact CD1-CD 4.31Å; F415-K448 HydrophobicContact CD1-CG 3.58Å; F415-K448 HydrophobicContact CD2-CG 3.89Å; F415-K448 HydrophobicContact CE1-CD 4.29Å; F415-K448 HydrophobicContact CE1-CG 4.04Å; F415-K448 HydrophobicContact CE2-CG 4.29Å; F415-K448 HydrophobicContact CG-CG 3.53Å; F415-K448 HydrophobicContact CZ-CD 4.48Å; F415-K448 HydrophobicContact CZ-CG 4.38Å
416	D	93.5	Very high	91.3	Very high	42 Å²	42	48.7 Å²	48.7	23%	0.225	27%	0.267	C	S	.	.			trans	-85.6	118.8	165.8	-175.5	-34.1	0	0	0	111.5	D414 D418 K419 H420	D414-D416 PolarHBondContact O-N 3.37Å; D416-D418 VanDerWaalsContact C-N 3.32Å; D416-D418 PolarHBondContact O-N 2.77Å; D416-D418 WeakPolarHBondContact OD1-CB 3.42Å; D416-D418 PolarHBondContact OD1-N 3.15Å; D416-K419 HydrophobicContact CB-CB 4.18Å; D416-K419 HydrophobicContact CB-CD 4.45Å; D416-K419 HydrophobicContact CB-CG 4.32Å; D416-K419 PolarHBondContact O-N 3.32Å; D416-K419 PolarHBondContact OD1-N 3.32Å; D416-K419 IonicContact OD2-NZ 3.97Å; D416-K419 PolarHBondContact OD2-NZ 2.98Å; D416-H420 PolarHBondContact N-ND1 3.48Å; D416-H420 WeakPolarHBondContact O-CB 3.37Å; D416-H420 PolarHBondContact O-N 3.2Å; D416-H420 PolarHBondContact O-ND1 3.36Å
417	P	90.8	Very high	90.6	Very high	87 Å²	87	53 Å²	53	57%	0.565	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-30.8	178.5	-21	32.5	0	0	0	115.3	F415 I421	F415-P417 HydrophobicContact CD1-CG 4.38Å; F415-P417 HydrophobicContact CE1-CB 4.14Å; F415-P417 HydrophobicContact CE1-CG 4Å; P417-I421 WeakPolarHBondContact O-CG1 3.33Å
418	D	90.2	Very high	89.9	Confident	139 Å²	139	59 Å²	59	74%	0.743	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-24.1	-174.4	-60.8	-31.1	0	0	0	111.4	D416	D416-D418 VanDerWaalsContact C-N 3.32Å; D416-D418 PolarHBondContact O-N 2.77Å; D416-D418 WeakPolarHBondContact OD1-CB 3.42Å; D416-D418 PolarHBondContact OD1-N 3.15Å
419	K	89	Confident	89.5	Confident	153 Å²	153	59.4 Å²	59.4	67%	0.665	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-40.7	173.7	-60.7	-174.2	-175.8	75	0	113	D416 I421	D416-K419 HydrophobicContact CB-CB 4.18Å; D416-K419 HydrophobicContact CB-CD 4.45Å; D416-K419 HydrophobicContact CB-CG 4.32Å; D416-K419 PolarHBondContact O-N 3.32Å; D416-K419 PolarHBondContact OD1-N 3.32Å; D416-K419 IonicContact OD2-NZ 3.97Å; D416-K419 PolarHBondContact OD2-NZ 2.98Å; K419-I421 VanDerWaalsContact C-N 3.3Å; K419-I421 PolarHBondContact O-N 3.27Å
420	H	89.6	Confident	88.9	Confident	18 Å²	18	61.5 Å²	61.5	8%	0.083	33%	0.331	C	S	.	.	S	Bend	trans	-95	51.2	-171.9	-57.3	131.6	0	0	0	112.3	D414 F415 D416 Y425 H447	D414-H420 PolarHBondContact O-CE1 2.84Å; F415-H420 HydrophobicContact CD2-CB 3.83Å; F415-H420 AromaticContact CD2-ND1 3.95Å; F415-H420 HydrophobicContact CE2-CB 3.35Å; F415-H420 HydrophobicContact CZ-CB 3.88Å; D416-H420 PolarHBondContact N-ND1 3.48Å; D416-H420 WeakPolarHBondContact O-CB 3.37Å; D416-H420 PolarHBondContact O-N 3.2Å; D416-H420 PolarHBondContact O-ND1 3.36Å; H420-Y425 HydrophobicContact CB-CD1 3.79Å; H420-Y425 HydrophobicContact CB-CD2 4.22Å; H420-Y425 HydrophobicContact CB-CE1 3.63Å; H420-Y425 HydrophobicContact CB-CE2 4.06Å; H420-Y425 HydrophobicContact CB-CG 4.07Å; H420-Y425 AromaticContact CD2-CD2 3.3Å; H420-Y425 WeakPolarHBondContact CD2-CD2 3.49Å; H420-Y425 AromaticContact CD2-CE2 3.61Å; H420-Y425 AromaticContact CD2-CG 3.67Å; H420-Y425 AromaticContact CG-CD2 3.94Å; H420-Y425 AromaticContact CG-CE2 3.85Å; H420-H447 AromaticContact CE1-CE1 3.82Å; H420-H447 AromaticContact ND1-CE1 3.83Å
421	I	86	Confident	88.5	Confident	121 Å²	121	62.1 Å²	62.1	62%	0.621	33%	0.333	S	S	*	.			trans	-71.4	134.7	179.6	-58.5	176.6	0	0	0	109.7	P417 K419	P417-I421 WeakPolarHBondContact O-CG1 3.33Å; K419-I421 VanDerWaalsContact C-N 3.3Å; K419-I421 PolarHBondContact O-N 3.27Å
422	G	86.5	Confident	88.2	Confident	48 Å²	48	62.1 Å²	62.1	50%	0.495	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	-131.8	174.6	0	0	0	0	0	113.9
423	L	88.9	Confident	87.7	Confident	38 Å²	38	63.1 Å²	63.1	20%	0.199	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-7.6	174.5	-61.4	180	0	0	0	112.3	Y425 L426 P437 L440 K441 V444	L423-Y425 VanDerWaalsContact C-N 3.31Å; L423-Y425 PolarHBondContact O-N 3.41Å; L423-L426 VanDerWaalsContact O-CB 3.27Å; L423-L426 WeakPolarHBondContact O-CB 3.27Å; L423-L426 PolarHBondContact O-N 2.97Å; L423-P437 HydrophobicContact CD1-CB 4.48Å; L423-L440 HydrophobicContact CD1-CB 4.17Å; L423-L440 HydrophobicContact CD2-CB 4.1Å; L423-K441 HydrophobicContact CD1-CG 4.16Å; L423-K441 HydrophobicContact CD2-CG 3.88Å; L423-V444 HydrophobicContact CD2-CG2 3.77Å
424	D	86.6	Confident	87.2	Confident	113 Å²	113	66.8 Å²	66.8	60%	0.604	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-72.6	-27.2	-159.3	-59.7	-63.1	0	0	0	113.4	L426 N427	D424-L426 PolarHBondContact O-N 2.89Å; D424-L426 VanDerWaalsContact O-N 3.11Å; D424-N427 WeakPolarHBondContact CA-ND2 3.16Å; D424-N427 WeakPolarHBondContact O-CB 3.37Å; D424-N427 PolarHBondContact O-N 3.42Å; D424-N427 PolarHBondContact OD1-ND2 3.05Å; D424-N427 VanDerWaalsContact OD1-ND2 3.08Å
425	Y	89.3	Confident	86.5	Confident	32 Å²	32	66.5 Å²	66.5	13%	0.125	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-62.3	-13.4	169.9	84.2	-84.8	0	0	0	113.8	I408 L412 H420 L423 F429 V444 H447	I408-Y425 HydrophobicContact CG2-CE2 4.14Å; L412-Y425 HydrophobicContact CD1-CD2 3.63Å; L412-Y425 HydrophobicContact CD1-CE2 4.05Å; H420-Y425 HydrophobicContact CB-CD1 3.79Å; H420-Y425 HydrophobicContact CB-CD2 4.22Å; H420-Y425 HydrophobicContact CB-CE1 3.63Å; H420-Y425 HydrophobicContact CB-CE2 4.06Å; H420-Y425 HydrophobicContact CB-CG 4.07Å; H420-Y425 AromaticContact CD2-CD2 3.3Å; H420-Y425 WeakPolarHBondContact CD2-CD2 3.49Å; H420-Y425 AromaticContact CD2-CE2 3.61Å; H420-Y425 AromaticContact CD2-CG 3.67Å; H420-Y425 AromaticContact CG-CD2 3.94Å; H420-Y425 AromaticContact CG-CE2 3.85Å; L423-Y425 VanDerWaalsContact C-N 3.31Å; L423-Y425 PolarHBondContact O-N 3.41Å; Y425-F429 WeakPolarHBondContact O-CD2 3.37Å; Y425-F429 WeakPolarHBondContact O-CE2 3.33Å; Y425-V444 HydrophobicContact CE1-CG2 3.88Å; Y425-H447 AromaticContact CE2-CE1 3.97Å; Y425-H447 AromaticContact CE2-ND1 3.78Å; Y425-H447 AromaticContact CZ-ND1 3.81Å; Y425-H447 PolarHBondContact OH-ND1 2.95Å
426	L	89.6	Confident	86.2	Confident	1 Å²	1	68 Å²	68	1%	0.005	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-93	-11.6	174	-59.7	-175.6	0	0	0	113.5	I408 L423 D424 E428 F429 F431 L440 I443 V444	I408-L426 HydrophobicContact CD1-CD2 3.56Å; I408-L426 HydrophobicContact CG1-CD2 3.67Å; L423-L426 VanDerWaalsContact O-CB 3.27Å; L423-L426 WeakPolarHBondContact O-CB 3.27Å; L423-L426 PolarHBondContact O-N 2.97Å; D424-L426 PolarHBondContact O-N 2.89Å; D424-L426 VanDerWaalsContact O-N 3.11Å; L426-E428 PolarHBondContact O-N 2.96Å; L426-F429 PolarHBondContact O-N 2.62Å; L426-F429 VanDerWaalsContact O-N 3.16Å; L426-F431 HydrophobicContact CB-CE2 4.21Å; L426-F431 HydrophobicContact CD2-CE2 4.45Å; L426-F431 HydrophobicContact CD2-CZ 4.18Å; L426-L440 HydrophobicContact CB-CD2 4.06Å; L426-L440 HydrophobicContact CD1-CB 4.04Å; L426-L440 HydrophobicContact CD1-CD2 4.11Å; L426-L440 WeakPolarHBondContact CD1-O 3.37Å; L426-I443 HydrophobicContact CD1-CB 4.18Å; L426-I443 HydrophobicContact CD1-CG2 3.95Å; L426-I443 HydrophobicContact CD2-CG2 4.17Å; L426-V444 HydrophobicContact CD1-CG2 3.56Å; L426-V444 HydrophobicContact CG-CG2 4.37Å
427	N	82.6	Confident	86.1	Confident	105 Å²	105	69.6 Å²	69.6	56%	0.561	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.7	-174.7	-68.2	-24.1	0	0	0	113	D424 F429	D424-N427 WeakPolarHBondContact CA-ND2 3.16Å; D424-N427 WeakPolarHBondContact O-CB 3.37Å; D424-N427 PolarHBondContact O-N 3.42Å; D424-N427 PolarHBondContact OD1-ND2 3.05Å; D424-N427 VanDerWaalsContact OD1-ND2 3.08Å; N427-F429 VanDerWaalsContact C-N 3.28Å; N427-F429 PolarHBondContact O-N 3.43Å
428	E	79.9	Confident	86.3	Confident	136 Å²	136	71.5 Å²	71.5	64%	0.636	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-8.6	177	-59.7	-172.4	169.3	0	0	113.3	L426	L426-E428 PolarHBondContact O-N 2.96Å
429	F	84.6	Confident	86.4	Confident	9 Å²	9	65 Å²	65	4%	0.039	36%	0.359	C	S	.	.			trans	-105.6	114	-171.2	-67.1	-88.9	0	0	0	113.1	M407 I408 E411 L412 Y425 L426 N427 F431 L612	M407-F429 HydrophobicContact CE-CB 4.39Å; M407-F429 HydrophobicContact CE-CD1 3.9Å; I408-F429 HydrophobicContact CD1-CB 4.32Å; I408-F429 HydrophobicContact CD1-CD1 3.73Å; I408-F429 HydrophobicContact CD1-CD2 3.44Å; I408-F429 VanDerWaalsContact CD1-CD2 3.44Å; I408-F429 HydrophobicContact CD1-CE1 3.74Å; I408-F429 HydrophobicContact CD1-CE2 3.45Å; I408-F429 VanDerWaalsContact CD1-CE2 3.45Å; I408-F429 HydrophobicContact CD1-CG 3.56Å; I408-F429 HydrophobicContact CD1-CZ 3.58Å; E411-F429 HydrophobicContact CB-CE1 3.91Å; E411-F429 HydrophobicContact CB-CZ 4.29Å; E411-F429 HydrophobicContact CG-CE1 4.06Å; L412-F429 HydrophobicContact CD1-CE2 4.04Å; L412-F429 HydrophobicContact CD1-CZ 4.06Å; L412-F429 HydrophobicContact CD2-CE2 4.48Å; L412-F429 HydrophobicContact CD2-CZ 3.95Å; L412-F429 HydrophobicContact CG-CE2 4.37Å; L412-F429 HydrophobicContact CG-CZ 3.89Å; Y425-F429 WeakPolarHBondContact O-CD2 3.37Å; Y425-F429 WeakPolarHBondContact O-CE2 3.33Å; L426-F429 PolarHBondContact O-N 2.62Å; L426-F429 VanDerWaalsContact O-N 3.16Å; N427-F429 VanDerWaalsContact C-N 3.28Å; N427-F429 PolarHBondContact O-N 3.43Å; F429-F431 VanDerWaalsContact C-N 3.29Å; F429-F431 HydrophobicContact CB-CD2 4.17Å; F429-F431 HydrophobicContact CB-CE1 4.23Å; F429-F431 HydrophobicContact CB-CE2 3.59Å; F429-F431 HydrophobicContact CB-CZ 3.64Å; F429-F431 HydrophobicContact CG-CZ 4.33Å; F429-F431 VanDerWaalsContact O-CD2 3.23Å; F429-F431 WeakPolarHBondContact O-CD2 3.43Å; F429-F431 PolarHBondContact O-N 3.35Å; F429-L612 HydrophobicContact CE1-CD2 4.03Å; F429-L612 HydrophobicContact CE2-CD2 3.78Å; F429-L612 HydrophobicContact CZ-CD2 3.39Å; F429-L612 HydrophobicContact CZ-CG 4.38Å
430	E	83.3	Confident	86.7	Confident	44 Å²	44	58.2 Å²	58.2	21%	0.206	33%	0.33	C	S	.	.			trans	-74.8	68.9	179.2	-71.3	-178.2	162	0	0	112.3	Y389 R615 T616	Y389-E430 HydrophobicContact CD2-CB 4.02Å; Y389-E430 WeakPolarHBondContact CD2-O 3.42Å; Y389-E430 HydrophobicContact CE2-CB 3.68Å; Y389-E430 HydrophobicContact CE2-CG 4.27Å; E430-R615 IonicContact OE1-CZ 2.66Å; E430-R615 IonicContact OE1-NE 3.65Å; E430-R615 PolarHBondContact OE1-NE 2.87Å; E430-R615 IonicContact OE1-NH2 3.92Å; E430-T616 HydrophobicContact CB-CG2 4.07Å; E430-T616 VanDerWaalsContact OE2-CB 3.32Å; E430-T616 WeakPolarHBondContact OE2-CB 3.37Å; E430-T616 WeakPolarHBondContact OE2-CG2 3.41Å; E430-T616 PolarHBondContact OE2-N 2.98Å; E430-T616 PolarHBondContact OE2-OG1 3.46Å
431	F	84.9	Confident	87	Confident	14 Å²	14	63.9 Å²	63.9	6%	0.061	36%	0.355	C	S	.	.	S	Bend	trans	-68.7	-37.8	175.2	-56.3	-74.1	0	0	0	113.5	M407 I408 L426 F429 L440 I443	M407-F431 HydrophobicContact CG-CE1 4.48Å; M407-F431 HydrophobicContact SD-CD1 4.28Å; M407-F431 HydrophobicContact SD-CE1 4.35Å; I408-F431 HydrophobicContact CD1-CE1 4.37Å; I408-F431 HydrophobicContact CD1-CZ 3.79Å; I408-F431 HydrophobicContact CG1-CE1 3.99Å; I408-F431 HydrophobicContact CG1-CZ 3.65Å; L426-F431 HydrophobicContact CB-CE2 4.21Å; L426-F431 HydrophobicContact CD2-CE2 4.45Å; L426-F431 HydrophobicContact CD2-CZ 4.18Å; F429-F431 VanDerWaalsContact C-N 3.29Å; F429-F431 HydrophobicContact CB-CD2 4.17Å; F429-F431 HydrophobicContact CB-CE1 4.23Å; F429-F431 HydrophobicContact CB-CE2 3.59Å; F429-F431 HydrophobicContact CB-CZ 3.64Å; F429-F431 HydrophobicContact CG-CZ 4.33Å; F429-F431 VanDerWaalsContact O-CD2 3.23Å; F429-F431 WeakPolarHBondContact O-CD2 3.43Å; F429-F431 PolarHBondContact O-N 3.35Å; F431-L440 HydrophobicContact CD2-CD2 3.99Å; F431-L440 HydrophobicContact CE2-CD2 3.95Å; F431-I443 HydrophobicContact CD1-CD1 4.01Å; F431-I443 HydrophobicContact CD2-CD1 4.01Å; F431-I443 HydrophobicContact CE1-CD1 4.01Å; F431-I443 HydrophobicContact CE1-CG2 4.49Å; F431-I443 HydrophobicContact CE2-CD1 4.01Å; F431-I443 HydrophobicContact CG-CD1 4Å; F431-I443 HydrophobicContact CZ-CD1 3.99Å; F431-I443 HydrophobicContact CZ-CG2 4.15Å
432	V	83.3	Confident	87.5	Confident	22 Å²	22	60.3 Å²	60.3	13%	0.133	34%	0.335	C	S	.	.	S	Bend	trans	-154.1	155.7	-178.9	-82.4	0	0	0	0	109.2	Y389 Q400 S434 P435 L439	Y389-V432 WeakPolarHBondContact CE2-O 3.3Å; Q400-V432 HydrophobicContact CG-CG1 4.33Å; V432-S434 PolarHBondContact O-N 2.75Å; V432-P435 VanDerWaalsContact CG2-CA 3.5Å; V432-P435 HydrophobicContact CG2-CB 3.88Å; V432-L439 HydrophobicContact CG2-CD2 3.83Å
433	P	79.4	Confident	87.9	Confident	81 Å²	81	58 Å²	58	53%	0.526	31%	0.311	S	S	.	.	S	Bend	trans	-61.8	-11.6	177.8	-26.1	35.8	0	0	0	115.4	Y389	Y389-P433 HydrophobicContact CD2-CG 4.32Å; Y389-P433 HydrophobicContact CE1-CG 4.28Å; Y389-P433 HydrophobicContact CE2-CB 4.44Å; Y389-P433 HydrophobicContact CE2-CG 4.04Å; Y389-P433 VanDerWaalsContact O-CD 3.32Å; Y389-P433 WeakPolarHBondContact O-CD 3.49Å; Y389-P433 VanDerWaalsContact O-CG 3.3Å; Y389-P433 WeakPolarHBondContact O-CG 3.47Å
434	S	82.3	Confident	88.2	Confident	100 Å²	100	56.8 Å²	56.8	70%	0.699	31%	0.305	S	S	*	.	S	Bend	trans	-155.4	88.3	175.9	-60	0	0	0	0	109.7	V432	V432-S434 PolarHBondContact O-N 2.75Å
435	P	81.6	Confident	88.7	Confident	63 Å²	63	55.3 Å²	55.3	41%	0.409	30%	0.295	S	S	.	.			trans	-72	133.4	-178.9	28.2	-33	0	0	0	111.2	V432 L440	V432-P435 VanDerWaalsContact CG2-CA 3.5Å; V432-P435 HydrophobicContact CG2-CB 3.88Å; P435-L440 HydrophobicContact CB-CD1 4.38Å; P435-L440 HydrophobicContact CB-CD2 3.99Å; P435-L440 HydrophobicContact CB-CG 4.18Å
436	T	89.5	Confident	89.1	Confident	63 Å²	63	55.4 Å²	55.4	39%	0.387	30%	0.297	S	S	.	.			trans	-85.7	145.2	172.4	65.2	0	0	0	0	110.4	Q438 L439 L440	T436-Q438 PolarHBondContact O-N 3.44Å; T436-Q438 VanDerWaalsContact O-N 3.09Å; T436-L439 WeakPolarHBondContact O-CB 3.39Å; T436-L439 PolarHBondContact O-N 3.27Å; T436-L439 WeakPolarHBondContact OG1-CB 3.42Å; T436-L439 PolarHBondContact OG1-N 2.86Å; T436-L440 PolarHBondContact O-N 2.9Å; T436-L440 VanDerWaalsContact O-N 3.09Å
437	P	90.9	Very high	89.4	Confident	75 Å²	75	55.3 Å²	55.3	49%	0.487	30%	0.297	S	S	.	.	H	α-helix	trans	-56.6	-27.5	175.8	-27.3	35.7	0	0	0	113.5	L423 K441	L423-P437 HydrophobicContact CD1-CB 4.48Å; P437-K441 WeakPolarHBondContact O-CB 3.35Å; P437-K441 VanDerWaalsContact O-CG 3.23Å; P437-K441 WeakPolarHBondContact O-CG 3.5Å; P437-K441 PolarHBondContact O-N 3.26Å
438	Q	93.7	Very high	90.1	Very high	126 Å²	126	55.7 Å²	55.7	59%	0.589	29%	0.293	S	S	*	.	H	α-helix	trans	-67.2	-43.8	173.6	-63.2	80.5	-3.1	0	0	111.9	W397 T436 K441 K442	W397-Q438 HydrophobicContact CZ2-CB 4.47Å; T436-Q438 PolarHBondContact O-N 3.44Å; T436-Q438 VanDerWaalsContact O-N 3.09Å; Q438-K441 PolarHBondContact O-N 3.07Å; Q438-K442 PolarHBondContact O-N 3.42Å; Q438-K442 VanDerWaalsContact O-N 3.11Å
439	L	93.6	Very high	90.8	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.016	29%	0.291	C	S	.	.	H	α-helix	trans	-61.9	-48.1	175.1	176.4	60.6	0	0	0	110.6	Q400 A401 V432 T436 K441 K442 I443	Q400-L439 HydrophobicContact CB-CD1 4.5Å; Q400-L439 HydrophobicContact CG-CD1 4.33Å; Q400-L439 HydrophobicContact CG-CD2 4.31Å; A401-L439 HydrophobicContact CB-CD1 3.84Å; V432-L439 HydrophobicContact CG2-CD2 3.83Å; T436-L439 WeakPolarHBondContact O-CB 3.39Å; T436-L439 PolarHBondContact O-N 3.27Å; T436-L439 WeakPolarHBondContact OG1-CB 3.42Å; T436-L439 PolarHBondContact OG1-N 2.86Å; L439-K441 PolarHBondContact O-N 2.65Å; L439-K442 PolarHBondContact O-N 2.67Å; L439-K442 VanDerWaalsContact O-N 3.16Å; L439-I443 HydrophobicContact CD1-CD1 4.14Å; L439-I443 HydrophobicContact CD1-CG1 4.43Å; L439-I443 HydrophobicContact CG-CD1 3.98Å; L439-I443 WeakPolarHBondContact O-CG1 3.17Å; L439-I443 PolarHBondContact O-N 2.86Å
440	L	94.5	Very high	91.4	Very high	11 Å²	11	54.2 Å²	54.2	6%	0.058	29%	0.293	C	S	.	.	H	α-helix	trans	-60.1	-45.8	178.6	-62.2	-177.7	0	0	0	111.5	L423 L426 F431 P435 T436 K442 I443 V444	L423-L440 HydrophobicContact CD1-CB 4.17Å; L423-L440 HydrophobicContact CD2-CB 4.1Å; L426-L440 HydrophobicContact CB-CD2 4.06Å; L426-L440 HydrophobicContact CD1-CB 4.04Å; L426-L440 HydrophobicContact CD1-CD2 4.11Å; L426-L440 WeakPolarHBondContact CD1-O 3.37Å; F431-L440 HydrophobicContact CD2-CD2 3.99Å; F431-L440 HydrophobicContact CE2-CD2 3.95Å; P435-L440 HydrophobicContact CB-CD1 4.38Å; P435-L440 HydrophobicContact CB-CD2 3.99Å; P435-L440 HydrophobicContact CB-CG 4.18Å; T436-L440 PolarHBondContact O-N 2.9Å; T436-L440 VanDerWaalsContact O-N 3.09Å; L440-K442 VanDerWaalsContact C-N 3.31Å; L440-K442 PolarHBondContact O-N 2.89Å; L440-I443 WeakPolarHBondContact O-CB 3.28Å; L440-I443 PolarHBondContact O-N 3.05Å; L440-I443 VanDerWaalsContact O-N 3.11Å; L440-V444 WeakPolarHBondContact O-CG2 3.1Å; L440-V444 PolarHBondContact O-N 2.94Å
441	K	95.4	Very high	92	Very high	136 Å²	136	56.4 Å²	56.4	59%	0.591	31%	0.31	S	S	*	.	H	α-helix	trans	-55.9	-42	174.1	-77.6	174.5	-178.6	-173.8	0	112.8	L423 P437 Q438 L439 V444 E445	L423-K441 HydrophobicContact CD1-CG 4.16Å; L423-K441 HydrophobicContact CD2-CG 3.88Å; P437-K441 WeakPolarHBondContact O-CB 3.35Å; P437-K441 VanDerWaalsContact O-CG 3.23Å; P437-K441 WeakPolarHBondContact O-CG 3.5Å; P437-K441 PolarHBondContact O-N 3.26Å; Q438-K441 PolarHBondContact O-N 3.07Å; L439-K441 PolarHBondContact O-N 2.65Å; K441-V444 PolarHBondContact O-N 3.28Å; K441-E445 PolarHBondContact O-N 3.1Å
442	K	96.4	Very high	92.5	Very high	46 Å²	46	58.3 Å²	58.3	20%	0.2	33%	0.333	C	S	.	.	H	α-helix	trans	-71.2	-31.6	177.8	-166.5	54.6	162.2	-178.7	0	112.8	W397 A401 Q438 L439 L440 E445 L446	W397-K442 HydrophobicContact CH2-CB 3.68Å; W397-K442 HydrophobicContact CH2-CG 3.75Å; W397-K442 HydrophobicContact CZ2-CB 4.03Å; W397-K442 HydrophobicContact CZ3-CG 4.18Å; A401-K442 HydrophobicContact CB-CB 4.04Å; A401-K442 HydrophobicContact CB-CG 3.75Å; Q438-K442 PolarHBondContact O-N 3.42Å; Q438-K442 VanDerWaalsContact O-N 3.11Å; L439-K442 PolarHBondContact O-N 2.67Å; L439-K442 VanDerWaalsContact O-N 3.16Å; L440-K442 VanDerWaalsContact C-N 3.31Å; L440-K442 PolarHBondContact O-N 2.89Å; K442-E445 HydrophobicContact CD-CB 4.32Å; K442-E445 WeakPolarHBondContact CD-OE2 3.25Å; K442-E445 IonicContact NZ-OE1 3.18Å; K442-E445 PolarHBondContact NZ-OE1 2.87Å; K442-E445 IonicContact NZ-OE2 2.75Å; K442-E445 PolarHBondContact NZ-OE2 3.38Å; K442-E445 PolarHBondContact O-N 2.73Å; K442-L446 HydrophobicContact CD-CG 4.48Å; K442-L446 HydrophobicContact CG-CD1 4.21Å; K442-L446 WeakPolarHBondContact O-CB 3.22Å; K442-L446 VanDerWaalsContact O-CG 3.31Å; K442-L446 WeakPolarHBondContact O-CG 3.39Å; K442-L446 PolarHBondContact O-N 2.76Å
443	I	96.4	Very high	93.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64.1	-45.5	170.8	-69.2	166.3	0	0	0	110.4	A401 I408 L426 F431 L439 L440 E445 L446 H447	A401-I443 HydrophobicContact CB-CG1 4.39Å; I408-I443 HydrophobicContact CG1-CG2 4.19Å; L426-I443 HydrophobicContact CD1-CB 4.18Å; L426-I443 HydrophobicContact CD1-CG2 3.95Å; L426-I443 HydrophobicContact CD2-CG2 4.17Å; F431-I443 HydrophobicContact CD1-CD1 4.01Å; F431-I443 HydrophobicContact CD2-CD1 4.01Å; F431-I443 HydrophobicContact CE1-CD1 4.01Å; F431-I443 HydrophobicContact CE1-CG2 4.49Å; F431-I443 HydrophobicContact CE2-CD1 4.01Å; F431-I443 HydrophobicContact CG-CD1 4Å; F431-I443 HydrophobicContact CZ-CD1 3.99Å; F431-I443 HydrophobicContact CZ-CG2 4.15Å; L439-I443 HydrophobicContact CD1-CD1 4.14Å; L439-I443 HydrophobicContact CD1-CG1 4.43Å; L439-I443 HydrophobicContact CG-CD1 3.98Å; L439-I443 WeakPolarHBondContact O-CG1 3.17Å; L439-I443 PolarHBondContact O-N 2.86Å; L440-I443 WeakPolarHBondContact O-CB 3.28Å; L440-I443 PolarHBondContact O-N 3.05Å; L440-I443 VanDerWaalsContact O-N 3.11Å; I443-E445 PolarHBondContact O-N 3.02Å; I443-L446 PolarHBondContact O-N 2.86Å; I443-H447 VanDerWaalsContact O-CB 3.24Å; I443-H447 WeakPolarHBondContact O-CB 3.44Å; I443-H447 PolarHBondContact O-N 2.86Å
444	V	95.7	Very high	93.8	Very high	13 Å²	13	59.9 Å²	59.9	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-61.1	-43.1	174.7	-179.2	0	0	0	0	111.9	F415 L423 Y425 L426 L440 K441 L446 H447 K448	F415-V444 HydrophobicContact CE2-CG1 3.87Å; L423-V444 HydrophobicContact CD2-CG2 3.77Å; Y425-V444 HydrophobicContact CE1-CG2 3.88Å; L426-V444 HydrophobicContact CD1-CG2 3.56Å; L426-V444 HydrophobicContact CG-CG2 4.37Å; L440-V444 WeakPolarHBondContact O-CG2 3.1Å; L440-V444 PolarHBondContact O-N 2.94Å; K441-V444 PolarHBondContact O-N 3.28Å; V444-L446 PolarHBondContact O-N 3.34Å; V444-H447 PolarHBondContact O-N 3.29Å; V444-K448 WeakPolarHBondContact O-CG 3.42Å; V444-K448 PolarHBondContact O-N 3.22Å
445	E	96.2	Very high	94.3	Very high	82 Å²	82	57.3 Å²	57.3	38%	0.383	31%	0.311	S	S	.	.	H	α-helix	trans	-59.6	-45.8	178.1	-166.9	-150.4	114.8	0	0	111.7	K441 K442 I443	K441-E445 PolarHBondContact O-N 3.1Å; K442-E445 HydrophobicContact CD-CB 4.32Å; K442-E445 WeakPolarHBondContact CD-OE2 3.25Å; K442-E445 IonicContact NZ-OE1 3.18Å; K442-E445 PolarHBondContact NZ-OE1 2.87Å; K442-E445 IonicContact NZ-OE2 2.75Å; K442-E445 PolarHBondContact NZ-OE2 3.38Å; K442-E445 PolarHBondContact O-N 2.73Å; I443-E445 PolarHBondContact O-N 3.02Å
446	L	96.9	Very high	94.8	Very high	33 Å²	33	56.6 Å²	56.6	17%	0.173	30%	0.304	C	S	.	.	H	α-helix	trans	-74.3	-35.8	179.7	-68.3	171.1	0	0	0	112.7	A401 L402 S405 K442 I443 V444 K448 T449 H450	A401-L446 HydrophobicContact CB-CD1 4.12Å; L402-L446 HydrophobicContact CB-CD1 4.47Å; S405-L446 VanDerWaalsContact CB-CB 3.47Å; K442-L446 HydrophobicContact CD-CG 4.48Å; K442-L446 HydrophobicContact CG-CD1 4.21Å; K442-L446 WeakPolarHBondContact O-CB 3.22Å; K442-L446 VanDerWaalsContact O-CG 3.31Å; K442-L446 WeakPolarHBondContact O-CG 3.39Å; K442-L446 PolarHBondContact O-N 2.76Å; I443-L446 PolarHBondContact O-N 2.86Å; V444-L446 PolarHBondContact O-N 3.34Å; L446-K448 PolarHBondContact O-N 3.39Å; L446-T449 WeakPolarHBondContact O-CB 3.5Å; L446-T449 PolarHBondContact O-N 2.94Å; L446-T449 PolarHBondContact O-OG1 2.62Å; L446-H450 PolarHBondContact O-CD2 3.17Å; L446-H450 VanDerWaalsContact O-CD2 3.3Å; L446-H450 PolarHBondContact O-NE2 3.26Å
447	H	96.4	Very high	95.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-55.7	-39.7	174.3	178.5	-161.9	0	0	0	111.5	I408 G413 F415 H420 Y425 I443 V444 T449 H450	I408-H447 WeakPolarHBondContact CG2-CE1 3.47Å; I408-H447 WeakPolarHBondContact CG2-ND1 3.31Å; G413-H447 PolarHBondContact O-NE2 3.26Å; F415-H447 AromaticContact CD2-CE1 3.92Å; F415-H447 AromaticContact CD2-ND1 3.63Å; F415-H447 PolarHBondContact N-NE2 3.46Å; H420-H447 AromaticContact CE1-CE1 3.82Å; H420-H447 AromaticContact ND1-CE1 3.83Å; Y425-H447 AromaticContact CE2-CE1 3.97Å; Y425-H447 AromaticContact CE2-ND1 3.78Å; Y425-H447 AromaticContact CZ-ND1 3.81Å; Y425-H447 PolarHBondContact OH-ND1 2.95Å; I443-H447 VanDerWaalsContact O-CB 3.24Å; I443-H447 WeakPolarHBondContact O-CB 3.44Å; I443-H447 PolarHBondContact O-N 2.86Å; V444-H447 PolarHBondContact O-N 3.29Å; H447-T449 PolarHBondContact O-N 2.89Å; H447-T449 VanDerWaalsContact O-N 3.13Å; H447-H450 PolarHBondContact O-N 2.68Å; H447-H450 VanDerWaalsContact O-N 3.11Å
448	K	96.5	Very high	95.4	Very high	113 Å²	113	53.8 Å²	53.8	49%	0.491	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-16.8	173.7	-70.8	170	176.8	-176.2	0	115.1	F415 V444 L446	F415-K448 HydrophobicContact CB-CG 4.08Å; F415-K448 HydrophobicContact CD1-CD 4.31Å; F415-K448 HydrophobicContact CD1-CG 3.58Å; F415-K448 HydrophobicContact CD2-CG 3.89Å; F415-K448 HydrophobicContact CE1-CD 4.29Å; F415-K448 HydrophobicContact CE1-CG 4.04Å; F415-K448 HydrophobicContact CE2-CG 4.29Å; F415-K448 HydrophobicContact CG-CG 3.53Å; F415-K448 HydrophobicContact CZ-CD 4.48Å; F415-K448 HydrophobicContact CZ-CG 4.38Å; V444-K448 WeakPolarHBondContact O-CG 3.42Å; V444-K448 PolarHBondContact O-N 3.22Å; L446-K448 PolarHBondContact O-N 3.39Å
449	T	96.6	Very high	95.5	Very high	96 Å²	96	47.8 Å²	47.8	59%	0.589	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-5.6	177.9	71	0	0	0	0	113.5	L446 H447	L446-T449 WeakPolarHBondContact O-CB 3.5Å; L446-T449 PolarHBondContact O-N 2.94Å; L446-T449 PolarHBondContact O-OG1 2.62Å; H447-T449 PolarHBondContact O-N 2.89Å; H447-T449 VanDerWaalsContact O-N 3.13Å
450	H	95.9	Very high	95.6	Very high	17 Å²	17	50.3 Å²	50.3	8%	0.079	27%	0.265	C	S	.	.			trans	-100.5	-1.9	-170.6	-70.8	-24.1	0	0	0	114.6	S405 F406 Q409 L446 H447 G452 M453	S405-H450 PolarHBondContact OG-NE2 3.26Å; F406-H450 AromaticContact CD1-CE1 3.86Å; F406-H450 AromaticContact CD1-NE2 3.63Å; F406-H450 AromaticContact CE1-CE1 3.37Å; F406-H450 WeakPolarHBondContact CE1-CE1 3.44Å; F406-H450 AromaticContact CE1-ND1 3.91Å; F406-H450 AromaticContact CE1-NE2 3.59Å; Q409-H450 HydrophobicContact CB-CB 4.3Å; Q409-H450 HydrophobicContact CG-CB 3.95Å; Q409-H450 PolarHBondContact NE2-O 2.78Å; L446-H450 PolarHBondContact O-CD2 3.17Å; L446-H450 VanDerWaalsContact O-CD2 3.3Å; L446-H450 PolarHBondContact O-NE2 3.26Å; H447-H450 PolarHBondContact O-N 2.68Å; H447-H450 VanDerWaalsContact O-N 3.11Å; H450-G452 PolarHBondContact O-N 2.63Å; H450-M453 HydrophobicContact CB-CE 3.57Å; H450-M453 WeakPolarHBondContact ND1-CE 3.46Å; H450-M453 WeakPolarHBondContact O-CB 3.48Å; H450-M453 PolarHBondContact O-N 3.18Å
451	T	95.7	Very high	95.7	Very high	90 Å²	90	54.3 Å²	54.3	55%	0.552	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	131.8	-177.7	-49.2	0	0	0	0	113.6	D414 M453	D414-T451 HydrophobicContact CB-CG2 4.19Å; D414-T451 WeakPolarHBondContact OD1-CA 3.06Å; T451-M453 VanDerWaalsContact C-N 3.34Å
452	G	95.5	Very high	95.8	Very high	54 Å²	54	48.1 Å²	48.1	56%	0.557	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-5.7	-176	0	0	0	0	0	114.6	D414 H450	D414-G452 PolarHBondContact OD1-N 3.44Å; D414-G452 PolarHBondContact OD2-N 3.19Å; H450-G452 PolarHBondContact O-N 2.63Å
453	M	96.5	Very high	95.9	Very high	14 Å²	14	46 Å²	46	7%	0.069	25%	0.245	C	C	.	.			trans	-81.6	127.3	179.7	-171.2	-178.2	-17.8	0	0	111.7	F406 Q409 H450 T451 E457 A458 K461	F406-M453 HydrophobicContact CD1-CE 4.3Å; F406-M453 HydrophobicContact CD1-SD 4.4Å; F406-M453 HydrophobicContact CE1-CE 4.17Å; Q409-M453 HydrophobicContact CG-CB 4.12Å; Q409-M453 PolarHBondContact NE2-O 3.21Å; H450-M453 HydrophobicContact CB-CE 3.57Å; H450-M453 WeakPolarHBondContact ND1-CE 3.46Å; H450-M453 WeakPolarHBondContact O-CB 3.48Å; H450-M453 PolarHBondContact O-N 3.18Å; T451-M453 VanDerWaalsContact C-N 3.34Å; M453-E457 HydrophobicContact CG-CB 3.71Å; M453-E457 HydrophobicContact SD-CB 4.49Å; M453-A458 HydrophobicContact CG-CB 4.38Å; M453-A458 HydrophobicContact SD-CB 3.97Å; M453-K461 HydrophobicContact CE-CD 4.1Å; M453-K461 HydrophobicContact SD-CD 3.57Å; M453-K461 VanDerWaalsContact SD-CD 3.57Å; M453-K461 HydrophobicContact SD-CG 4.47Å; M453-K461 PolarHBondContact SD-NZ 3.39Å
454	K	94.3	Very high	95.9	Very high	123 Å²	123	48 Å²	48	54%	0.535	26%	0.255	S	S	.	.			trans	-76.2	154	-178.7	-66.7	166.7	-172.1	158.2	0	111.6	N456 E457 A458	K454-N456 VanDerWaalsContact CB-OD1 3.3Å; K454-N456 WeakPolarHBondContact CB-OD1 3.29Å; K454-N456 PolarHBondContact O-N 3.21Å; K454-E457 HydrophobicContact CB-CG 4.27Å; K454-E457 PolarHBondContact N-OE2 3.15Å; K454-E457 WeakPolarHBondContact O-CB 3.28Å; K454-E457 PolarHBondContact O-N 2.79Å; K454-A458 PolarHBondContact O-N 2.94Å
455	P	93	Very high	96	Very high	46 Å²	46	48.7 Å²	48.7	30%	0.299	26%	0.259	S	S	.	.	H	α-helix	trans	-53.3	-32.5	178.8	-31.5	37.7	0	0	0	115.1	A410 D459	A410-P455 HydrophobicContact CB-CB 4.41Å; P455-D459 PolarHBondContact O-N 3.36Å
456	N	92.3	Very high	96	Very high	48 Å²	48	44.8 Å²	44.8	26%	0.257	24%	0.241	S	C	.	.	H	α-helix	trans	-79.1	-30.8	178.2	61.5	0.7	0	0	0	114.1	E374 K454 I460	E374-N456 HydrophobicContact CG-CB 3.88Å; E374-N456 WeakPolarHBondContact OE2-CB 3.49Å; E374-N456 PolarHBondContact OE2-ND2 3.13Å; K454-N456 VanDerWaalsContact CB-OD1 3.3Å; K454-N456 WeakPolarHBondContact CB-OD1 3.29Å; K454-N456 PolarHBondContact O-N 3.21Å; N456-I460 WeakPolarHBondContact O-CD1 3.41Å; N456-I460 VanDerWaalsContact O-CG1 3.23Å; N456-I460 WeakPolarHBondContact O-CG1 3.46Å; N456-I460 PolarHBondContact O-N 3.07Å
457	E	95.7	Very high	96	Very high	78 Å²	78	45.7 Å²	45.7	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-69.9	-38.3	168.7	-65.2	163.9	175.6	0	0	110.6	M453 K454 I460 K461	M453-E457 HydrophobicContact CG-CB 3.71Å; M453-E457 HydrophobicContact SD-CB 4.49Å; K454-E457 HydrophobicContact CB-CG 4.27Å; K454-E457 PolarHBondContact N-OE2 3.15Å; K454-E457 WeakPolarHBondContact O-CB 3.28Å; K454-E457 PolarHBondContact O-N 2.79Å; E457-I460 PolarHBondContact O-N 3.09Å; E457-K461 WeakPolarHBondContact O-CG 3.42Å; E457-K461 PolarHBondContact O-N 2.96Å
458	A	96.2	Very high	96	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-44.9	174.7	0	0	0	0	0	111.9	Q409 A410 M453 K454 I460 K461 Y462	Q409-A458 HydrophobicContact CB-CB 4.29Å; Q409-A458 HydrophobicContact CG-CB 4.14Å; A410-A458 HydrophobicContact CB-CB 3.97Å; M453-A458 HydrophobicContact CG-CB 4.38Å; M453-A458 HydrophobicContact SD-CB 3.97Å; K454-A458 PolarHBondContact O-N 2.94Å; A458-I460 PolarHBondContact O-N 3.47Å; A458-K461 PolarHBondContact O-N 3.4Å; A458-Y462 WeakPolarHBondContact O-CB 3.44Å; A458-Y462 PolarHBondContact O-N 3.2Å
459	D	95.3	Very high	95.8	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-57.3	-47	170.2	-76.2	-33.7	0	0	0	111.6	T381 R385 P455 K461 Y462 L463 R609	T381-D459 WeakPolarHBondContact CG2-OD1 3.33Å; T381-D459 PolarHBondContact OG1-OD1 2.9Å; R385-D459 IonicContact NH2-OD1 3.6Å; P455-D459 PolarHBondContact O-N 3.36Å; D459-K461 VanDerWaalsContact C-N 3.34Å; D459-K461 PolarHBondContact O-N 3.39Å; D459-Y462 WeakPolarHBondContact O-CB 3.47Å; D459-Y462 PolarHBondContact O-N 2.95Å; D459-L463 WeakPolarHBondContact O-CB 3.49Å; D459-L463 WeakPolarHBondContact O-CD1 3.4Å; D459-L463 WeakPolarHBondContact O-CG 3.44Å; D459-L463 PolarHBondContact O-N 3.42Å; D459-R609 IonicContact OD1-NH1 2.75Å; D459-R609 IonicContact OD2-CZ 3.82Å; D459-R609 IonicContact OD2-NH1 3.38Å; D459-R609 PolarHBondContact OD2-NH1 2.71Å; D459-R609 IonicContact OD2-NH2 3.83Å; D459-R609 PolarHBondContact OD2-NH2 2.82Å
460	I	96.3	Very high	95.6	Very high	55 Å²	55	50.7 Å²	50.7	28%	0.282	26%	0.255	S	S	.	.	H	α-helix	trans	-60.3	-43.1	179	-72.8	165.3	0	0	0	110.9	N456 E457 A458 L463 E464	N456-I460 WeakPolarHBondContact O-CD1 3.41Å; N456-I460 VanDerWaalsContact O-CG1 3.23Å; N456-I460 WeakPolarHBondContact O-CG1 3.46Å; N456-I460 PolarHBondContact O-N 3.07Å; E457-I460 PolarHBondContact O-N 3.09Å; A458-I460 PolarHBondContact O-N 3.47Å; I460-L463 PolarHBondContact O-N 3.31Å; I460-E464 HydrophobicContact CG2-CG 4.27Å; I460-E464 VanDerWaalsContact O-CB 3.25Å; I460-E464 WeakPolarHBondContact O-CB 3.26Å; I460-E464 VanDerWaalsContact O-CG 3.28Å; I460-E464 WeakPolarHBondContact O-CG 3.28Å; I460-E464 PolarHBondContact O-N 3.36Å
461	K	97.2	Very high	95.5	Very high	95 Å²	95	50.7 Å²	50.7	41%	0.413	26%	0.255	S	S	.	.	H	α-helix	trans	-68.2	-36.8	176	-70	-176.1	-164.1	166.1	0	112.9	F406 M453 E457 A458 D459 T465	F406-K461 HydrophobicContact CD1-CB 4.12Å; F406-K461 HydrophobicContact CD1-CD 4.47Å; F406-K461 HydrophobicContact CD2-CB 4.14Å; F406-K461 HydrophobicContact CE1-CB 3.84Å; F406-K461 HydrophobicContact CE1-CD 3.75Å; F406-K461 HydrophobicContact CE1-CG 4.46Å; F406-K461 HydrophobicContact CE2-CB 3.85Å; F406-K461 HydrophobicContact CG-CB 4.27Å; F406-K461 HydrophobicContact CZ-CB 3.7Å; F406-K461 HydrophobicContact CZ-CD 4.04Å; F406-K461 HydrophobicContact CZ-CG 4.46Å; M453-K461 HydrophobicContact CE-CD 4.1Å; M453-K461 HydrophobicContact SD-CD 3.57Å; M453-K461 VanDerWaalsContact SD-CD 3.57Å; M453-K461 HydrophobicContact SD-CG 4.47Å; M453-K461 PolarHBondContact SD-NZ 3.39Å; E457-K461 WeakPolarHBondContact O-CG 3.42Å; E457-K461 PolarHBondContact O-N 2.96Å; A458-K461 PolarHBondContact O-N 3.4Å; D459-K461 VanDerWaalsContact C-N 3.34Å; D459-K461 PolarHBondContact O-N 3.39Å; K461-T465 VanDerWaalsContact O-CB 3.3Å; K461-T465 WeakPolarHBondContact O-CB 3.41Å; K461-T465 PolarHBondContact O-N 2.96Å; K461-T465 PolarHBondContact O-OG1 2.99Å
462	Y	97.5	Very high	95.5	Very high	7 Å²	7	46.6 Å²	46.6	3%	0.027	23%	0.229	C	C	.	.	H	α-helix	trans	-58.4	-50.6	172.6	-173.2	-78.7	0	0	0	110.4	T381 I384 R385 L403 F406 M407 A458 D459 T465 A466	T381-Y462 HydrophobicContact CG2-CD1 3.83Å; T381-Y462 HydrophobicContact CG2-CE1 4.05Å; T381-Y462 HydrophobicContact CG2-CG 4.22Å; I384-Y462 HydrophobicContact CB-CE1 4.08Å; I384-Y462 HydrophobicContact CG2-CE1 3.62Å; R385-Y462 WeakPolarHBondContact CA-OH 3.47Å; R385-Y462 HydrophobicContact CG-CE1 4.25Å; R385-Y462 HydrophobicContact CG-CE2 4.16Å; R385-Y462 WeakPolarHBondContact CG-OH 3.03Å; L403-Y462 HydrophobicContact CB-CD2 4.1Å; L403-Y462 HydrophobicContact CB-CE2 3.68Å; L403-Y462 HydrophobicContact CD2-CD1 4.15Å; L403-Y462 HydrophobicContact CD2-CD2 3.72Å; L403-Y462 HydrophobicContact CD2-CE1 4.3Å; L403-Y462 HydrophobicContact CD2-CE2 3.89Å; L403-Y462 HydrophobicContact CD2-CG 3.82Å; L403-Y462 WeakPolarHBondContact CD2-O 3.36Å; L403-Y462 HydrophobicContact CG-CE2 4.32Å; L403-Y462 VanDerWaalsContact O-CD2 3.29Å; L403-Y462 WeakPolarHBondContact O-CD2 3.48Å; L403-Y462 VanDerWaalsContact O-CE2 3.27Å; L403-Y462 WeakPolarHBondContact O-CE2 3.46Å; F406-Y462 HydrophobicContact CB-CD2 4.16Å; M407-Y462 HydrophobicContact CB-CD2 4.46Å; M407-Y462 HydrophobicContact CB-CE2 4.21Å; A458-Y462 WeakPolarHBondContact O-CB 3.44Å; A458-Y462 PolarHBondContact O-N 3.2Å; D459-Y462 WeakPolarHBondContact O-CB 3.47Å; D459-Y462 PolarHBondContact O-N 2.95Å; Y462-T465 PolarHBondContact O-N 3.38Å; Y462-A466 WeakPolarHBondContact O-CB 3.15Å; Y462-A466 PolarHBondContact O-N 2.82Å
463	L	97.4	Very high	95.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.1	-42.6	-179.9	-66.8	169	0	0	0	113	P368 R377 L380 T381 I384 D459 I460 T465 A466 K467	P368-L463 HydrophobicContact CB-CB 3.91Å; P368-L463 HydrophobicContact CB-CD1 4.21Å; P368-L463 HydrophobicContact CB-CD2 4.47Å; P368-L463 HydrophobicContact CB-CG 4.43Å; P368-L463 HydrophobicContact CG-CB 3.66Å; R377-L463 HydrophobicContact CB-CD1 3.95Å; R377-L463 HydrophobicContact CG-CD1 4.39Å; L380-L463 HydrophobicContact CB-CD2 4.29Å; L380-L463 HydrophobicContact CD2-CD2 3.89Å; L380-L463 HydrophobicContact CG-CD2 3.72Å; T381-L463 WeakPolarHBondContact OG1-CG 3.35Å; I384-L463 HydrophobicContact CD1-CD2 3.54Å; D459-L463 WeakPolarHBondContact O-CB 3.49Å; D459-L463 WeakPolarHBondContact O-CD1 3.4Å; D459-L463 WeakPolarHBondContact O-CG 3.44Å; D459-L463 PolarHBondContact O-N 3.42Å; I460-L463 PolarHBondContact O-N 3.31Å; L463-T465 PolarHBondContact O-N 3.47Å; L463-A466 PolarHBondContact O-N 2.96Å; L463-K467 WeakPolarHBondContact O-CB 3.46Å; L463-K467 PolarHBondContact O-N 3.11Å
464	E	97.4	Very high	95.3	Very high	42 Å²	42	43.8 Å²	43.8	20%	0.196	20%	0.203	C	C	.	.	H	α-helix	trans	-67.4	-20.3	175.4	-77.5	-65.6	131.2	0	0	113.8	S369 I460 K467 R468	S369-E464 WeakPolarHBondContact CB-OE1 3.5Å; S369-E464 PolarHBondContact OG-OE1 3.08Å; I460-E464 HydrophobicContact CG2-CG 4.27Å; I460-E464 VanDerWaalsContact O-CB 3.25Å; I460-E464 WeakPolarHBondContact O-CB 3.26Å; I460-E464 VanDerWaalsContact O-CG 3.28Å; I460-E464 WeakPolarHBondContact O-CG 3.28Å; I460-E464 PolarHBondContact O-N 3.36Å; E464-K467 WeakPolarHBondContact OE1-CE 3.48Å; E464-K467 IonicContact OE1-NZ 3.68Å; E464-K467 PolarHBondContact OE1-NZ 3.25Å; E464-K467 WeakPolarHBondContact OE2-CE 3.36Å; E464-K467 IonicContact OE2-NZ 3.94Å; E464-K467 PolarHBondContact OE2-NZ 3.06Å; E464-R468 PolarHBondContact O-NE 2.76Å
465	T	97.3	Very high	95.3	Very high	28 Å²	28	39 Å²	39	17%	0.172	18%	0.183	C	C	.	.	H	α-helix	trans	-84.3	-50.4	170.4	-58.1	0	0	0	0	110.4	T399 L402 L403 K461 Y462 L463 K467 R468	T399-T465 HydrophobicContact CG2-CG2 3.99Å; L402-T465 HydrophobicContact CD2-CG2 4.09Å; L403-T465 HydrophobicContact CD2-CG2 3.79Å; L403-T465 HydrophobicContact CG-CG2 4.12Å; K461-T465 VanDerWaalsContact O-CB 3.3Å; K461-T465 WeakPolarHBondContact O-CB 3.41Å; K461-T465 PolarHBondContact O-N 2.96Å; K461-T465 PolarHBondContact O-OG1 2.99Å; Y462-T465 PolarHBondContact O-N 3.38Å; L463-T465 PolarHBondContact O-N 3.47Å; T465-K467 VanDerWaalsContact C-N 3.34Å; T465-K467 PolarHBondContact O-N 3.04Å; T465-R468 WeakPolarHBondContact O-CB 3.45Å; T465-R468 PolarHBondContact O-N 3Å
466	A	96.7	Very high	95.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.5	-34.7	-176.4	0	0	0	0	0	113.6	I384 L403 Y462 L463 R468 L469	I384-A466 HydrophobicContact CD1-CB 4.45Å; I384-A466 HydrophobicContact CG2-CB 3.66Å; L403-A466 HydrophobicContact CD2-CB 4.45Å; Y462-A466 WeakPolarHBondContact O-CB 3.15Å; Y462-A466 PolarHBondContact O-N 2.82Å; L463-A466 PolarHBondContact O-N 2.96Å; A466-R468 PolarHBondContact O-N 2.93Å; A466-L469 WeakPolarHBondContact O-CB 3.4Å; A466-L469 PolarHBondContact O-N 2.91Å; A466-L469 VanDerWaalsContact O-N 3.08Å
467	K	96.3	Very high	95.3	Very high	53 Å²	53	34.9 Å²	34.9	23%	0.23	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-9.4	178.2	80.2	-178.5	-164.5	-179.9	0	115.1	P368 L463 E464 T465 Y472	P368-K467 HydrophobicContact CG-CD 4.11Å; L463-K467 WeakPolarHBondContact O-CB 3.46Å; L463-K467 PolarHBondContact O-N 3.11Å; E464-K467 WeakPolarHBondContact OE1-CE 3.48Å; E464-K467 IonicContact OE1-NZ 3.68Å; E464-K467 PolarHBondContact OE1-NZ 3.25Å; E464-K467 WeakPolarHBondContact OE2-CE 3.36Å; E464-K467 IonicContact OE2-NZ 3.94Å; E464-K467 PolarHBondContact OE2-NZ 3.06Å; T465-K467 VanDerWaalsContact C-N 3.34Å; T465-K467 PolarHBondContact O-N 3.04Å; K467-Y472 HydrophobicContact CB-CD1 4.19Å; K467-Y472 HydrophobicContact CB-CD2 4.31Å; K467-Y472 HydrophobicContact CB-CE1 4Å; K467-Y472 HydrophobicContact CB-CE2 4.1Å; K467-Y472 HydrophobicContact CB-CG 4.35Å
468	R	95.8	Very high	95.1	Very high	194 Å²	194	33.4 Å²	33.4	73%	0.732	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-9	178.9	-55.8	175.6	-175.1	-114.7	-2.3	112.8	E464 T465 A466	E464-R468 PolarHBondContact O-NE 2.76Å; T465-R468 WeakPolarHBondContact O-CB 3.45Å; T465-R468 PolarHBondContact O-N 3Å; A466-R468 PolarHBondContact O-N 2.93Å
469	L	93.9	Very high	95.1	Very high	26 Å²	26	33.6 Å²	33.6	14%	0.136	16%	0.158	C	C	.	.	S	Bend	trans	-78.2	136.2	177.1	-63.5	172.8	0	0	0	110.1	L393 C395 T399 A466 L471 Y472	L393-L469 HydrophobicContact CD1-CB 3.72Å; L393-L469 HydrophobicContact CD1-CD1 4.19Å; L393-L469 HydrophobicContact CD2-CD1 3.98Å; L393-L469 HydrophobicContact CG-CB 4.32Å; L393-L469 HydrophobicContact CG-CD1 3.84Å; C395-L469 HydrophobicContact CB-CD1 3.76Å; C395-L469 HydrophobicContact CB-CD2 3.8Å; C395-L469 HydrophobicContact CB-CG 4.47Å; T399-L469 HydrophobicContact CG2-CD2 4.24Å; A466-L469 WeakPolarHBondContact O-CB 3.4Å; A466-L469 PolarHBondContact O-N 2.91Å; A466-L469 VanDerWaalsContact O-N 3.08Å; L469-L471 VanDerWaalsContact C-N 3.25Å; L469-L471 PolarHBondContact O-N 2.74Å; L469-L471 VanDerWaalsContact O-N 3.12Å; L469-Y472 VanDerWaalsContact O-CB 3.25Å; L469-Y472 WeakPolarHBondContact O-CB 3.4Å; L469-Y472 PolarHBondContact O-N 3.28Å
470	E	91.3	Very high	95	Very high	94 Å²	94	36.8 Å²	36.8	44%	0.439	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-31.1	-168.3	176.9	161.9	-143.9	0	0	114.6	Y499 R504	E470-Y499 HydrophobicContact CG-CE1 4.16Å; E470-R504 WeakPolarHBondContact OE1-CB 3.39Å; E470-R504 IonicContact OE1-CZ 3.84Å; E470-R504 IonicContact OE1-NE 2.79Å; E470-R504 IonicContact OE1-NH1 2.7Å; E470-R504 PolarHBondContact OE1-NH1 2.92Å
471	L	93.4	Very high	94.9	Very high	16 Å²	16	35.3 Å²	35.3	8%	0.084	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	14.7	-178.7	-63.1	175.2	0	0	0	113.4	L393 P394 L469 G473 V474 L476 Y499 P637	L393-L471 VanDerWaalsContact CD1-C 3.42Å; L393-L471 HydrophobicContact CD1-CB 4.12Å; P394-L471 HydrophobicContact CG-CD1 4.05Å; L469-L471 VanDerWaalsContact C-N 3.25Å; L469-L471 PolarHBondContact O-N 2.74Å; L469-L471 VanDerWaalsContact O-N 3.12Å; L471-G473 PolarHBondContact O-N 2.97Å; L471-G473 VanDerWaalsContact O-N 3.08Å; L471-V474 HydrophobicContact CB-CB 4.48Å; L471-V474 HydrophobicContact CD2-CB 4.17Å; L471-V474 HydrophobicContact CD2-CG1 4.21Å; L471-V474 HydrophobicContact CD2-CG2 4.34Å; L471-V474 PolarHBondContact O-N 3.36Å; L471-V474 VanDerWaalsContact O-N 3.12Å; L471-L476 HydrophobicContact CD1-CD1 4.29Å; L471-L476 HydrophobicContact CD2-CD1 4.25Å; L471-L476 HydrophobicContact CD2-CD2 4.33Å; L471-Y499 HydrophobicContact CD2-CE1 3.95Å; L471-Y499 HydrophobicContact CD2-CE2 4.04Å; L471-P637 HydrophobicContact CD1-CB 4.15Å; L471-P637 HydrophobicContact CD1-CG 3.69Å
472	Y	95.6	Very high	94.4	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.016	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	114.3	176.2	168.4	-95.7	0	0	0	110.7	Y364 P365 I384 K467 L469 V474 F493	Y364-Y472 HydrophobicContact CD1-CD2 4.47Å; Y364-Y472 HydrophobicContact CD1-CE2 4.16Å; P365-Y472 WeakPolarHBondContact O-CE1 3.25Å; P365-Y472 PolarHBondContact O-OH 3.08Å; I384-Y472 HydrophobicContact CD1-CD2 4.34Å; I384-Y472 HydrophobicContact CD1-CE2 3.78Å; K467-Y472 HydrophobicContact CB-CD1 4.19Å; K467-Y472 HydrophobicContact CB-CD2 4.31Å; K467-Y472 HydrophobicContact CB-CE1 4Å; K467-Y472 HydrophobicContact CB-CE2 4.1Å; K467-Y472 HydrophobicContact CB-CG 4.35Å; L469-Y472 VanDerWaalsContact O-CB 3.25Å; L469-Y472 WeakPolarHBondContact O-CB 3.4Å; L469-Y472 PolarHBondContact O-N 3.28Å; Y472-V474 VanDerWaalsContact C-N 3.28Å; Y472-V474 PolarHBondContact O-N 3.08Å; Y472-F493 HydrophobicContact CD1-CE1 4.08Å; Y472-F493 HydrophobicContact CE1-CE1 4.36Å
473	G	94.4	Very high	94.1	Very high	5 Å²	5	37.9 Å²	37.9	5%	0.052	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	21	-179.8	0	0	0	0	0	115.7	Y364 L471	Y364-G473 VanDerWaalsContact CD2-CA 3.43Å; L471-G473 PolarHBondContact O-N 2.97Å; L471-G473 VanDerWaalsContact O-N 3.08Å
474	V	94.3	Very high	93.8	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.03	20%	0.203	C	C	.	.			trans	-92.4	115.8	179.1	-174.9	0	0	0	0	110.7	L471 Y472 L476 G490 V491 H494 Y499	L471-V474 HydrophobicContact CB-CB 4.48Å; L471-V474 HydrophobicContact CD2-CB 4.17Å; L471-V474 HydrophobicContact CD2-CG1 4.21Å; L471-V474 HydrophobicContact CD2-CG2 4.34Å; L471-V474 PolarHBondContact O-N 3.36Å; L471-V474 VanDerWaalsContact O-N 3.12Å; Y472-V474 VanDerWaalsContact C-N 3.28Å; Y472-V474 PolarHBondContact O-N 3.08Å; V474-L476 HydrophobicContact CG1-CD2 3.74Å; V474-L476 HydrophobicContact CG1-CG 4.04Å; V474-G490 VanDerWaalsContact CG1-CA 3.46Å; V474-V491 WeakPolarHBondContact CA-O 3.36Å; V474-H494 WeakPolarHBondContact CG2-NE2 3.41Å; V474-Y499 HydrophobicContact CG1-CE2 4.29Å
475	D	93.5	Very high	93.6	Very high	21 Å²	21	41.8 Å²	41.8	11%	0.112	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	107.4	170.1	-175	33.7	0	0	0	109.5	H477 G490 V491	D475-H477 VanDerWaalsContact CG-NE2 3.32Å; D475-H477 PolarHBondContact O-CD2 2.95Å; D475-H477 VanDerWaalsContact O-CD2 3.29Å; D475-H477 IonicContact OD1-NE2 2.76Å; D475-H477 IonicContact OD2-CD2 2.78Å; D475-H477 IonicContact OD2-CE1 3.63Å; D475-H477 PolarHBondContact OD2-CE1 3Å; D475-H477 VanDerWaalsContact OD2-CE1 3.28Å; D475-H477 IonicContact OD2-NE2 2.71Å; D475-H477 PolarHBondContact OD2-NE2 3.35Å; D475-G490 WeakPolarHBondContact O-CA 3.41Å; D475-V491 PolarHBondContact N-O 3.22Å; D475-V491 PolarHBondContact O-N 3.24Å
476	L	92.8	Very high	93.4	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.037	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	124.5	-173.8	-68	170.1	0	0	0	112.3	L471 V474 Y499 A635 M640	L471-L476 HydrophobicContact CD1-CD1 4.29Å; L471-L476 HydrophobicContact CD2-CD1 4.25Å; L471-L476 HydrophobicContact CD2-CD2 4.33Å; V474-L476 HydrophobicContact CG1-CD2 3.74Å; V474-L476 HydrophobicContact CG1-CG 4.04Å; L476-Y499 HydrophobicContact CD2-CD2 3.9Å; L476-Y499 HydrophobicContact CD2-CE2 4.02Å; L476-A635 HydrophobicContact CB-CB 3.79Å; L476-A635 HydrophobicContact CD1-CB 4.19Å; L476-A635 WeakPolarHBondContact CD1-O 3.49Å; L476-M640 HydrophobicContact CD1-SD 4.16Å
477	H	93	Very high	93.3	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123.2	177.4	-58.7	-99.7	0	0	0	110.3	D475 I489 L543 R551 L552	D475-H477 VanDerWaalsContact CG-NE2 3.32Å; D475-H477 PolarHBondContact O-CD2 2.95Å; D475-H477 VanDerWaalsContact O-CD2 3.29Å; D475-H477 IonicContact OD1-NE2 2.76Å; D475-H477 IonicContact OD2-CD2 2.78Å; D475-H477 IonicContact OD2-CE1 3.63Å; D475-H477 PolarHBondContact OD2-CE1 3Å; D475-H477 VanDerWaalsContact OD2-CE1 3.28Å; D475-H477 IonicContact OD2-NE2 2.71Å; D475-H477 PolarHBondContact OD2-NE2 3.35Å; H477-I489 PolarHBondContact N-O 3.23Å; H477-I489 PolarHBondContact O-N 3.34Å; H477-L543 HydrophobicContact CB-CD2 4.38Å; H477-R551 PolarHBondContact CE1-NH1 3.36Å; H477-R551 PolarHBondContact ND1-NH1 2.84Å; H477-L552 HydrophobicContact CB-CB 4.42Å; H477-L552 HydrophobicContact CB-CD1 4.23Å
478	P	92.5	Very high	93.2	Very high	47 Å²	47	45.3 Å²	45.3	31%	0.305	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	132.4	173.9	-13.8	26	0	0	0	111.3	Y488	P478-Y488 HydrophobicContact CB-CD1 4.24Å; P478-Y488 HydrophobicContact CB-CE1 3.95Å; P478-Y488 HydrophobicContact CG-CD1 4.28Å; P478-Y488 HydrophobicContact CG-CE1 3.91Å
479	A	94.5	Very high	93.2	Very high	5 Å²	5	36.1 Å²	36.1	4%	0.041	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	175.1	179.7	0	0	0	0	0	111.4	I487 I489 R542 L543	A479-I487 HydrophobicContact CB-CG1 4.16Å; A479-I487 PolarHBondContact N-O 3.37Å; A479-I487 WeakPolarHBondContact O-CG1 3.46Å; A479-I487 PolarHBondContact O-N 3.11Å; A479-I489 HydrophobicContact CB-CD1 3.55Å; A479-I489 HydrophobicContact CB-CG1 3.89Å; A479-R542 CarbonylContact C-O 3.59Å; A479-R542 WeakPolarHBondContact CA-O 3.43Å; A479-L543 HydrophobicContact CB-CD1 4.45Å; A479-L543 HydrophobicContact CB-CG 4.06Å
480	K	94.6	Very high	93.2	Very high	67 Å²	67	34.9 Å²	34.9	29%	0.291	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	142.8	168.6	-75.8	178.4	173	-67.4	0	110.2	N484 V485 D486 R542	K480-N484 WeakPolarHBondContact CD-O 3.39Å; K480-N484 PolarHBondContact NZ-O 2.98Å; K480-V485 VanDerWaalsContact CA-O 3.23Å; K480-V485 WeakPolarHBondContact CA-O 3.44Å; K480-D486 WeakPolarHBondContact CE-OD1 3.46Å; K480-D486 WeakPolarHBondContact CG-OD1 3.02Å; K480-D486 IonicContact NZ-OD1 3.98Å; K480-D486 PolarHBondContact NZ-OD1 3.39Å; K480-D486 IonicContact NZ-OD2 3.74Å; K480-D486 PolarHBondContact NZ-OD2 3.12Å; K480-R542 PolarHBondContact N-O 3.44Å; K480-R542 PolarHBondContact O-N 3.28Å
481	D	92.6	Very high	93.5	Very high	25 Å²	25	30.4 Å²	30.4	13%	0.134	16%	0.162	C	C	.	.			trans	-72.1	174	169.8	-145.2	-51.4	0	0	0	111.3	E483 N484 V485 I487	D481-E483 PolarHBondContact O-N 2.74Å; D481-N484 WeakPolarHBondContact O-CA 3.43Å; D481-N484 PolarHBondContact O-N 3.38Å; D481-V485 PolarHBondContact N-O 3.15Å; D481-I487 HydrophobicContact CB-CD1 4.2Å
482	T	87.8	Confident	93.6	Very high	71 Å²	71	29.6 Å²	29.6	44%	0.436	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44	-44.5	165.6	52.6	0	0	0	0	113.1	I126 N484	I126-T482 HydrophobicContact CD1-CG2 4.42Å; T482-N484 PolarHBondContact O-N 2.61Å
483	E	90.5	Very high	93.6	Very high	85 Å²	85	31.8 Å²	31.8	40%	0.397	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	2.7	176.6	-60.8	-175.9	173.1	0	0	113.6	Q123 H127 D481 V485	Q123-E483 PolarHBondContact NE2-OE1 2.75Å; H127-E483 IonicContact CD2-OE1 2.89Å; H127-E483 IonicContact CE1-OE1 2.67Å; H127-E483 IonicContact NE2-OE1 3.84Å; H127-E483 PolarHBondContact NE2-OE1 2.75Å; D481-E483 PolarHBondContact O-N 2.74Å; E483-V485 HydrophobicContact CB-CG2 4.14Å; E483-V485 PolarHBondContact O-N 3.41Å
484	N	90.9	Very high	93.5	Very high	79 Å²	79	32.8 Å²	32.8	42%	0.422	17%	0.171	S	C	.	.			trans	66.6	7.2	-175.9	-46.7	-87.6	0	0	0	115.7	K480 D481 T482 R542	K480-N484 WeakPolarHBondContact CD-O 3.39Å; K480-N484 PolarHBondContact NZ-O 2.98Å; D481-N484 WeakPolarHBondContact O-CA 3.43Å; D481-N484 PolarHBondContact O-N 3.38Å; T482-N484 PolarHBondContact O-N 2.61Å; N484-R542 PolarHBondContact OD1-NH1 3.22Å
485	V	93.2	Very high	93.6	Very high	45 Å²	45	32.5 Å²	32.5	27%	0.273	17%	0.169	S	C	.	.			trans	-61.1	133	171.4	179	0	0	0	0	110.1	K480 D481 E483 I487	K480-V485 VanDerWaalsContact CA-O 3.23Å; K480-V485 WeakPolarHBondContact CA-O 3.44Å; D481-V485 PolarHBondContact N-O 3.15Å; E483-V485 HydrophobicContact CB-CG2 4.14Å; E483-V485 PolarHBondContact O-N 3.41Å; V485-I487 HydrophobicContact CG1-CG2 4.43Å
486	D	93.9	Very high	93.8	Very high	107 Å²	107	31.5 Å²	31.5	57%	0.572	16%	0.164	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	130.4	176.7	-66.3	-70.3	0	0	0	111.6	K480	K480-D486 WeakPolarHBondContact CE-OD1 3.46Å; K480-D486 WeakPolarHBondContact CG-OD1 3.02Å; K480-D486 IonicContact NZ-OD1 3.98Å; K480-D486 PolarHBondContact NZ-OD1 3.39Å; K480-D486 IonicContact NZ-OD2 3.74Å; K480-D486 PolarHBondContact NZ-OD2 3.12Å
487	I	94	Very high	93.9	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.015	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	167.7	-174.1	57.5	167.5	0	0	0	110.2	A479 D481 V485 I498 Y499 R500 F541	A479-I487 HydrophobicContact CB-CG1 4.16Å; A479-I487 PolarHBondContact N-O 3.37Å; A479-I487 WeakPolarHBondContact O-CG1 3.46Å; A479-I487 PolarHBondContact O-N 3.11Å; D481-I487 HydrophobicContact CB-CD1 4.2Å; V485-I487 HydrophobicContact CG1-CG2 4.43Å; I487-I498 HydrophobicContact CB-CG2 4.37Å; I487-I498 HydrophobicContact CD1-CG2 4.02Å; I487-Y499 WeakPolarHBondContact CA-O 3.47Å; I487-R500 HydrophobicContact CG2-CB 4.31Å; I487-F541 HydrophobicContact CD1-CD1 3.49Å; I487-F541 VanDerWaalsContact CD1-CD1 3.49Å; I487-F541 HydrophobicContact CD1-CE1 3.76Å; I487-F541 HydrophobicContact CD1-CG 4.43Å
488	Y	94.2	Very high	94	Very high	45 Å²	45	31.6 Å²	31.6	18%	0.176	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.8	171.5	-66.3	-90.8	0	0	0	110.8	P478 Y499 A635 D639 M640	P478-Y488 HydrophobicContact CB-CD1 4.24Å; P478-Y488 HydrophobicContact CB-CE1 3.95Å; P478-Y488 HydrophobicContact CG-CD1 4.28Å; P478-Y488 HydrophobicContact CG-CE1 3.91Å; Y488-Y499 PolarHBondContact N-O 3.29Å; Y488-Y499 PolarHBondContact O-N 2.72Å; Y488-A635 HydrophobicContact CD1-CB 3.38Å; Y488-A635 HydrophobicContact CE1-CB 3.24Å; Y488-A635 HydrophobicContact CG-CB 4.43Å; Y488-D639 PolarHBondContact OH-O 3.21Å; Y488-M640 HydrophobicContact CD2-CB 4.21Å; Y488-M640 HydrophobicContact CD2-CE 4.19Å; Y488-M640 HydrophobicContact CD2-CG 3.77Å; Y488-M640 HydrophobicContact CE2-CB 3.99Å; Y488-M640 HydrophobicContact CE2-CG 3.73Å; Y488-M640 HydrophobicContact CG-CE 4.43Å; Y488-M640 HydrophobicContact CG-CG 4.26Å
489	I	95.5	Very high	94.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	109.4	176.6	-56.4	176	0	0	0	107.7	H477 A479 V496 I498 F523 F541 L552	H477-I489 PolarHBondContact N-O 3.23Å; H477-I489 PolarHBondContact O-N 3.34Å; A479-I489 HydrophobicContact CB-CD1 3.55Å; A479-I489 HydrophobicContact CB-CG1 3.89Å; I489-V496 HydrophobicContact CG2-CG1 3.45Å; I489-V496 VanDerWaalsContact CG2-CG1 3.45Å; I489-I498 HydrophobicContact CG1-CD1 4Å; I489-I498 HydrophobicContact CG2-CD1 4.24Å; I489-F523 HydrophobicContact CD1-CD1 4.43Å; I489-F541 HydrophobicContact CD1-CB 3.61Å; I489-F541 HydrophobicContact CD1-CD1 4.35Å; I489-F541 HydrophobicContact CD1-CD2 3.73Å; I489-F541 HydrophobicContact CD1-CE2 4.46Å; I489-F541 HydrophobicContact CD1-CG 3.64Å; I489-L552 HydrophobicContact CB-CD1 4.42Å; I489-L552 HydrophobicContact CB-CD2 4.27Å; I489-L552 HydrophobicContact CD1-CD2 3.73Å; I489-L552 HydrophobicContact CG2-CD1 3.85Å; I489-L552 HydrophobicContact CG2-CD2 4.1Å
490	G	95.6	Very high	93.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	132.1	173.1	0	0	0	0	0	111.9	V474 D475 V496 V497	V474-G490 VanDerWaalsContact CG1-CA 3.46Å; D475-G490 WeakPolarHBondContact O-CA 3.41Å; G490-V496 CarbonylContact O-C 3.54Å; G490-V496 WeakPolarHBondContact O-CA 3.33Å; G490-V497 PolarHBondContact N-O 2.89Å; G490-V497 PolarHBondContact O-N 2.75Å
491	V	96.9	Very high	93.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.9	170.2	-178.3	0	0	0	0	109.1	V474 D475 W510 L552 A556 H559	V474-V491 WeakPolarHBondContact CA-O 3.36Å; D475-V491 PolarHBondContact N-O 3.22Å; D475-V491 PolarHBondContact O-N 3.24Å; V491-W510 HydrophobicContact CG1-CH2 4.14Å; V491-W510 HydrophobicContact CG1-CZ2 4.07Å; V491-L552 HydrophobicContact CG2-CD1 3.52Å; V491-A556 HydrophobicContact CG1-CB 4.48Å; V491-A556 HydrophobicContact CG2-CB 4.31Å; V491-H559 HydrophobicContact CG1-CB 3.8Å
492	G	96.1	Very high	93	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	-174.3	178.4	0	0	0	0	0	113	H494 G495 W510	G492-H494 PolarHBondContact O-N 2.72Å; G492-G495 PolarHBondContact N-O 3.46Å; G492-G495 PolarHBondContact O-N 3.45Å; G492-W510 WeakPolarHBondContact O-CZ2 3.44Å; G492-W510 PolarHBondContact O-NE1 3.02Å
493	F	95.2	Very high	93.1	Very high	50 Å²	50	41.7 Å²	41.7	22%	0.219	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.6	-179.5	76.2	-88.9	0	0	0	113.7	P366 Y472 W510 F563 Y733	P366-F493 HydrophobicContact CB-CD2 3.71Å; P366-F493 HydrophobicContact CB-CE2 3.86Å; P366-F493 HydrophobicContact CB-CG 4.31Å; Y472-F493 HydrophobicContact CD1-CE1 4.08Å; Y472-F493 HydrophobicContact CE1-CE1 4.36Å; F493-W510 PolarHBondContact O-NE1 2.87Å; F493-F563 HydrophobicContact CB-CD1 4.18Å; F493-F563 HydrophobicContact CB-CD2 4.16Å; F493-F563 HydrophobicContact CB-CE1 3.78Å; F493-F563 HydrophobicContact CB-CE2 3.77Å; F493-F563 HydrophobicContact CB-CG 4.37Å; F493-F563 HydrophobicContact CB-CZ 3.56Å; F493-Y733 PolarHBondContact O-OH 2.77Å
494	H	92.2	Very high	93.2	Very high	25 Å²	25	43.6 Å²	43.6	12%	0.116	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-9.2	-173.7	53.4	30.6	0	0	0	115.4	V474 G492 V497 R507	V474-H494 WeakPolarHBondContact CG2-NE2 3.41Å; G492-H494 PolarHBondContact O-N 2.72Å; H494-V497 WeakPolarHBondContact CE1-CG2 3.38Å; H494-R507 PolarHBondContact O-NE 3.37Å; H494-R507 PolarHBondContact O-NH2 3.17Å
495	G	96.5	Very high	93.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	120.4	-169	-166	0	0	0	0	0	112.7	G492 F508 W510	G492-G495 PolarHBondContact N-O 3.46Å; G492-G495 PolarHBondContact O-N 3.45Å; G495-F508 CarbonylContact C-O 3.59Å; G495-F508 VanDerWaalsContact CA-O 3.27Å; G495-F508 WeakPolarHBondContact CA-O 3.34Å; G495-W510 VanDerWaalsContact CA-CE2 3.48Å
496	V	97.1	Very high	93.3	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	136.8	163.5	-175.9	0	0	0	0	108.6	I489 G490 I498 R507 F508 W510 L525	I489-V496 HydrophobicContact CG2-CG1 3.45Å; I489-V496 VanDerWaalsContact CG2-CG1 3.45Å; G490-V496 CarbonylContact O-C 3.54Å; G490-V496 WeakPolarHBondContact O-CA 3.33Å; V496-I498 HydrophobicContact CG1-CD1 4.43Å; V496-R507 CarbonylContact O-C 3.54Å; V496-F508 HydrophobicContact CB-CB 4.47Å; V496-F508 PolarHBondContact N-O 3.13Å; V496-F508 PolarHBondContact O-N 3.21Å; V496-W510 HydrophobicContact CG2-CH2 3.67Å; V496-W510 HydrophobicContact CG2-CZ3 3.78Å; V496-L525 HydrophobicContact CB-CD1 4.08Å; V496-L525 HydrophobicContact CG1-CD1 4.13Å; V496-L525 HydrophobicContact CG2-CD1 4.17Å; V496-L525 HydrophobicContact CG2-CD2 4.48Å
497	V	95.4	Very high	93.3	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.8	-177.7	178.7	0	0	0	0	109.2	G490 H494 Y499 R504 G506 R507	G490-V497 PolarHBondContact N-O 2.89Å; G490-V497 PolarHBondContact O-N 2.75Å; H494-V497 WeakPolarHBondContact CE1-CG2 3.38Å; V497-Y499 HydrophobicContact CB-CE2 3.87Å; V497-Y499 HydrophobicContact CG1-CD2 3.96Å; V497-Y499 HydrophobicContact CG1-CE1 4.27Å; V497-Y499 HydrophobicContact CG1-CE2 3.35Å; V497-R504 HydrophobicContact CG1-CG 3.52Å; V497-G506 WeakPolarHBondContact CA-O 3.48Å; V497-G506 WeakPolarHBondContact CG1-O 3.39Å; V497-R507 HydrophobicContact CG2-CB 4.2Å; V497-R507 HydrophobicContact CG2-CG 3.9Å
498	I	95	Very high	93.3	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.036	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129	179.4	-46.4	-59.6	0	0	0	108.8	I487 I489 V496 I505 G506 F508 F541	I487-I498 HydrophobicContact CB-CG2 4.37Å; I487-I498 HydrophobicContact CD1-CG2 4.02Å; I489-I498 HydrophobicContact CG1-CD1 4Å; I489-I498 HydrophobicContact CG2-CD1 4.24Å; V496-I498 HydrophobicContact CG1-CD1 4.43Å; I498-I505 HydrophobicContact CB-CG1 4.12Å; I498-I505 HydrophobicContact CG2-CD1 3.89Å; I498-I505 HydrophobicContact CG2-CG1 3.82Å; I498-I505 PolarHBondContact O-N 3.18Å; I498-G506 PolarHBondContact N-O 2.75Å; I498-G506 PolarHBondContact O-N 2.94Å; I498-F508 HydrophobicContact CD1-CE2 4.18Å; I498-F508 HydrophobicContact CG1-CD2 4.48Å; I498-F508 HydrophobicContact CG1-CE2 3.87Å; I498-F541 HydrophobicContact CD1-CE1 4.08Å; I498-F541 HydrophobicContact CD1-CE2 3.81Å; I498-F541 HydrophobicContact CD1-CZ 3.46Å; I498-F541 VanDerWaalsContact CD1-CZ 3.46Å; I498-F541 HydrophobicContact CG1-CZ 3.96Å
499	Y	93.8	Very high	93.4	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.016	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	146.6	176.7	-60.2	-96.4	0	0	0	111.3	E470 L471 V474 L476 I487 Y488 V497 L503 R504 M640	E470-Y499 HydrophobicContact CG-CE1 4.16Å; L471-Y499 HydrophobicContact CD2-CE1 3.95Å; L471-Y499 HydrophobicContact CD2-CE2 4.04Å; V474-Y499 HydrophobicContact CG1-CE2 4.29Å; L476-Y499 HydrophobicContact CD2-CD2 3.9Å; L476-Y499 HydrophobicContact CD2-CE2 4.02Å; I487-Y499 WeakPolarHBondContact CA-O 3.47Å; Y488-Y499 PolarHBondContact N-O 3.29Å; Y488-Y499 PolarHBondContact O-N 2.72Å; V497-Y499 HydrophobicContact CB-CE2 3.87Å; V497-Y499 HydrophobicContact CG1-CD2 3.96Å; V497-Y499 HydrophobicContact CG1-CE1 4.27Å; V497-Y499 HydrophobicContact CG1-CE2 3.35Å; Y499-L503 CarbonylContact C-O 3.49Å; Y499-L503 WeakPolarHBondContact CA-O 3.35Å; Y499-R504 HydrophobicContact CD1-CB 3.88Å; Y499-R504 HydrophobicContact CD1-CG 4.42Å; Y499-R504 HydrophobicContact CE1-CB 3.77Å; Y499-R504 HydrophobicContact CE1-CG 4.14Å; Y499-M640 HydrophobicContact CD1-CE 4.17Å; Y499-M640 HydrophobicContact CG-CE 3.82Å
500	R	91.4	Very high	93.3	Very high	109 Å²	109	41.4 Å²	41.4	41%	0.411	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	137.7	175.7	170.7	178.6	167.9	178.6	-0.5	108.4	I487 R502 L503 I505	I487-R500 HydrophobicContact CG2-CB 4.31Å; R500-R502 PolarHBondContact O-N 3.09Å; R500-R502 VanDerWaalsContact O-N 3.14Å; R500-L503 PolarHBondContact N-O 3.49Å; R500-L503 WeakPolarHBondContact O-CA 3.36Å; R500-L503 PolarHBondContact O-N 3.16Å; R500-L503 VanDerWaalsContact O-O 3.07Å; R500-I505 HydrophobicContact CB-CD1 3.73Å; R500-I505 HydrophobicContact CB-CG1 4.16Å; R500-I505 HydrophobicContact CB-CG2 4.02Å
501	D	86.3	Confident	93.2	Very high	66 Å²	66	43 Å²	43	35%	0.353	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	40.6	175.4	-62.5	-54.5	0	0	0	113.4	L503 M640 V642	D501-L503 PolarHBondContact O-N 3.37Å; D501-L503 VanDerWaalsContact O-N 3.16Å; D501-M640 CarbonylContact C-O 3.53Å; D501-M640 WeakPolarHBondContact CA-O 3.45Å; D501-V642 WeakPolarHBondContact OD1-CA 3.45Å; D501-V642 PolarHBondContact OD1-N 2.8Å
502	R	82.4	Confident	92.9	Very high	124 Å²	124	46.1 Å²	46.1	47%	0.468	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	-9.1	-169	-63.4	175.7	-176.2	158.4	8	117.1	R500 P637 R638 M640 T641	R500-R502 PolarHBondContact O-N 3.09Å; R500-R502 VanDerWaalsContact O-N 3.14Å; R502-P637 WeakPolarHBondContact CG-O 3.5Å; R502-P637 PolarHBondContact NE-O 2.94Å; R502-R638 PolarHBondContact NH2-O 2.86Å; R502-M640 HydrophobicContact CG-CB 3.8Å; R502-M640 PolarHBondContact N-O 2.78Å; R502-M640 VanDerWaalsContact N-O 3.11Å; R502-T641 VanDerWaalsContact CZ-CG2 3.47Å
503	L	89.2	Confident	92.7	Very high	125 Å²	125	46.4 Å²	46.4	65%	0.654	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	147	178.3	-59.8	176.7	0	0	0	111.8	Y499 R500 D501 I505	Y499-L503 CarbonylContact C-O 3.49Å; Y499-L503 WeakPolarHBondContact CA-O 3.35Å; R500-L503 PolarHBondContact N-O 3.49Å; R500-L503 WeakPolarHBondContact O-CA 3.36Å; R500-L503 PolarHBondContact O-N 3.16Å; R500-L503 VanDerWaalsContact O-O 3.07Å; D501-L503 PolarHBondContact O-N 3.37Å; D501-L503 VanDerWaalsContact O-N 3.16Å; L503-I505 PolarHBondContact O-N 2.86Å
504	R	92.7	Very high	92.6	Very high	124 Å²	124	45.7 Å²	45.7	47%	0.468	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	108	172.1	-176.9	-178.1	70.4	-130.2	4.2	110.2	E470 V497 Y499	E470-R504 WeakPolarHBondContact OE1-CB 3.39Å; E470-R504 IonicContact OE1-CZ 3.84Å; E470-R504 IonicContact OE1-NE 2.79Å; E470-R504 IonicContact OE1-NH1 2.7Å; E470-R504 PolarHBondContact OE1-NH1 2.92Å; V497-R504 HydrophobicContact CG1-CG 3.52Å; Y499-R504 HydrophobicContact CD1-CB 3.88Å; Y499-R504 HydrophobicContact CD1-CG 4.42Å; Y499-R504 HydrophobicContact CE1-CB 3.77Å; Y499-R504 HydrophobicContact CE1-CG 4.14Å
505	I	92.7	Very high	92.6	Very high	49 Å²	49	48.4 Å²	48.4	25%	0.251	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-13.2	-176.2	60.9	162.8	0	0	0	114.4	I498 R500 L503	I498-I505 HydrophobicContact CB-CG1 4.12Å; I498-I505 HydrophobicContact CG2-CD1 3.89Å; I498-I505 HydrophobicContact CG2-CG1 3.82Å; I498-I505 PolarHBondContact O-N 3.18Å; R500-I505 HydrophobicContact CB-CD1 3.73Å; R500-I505 HydrophobicContact CB-CG1 4.16Å; R500-I505 HydrophobicContact CB-CG2 4.02Å; L503-I505 PolarHBondContact O-N 2.86Å
506	G	92.3	Very high	92.6	Very high	21 Å²	21	48.4 Å²	48.4	22%	0.216	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	159.2	178.1	0	0	0	0	0	114.4	V497 I498	V497-G506 WeakPolarHBondContact CA-O 3.48Å; V497-G506 WeakPolarHBondContact CG1-O 3.39Å; I498-G506 PolarHBondContact N-O 2.75Å; I498-G506 PolarHBondContact O-N 2.94Å
507	R	94.7	Very high	92.5	Very high	116 Å²	116	48.8 Å²	48.8	44%	0.438	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	120	178.3	174.3	171.9	172.9	-149.1	-4.2	112.8	H494 V496 V497	H494-R507 PolarHBondContact O-NE 3.37Å; H494-R507 PolarHBondContact O-NH2 3.17Å; V496-R507 CarbonylContact O-C 3.54Å; V497-R507 HydrophobicContact CG2-CB 4.2Å; V497-R507 HydrophobicContact CG2-CG 3.9Å
508	F	94.7	Very high	92.5	Very high	25 Å²	25	50 Å²	50	11%	0.11	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	87.6	170.3	-51.7	-68.6	0	0	0	109.3	G495 V496 I498 V513 L525 I527 V539 F541	G495-F508 CarbonylContact C-O 3.59Å; G495-F508 VanDerWaalsContact CA-O 3.27Å; G495-F508 WeakPolarHBondContact CA-O 3.34Å; V496-F508 HydrophobicContact CB-CB 4.47Å; V496-F508 PolarHBondContact N-O 3.13Å; V496-F508 PolarHBondContact O-N 3.21Å; I498-F508 HydrophobicContact CD1-CE2 4.18Å; I498-F508 HydrophobicContact CG1-CD2 4.48Å; I498-F508 HydrophobicContact CG1-CE2 3.87Å; F508-V513 HydrophobicContact CB-CG2 4.11Å; F508-L525 HydrophobicContact CB-CD1 4.26Å; F508-L525 HydrophobicContact CD2-CD1 3.64Å; F508-L525 HydrophobicContact CE2-CD1 4.3Å; F508-L525 HydrophobicContact CG-CD1 4.07Å; F508-I527 HydrophobicContact CB-CD1 3.92Å; F508-I527 HydrophobicContact CD1-CD1 3.53Å; F508-I527 HydrophobicContact CD1-CG1 3.78Å; F508-I527 HydrophobicContact CE1-CD1 4.3Å; F508-I527 HydrophobicContact CE1-CG1 4.1Å; F508-I527 HydrophobicContact CG-CD1 3.83Å; F508-V539 HydrophobicContact CE1-CG2 3.98Å; F508-V539 HydrophobicContact CE2-CG1 4.43Å; F508-V539 HydrophobicContact CZ-CB 4.27Å; F508-V539 HydrophobicContact CZ-CG1 4.06Å; F508-V539 HydrophobicContact CZ-CG2 3.86Å; F508-F541 HydrophobicContact CE2-CE2 4.37Å; F508-F541 HydrophobicContact CE2-CZ 4.14Å
509	A	94.8	Very high	92.5	Very high	19 Å²	19	53.1 Å²	53.1	16%	0.157	24%	0.241	C	C	.	.			trans	-60.6	139.5	176.2	0	0	0	0	0	111	P511 K512	A509-P511 VanDerWaalsContact C-N 3.33Å; A509-P511 VanDerWaalsContact O-N 3.09Å; A509-K512 PolarHBondContact O-N 2.88Å
510	W	95.2	Very high	92.5	Very high	3 Å²	3	60.5 Å²	60.5	1%	0.011	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-49.2	-39	-172.3	-66	128.2	0	0	0	115.9	V491 G492 F493 G495 V496 K512 V513 I516 A556 H559 H560 R564	V491-W510 HydrophobicContact CG1-CH2 4.14Å; V491-W510 HydrophobicContact CG1-CZ2 4.07Å; G492-W510 WeakPolarHBondContact O-CZ2 3.44Å; G492-W510 PolarHBondContact O-NE1 3.02Å; F493-W510 PolarHBondContact O-NE1 2.87Å; G495-W510 VanDerWaalsContact CA-CE2 3.48Å; V496-W510 HydrophobicContact CG2-CH2 3.67Å; V496-W510 HydrophobicContact CG2-CZ3 3.78Å; W510-K512 PolarHBondContact O-N 2.9Å; W510-V513 HydrophobicContact CE3-CG2 4.27Å; W510-V513 PolarHBondContact O-N 2.71Å; W510-V513 VanDerWaalsContact O-N 3.09Å; W510-I516 HydrophobicContact CZ3-CD1 4.04Å; W510-A556 HydrophobicContact CH2-CB 4.25Å; W510-A556 WeakPolarHBondContact CH2-O 3.31Å; W510-H559 HydrophobicContact CH2-CB 4.21Å; W510-H559 HydrophobicContact CZ2-CB 3.58Å; W510-H560 HydrophobicContact CD2-CB 4.29Å; W510-H560 HydrophobicContact CE3-CB 3.88Å; W510-H560 AromaticContact CE3-CD2 3.91Å; W510-H560 HydrophobicContact CH2-CB 4.49Å; W510-H560 HydrophobicContact CZ3-CB 3.99Å; W510-R564 HydrophobicContact CB-CG 3.6Å; W510-R564 HydrophobicContact CG-CG 4.22Å
511	P	91.8	Very high	92.7	Very high	35 Å²	35	57.5 Å²	57.5	23%	0.227	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-62.6	-18.8	176.4	-21.8	33.3	0	0	0	115.5	A509	A509-P511 VanDerWaalsContact C-N 3.33Å; A509-P511 VanDerWaalsContact O-N 3.09Å
512	K	91.5	Very high	93.2	Very high	65 Å²	65	56.6 Å²	56.6	28%	0.283	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-90.4	-12	175.2	-60	-160.3	-175.2	-168.1	0	113.3	Y129 A509 W510 I527 R528 D530	Y129-K512 PolarHBondContact OH-NZ 3.08Å; A509-K512 PolarHBondContact O-N 2.88Å; W510-K512 PolarHBondContact O-N 2.9Å; K512-I527 HydrophobicContact CB-CG2 4.19Å; K512-I527 CarbonylContact O-C 3.38Å; K512-I527 WeakPolarHBondContact O-CA 3.45Å; K512-R528 WeakPolarHBondContact O-CB 3.43Å; K512-R528 PolarHBondContact O-N 2.94Å; K512-D530 WeakPolarHBondContact CE-OD1 3.35Å; K512-D530 IonicContact NZ-OD1 3.25Å; K512-D530 PolarHBondContact NZ-OD1 2.98Å; K512-D530 IonicContact NZ-OD2 3.86Å; K512-D530 PolarHBondContact NZ-OD2 2.78Å
513	V	93	Very high	93.9	Very high	6 Å²	6	50.7 Å²	50.7	4%	0.036	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	114.7	-175.7	-173.3	0	0	0	0	110.2	F508 W510 I516 L525 I527 L892	F508-V513 HydrophobicContact CB-CG2 4.11Å; W510-V513 HydrophobicContact CE3-CG2 4.27Å; W510-V513 PolarHBondContact O-N 2.71Å; W510-V513 VanDerWaalsContact O-N 3.09Å; V513-I516 HydrophobicContact CG1-CD1 4.22Å; V513-I516 HydrophobicContact CG1-CG1 3.7Å; V513-L525 HydrophobicContact CG1-CD2 4.06Å; V513-I527 HydrophobicContact CG2-CD1 4.17Å; V513-L892 HydrophobicContact CB-CD1 4.42Å; V513-L892 HydrophobicContact CG1-CD1 3.99Å; V513-L892 WeakPolarHBondContact O-CD1 3.14Å
514	L	91.9	Very high	94.2	Very high	34 Å²	34	48.1 Å²	48.1	18%	0.178	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-32.2	-176.5	-64.5	179.5	0	0	0	113.8	K526 R528 E536 L892	L514-K526 HydrophobicContact CB-CB 4.37Å; L514-K526 HydrophobicContact CB-CG 4.45Å; L514-K526 PolarHBondContact N-O 2.93Å; L514-R528 HydrophobicContact CD1-CB 4.13Å; L514-R528 HydrophobicContact CD2-CB 4.12Å; L514-R528 HydrophobicContact CG-CB 4.02Å; L514-E536 HydrophobicContact CD1-CG 4.46Å; L514-E536 WeakPolarHBondContact CD1-OE1 3.42Å; L514-L892 WeakPolarHBondContact O-CB 3.45Å; L514-L892 PolarHBondContact O-N 3.15Å
515	R	93	Very high	94.3	Very high	83 Å²	83	42.2 Å²	42.2	31%	0.313	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	140.5	-179.2	166	175.6	167.8	171.8	-8.1	109.6	K526 E887 T889 V890	R515-K526 HydrophobicContact CB-CB 3.9Å; R515-K526 PolarHBondContact O-N 2.88Å; R515-E887 IonicContact CZ-OE1 3.34Å; R515-E887 IonicContact NE-OE1 2.7Å; R515-E887 IonicContact NH2-OE1 2.69Å; R515-E887 PolarHBondContact NH2-OE1 3.2Å; R515-E887 IonicContact NH2-OE2 2.64Å; R515-T889 HydrophobicContact CG-CG2 4.16Å; R515-T889 VanDerWaalsContact CZ-OG1 3.31Å; R515-T889 PolarHBondContact NE-OG1 3.25Å; R515-T889 PolarHBondContact NH2-OG1 2.81Å; R515-V890 WeakPolarHBondContact CA-O 3.11Å
516	I	95.9	Very high	94.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.9	173.5	-54.3	173.1	0	0	0	107	W510 V513 F523 L525 W553 A556 V557 H560 V890 L892	W510-I516 HydrophobicContact CZ3-CD1 4.04Å; V513-I516 HydrophobicContact CG1-CD1 4.22Å; V513-I516 HydrophobicContact CG1-CG1 3.7Å; I516-F523 HydrophobicContact CG2-CE2 3.5Å; I516-F523 HydrophobicContact CG2-CZ 3.91Å; I516-L525 HydrophobicContact CB-CD2 4.49Å; I516-L525 HydrophobicContact CG1-CD2 3.95Å; I516-L525 HydrophobicContact CG2-CD2 4.24Å; I516-W553 PolarHBondContact O-NE1 3.34Å; I516-A556 HydrophobicContact CD1-CB 4.18Å; I516-A556 HydrophobicContact CG2-CB 4.22Å; I516-V557 HydrophobicContact CB-CG2 4.24Å; I516-V557 HydrophobicContact CG2-CG2 4.18Å; I516-H560 HydrophobicContact CD1-CB 4.33Å; I516-V890 PolarHBondContact N-O 3.38Å; I516-V890 VanDerWaalsContact N-O 3.09Å; I516-V890 PolarHBondContact O-N 2.66Å; I516-L892 HydrophobicContact CD1-CD1 3.94Å; I516-L892 HydrophobicContact CG1-CD1 3.93Å
517	S	95.3	Very high	94.4	Very high	7 Å²	7	41.8 Å²	41.8	5%	0.049	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	163.9	178.1	69.6	0	0	0	0	112.7	Y524 E887 Q888 T889	S517-Y524 PolarHBondContact N-O 3.17Å; S517-Y524 PolarHBondContact O-N 3.2Å; S517-E887 WeakPolarHBondContact CB-OE1 3.42Å; S517-E887 PolarHBondContact OG-OE1 3.29Å; S517-Q888 CarbonylContact C-O 3.53Å; S517-Q888 WeakPolarHBondContact CA-O 3.12Å; S517-Q888 WeakPolarHBondContact CB-O 3.49Å; S517-T889 WeakPolarHBondContact CB-OG1 3.2Å
518	Y	95.4	Very high	94.1	Very high	27 Å²	27	40.9 Å²	40.9	11%	0.106	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	148.5	171.7	89.9	-83.3	0	0	0	110.9	N522 A549 N550 W553 Q888	Y518-N522 CarbonylContact C-O 3.58Å; Y518-N522 WeakPolarHBondContact CA-O 3.3Å; Y518-N522 WeakPolarHBondContact CB-O 3.46Å; Y518-A549 HydrophobicContact CD2-CB 4.02Å; Y518-N550 HydrophobicContact CE1-CB 4.38Å; Y518-N550 WeakPolarHBondContact CE1-ND2 3.37Å; Y518-N550 HydrophobicContact CE2-CB 4.15Å; Y518-N550 PolarHBondContact OH-ND2 2.95Å; Y518-W553 HydrophobicContact CD1-CB 3.71Å; Y518-W553 AromaticContact CD1-CD1 3.77Å; Y518-W553 AromaticContact CD1-CD2 3.59Å; Y518-W553 HydrophobicContact CD1-CD2 3.59Å; Y518-W553 HydrophobicContact CD1-CE3 4.07Å; Y518-W553 AromaticContact CD1-CG 3.41Å; Y518-W553 HydrophobicContact CD1-CG 3.41Å; Y518-W553 VanDerWaalsContact CD1-CG 3.41Å; Y518-W553 HydrophobicContact CE1-CB 4.44Å; Y518-W553 AromaticContact CE1-CD2 3.9Å; Y518-W553 HydrophobicContact CE1-CD2 3.9Å; Y518-W553 AromaticContact CE1-CE3 3.89Å; Y518-W553 HydrophobicContact CE1-CE3 3.89Å; Y518-W553 HydrophobicContact CE1-CG 4.16Å; Y518-W553 HydrophobicContact CE1-CZ3 4.41Å; Y518-W553 HydrophobicContact CG-CB 4.13Å; Y518-W553 HydrophobicContact CG-CG 4.2Å; Y518-Q888 HydrophobicContact CD1-CB 3.91Å; Y518-Q888 HydrophobicContact CE1-CB 3.58Å; Y518-Q888 HydrophobicContact CE1-CG 3.84Å; Y518-Q888 PolarHBondContact N-O 2.83Å; Y518-Q888 PolarHBondContact O-N 2.92Å; Y518-Q888 VanDerWaalsContact O-N 3.14Å; Y518-Q888 PolarHBondContact OH-NE2 3.38Å
519	K	94.5	Very high	93.6	Very high	74 Å²	74	42 Å²	42	32%	0.322	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	118.9	178.3	-163.9	169	-169.1	158.9	0	109.7	N521 N522 Y524 D885 E887	K519-N521 PolarHBondContact O-N 3.19Å; K519-N522 PolarHBondContact N-O 2.9Å; K519-N522 PolarHBondContact O-N 3.12Å; K519-Y524 HydrophobicContact CB-CE2 4.28Å; K519-D885 WeakPolarHBondContact CE-O 2.93Å; K519-D885 PolarHBondContact NZ-O 2.94Å; K519-E887 HydrophobicContact CB-CG 4.34Å; K519-E887 HydrophobicContact CD-CB 4.11Å; K519-E887 HydrophobicContact CG-CB 4.36Å
520	K	94.6	Very high	92.7	Very high	158 Å²	158	43.5 Å²	43.5	69%	0.687	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	-115	-172.5	-57.2	177.9	-178.8	178.1	0	110.9	P546	K520-P546 WeakPolarHBondContact O-CA 3.46Å
521	N	94.7	Very high	91.4	Very high	46 Å²	46	55.4 Å²	55.4	25%	0.246	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-11.6	177.9	-77.3	42.9	0	0	0	114	K519 R542 L543 L544 N545 P546	K519-N521 PolarHBondContact O-N 3.19Å; N521-R542 HydrophobicContact CB-CG 4.29Å; N521-L543 WeakPolarHBondContact CB-O 3.49Å; N521-L543 PolarHBondContact ND2-O 3.3Å; N521-L543 PolarHBondContact O-N 2.89Å; N521-L544 VanDerWaalsContact ND2-C 3.3Å; N521-L544 PolarHBondContact ND2-O 2.86Å; N521-N545 WeakPolarHBondContact ND2-CA 3.27Å; N521-N545 PolarHBondContact ND2-N 3.12Å; N521-P546 VanDerWaalsContact OD1-CD 3.23Å; N521-P546 WeakPolarHBondContact OD1-CD 3.29Å; N521-P546 WeakPolarHBondContact OD1-CG 3.46Å
522	N	96.5	Very high	90.3	Very high	47 Å²	47	57.8 Å²	57.8	25%	0.251	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	137.4	-169.7	-54.8	-27.9	0	0	0	110.9	Y518 K519 Y524 F541 R542	Y518-N522 CarbonylContact C-O 3.58Å; Y518-N522 WeakPolarHBondContact CA-O 3.3Å; Y518-N522 WeakPolarHBondContact CB-O 3.46Å; K519-N522 PolarHBondContact N-O 2.9Å; K519-N522 PolarHBondContact O-N 3.12Å; N522-Y524 HydrophobicContact CB-CD2 4.41Å; N522-Y524 HydrophobicContact CB-CE1 4.4Å; N522-Y524 HydrophobicContact CB-CE2 3.5Å; N522-Y524 WeakPolarHBondContact CB-OH 3.39Å; N522-Y524 PolarHBondContact ND2-OH 3.36Å; N522-F541 CarbonylContact C-O 3.59Å; N522-F541 VanDerWaalsContact CA-O 3.27Å; N522-F541 WeakPolarHBondContact CA-O 3.36Å; N522-R542 WeakPolarHBondContact OD1-CG 3.4Å
523	F	96.8	Very high	89.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.4	175.2	170.8	-103.4	0	0	0	109	I489 I516 L525 G540 F541 L543 L552 W553 A556	I489-F523 HydrophobicContact CD1-CD1 4.43Å; I516-F523 HydrophobicContact CG2-CE2 3.5Å; I516-F523 HydrophobicContact CG2-CZ 3.91Å; F523-L525 HydrophobicContact CE1-CD1 4.26Å; F523-L525 HydrophobicContact CE1-CD2 3.88Å; F523-L525 HydrophobicContact CE1-CG 3.85Å; F523-L525 HydrophobicContact CZ-CD2 3.66Å; F523-L525 HydrophobicContact CZ-CG 4.17Å; F523-G540 WeakPolarHBondContact O-CA 3.39Å; F523-F541 HydrophobicContact CD1-CD2 4.17Å; F523-F541 PolarHBondContact N-O 3.06Å; F523-F541 PolarHBondContact O-N 3.15Å; F523-L543 HydrophobicContact CB-CD1 3.79Å; F523-L552 HydrophobicContact CB-CD2 4.06Å; F523-L552 HydrophobicContact CD1-CD2 3.51Å; F523-L552 HydrophobicContact CD1-CG 4.19Å; F523-L552 HydrophobicContact CD2-CD2 4.1Å; F523-L552 HydrophobicContact CD2-CG 4.08Å; F523-L552 HydrophobicContact CE1-CD2 3.88Å; F523-L552 HydrophobicContact CE1-CG 4.18Å; F523-L552 HydrophobicContact CE2-CD2 4.41Å; F523-L552 HydrophobicContact CE2-CG 4.07Å; F523-L552 HydrophobicContact CG-CD2 3.63Å; F523-L552 HydrophobicContact CG-CG 4.13Å; F523-L552 HydrophobicContact CZ-CD2 4.31Å; F523-L552 HydrophobicContact CZ-CG 4.11Å; F523-W553 HydrophobicContact CD2-CB 4.15Å; F523-W553 HydrophobicContact CE2-CB 4.27Å; F523-A556 HydrophobicContact CE2-CB 4.31Å; F523-A556 HydrophobicContact CZ-CB 4.07Å
524	Y	96.6	Very high	87.8	Confident	71 Å²	71	61.9 Å²	61.9	28%	0.278	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.8	-172.2	-59.5	-81.3	0	0	0	112	S517 K519 N522 I538 V539	S517-Y524 PolarHBondContact N-O 3.17Å; S517-Y524 PolarHBondContact O-N 3.2Å; K519-Y524 HydrophobicContact CB-CE2 4.28Å; N522-Y524 HydrophobicContact CB-CD2 4.41Å; N522-Y524 HydrophobicContact CB-CE1 4.4Å; N522-Y524 HydrophobicContact CB-CE2 3.5Å; N522-Y524 WeakPolarHBondContact CB-OH 3.39Å; N522-Y524 PolarHBondContact ND2-OH 3.36Å; Y524-I538 HydrophobicContact CD1-CG2 4.35Å; Y524-V539 WeakPolarHBondContact CA-O 3.29Å
525	L	95.4	Very high	86.9	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.9	171.3	-62.9	177.7	0	0	0	109.3	V496 F508 V513 I516 F523 I527 I538 V539	V496-L525 HydrophobicContact CB-CD1 4.08Å; V496-L525 HydrophobicContact CG1-CD1 4.13Å; V496-L525 HydrophobicContact CG2-CD1 4.17Å; V496-L525 HydrophobicContact CG2-CD2 4.48Å; F508-L525 HydrophobicContact CB-CD1 4.26Å; F508-L525 HydrophobicContact CD2-CD1 3.64Å; F508-L525 HydrophobicContact CE2-CD1 4.3Å; F508-L525 HydrophobicContact CG-CD1 4.07Å; V513-L525 HydrophobicContact CG1-CD2 4.06Å; I516-L525 HydrophobicContact CB-CD2 4.49Å; I516-L525 HydrophobicContact CG1-CD2 3.95Å; I516-L525 HydrophobicContact CG2-CD2 4.24Å; F523-L525 HydrophobicContact CE1-CD1 4.26Å; F523-L525 HydrophobicContact CE1-CD2 3.88Å; F523-L525 HydrophobicContact CE1-CG 3.85Å; F523-L525 HydrophobicContact CZ-CD2 3.66Å; F523-L525 HydrophobicContact CZ-CG 4.17Å; L525-I527 HydrophobicContact CB-CD1 3.89Å; L525-I527 HydrophobicContact CB-CG1 4.49Å; L525-I538 WeakPolarHBondContact O-CA 3.38Å; L525-V539 PolarHBondContact N-O 3.27Å; L525-V539 PolarHBondContact O-N 3.07Å
526	K	94	Very high	86.3	Confident	55 Å²	55	65.8 Å²	65.8	24%	0.239	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	123.9	164.3	-164.8	-178.1	-163.5	-156.7	0	108.7	L514 R515 E536 A537 I538	L514-K526 HydrophobicContact CB-CB 4.37Å; L514-K526 HydrophobicContact CB-CG 4.45Å; L514-K526 PolarHBondContact N-O 2.93Å; R515-K526 HydrophobicContact CB-CB 3.9Å; R515-K526 PolarHBondContact O-N 2.88Å; K526-E536 VanDerWaalsContact CE-CD 3.43Å; K526-E536 VanDerWaalsContact CE-OE1 3.31Å; K526-E536 WeakPolarHBondContact CE-OE1 3.49Å; K526-E536 WeakPolarHBondContact CE-OE2 3.36Å; K526-E536 IonicContact NZ-OE1 3.65Å; K526-E536 PolarHBondContact NZ-OE1 3.16Å; K526-E536 IonicContact NZ-OE2 3.56Å; K526-E536 PolarHBondContact NZ-OE2 3.46Å; K526-A537 WeakPolarHBondContact CA-O 3.43Å; K526-I538 HydrophobicContact CB-CG1 4.44Å; K526-I538 HydrophobicContact CG-CG1 4.03Å
527	I	93	Very high	85.8	Confident	6 Å²	6	66.8 Å²	66.8	3%	0.031	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	146.1	-175.8	-53.4	-57.7	0	0	0	109.8	F508 K512 V513 L525 A537 V539	F508-I527 HydrophobicContact CB-CD1 3.92Å; F508-I527 HydrophobicContact CD1-CD1 3.53Å; F508-I527 HydrophobicContact CD1-CG1 3.78Å; F508-I527 HydrophobicContact CE1-CD1 4.3Å; F508-I527 HydrophobicContact CE1-CG1 4.1Å; F508-I527 HydrophobicContact CG-CD1 3.83Å; K512-I527 HydrophobicContact CB-CG2 4.19Å; K512-I527 CarbonylContact O-C 3.38Å; K512-I527 WeakPolarHBondContact O-CA 3.45Å; V513-I527 HydrophobicContact CG2-CD1 4.17Å; L525-I527 HydrophobicContact CB-CD1 3.89Å; L525-I527 HydrophobicContact CB-CG1 4.49Å; I527-A537 HydrophobicContact CB-CB 4.47Å; I527-A537 PolarHBondContact N-O 3.3Å; I527-V539 HydrophobicContact CG1-CG2 4.2Å
528	R	88.2	Confident	85.6	Confident	97 Å²	97	71.5 Å²	71.5	37%	0.366	36%	0.355	S	S	.	.			trans	-73.1	132.3	174.7	-179.5	173.8	-66.9	173.2	2.1	109.6	K512 L514 E894	K512-R528 WeakPolarHBondContact O-CB 3.43Å; K512-R528 PolarHBondContact O-N 2.94Å; L514-R528 HydrophobicContact CD1-CB 4.13Å; L514-R528 HydrophobicContact CD2-CB 4.12Å; L514-R528 HydrophobicContact CG-CB 4.02Å; R528-E894 IonicContact CZ-OE2 3.06Å; R528-E894 IonicContact NH1-OE2 2.73Å; R528-E894 PolarHBondContact NH1-OE2 3.39Å; R528-E894 IonicContact NH2-OE2 3.74Å; R528-E894 PolarHBondContact NH2-OE2 3.43Å
529	P	83.2	Confident	85.4	Confident	49 Å²	49	71 Å²	71	32%	0.318	36%	0.355	S	S	.	.			trans	-58.1	138.2	173.4	22.5	-32.9	0	0	0	111.5	E533 E536	P529-E533 WeakPolarHBondContact CB-O 3.23Å; P529-E536 HydrophobicContact CG-CG 4.41Å
530	D	75.5	Confident	85.4	Confident	50 Å²	50	68.1 Å²	68.1	27%	0.267	35%	0.346	S	S	.	.			trans	-92.7	178.4	167.1	-71.8	-55	0	0	0	110.7	Y129 K512 S532 E533	Y129-D530 PolarHBondContact OH-OD2 3.49Å; K512-D530 WeakPolarHBondContact CE-OD1 3.35Å; K512-D530 IonicContact NZ-OD1 3.25Å; K512-D530 PolarHBondContact NZ-OD1 2.98Å; K512-D530 IonicContact NZ-OD2 3.86Å; K512-D530 PolarHBondContact NZ-OD2 2.78Å; D530-S532 PolarHBondContact O-N 2.86Å; D530-S532 VanDerWaalsContact O-N 3.15Å; D530-E533 PolarHBondContact O-N 3.02Å
531	Y	69.7	Low	85.5	Confident	254 Å²	254	60.9 Å²	60.9	100%	0.996	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.2	176.3	-64.7	-76.4	0	0	0	114.5
532	S	67.8	Low	85.5	Confident	84 Å²	84	63.8 Å²	63.8	59%	0.587	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-28.8	176.5	45.6	0	0	0	0	114	D530	D530-S532 PolarHBondContact O-N 2.86Å; D530-S532 VanDerWaalsContact O-N 3.15Å
533	E	65.7	Low	85.4	Confident	31 Å²	31	61.8 Å²	61.8	15%	0.145	31%	0.311	C	S	.	.			trans	-120.4	103	-174.1	-68.8	-167.1	131.6	0	0	110.5	S125 P529 D530 V535	S125-E533 WeakPolarHBondContact CB-OE1 3.39Å; S125-E533 PolarHBondContact OG-OE1 3.27Å; P529-E533 WeakPolarHBondContact CB-O 3.23Å; D530-E533 PolarHBondContact O-N 3.02Å; E533-V535 PolarHBondContact O-N 2.89Å
534	P	65.6	Low	85.2	Confident	126 Å²	126	68.7 Å²	68.7	82%	0.818	35%	0.348	S	S	*	.			trans	-75.5	10.2	-174	30.1	-35.6	0	0	0	115
535	V	72.7	Confident	84.9	Confident	106 Å²	106	67 Å²	67	64%	0.642	34%	0.343	S	S	*	.	S	Bend	trans	-131.2	142.6	-172.3	-176.7	0	0	0	0	110.3	E533 A537	E533-V535 PolarHBondContact O-N 2.89Å; V535-A537 PolarHBondContact O-N 3.5Å; V535-A537 VanDerWaalsContact O-N 3.11Å
536	E	80.6	Confident	84.8	Confident	94 Å²	94	69.9 Å²	69.9	44%	0.439	36%	0.362	S	S	.	.			trans	-69.6	104.2	175.8	-57.3	174.2	98.2	0	0	111.3	L514 K526 P529	L514-E536 HydrophobicContact CD1-CG 4.46Å; L514-E536 WeakPolarHBondContact CD1-OE1 3.42Å; K526-E536 VanDerWaalsContact CE-CD 3.43Å; K526-E536 VanDerWaalsContact CE-OE1 3.31Å; K526-E536 WeakPolarHBondContact CE-OE1 3.49Å; K526-E536 WeakPolarHBondContact CE-OE2 3.36Å; K526-E536 IonicContact NZ-OE1 3.65Å; K526-E536 PolarHBondContact NZ-OE1 3.16Å; K526-E536 IonicContact NZ-OE2 3.56Å; K526-E536 PolarHBondContact NZ-OE2 3.46Å; P529-E536 HydrophobicContact CG-CG 4.41Å
537	A	85.9	Confident	84.6	Confident	21 Å²	21	71.5 Å²	71.5	17%	0.174	37%	0.37	C	S	.	.			trans	-65.5	146.7	176.8	0	0	0	0	0	112.5	K526 I527 V535	K526-A537 WeakPolarHBondContact CA-O 3.43Å; I527-A537 HydrophobicContact CB-CB 4.47Å; I527-A537 PolarHBondContact N-O 3.3Å; V535-A537 PolarHBondContact O-N 3.5Å; V535-A537 VanDerWaalsContact O-N 3.11Å
538	I	91.2	Very high	84.6	Confident	105 Å²	105	71.7 Å²	71.7	54%	0.538	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	109.6	169.8	-61.8	174.3	0	0	0	107.9	Y524 L525 K526	Y524-I538 HydrophobicContact CD1-CG2 4.35Å; L525-I538 WeakPolarHBondContact O-CA 3.38Å; K526-I538 HydrophobicContact CB-CG1 4.44Å; K526-I538 HydrophobicContact CG-CG1 4.03Å
539	V	92	Very high	84.9	Confident	17 Å²	17	67 Å²	67	10%	0.103	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	133.9	178.2	-168	0	0	0	0	108.6	F508 Y524 L525 I527 F541	F508-V539 HydrophobicContact CE1-CG2 3.98Å; F508-V539 HydrophobicContact CE2-CG1 4.43Å; F508-V539 HydrophobicContact CZ-CB 4.27Å; F508-V539 HydrophobicContact CZ-CG1 4.06Å; F508-V539 HydrophobicContact CZ-CG2 3.86Å; Y524-V539 WeakPolarHBondContact CA-O 3.29Å; L525-V539 PolarHBondContact N-O 3.27Å; L525-V539 PolarHBondContact O-N 3.07Å; I527-V539 HydrophobicContact CG1-CG2 4.2Å; V539-F541 HydrophobicContact CB-CE2 4.43Å; V539-F541 HydrophobicContact CG1-CE1 4.02Å; V539-F541 HydrophobicContact CG1-CE2 3.68Å; V539-F541 HydrophobicContact CG1-CZ 3.37Å
540	G	93.8	Very high	85.4	Confident	14 Å²	14	66.5 Å²	66.5	14%	0.144	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	128.2	-171.9	0	0	0	0	0	113.3	F523	F523-G540 WeakPolarHBondContact O-CA 3.39Å
541	F	96	Very high	86.3	Confident	5 Å²	5	65 Å²	65	2%	0.022	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147.3	-176.3	-54	-73.9	0	0	0	111.2	I487 I489 I498 F508 N522 F523 V539	I487-F541 HydrophobicContact CD1-CD1 3.49Å; I487-F541 VanDerWaalsContact CD1-CD1 3.49Å; I487-F541 HydrophobicContact CD1-CE1 3.76Å; I487-F541 HydrophobicContact CD1-CG 4.43Å; I489-F541 HydrophobicContact CD1-CB 3.61Å; I489-F541 HydrophobicContact CD1-CD1 4.35Å; I489-F541 HydrophobicContact CD1-CD2 3.73Å; I489-F541 HydrophobicContact CD1-CE2 4.46Å; I489-F541 HydrophobicContact CD1-CG 3.64Å; I498-F541 HydrophobicContact CD1-CE1 4.08Å; I498-F541 HydrophobicContact CD1-CE2 3.81Å; I498-F541 HydrophobicContact CD1-CZ 3.46Å; I498-F541 VanDerWaalsContact CD1-CZ 3.46Å; I498-F541 HydrophobicContact CG1-CZ 3.96Å; F508-F541 HydrophobicContact CE2-CE2 4.37Å; F508-F541 HydrophobicContact CE2-CZ 4.14Å; N522-F541 CarbonylContact C-O 3.59Å; N522-F541 VanDerWaalsContact CA-O 3.27Å; N522-F541 WeakPolarHBondContact CA-O 3.36Å; F523-F541 HydrophobicContact CD1-CD2 4.17Å; F523-F541 PolarHBondContact N-O 3.06Å; F523-F541 PolarHBondContact O-N 3.15Å; V539-F541 HydrophobicContact CB-CE2 4.43Å; V539-F541 HydrophobicContact CG1-CE1 4.02Å; V539-F541 HydrophobicContact CG1-CE2 3.68Å; V539-F541 HydrophobicContact CG1-CZ 3.37Å
542	R	96.1	Very high	87.5	Confident	108 Å²	108	52.9 Å²	52.9	41%	0.408	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.9	-179.5	-172.7	-175.9	-53.2	141.4	14.5	111.2	A479 K480 N484 N521 N522	A479-R542 CarbonylContact C-O 3.59Å; A479-R542 WeakPolarHBondContact CA-O 3.43Å; K480-R542 PolarHBondContact N-O 3.44Å; K480-R542 PolarHBondContact O-N 3.28Å; N484-R542 PolarHBondContact OD1-NH1 3.22Å; N521-R542 HydrophobicContact CB-CG 4.29Å; N522-R542 WeakPolarHBondContact OD1-CG 3.4Å
543	L	94.4	Very high	88.8	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.021	26%	0.264	C	S	.	.			trans	-100.7	162.1	174.2	-67.4	89.6	0	0	0	111	H477 A479 N521 F523 N545 L548 A549 L552	H477-L543 HydrophobicContact CB-CD2 4.38Å; A479-L543 HydrophobicContact CB-CD1 4.45Å; A479-L543 HydrophobicContact CB-CG 4.06Å; N521-L543 WeakPolarHBondContact CB-O 3.49Å; N521-L543 PolarHBondContact ND2-O 3.3Å; N521-L543 PolarHBondContact O-N 2.89Å; F523-L543 HydrophobicContact CB-CD1 3.79Å; L543-N545 VanDerWaalsContact C-N 3.26Å; L543-N545 PolarHBondContact O-N 2.96Å; L543-L548 HydrophobicContact CB-CB 4.34Å; L543-L548 HydrophobicContact CD2-CB 4.1Å; L543-A549 HydrophobicContact CB-CB 4.43Å; L543-A549 HydrophobicContact CD1-CB 4.36Å; L543-L552 HydrophobicContact CD1-CD2 3.9Å; L543-L552 HydrophobicContact CD2-CB 4.12Å; L543-L552 HydrophobicContact CD2-CD2 3.94Å
544	L	91.9	Very high	90.2	Very high	146 Å²	146	50 Å²	50	76%	0.764	27%	0.268	S	S	*	.	S	Bend	trans	-59	-32.9	-175.3	179	63.6	0	0	0	113.5	N521 L548	N521-L544 VanDerWaalsContact ND2-C 3.3Å; N521-L544 PolarHBondContact ND2-O 2.86Å; L544-L548 HydrophobicContact CB-CD1 4.23Å
545	N	89.9	Confident	91.6	Very high	35 Å²	35	44.2 Å²	44.2	19%	0.187	23%	0.23	C	C	.	.	S	Bend	trans	-153.6	164.8	179.8	66.7	67.7	0	0	0	112.5	N521 L543 H547 L548 A549	N521-N545 WeakPolarHBondContact ND2-CA 3.27Å; N521-N545 PolarHBondContact ND2-N 3.12Å; L543-N545 VanDerWaalsContact C-N 3.26Å; L543-N545 PolarHBondContact O-N 2.96Å; N545-H547 VanDerWaalsContact C-N 3.27Å; N545-H547 PolarHBondContact O-N 3.18Å; N545-H547 WeakPolarHBondContact OD1-CA 3.49Å; N545-H547 WeakPolarHBondContact OD1-CB 3.43Å; N545-H547 PolarHBondContact OD1-N 2.95Å; N545-L548 WeakPolarHBondContact ND2-CD1 3.4Å; N545-L548 PolarHBondContact O-N 3.45Å; N545-L548 PolarHBondContact OD1-N 2.94Å; N545-A549 PolarHBondContact O-N 3.02Å; N545-A549 VanDerWaalsContact O-N 3.15Å
546	P	92.7	Very high	92.8	Very high	61 Å²	61	39.1 Å²	39.1	40%	0.396	20%	0.2	S	C	.	.	H	α-helix	trans	-65.9	-23.5	-177.8	-21.4	33.1	0	0	0	114.8	K520 N521 N550	K520-P546 WeakPolarHBondContact O-CA 3.46Å; N521-P546 VanDerWaalsContact OD1-CD 3.23Å; N521-P546 WeakPolarHBondContact OD1-CD 3.29Å; N521-P546 WeakPolarHBondContact OD1-CG 3.46Å; P546-N550 WeakPolarHBondContact O-CB 3.45Å; P546-N550 PolarHBondContact O-N 3.29Å
547	H	90.7	Very high	93.4	Very high	89 Å²	89	35.1 Å²	35.1	41%	0.412	18%	0.181	S	C	.	.	H	α-helix	trans	-73.2	-37.3	177.9	-63	-43.4	0	0	0	111.3	I333 R350 N545 R551	I333-H547 HydrophobicContact CD1-CB 3.93Å; R350-H547 PolarHBondContact NH2-NE2 3.16Å; N545-H547 VanDerWaalsContact C-N 3.27Å; N545-H547 PolarHBondContact O-N 3.18Å; N545-H547 WeakPolarHBondContact OD1-CA 3.49Å; N545-H547 WeakPolarHBondContact OD1-CB 3.43Å; N545-H547 PolarHBondContact OD1-N 2.95Å; H547-R551 WeakPolarHBondContact O-CB 3.42Å; H547-R551 PolarHBondContact O-N 2.9Å
548	L	92.4	Very high	93.9	Very high	9 Å²	9	35 Å²	35	5%	0.047	18%	0.177	C	C	.	.	H	α-helix	trans	-70.3	-39.1	171.8	-65.7	176.9	0	0	0	111.9	T335 L543 L544 N545 N550 R551 L552	T335-L548 HydrophobicContact CG2-CD2 4.03Å; L543-L548 HydrophobicContact CB-CB 4.34Å; L543-L548 HydrophobicContact CD2-CB 4.1Å; L544-L548 HydrophobicContact CB-CD1 4.23Å; N545-L548 WeakPolarHBondContact ND2-CD1 3.4Å; N545-L548 PolarHBondContact O-N 3.45Å; N545-L548 PolarHBondContact OD1-N 2.94Å; L548-N550 VanDerWaalsContact C-N 3.33Å; L548-N550 PolarHBondContact O-N 3.03Å; L548-R551 WeakPolarHBondContact O-CB 3.46Å; L548-R551 PolarHBondContact O-N 3.19Å; L548-L552 PolarHBondContact O-N 3.37Å
549	A	94.8	Very high	94.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.6	-41.8	173	0	0	0	0	0	112	Y518 L543 N545 W553	Y518-A549 HydrophobicContact CD2-CB 4.02Å; L543-A549 HydrophobicContact CB-CB 4.43Å; L543-A549 HydrophobicContact CD1-CB 4.36Å; N545-A549 PolarHBondContact O-N 3.02Å; N545-A549 VanDerWaalsContact O-N 3.15Å; A549-W553 VanDerWaalsContact O-CB 3.27Å; A549-W553 WeakPolarHBondContact O-CB 3.4Å; A549-W553 PolarHBondContact O-N 3.12Å
550	N	93.8	Very high	94.2	Very high	37 Å²	37	30 Å²	30	20%	0.198	15%	0.151	C	C	.	.	H	α-helix	trans	-65.5	-40.2	172.4	-176	-97.9	0	0	0	112.5	Y518 P546 L548 W553 K554	Y518-N550 HydrophobicContact CE1-CB 4.38Å; Y518-N550 WeakPolarHBondContact CE1-ND2 3.37Å; Y518-N550 HydrophobicContact CE2-CB 4.15Å; Y518-N550 PolarHBondContact OH-ND2 2.95Å; P546-N550 WeakPolarHBondContact O-CB 3.45Å; P546-N550 PolarHBondContact O-N 3.29Å; L548-N550 VanDerWaalsContact C-N 3.33Å; L548-N550 PolarHBondContact O-N 3.03Å; N550-W553 PolarHBondContact O-N 3.47Å; N550-K554 WeakPolarHBondContact O-CB 3.28Å; N550-K554 WeakPolarHBondContact O-CG 3.49Å; N550-K554 PolarHBondContact O-N 2.6Å
551	R	93.5	Very high	94.2	Very high	19 Å²	19	29.8 Å²	29.8	7%	0.072	15%	0.147	C	C	.	.	H	α-helix	trans	-58.3	-52.5	176.7	-173.9	-163.9	-175.1	-123.7	14.5	111.5	W336 F337 H477 H547 L548 K554 A555 N633	W336-R551 PolarHBondContact O-NE 2.81Å; W336-R551 PolarHBondContact O-NH2 3.45Å; F337-R551 HydrophobicContact CD1-CG 4.28Å; F337-R551 HydrophobicContact CE1-CB 4.11Å; F337-R551 HydrophobicContact CE1-CG 4.2Å; H477-R551 PolarHBondContact CE1-NH1 3.36Å; H477-R551 PolarHBondContact ND1-NH1 2.84Å; H547-R551 WeakPolarHBondContact O-CB 3.42Å; H547-R551 PolarHBondContact O-N 2.9Å; L548-R551 WeakPolarHBondContact O-CB 3.46Å; L548-R551 PolarHBondContact O-N 3.19Å; R551-K554 PolarHBondContact O-N 2.99Å; R551-A555 WeakPolarHBondContact O-CB 3.34Å; R551-A555 PolarHBondContact O-N 3.42Å; R551-N633 PolarHBondContact NH2-O 2.9Å
552	L	95.7	Very high	94.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.6	-44.9	176.3	172.3	61.8	0	0	0	111.4	H477 I489 V491 F523 L543 L548 A555 A556	H477-L552 HydrophobicContact CB-CB 4.42Å; H477-L552 HydrophobicContact CB-CD1 4.23Å; I489-L552 HydrophobicContact CB-CD1 4.42Å; I489-L552 HydrophobicContact CB-CD2 4.27Å; I489-L552 HydrophobicContact CD1-CD2 3.73Å; I489-L552 HydrophobicContact CG2-CD1 3.85Å; I489-L552 HydrophobicContact CG2-CD2 4.1Å; V491-L552 HydrophobicContact CG2-CD1 3.52Å; F523-L552 HydrophobicContact CB-CD2 4.06Å; F523-L552 HydrophobicContact CD1-CD2 3.51Å; F523-L552 HydrophobicContact CD1-CG 4.19Å; F523-L552 HydrophobicContact CD2-CD2 4.1Å; F523-L552 HydrophobicContact CD2-CG 4.08Å; F523-L552 HydrophobicContact CE1-CD2 3.88Å; F523-L552 HydrophobicContact CE1-CG 4.18Å; F523-L552 HydrophobicContact CE2-CD2 4.41Å; F523-L552 HydrophobicContact CE2-CG 4.07Å; F523-L552 HydrophobicContact CG-CD2 3.63Å; F523-L552 HydrophobicContact CG-CG 4.13Å; F523-L552 HydrophobicContact CZ-CD2 4.31Å; F523-L552 HydrophobicContact CZ-CG 4.11Å; L543-L552 HydrophobicContact CD1-CD2 3.9Å; L543-L552 HydrophobicContact CD2-CB 4.12Å; L543-L552 HydrophobicContact CD2-CD2 3.94Å; L548-L552 PolarHBondContact O-N 3.37Å; L552-A555 PolarHBondContact O-N 2.97Å; L552-A556 WeakPolarHBondContact O-CB 3.42Å; L552-A556 PolarHBondContact O-N 3.44Å
553	W	96.3	Very high	94.1	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.015	13%	0.128	C	C	.	.	H	α-helix	trans	-61.7	-45.3	178.3	176.1	87	0	0	0	112.7	I516 Y518 F523 A549 N550 A556 V557 F585 Q888 V890	I516-W553 PolarHBondContact O-NE1 3.34Å; Y518-W553 HydrophobicContact CD1-CB 3.71Å; Y518-W553 AromaticContact CD1-CD1 3.77Å; Y518-W553 AromaticContact CD1-CD2 3.59Å; Y518-W553 HydrophobicContact CD1-CD2 3.59Å; Y518-W553 HydrophobicContact CD1-CE3 4.07Å; Y518-W553 AromaticContact CD1-CG 3.41Å; Y518-W553 HydrophobicContact CD1-CG 3.41Å; Y518-W553 VanDerWaalsContact CD1-CG 3.41Å; Y518-W553 HydrophobicContact CE1-CB 4.44Å; Y518-W553 AromaticContact CE1-CD2 3.9Å; Y518-W553 HydrophobicContact CE1-CD2 3.9Å; Y518-W553 AromaticContact CE1-CE3 3.89Å; Y518-W553 HydrophobicContact CE1-CE3 3.89Å; Y518-W553 HydrophobicContact CE1-CG 4.16Å; Y518-W553 HydrophobicContact CE1-CZ3 4.41Å; Y518-W553 HydrophobicContact CG-CB 4.13Å; Y518-W553 HydrophobicContact CG-CG 4.2Å; F523-W553 HydrophobicContact CD2-CB 4.15Å; F523-W553 HydrophobicContact CE2-CB 4.27Å; A549-W553 VanDerWaalsContact O-CB 3.27Å; A549-W553 WeakPolarHBondContact O-CB 3.4Å; A549-W553 PolarHBondContact O-N 3.12Å; N550-W553 PolarHBondContact O-N 3.47Å; W553-A556 PolarHBondContact O-N 3.3Å; W553-V557 HydrophobicContact CD2-CG2 4.29Å; W553-V557 HydrophobicContact CZ2-CG2 4.33Å; W553-V557 WeakPolarHBondContact O-CB 3.26Å; W553-V557 VanDerWaalsContact O-CG2 3.29Å; W553-V557 WeakPolarHBondContact O-CG2 3.37Å; W553-V557 PolarHBondContact O-N 3.36Å; W553-F585 HydrophobicContact CH2-CB 4Å; W553-F585 HydrophobicContact CH2-CD1 4.31Å; W553-F585 HydrophobicContact CZ3-CB 3.86Å; W553-F585 AromaticContact CZ3-CD1 3.84Å; W553-F585 HydrophobicContact CZ3-CD1 3.84Å; W553-F585 HydrophobicContact CZ3-CG 4.17Å; W553-Q888 HydrophobicContact CH2-CB 4.22Å; W553-Q888 HydrophobicContact CZ2-CB 3.98Å; W553-V890 HydrophobicContact CZ2-CG2 3.77Å
554	K	94.6	Very high	94	Very high	50 Å²	50	28.3 Å²	28.3	22%	0.217	14%	0.141	C	C	.	.	H	α-helix	trans	-58	-52.2	173.7	-77.2	-163.5	172.9	-167.6	0	110.8	D340 N550 R551 A556 V557 E558 F585	D340-K554 IonicContact OD2-NZ 2.75Å; D340-K554 PolarHBondContact OD2-NZ 2.77Å; N550-K554 WeakPolarHBondContact O-CB 3.28Å; N550-K554 WeakPolarHBondContact O-CG 3.49Å; N550-K554 PolarHBondContact O-N 2.6Å; R551-K554 PolarHBondContact O-N 2.99Å; K554-A556 VanDerWaalsContact C-N 3.34Å; K554-A556 PolarHBondContact O-N 2.97Å; K554-V557 PolarHBondContact O-N 3.06Å; K554-E558 WeakPolarHBondContact O-CB 3.21Å; K554-E558 WeakPolarHBondContact O-CG 3.07Å; K554-E558 PolarHBondContact O-N 2.89Å; K554-F585 HydrophobicContact CB-CD1 4.34Å; K554-F585 HydrophobicContact CB-CE1 3.66Å; K554-F585 HydrophobicContact CB-CZ 3.88Å; K554-F585 HydrophobicContact CD-CD1 4.36Å; K554-F585 HydrophobicContact CD-CD2 4.08Å; K554-F585 HydrophobicContact CD-CE1 4Å; K554-F585 HydrophobicContact CD-CE2 3.7Å; K554-F585 HydrophobicContact CD-CG 4.38Å; K554-F585 HydrophobicContact CD-CZ 3.65Å; K554-F585 HydrophobicContact CG-CD1 3.79Å; K554-F585 HydrophobicContact CG-CD2 4.39Å; K554-F585 HydrophobicContact CG-CE1 3.53Å; K554-F585 HydrophobicContact CG-CE2 4.17Å; K554-F585 HydrophobicContact CG-CG 4.2Å; K554-F585 HydrophobicContact CG-CZ 3.73Å
555	A	95.1	Very high	93.9	Very high	4 Å²	4	22.9 Å²	22.9	3%	0.033	11%	0.113	C	C	.	.	H	α-helix	trans	-57.1	-45.5	-179.2	0	0	0	0	0	112.2	R551 L552 E558 H559	R551-A555 WeakPolarHBondContact O-CB 3.34Å; R551-A555 PolarHBondContact O-N 3.42Å; L552-A555 PolarHBondContact O-N 2.97Å; A555-E558 PolarHBondContact O-N 2.83Å; A555-H559 WeakPolarHBondContact O-CB 3.3Å; A555-H559 PolarHBondContact O-N 2.92Å; A555-H559 PolarHBondContact O-ND1 2.95Å
556	A	96.8	Very high	93.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.1	-39.7	179.5	0	0	0	0	0	113.1	V491 W510 I516 F523 L552 W553 K554 H560	V491-A556 HydrophobicContact CG1-CB 4.48Å; V491-A556 HydrophobicContact CG2-CB 4.31Å; W510-A556 HydrophobicContact CH2-CB 4.25Å; W510-A556 WeakPolarHBondContact CH2-O 3.31Å; I516-A556 HydrophobicContact CD1-CB 4.18Å; I516-A556 HydrophobicContact CG2-CB 4.22Å; F523-A556 HydrophobicContact CE2-CB 4.31Å; F523-A556 HydrophobicContact CZ-CB 4.07Å; L552-A556 WeakPolarHBondContact O-CB 3.42Å; L552-A556 PolarHBondContact O-N 3.44Å; W553-A556 PolarHBondContact O-N 3.3Å; K554-A556 VanDerWaalsContact C-N 3.34Å; K554-A556 PolarHBondContact O-N 2.97Å; A556-H560 WeakPolarHBondContact O-CB 3.42Å; A556-H560 PolarHBondContact O-N 3.04Å
557	V	94.7	Very high	93.3	Very high	9 Å²	9	28.7 Å²	28.7	6%	0.055	13%	0.132	C	C	.	.	H	α-helix	trans	-64.9	-42.1	174.4	167.3	0	0	0	0	111.3	I516 W553 K554 A561 V890	I516-V557 HydrophobicContact CB-CG2 4.24Å; I516-V557 HydrophobicContact CG2-CG2 4.18Å; W553-V557 HydrophobicContact CD2-CG2 4.29Å; W553-V557 HydrophobicContact CZ2-CG2 4.33Å; W553-V557 WeakPolarHBondContact O-CB 3.26Å; W553-V557 VanDerWaalsContact O-CG2 3.29Å; W553-V557 WeakPolarHBondContact O-CG2 3.37Å; W553-V557 PolarHBondContact O-N 3.36Å; K554-V557 PolarHBondContact O-N 3.06Å; V557-A561 VanDerWaalsContact O-CB 3.26Å; V557-A561 WeakPolarHBondContact O-CB 3.28Å; V557-A561 PolarHBondContact O-N 3.34Å; V557-V890 HydrophobicContact CG1-CG2 4.02Å; V557-V890 HydrophobicContact CG2-CB 4.29Å; V557-V890 HydrophobicContact CG2-CG2 3.79Å
558	E	94.7	Very high	92.7	Very high	18 Å²	18	26 Å²	26	8%	0.084	12%	0.122	C	C	.	.	H	α-helix	trans	-67.4	-46.5	177.9	-73.6	-175.6	126.7	0	0	112.6	K362 F363 K554 A555 H560 A561 F562 F585 Y587	K362-E558 WeakPolarHBondContact CE-OE2 3.38Å; K362-E558 IonicContact NZ-OE1 2.72Å; K362-E558 PolarHBondContact NZ-OE1 3.21Å; K362-E558 IonicContact NZ-OE2 2.78Å; K362-E558 PolarHBondContact NZ-OE2 2.95Å; F363-E558 HydrophobicContact CE1-CB 4.11Å; F363-E558 HydrophobicContact CZ-CB 4.04Å; K554-E558 WeakPolarHBondContact O-CB 3.21Å; K554-E558 WeakPolarHBondContact O-CG 3.07Å; K554-E558 PolarHBondContact O-N 2.89Å; A555-E558 PolarHBondContact O-N 2.83Å; E558-H560 PolarHBondContact O-N 3.49Å; E558-A561 PolarHBondContact O-N 3.27Å; E558-F562 WeakPolarHBondContact O-CB 3.33Å; E558-F562 PolarHBondContact O-N 3.5Å; E558-F585 HydrophobicContact CG-CE1 3.78Å; E558-F585 HydrophobicContact CG-CZ 3.74Å; E558-Y587 HydrophobicContact CG-CD2 4.47Å
559	H	96.1	Very high	91.7	Very high	7 Å²	7	29.3 Å²	29.3	3%	0.032	15%	0.145	C	C	.	.	H	α-helix	trans	-62.4	-44.2	177.3	-80	72.6	0	0	0	111.6	F363 V491 W510 A555 A561 F562 F563	F363-H559 AromaticContact CD1-CD2 3.97Å; F363-H559 AromaticContact CD1-CE1 3.88Å; F363-H559 AromaticContact CD1-NE2 3.85Å; F363-H559 AromaticContact CE1-ND1 3.81Å; V491-H559 HydrophobicContact CG1-CB 3.8Å; W510-H559 HydrophobicContact CH2-CB 4.21Å; W510-H559 HydrophobicContact CZ2-CB 3.58Å; A555-H559 WeakPolarHBondContact O-CB 3.3Å; A555-H559 PolarHBondContact O-N 2.92Å; A555-H559 PolarHBondContact O-ND1 2.95Å; H559-A561 VanDerWaalsContact C-N 3.34Å; H559-A561 PolarHBondContact O-N 3.03Å; H559-F562 PolarHBondContact O-N 2.84Å; H559-F563 HydrophobicContact CB-CD2 4.48Å; H559-F563 AromaticContact CD2-CE2 3.92Å; H559-F563 WeakPolarHBondContact O-CB 3.47Å; H559-F563 VanDerWaalsContact O-CD2 3.28Å; H559-F563 WeakPolarHBondContact O-CD2 3.42Å; H559-F563 PolarHBondContact O-N 3.18Å
560	H	94.6	Very high	90.1	Very high	12 Å²	12	33 Å²	33	6%	0.056	18%	0.175	C	C	.	.	H	α-helix	trans	-58.7	-47.5	172.8	178.3	-79.4	0	0	0	111	W510 I516 A556 E558 F562 R564	W510-H560 HydrophobicContact CD2-CB 4.29Å; W510-H560 HydrophobicContact CE3-CB 3.88Å; W510-H560 AromaticContact CE3-CD2 3.91Å; W510-H560 HydrophobicContact CH2-CB 4.49Å; W510-H560 HydrophobicContact CZ3-CB 3.99Å; I516-H560 HydrophobicContact CD1-CB 4.33Å; A556-H560 WeakPolarHBondContact O-CB 3.42Å; A556-H560 PolarHBondContact O-N 3.04Å; E558-H560 PolarHBondContact O-N 3.49Å; H560-F562 PolarHBondContact O-N 2.9Å; H560-R564 VanDerWaalsContact O-CB 3.3Å; H560-R564 WeakPolarHBondContact O-CB 3.32Å; H560-R564 PolarHBondContact O-N 3.47Å
561	A	93.7	Very high	88.4	Confident	9 Å²	9	36.9 Å²	36.9	7%	0.074	20%	0.202	C	C	.	.	H	α-helix	trans	-61.6	-44.8	-178.6	0	0	0	0	0	112.7	V557 E558 H559 L565 Y587	V557-A561 VanDerWaalsContact O-CB 3.26Å; V557-A561 WeakPolarHBondContact O-CB 3.28Å; V557-A561 PolarHBondContact O-N 3.34Å; E558-A561 PolarHBondContact O-N 3.27Å; H559-A561 VanDerWaalsContact C-N 3.34Å; H559-A561 PolarHBondContact O-N 3.03Å; A561-L565 HydrophobicContact CB-CD1 3.97Å; A561-L565 WeakPolarHBondContact O-CB 3.4Å; A561-L565 PolarHBondContact O-N 2.87Å; A561-Y587 HydrophobicContact CB-CD1 3.98Å; A561-Y587 HydrophobicContact CB-CG 4.1Å
562	F	94.9	Very high	86.5	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-45	-179.6	-177	-106.4	0	0	0	112.9	D322 Y323 F363 E558 H559 H560 Y587 R590 F592	D322-F562 HydrophobicContact CB-CE2 4.19Å; Y323-F562 AromaticContact CD1-CE1 3.89Å; Y323-F562 HydrophobicContact CD1-CE1 3.89Å; Y323-F562 AromaticContact CD1-CZ 3.6Å; Y323-F562 HydrophobicContact CD1-CZ 3.6Å; Y323-F562 AromaticContact CE1-CE1 3.77Å; Y323-F562 HydrophobicContact CE1-CE1 3.77Å; Y323-F562 AromaticContact CE1-CZ 3.5Å; Y323-F562 HydrophobicContact CE1-CZ 3.5Å; Y323-F562 HydrophobicContact CG-CZ 4.35Å; F363-F562 HydrophobicContact CB-CD1 3.61Å; F363-F562 HydrophobicContact CB-CE1 3.54Å; F363-F562 HydrophobicContact CB-CG 4.36Å; F363-F562 HydrophobicContact CB-CZ 4.25Å; F363-F562 HydrophobicContact CD1-CB 4.27Å; F363-F562 HydrophobicContact CD1-CD1 4.15Å; F363-F562 HydrophobicContact CD1-CG 4.29Å; F363-F562 HydrophobicContact CD2-CB 4.07Å; F363-F562 AromaticContact CD2-CD1 3.63Å; F363-F562 HydrophobicContact CD2-CD1 3.63Å; F363-F562 AromaticContact CD2-CD2 3.64Å; F363-F562 HydrophobicContact CD2-CD2 3.64Å; F363-F562 AromaticContact CD2-CE1 3.89Å; F363-F562 HydrophobicContact CD2-CE1 3.89Å; F363-F562 AromaticContact CD2-CE2 3.91Å; F363-F562 HydrophobicContact CD2-CE2 3.91Å; F363-F562 AromaticContact CD2-CG 3.49Å; F363-F562 HydrophobicContact CD2-CG 3.49Å; F363-F562 VanDerWaalsContact CD2-CG 3.49Å; F363-F562 HydrophobicContact CD2-CZ 4.03Å; F363-F562 HydrophobicContact CE1-CB 4.07Å; F363-F562 HydrophobicContact CE1-CG 4.48Å; F363-F562 HydrophobicContact CE2-CB 3.88Å; F363-F562 HydrophobicContact CE2-CD1 4.31Å; F363-F562 AromaticContact CE2-CD2 3.76Å; F363-F562 HydrophobicContact CE2-CD2 3.76Å; F363-F562 HydrophobicContact CE2-CE2 4.37Å; F363-F562 AromaticContact CE2-CG 3.72Å; F363-F562 HydrophobicContact CE2-CG 3.72Å; F363-F562 HydrophobicContact CG-CB 4.27Å; F363-F562 AromaticContact CG-CD1 3.53Å; F363-F562 HydrophobicContact CG-CD1 3.53Å; F363-F562 HydrophobicContact CG-CD2 4.39Å; F363-F562 AromaticContact CG-CE1 3.9Å; F363-F562 HydrophobicContact CG-CE1 3.9Å; F363-F562 AromaticContact CG-CG 3.81Å; F363-F562 HydrophobicContact CG-CG 3.81Å; F363-F562 HydrophobicContact CG-CZ 4.47Å; F363-F562 HydrophobicContact CZ-CB 3.87Å; F363-F562 HydrophobicContact CZ-CG 4.21Å; E558-F562 WeakPolarHBondContact O-CB 3.33Å; E558-F562 PolarHBondContact O-N 3.5Å; H559-F562 PolarHBondContact O-N 2.84Å; H560-F562 PolarHBondContact O-N 2.9Å; F562-Y587 HydrophobicContact CB-CE1 4.27Å; F562-Y587 AromaticContact CD2-CE1 3.97Å; F562-Y587 HydrophobicContact CD2-CE1 3.97Å; F562-Y587 AromaticContact CD2-CZ 3.83Å; F562-Y587 WeakPolarHBondContact CD2-OH 3.42Å; F562-R590 VanDerWaalsContact CD2-O 3.31Å; F562-R590 WeakPolarHBondContact CD2-O 3.49Å; F562-R590 WeakPolarHBondContact CE2-O 3.27Å; F562-F592 HydrophobicContact CD1-CB 4.12Å; F562-F592 HydrophobicContact CE1-CB 3.82Å; F562-F592 HydrophobicContact CE1-CD2 4.46Å; F562-F592 HydrophobicContact CZ-CB 4.12Å; F562-F592 WeakPolarHBondContact O-CB 3.46Å; F562-F592 PolarHBondContact O-N 2.87Å
563	F	95.1	Very high	84.3	Confident	7 Å²	7	55 Å²	55	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-89.3	-28.9	-173.9	-69.5	-68	0	0	0	114.6	F363 Y364 F493 H559 F592 Y733	F363-F563 HydrophobicContact CB-CE2 4.16Å; F363-F563 HydrophobicContact CB-CZ 3.94Å; F363-F563 HydrophobicContact CD1-CE2 4.31Å; Y364-F563 WeakPolarHBondContact O-CZ 3.21Å; F493-F563 HydrophobicContact CB-CD1 4.18Å; F493-F563 HydrophobicContact CB-CD2 4.16Å; F493-F563 HydrophobicContact CB-CE1 3.78Å; F493-F563 HydrophobicContact CB-CE2 3.77Å; F493-F563 HydrophobicContact CB-CG 4.37Å; F493-F563 HydrophobicContact CB-CZ 3.56Å; H559-F563 HydrophobicContact CB-CD2 4.48Å; H559-F563 AromaticContact CD2-CE2 3.92Å; H559-F563 WeakPolarHBondContact O-CB 3.47Å; H559-F563 VanDerWaalsContact O-CD2 3.28Å; H559-F563 WeakPolarHBondContact O-CD2 3.42Å; H559-F563 PolarHBondContact O-N 3.18Å; F563-F592 HydrophobicContact CD1-CB 4.03Å; F563-F592 HydrophobicContact CD1-CD1 4.26Å; F563-F592 HydrophobicContact CD1-CD2 4.48Å; F563-F592 HydrophobicContact CD1-CG 4.01Å; F563-F592 HydrophobicContact CE1-CD2 4.37Å; F563-F592 HydrophobicContact CE1-CG 4.34Å; F563-Y733 WeakPolarHBondContact O-CE1 3.33Å
564	R	92.4	Very high	82	Confident	78 Å²	78	60.8 Å²	60.8	29%	0.294	31%	0.313	S	S	.	.	H	α-helix	trans	-101.2	-30.1	-175.9	-68.7	-68.6	-69	159.4	-2.7	115.6	W510 H560 E894	W510-R564 HydrophobicContact CB-CG 3.6Å; W510-R564 HydrophobicContact CG-CG 4.22Å; H560-R564 VanDerWaalsContact O-CB 3.3Å; H560-R564 WeakPolarHBondContact O-CB 3.32Å; H560-R564 PolarHBondContact O-N 3.47Å; R564-E894 IonicContact CZ-OE1 3.04Å; R564-E894 IonicContact NH2-OE1 3.86Å; R564-E894 PolarHBondContact NH2-OE1 3.21Å
565	L	89.3	Confident	79.7	Confident	33 Å²	33	65.6 Å²	65.6	17%	0.173	34%	0.34	C	S	.	.			trans	-80.8	145	-177.6	-55.7	179.1	0	0	0	110.2	A561 P569 T591	A561-L565 HydrophobicContact CB-CD1 3.97Å; A561-L565 WeakPolarHBondContact O-CB 3.4Å; A561-L565 PolarHBondContact O-N 2.87Å; L565-P569 HydrophobicContact CD1-CG 4.48Å; L565-T591 HydrophobicContact CB-CG2 4.3Å; L565-T591 VanDerWaalsContact O-CB 3.3Å; L565-T591 WeakPolarHBondContact O-CB 3.14Å; L565-T591 WeakPolarHBondContact O-CG2 3.2Å; L565-T591 PolarHBondContact O-OG1 3.14Å
566	K	87.1	Confident	77.5	Confident	82 Å²	82	71.3 Å²	71.3	36%	0.357	38%	0.381	S	S	.	.	S	Bend	trans	-73.3	-42.4	171	-69.2	-178.8	179.4	175.9	0	110.7	T591 F593 Q594	K566-T591 PolarHBondContact O-OG1 2.9Å; K566-F593 HydrophobicContact CB-CD1 3.78Å; K566-F593 HydrophobicContact CB-CE1 4.16Å; K566-F593 HydrophobicContact CB-CG 4.37Å; K566-F593 HydrophobicContact CD-CE1 4.25Å; K566-F593 HydrophobicContact CD-CZ 4.46Å; K566-F593 HydrophobicContact CG-CD1 3.85Å; K566-F593 HydrophobicContact CG-CE1 4.03Å; K566-F593 HydrophobicContact CG-CG 4.13Å; K566-F593 HydrophobicContact CG-CZ 4.46Å; K566-Q594 WeakPolarHBondContact O-CG 3.37Å
567	E	82.9	Confident	75.3	Confident	135 Å²	135	76.6 Å²	76.6	63%	0.631	41%	0.413	S	S	*	.	S	Bend	trans	-137.9	153.3	177	-56.8	-174.4	161	0	0	109.4
568	T	79	Confident	73	Confident	32 Å²	32	82.8 Å²	82.8	20%	0.196	45%	0.453	C	S	.	.			trans	-71.9	138.8	171.7	39.8	0	0	0	0	110.8	A570 Y587 G589 T591	T568-A570 PolarHBondContact O-N 3.48Å; T568-Y587 HydrophobicContact CG2-CD1 3.39Å; T568-Y587 HydrophobicContact CG2-CE1 3.81Å; T568-Y587 HydrophobicContact CG2-CG 4.31Å; T568-Y587 WeakPolarHBondContact CG2-O 3.34Å; T568-G589 WeakPolarHBondContact CG2-O 3.49Å; T568-G589 PolarHBondContact OG1-O 3.11Å; T568-T591 HydrophobicContact CG2-CG2 4.38Å
569	P	70.1	Confident	70.6	Confident	80 Å²	80	86.5 Å²	86.5	52%	0.519	48%	0.481	S	S	.	.			trans	-61.7	111.6	177.2	-22.3	33.4	0	0	0	110.3	L565	L565-P569 HydrophobicContact CD1-CG 4.48Å
570	A	61.2	Low	68.4	Low	76 Å²	76	94.4 Å²	94.4	63%	0.628	52%	0.523	S	S	*	.			trans	-47.2	137.1	-176.2	0	0	0	0	0	111.7	T568 K572	T568-A570 PolarHBondContact O-N 3.48Å; A570-K572 PolarHBondContact O-N 3.37Å
571	P	58.8	Low	65.8	Low	119 Å²	119	99 Å²	99	77%	0.773	56%	0.556	S	S	*	*			trans	-59.3	109.2	-175.9	23.4	-33.3	0	0	0	109.3	R573	P571-R573 PolarHBondContact O-N 2.89Å
572	K	54.1	Low	63.6	Low	176 Å²	176	104.9 Å²	104.9	77%	0.765	58%	0.58	S	S	*	*			trans	-61.8	104.4	-178.6	-70.4	-170.3	176.7	-172.9	0	108.2	A570	A570-K572 PolarHBondContact O-N 3.37Å
573	R	49.6	Very low	61.4	Low	224 Å²	224	110.4 Å²	110.4	85%	0.845	62%	0.619	S	S	*	*			trans	-45.3	124.8	169.9	-76.3	-173.5	-79.1	170.3	-6.3	107.7	P571 L575	P571-R573 PolarHBondContact O-N 2.89Å; R573-L575 PolarHBondContact O-N 2.75Å
574	P	47.4	Very low	59.9	Low	126 Å²	126	115.4 Å²	115.4	82%	0.818	64%	0.642	S	S	*	*			trans	-64.4	107.3	-175.7	24.6	-32.9	0	0	0	108.8
575	L	46.8	Very low	58.9	Low	150 Å²	150	113 Å²	113	79%	0.785	63%	0.634	S	S	*	*			trans	-59	143.8	165.9	-76	91	0	0	0	107.7	R573 T577	R573-L575 PolarHBondContact O-N 2.75Å; L575-T577 PolarHBondContact O-N 2.64Å
576	S	47.6	Very low	58.3	Low	125 Å²	125	116.7 Å²	116.7	87%	0.874	65%	0.646	S	S	*	*	S	Bend	trans	-71.9	59	-158.6	-177	0	0	0	0	115.3
577	T	52.4	Low	58.1	Low	110 Å²	110	113.8 Å²	113.8	68%	0.675	63%	0.632	S	S	*	*			trans	-123.6	114.7	171.6	52.7	0	0	0	0	109.4	L575 S579	L575-T577 PolarHBondContact O-N 2.64Å; T577-S579 PolarHBondContact O-N 3.04Å
578	P	44.5	Very low	58.2	Low	140 Å²	140	110.9 Å²	110.9	91%	0.909	62%	0.624	S	S	*	*			trans	-77.2	34.2	179.7	33.7	-36.7	0	0	0	112.6	L580	P578-L580 PolarHBondContact O-N 2.84Å
579	S	45.6	Very low	58.6	Low	96 Å²	96	110.2 Å²	110.2	67%	0.671	62%	0.623	S	S	*	*			trans	-82.4	100.7	-179.7	-171.5	0	0	0	0	110	T577 S581	T577-S579 PolarHBondContact O-N 3.04Å; S579-S581 PolarHBondContact O-N 3.03Å
580	L	48.5	Very low	59.5	Low	173 Å²	173	111 Å²	111	91%	0.906	62%	0.616	S	S	*	*			trans	14.4	32.9	157.5	-143.1	74	0	0	0	121	P578 K582	P578-L580 PolarHBondContact O-N 2.84Å; L580-K582 PolarHBondContact O-N 3.02Å
581	S	41.4	Very low	61	Low	108 Å²	108	107.4 Å²	107.4	76%	0.755	59%	0.586	S	S	*	*			trans	-74.2	89.8	-177.6	-165.7	0	0	0	0	109.8	S579 S583	S579-S581 PolarHBondContact O-N 3.03Å; S581-S583 PolarHBondContact O-N 3.18Å; S581-S583 VanDerWaalsContact O-N 3.12Å
582	K	48	Very low	62.6	Low	133 Å²	133	102 Å²	102	58%	0.578	55%	0.55	S	S	*	*			trans	-44.5	116.7	172.2	-133.3	171.7	-175.2	170.7	0	107.9	L580 Q584 D886	L580-K582 PolarHBondContact O-N 3.02Å; K582-Q584 PolarHBondContact O-N 2.71Å; K582-D886 IonicContact NZ-OD1 2.71Å; K582-D886 PolarHBondContact NZ-OD1 3.05Å
583	S	47.8	Very low	64.4	Low	116 Å²	116	96.7 Å²	96.7	81%	0.811	53%	0.527	S	S	*	.			trans	-55	108.4	-169.6	-170.9	0	0	0	0	110.6	S581 F585	S581-S583 PolarHBondContact O-N 3.18Å; S581-S583 VanDerWaalsContact O-N 3.12Å; S583-F585 PolarHBondContact O-N 3Å; S583-F585 VanDerWaalsContact O-N 3.11Å
584	Q	63.7	Low	66.4	Low	111 Å²	111	88.1 Å²	88.1	52%	0.519	50%	0.497	S	S	.	.			trans	-73.7	105.5	178.8	-74.3	-174.4	-22.3	0	0	108.3	K582 R586	K582-Q584 PolarHBondContact O-N 2.71Å; Q584-R586 WeakPolarHBondContact O-CD 3.44Å; Q584-R586 WeakPolarHBondContact O-CG 3.49Å; Q584-R586 PolarHBondContact O-N 2.78Å
585	F	70.8	Confident	68.5	Low	29 Å²	29	82.3 Å²	82.3	13%	0.127	46%	0.459	C	S	.	.			trans	-51.6	129	172.5	175	-96.9	0	0	0	110.7	W553 K554 E558 S583	W553-F585 HydrophobicContact CH2-CB 4Å; W553-F585 HydrophobicContact CH2-CD1 4.31Å; W553-F585 HydrophobicContact CZ3-CB 3.86Å; W553-F585 AromaticContact CZ3-CD1 3.84Å; W553-F585 HydrophobicContact CZ3-CD1 3.84Å; W553-F585 HydrophobicContact CZ3-CG 4.17Å; K554-F585 HydrophobicContact CB-CD1 4.34Å; K554-F585 HydrophobicContact CB-CE1 3.66Å; K554-F585 HydrophobicContact CB-CZ 3.88Å; K554-F585 HydrophobicContact CD-CD1 4.36Å; K554-F585 HydrophobicContact CD-CD2 4.08Å; K554-F585 HydrophobicContact CD-CE1 4Å; K554-F585 HydrophobicContact CD-CE2 3.7Å; K554-F585 HydrophobicContact CD-CG 4.38Å; K554-F585 HydrophobicContact CD-CZ 3.65Å; K554-F585 HydrophobicContact CG-CD1 3.79Å; K554-F585 HydrophobicContact CG-CD2 4.39Å; K554-F585 HydrophobicContact CG-CE1 3.53Å; K554-F585 HydrophobicContact CG-CE2 4.17Å; K554-F585 HydrophobicContact CG-CG 4.2Å; K554-F585 HydrophobicContact CG-CZ 3.73Å; E558-F585 HydrophobicContact CG-CE1 3.78Å; E558-F585 HydrophobicContact CG-CZ 3.74Å; S583-F585 PolarHBondContact O-N 3Å; S583-F585 VanDerWaalsContact O-N 3.11Å
586	R	77.8	Confident	70.5	Confident	110 Å²	110	77.6 Å²	77.6	42%	0.415	43%	0.431	S	S	.	.			trans	-146.8	145.1	-173.4	-73.4	160.4	-171.8	-123	-4.1	108.6	Q584	Q584-R586 WeakPolarHBondContact O-CD 3.44Å; Q584-R586 WeakPolarHBondContact O-CG 3.49Å; Q584-R586 PolarHBondContact O-N 2.78Å
587	Y	83.1	Confident	72.5	Confident	20 Å²	20	75.6 Å²	75.6	8%	0.078	41%	0.413	C	S	.	.			trans	-72.5	139	167.8	-177.8	-112.7	0	0	0	110.5	D322 F363 E558 A561 F562 T568 G589 R590	D322-Y587 WeakPolarHBondContact CB-OH 3.39Å; D322-Y587 PolarHBondContact OD1-OH 2.78Å; F363-Y587 AromaticContact CE2-CE2 3.76Å; F363-Y587 HydrophobicContact CE2-CE2 3.76Å; F363-Y587 HydrophobicContact CZ-CD2 4.33Å; F363-Y587 AromaticContact CZ-CE2 3.98Å; F363-Y587 HydrophobicContact CZ-CE2 3.98Å; E558-Y587 HydrophobicContact CG-CD2 4.47Å; A561-Y587 HydrophobicContact CB-CD1 3.98Å; A561-Y587 HydrophobicContact CB-CG 4.1Å; F562-Y587 HydrophobicContact CB-CE1 4.27Å; F562-Y587 AromaticContact CD2-CE1 3.97Å; F562-Y587 HydrophobicContact CD2-CE1 3.97Å; F562-Y587 AromaticContact CD2-CZ 3.83Å; F562-Y587 WeakPolarHBondContact CD2-OH 3.42Å; T568-Y587 HydrophobicContact CG2-CD1 3.39Å; T568-Y587 HydrophobicContact CG2-CE1 3.81Å; T568-Y587 HydrophobicContact CG2-CG 4.31Å; T568-Y587 WeakPolarHBondContact CG2-O 3.34Å; Y587-G589 WeakPolarHBondContact CE1-O 3.21Å; Y587-G589 WeakPolarHBondContact OH-CA 3.44Å; Y587-R590 WeakPolarHBondContact CE1-O 3.27Å; Y587-R590 PolarHBondContact OH-O 3.03Å
588	T	84.4	Confident	74.1	Confident	75 Å²	75	72.6 Å²	72.6	46%	0.46	40%	0.395	S	S	.	.			trans	-130.4	-3.3	-173.1	56.3	0	0	0	0	114.5
589	G	86.2	Confident	76	Confident	17 Å²	17	73.1 Å²	73.1	18%	0.175	39%	0.39	C	S	.	.	S	Bend	trans	-75.9	-177	175.3	0	0	0	0	0	112.8	D322 T568 Y587	D322-G589 WeakPolarHBondContact OD1-CA 3.31Å; T568-G589 WeakPolarHBondContact CG2-O 3.49Å; T568-G589 PolarHBondContact OG1-O 3.11Å; Y587-G589 WeakPolarHBondContact CE1-O 3.21Å; Y587-G589 WeakPolarHBondContact OH-CA 3.44Å
590	R	90.5	Very high	77.9	Confident	97 Å²	97	69.9 Å²	69.9	37%	0.366	37%	0.365	S	S	.	.			trans	-72.5	155.3	170.5	-57.6	172.9	-179.5	149.1	-7.1	110.4	D322 F562 Y587 Q594 Y595	D322-R590 VanDerWaalsContact CG-N 3.31Å; D322-R590 PolarHBondContact OD1-N 2.72Å; D322-R590 VanDerWaalsContact OD2-CB 3.28Å; D322-R590 WeakPolarHBondContact OD2-CB 3.49Å; D322-R590 PolarHBondContact OD2-N 3.06Å; D322-R590 VanDerWaalsContact OD2-N 3.15Å; F562-R590 VanDerWaalsContact CD2-O 3.31Å; F562-R590 WeakPolarHBondContact CD2-O 3.49Å; F562-R590 WeakPolarHBondContact CE2-O 3.27Å; Y587-R590 WeakPolarHBondContact CE1-O 3.27Å; Y587-R590 PolarHBondContact OH-O 3.03Å; R590-Q594 VanDerWaalsContact CA-OE1 3.27Å; R590-Q594 HydrophobicContact CB-CB 4.25Å; R590-Y595 HydrophobicContact CB-CD2 4.21Å; R590-Y595 HydrophobicContact CB-CE2 3.62Å; R590-Y595 HydrophobicContact CG-CE2 4.45Å; R590-Y595 PolarHBondContact NH1-OH 2.84Å
591	T	92.7	Very high	79.5	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	37%	0.365	C	S	.	.			trans	-88.7	162.6	177.8	68.6	0	0	0	0	111.7	L565 K566 T568 F593 Q594 Y595	L565-T591 HydrophobicContact CB-CG2 4.3Å; L565-T591 VanDerWaalsContact O-CB 3.3Å; L565-T591 WeakPolarHBondContact O-CB 3.14Å; L565-T591 WeakPolarHBondContact O-CG2 3.2Å; L565-T591 PolarHBondContact O-OG1 3.14Å; K566-T591 PolarHBondContact O-OG1 2.9Å; T568-T591 HydrophobicContact CG2-CG2 4.38Å; T591-F593 PolarHBondContact O-N 2.89Å; T591-F593 PolarHBondContact OG1-N 2.89Å; T591-Q594 PolarHBondContact O-N 2.86Å; T591-Q594 VanDerWaalsContact O-N 3.13Å; T591-Q594 WeakPolarHBondContact OG1-CG 3.39Å; T591-Q594 PolarHBondContact OG1-N 2.78Å; T591-Q594 PolarHBondContact OG1-OE1 2.83Å; T591-Y595 WeakPolarHBondContact O-CD2 3.34Å; T591-Y595 PolarHBondContact O-N 2.92Å; T591-Y595 VanDerWaalsContact O-N 3.17Å
592	F	92.1	Very high	81.8	Confident	5 Å²	5	67.7 Å²	67.7	2%	0.022	34%	0.341	C	S	.	.	H	α-helix	trans	-56	-35.9	168.5	177.9	-112.1	0	0	0	112.1	Y323 P365 P366 F562 F563 Y595 R596 Y733	Y323-F592 HydrophobicContact CE1-CD2 4.3Å; P365-F592 HydrophobicContact CB-CE2 4.48Å; P366-F592 HydrophobicContact CG-CE1 4.18Å; P366-F592 HydrophobicContact CG-CE2 4.24Å; P366-F592 HydrophobicContact CG-CZ 3.62Å; F562-F592 HydrophobicContact CD1-CB 4.12Å; F562-F592 HydrophobicContact CE1-CB 3.82Å; F562-F592 HydrophobicContact CE1-CD2 4.46Å; F562-F592 HydrophobicContact CZ-CB 4.12Å; F562-F592 WeakPolarHBondContact O-CB 3.46Å; F562-F592 PolarHBondContact O-N 2.87Å; F563-F592 HydrophobicContact CD1-CB 4.03Å; F563-F592 HydrophobicContact CD1-CD1 4.26Å; F563-F592 HydrophobicContact CD1-CD2 4.48Å; F563-F592 HydrophobicContact CD1-CG 4.01Å; F563-F592 HydrophobicContact CE1-CD2 4.37Å; F563-F592 HydrophobicContact CE1-CG 4.34Å; F592-Y595 PolarHBondContact O-N 2.78Å; F592-R596 HydrophobicContact CE1-CG 4.3Å; F592-R596 HydrophobicContact CE2-CG 4.13Å; F592-R596 HydrophobicContact CZ-CG 4.02Å; F592-R596 WeakPolarHBondContact O-CG 3.2Å; F592-R596 PolarHBondContact O-N 2.96Å; F592-R596 VanDerWaalsContact O-N 3.09Å; F592-Y733 HydrophobicContact CD1-CD1 4.1Å; F592-Y733 HydrophobicContact CD1-CE1 4.22Å; F592-Y733 AromaticContact CE1-CD1 3.89Å; F592-Y733 HydrophobicContact CE1-CD1 3.89Å; F592-Y733 HydrophobicContact CE1-CE1 4.25Å; F592-Y733 HydrophobicContact CE1-CG 4.41Å
593	F	91.8	Very high	83.5	Confident	65 Å²	65	66.8 Å²	66.8	29%	0.285	35%	0.349	S	S	.	.	H	α-helix	trans	-66.2	-38.4	176.4	-177.2	-96.8	0	0	0	112.4	K566 T591 R596 T597	K566-F593 HydrophobicContact CB-CD1 3.78Å; K566-F593 HydrophobicContact CB-CE1 4.16Å; K566-F593 HydrophobicContact CB-CG 4.37Å; K566-F593 HydrophobicContact CD-CE1 4.25Å; K566-F593 HydrophobicContact CD-CZ 4.46Å; K566-F593 HydrophobicContact CG-CD1 3.85Å; K566-F593 HydrophobicContact CG-CE1 4.03Å; K566-F593 HydrophobicContact CG-CG 4.13Å; K566-F593 HydrophobicContact CG-CZ 4.46Å; T591-F593 PolarHBondContact O-N 2.89Å; T591-F593 PolarHBondContact OG1-N 2.89Å; F593-R596 PolarHBondContact O-N 2.87Å; F593-T597 HydrophobicContact CD1-CG2 4.5Å; F593-T597 HydrophobicContact CE1-CG2 4.04Å; F593-T597 HydrophobicContact CE2-CG2 4.14Å; F593-T597 HydrophobicContact CZ-CG2 3.84Å; F593-T597 WeakPolarHBondContact O-CG2 3.49Å; F593-T597 PolarHBondContact O-N 2.76Å; F593-T597 PolarHBondContact O-OG1 2.96Å
594	Q	91.3	Very high	85.1	Confident	45 Å²	45	66.6 Å²	66.6	21%	0.21	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-50.7	174.2	-76.5	168.5	-46.8	0	0	110.9	K566 R590 T591 R596 T597 T598	K566-Q594 WeakPolarHBondContact O-CG 3.37Å; R590-Q594 VanDerWaalsContact CA-OE1 3.27Å; R590-Q594 HydrophobicContact CB-CB 4.25Å; T591-Q594 PolarHBondContact O-N 2.86Å; T591-Q594 VanDerWaalsContact O-N 3.13Å; T591-Q594 WeakPolarHBondContact OG1-CG 3.39Å; T591-Q594 PolarHBondContact OG1-N 2.78Å; T591-Q594 PolarHBondContact OG1-OE1 2.83Å; Q594-R596 PolarHBondContact O-N 3.03Å; Q594-R596 VanDerWaalsContact O-N 3.16Å; Q594-T597 PolarHBondContact O-N 3.18Å; Q594-T597 PolarHBondContact O-OG1 2.83Å; Q594-T598 PolarHBondContact O-N 2.87Å; Q594-T598 PolarHBondContact O-OG1 3.28Å; Q594-T598 VanDerWaalsContact O-OG1 3.07Å
595	Y	91.1	Very high	86	Confident	3 Å²	3	62.1 Å²	62.1	1%	0.012	32%	0.315	C	S	.	.	H	α-helix	trans	-60.5	-26.1	176.6	-77.9	-72.8	0	0	0	114.6	Y319 E320 D322 Y323 Q372 R590 T591 F592	Y319-Y595 HydrophobicContact CD1-CE1 4.06Å; Y319-Y595 HydrophobicContact CE1-CE1 4.1Å; Y319-Y595 PolarHBondContact O-OH 3.48Å; E320-Y595 HydrophobicContact CB-CD1 4.42Å; E320-Y595 HydrophobicContact CB-CE1 4.06Å; E320-Y595 HydrophobicContact CG-CD1 3.98Å; E320-Y595 HydrophobicContact CG-CE1 3.93Å; D322-Y595 HydrophobicContact CB-CE2 3.79Å; D322-Y595 VanDerWaalsContact OD2-CE2 3.29Å; D322-Y595 WeakPolarHBondContact OD2-CE2 3.23Å; D322-Y595 PolarHBondContact OD2-OH 3Å; Y323-Y595 HydrophobicContact CE2-CD2 4.4Å; Y323-Y595 HydrophobicContact CE2-CG 4.3Å; Q372-Y595 PolarHBondContact NE2-O 3.14Å; R590-Y595 HydrophobicContact CB-CD2 4.21Å; R590-Y595 HydrophobicContact CB-CE2 3.62Å; R590-Y595 HydrophobicContact CG-CE2 4.45Å; R590-Y595 PolarHBondContact NH1-OH 2.84Å; T591-Y595 WeakPolarHBondContact O-CD2 3.34Å; T591-Y595 PolarHBondContact O-N 2.92Å; T591-Y595 VanDerWaalsContact O-N 3.17Å; F592-Y595 PolarHBondContact O-N 2.78Å
596	R	89	Confident	86.5	Confident	52 Å²	52	73 Å²	73	20%	0.196	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-5.6	173.8	-72.2	-63.9	-172.1	85.6	2.2	114.8	E367 F592 F593 Q594	E367-R596 PolarHBondContact O-NH2 3.45Å; E367-R596 IonicContact OE2-CZ 3.73Å; E367-R596 VanDerWaalsContact OE2-CZ 3.22Å; E367-R596 IonicContact OE2-NH1 2.63Å; E367-R596 PolarHBondContact OE2-NH1 2.97Å; E367-R596 IonicContact OE2-NH2 3.74Å; E367-R596 PolarHBondContact OE2-NH2 3.22Å; F592-R596 HydrophobicContact CE1-CG 4.3Å; F592-R596 HydrophobicContact CE2-CG 4.13Å; F592-R596 HydrophobicContact CZ-CG 4.02Å; F592-R596 WeakPolarHBondContact O-CG 3.2Å; F592-R596 PolarHBondContact O-N 2.96Å; F592-R596 VanDerWaalsContact O-N 3.09Å; F593-R596 PolarHBondContact O-N 2.87Å; Q594-R596 PolarHBondContact O-N 3.03Å; Q594-R596 VanDerWaalsContact O-N 3.16Å
597	T	89.4	Confident	86.9	Confident	82 Å²	82	70.1 Å²	70.1	50%	0.503	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-20.9	-179.2	50.7	0	0	0	0	114.1	F593 Q594	F593-T597 HydrophobicContact CD1-CG2 4.5Å; F593-T597 HydrophobicContact CE1-CG2 4.04Å; F593-T597 HydrophobicContact CE2-CG2 4.14Å; F593-T597 HydrophobicContact CZ-CG2 3.84Å; F593-T597 WeakPolarHBondContact O-CG2 3.49Å; F593-T597 PolarHBondContact O-N 2.76Å; F593-T597 PolarHBondContact O-OG1 2.96Å; Q594-T597 PolarHBondContact O-N 3.18Å; Q594-T597 PolarHBondContact O-OG1 2.83Å
598	T	86.7	Confident	86.6	Confident	47 Å²	47	75.8 Å²	75.8	29%	0.288	38%	0.378	S	S	.	.	S	Bend	trans	-79.9	125.9	167.4	54.4	0	0	0	0	110.6	Q372 Q594	Q372-T598 PolarHBondContact NE2-O 3.48Å; Q594-T598 PolarHBondContact O-N 2.87Å; Q594-T598 PolarHBondContact O-OG1 3.28Å; Q594-T598 VanDerWaalsContact O-OG1 3.07Å
599	N	84.1	Confident	86.2	Confident	151 Å²	151	74.6 Å²	74.6	81%	0.807	37%	0.365	S	S	*	.			trans	-83.6	135.1	163.9	-64.5	-51.9	0	0	0	109.5	D601	N599-D601 PolarHBondContact O-N 2.7Å
600	I	85.2	Confident	84.9	Confident	29 Å²	29	76.2 Å²	76.2	15%	0.149	37%	0.373	C	S	.	.			trans	-94.1	95.1	-179.9	-64.8	175.5	0	0	0	109.5	Y319 E320 Q372 R602	Y319-I600 HydrophobicContact CD1-CD1 3.28Å; Y319-I600 HydrophobicContact CD1-CG1 3.84Å; Y319-I600 HydrophobicContact CD2-CG2 4.32Å; Y319-I600 HydrophobicContact CE1-CD1 3.49Å; Y319-I600 VanDerWaalsContact CE1-CD1 3.49Å; Y319-I600 HydrophobicContact CE1-CG1 3.58Å; Y319-I600 HydrophobicContact CG-CD1 3.99Å; Y319-I600 HydrophobicContact CG-CG1 4.44Å; Y319-I600 HydrophobicContact CG-CG2 4.33Å; E320-I600 HydrophobicContact CG-CD1 4.01Å; Q372-I600 HydrophobicContact CB-CD1 3.84Å; Q372-I600 HydrophobicContact CG-CD1 4.33Å; I600-R602 HydrophobicContact CG2-CG 3.38Å; I600-R602 PolarHBondContact O-N 3.36Å
601	D	81.8	Confident	83.4	Confident	170 Å²	170	72.7 Å²	72.7	91%	0.909	36%	0.362	S	S	*	.			trans	-92.7	73.8	177	-165.8	15.3	0	0	0	111	N599	N599-D601 PolarHBondContact O-N 2.7Å
602	R	89.6	Confident	81.4	Confident	65 Å²	65	76.1 Å²	76.1	25%	0.245	38%	0.379	C	S	.	.	S	Bend	trans	-142.7	154.3	171.9	51.1	159.5	-66.7	166.6	14.9	110.5	D317 E373 I600 H604	D317-R602 PolarHBondContact O-NH1 3.44Å; D317-R602 IonicContact OD1-CZ 2.89Å; D317-R602 IonicContact OD1-NH1 2.68Å; D317-R602 PolarHBondContact OD1-NH1 2.86Å; D317-R602 IonicContact OD1-NH2 2.74Å; D317-R602 PolarHBondContact OD1-NH2 2.75Å; D317-R602 VanDerWaalsContact OD1-NH2 3.13Å; D317-R602 IonicContact OD2-CZ 2.75Å; D317-R602 IonicContact OD2-NH1 2.65Å; D317-R602 IonicContact OD2-NH2 2.62Å; D317-R602 PolarHBondContact OD2-NH2 3.05Å; E373-R602 VanDerWaalsContact OE1-CD 3.3Å; E373-R602 WeakPolarHBondContact OE1-CD 3.2Å; E373-R602 IonicContact OE1-CZ 2.75Å; E373-R602 IonicContact OE1-NE 2.75Å; E373-R602 PolarHBondContact OE1-NE 3.28Å; E373-R602 IonicContact OE1-NH1 3.22Å; I600-R602 HydrophobicContact CG2-CG 3.38Å; I600-R602 PolarHBondContact O-N 3.36Å; R602-H604 PolarHBondContact O-N 3.12Å
603	P	83.5	Confident	79.3	Confident	114 Å²	114	85 Å²	85	74%	0.74	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-54.4	137.1	166.1	-23.6	34.4	0	0	0	110.7
604	H	81.7	Confident	77.5	Confident	112 Å²	112	85.2 Å²	85.2	52%	0.519	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-63.9	133.2	174	-74.6	37.7	0	0	0	109.5	R602	R602-H604 PolarHBondContact O-N 3.12Å
605	P	83.8	Confident	75.6	Confident	17 Å²	17	92 Å²	92	11%	0.11	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-61.2	137.5	174.6	25.7	-33.7	0	0	0	110.4	D317 L375	D317-P605 HydrophobicContact CB-CB 4.21Å; L375-P605 HydrophobicContact CB-CG 3.88Å; L375-P605 HydrophobicContact CD2-CB 4.38Å; L375-P605 HydrophobicContact CD2-CG 3.81Å; L375-P605 HydrophobicContact CG-CG 4.5Å
606	R	81.5	Confident	73.6	Confident	256 Å²	256	93.5 Å²	93.5	97%	0.966	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-90	120.6	172.8	-70.4	-174.4	177.6	-173.9	-0.6	109
607	F	84.6	Confident	71.4	Confident	50 Å²	50	92.2 Å²	92.2	22%	0.219	45%	0.451	C	S	.	.			trans	-126.1	153.1	178.6	60.7	-87	0	0	0	110.5	E374 L375 Y378 R609	E374-F607 HydrophobicContact CB-CE1 4.21Å; E374-F607 HydrophobicContact CB-CZ 4.49Å; E374-F607 HydrophobicContact CG-CE1 4.29Å; E374-F607 HydrophobicContact CG-CZ 4.1Å; L375-F607 HydrophobicContact CB-CD1 4.01Å; L375-F607 HydrophobicContact CB-CE1 4.03Å; L375-F607 HydrophobicContact CD1-CB 4.15Å; L375-F607 HydrophobicContact CD1-CD1 3.89Å; L375-F607 HydrophobicContact CD1-CD2 4.5Å; L375-F607 HydrophobicContact CD1-CE1 4.45Å; L375-F607 HydrophobicContact CD1-CG 3.93Å; Y378-F607 AromaticContact CD1-CD2 3.58Å; Y378-F607 HydrophobicContact CD1-CD2 3.58Å; Y378-F607 AromaticContact CD1-CE2 3.35Å; Y378-F607 HydrophobicContact CD1-CE2 3.35Å; Y378-F607 HydrophobicContact CD1-CZ 4.22Å; Y378-F607 HydrophobicContact CD2-CE2 4.04Å; Y378-F607 AromaticContact CE1-CD2 3.83Å; Y378-F607 HydrophobicContact CE1-CD2 3.83Å; Y378-F607 AromaticContact CE1-CE2 3.93Å; Y378-F607 HydrophobicContact CE1-CE2 3.93Å; Y378-F607 HydrophobicContact CG-CD2 4.13Å; Y378-F607 AromaticContact CG-CE2 3.41Å; Y378-F607 HydrophobicContact CG-CE2 3.41Å; Y378-F607 VanDerWaalsContact CG-CE2 3.41Å; Y378-F607 HydrophobicContact CG-CZ 4.04Å; F607-R609 HydrophobicContact CD2-CG 4.26Å; F607-R609 HydrophobicContact CE2-CG 3.79Å
608	N	77.7	Confident	69.2	Low	140 Å²	140	88.4 Å²	88.4	75%	0.749	43%	0.427	S	S	*	.			trans	-89	123.7	178.8	-70.4	-37.4	0	0	0	110.6	S610	N608-S610 PolarHBondContact O-N 2.82Å
609	R	75.9	Confident	67.3	Low	50 Å²	50	88 Å²	88	19%	0.189	42%	0.423	C	S	.	.			trans	-87.7	91.6	169	-64.8	166.6	174.7	-87.4	-0.5	108.1	E374 Y378 D459 F607	E374-R609 IonicContact OE1-CZ 3.71Å; E374-R609 IonicContact OE1-NE 3.13Å; E374-R609 IonicContact OE1-NH2 2.72Å; E374-R609 PolarHBondContact OE1-NH2 3.02Å; Y378-R609 HydrophobicContact CD2-CG 4.42Å; Y378-R609 HydrophobicContact CE2-CG 4.1Å; D459-R609 IonicContact OD1-NH1 2.75Å; D459-R609 IonicContact OD2-CZ 3.82Å; D459-R609 IonicContact OD2-NH1 3.38Å; D459-R609 PolarHBondContact OD2-NH1 2.71Å; D459-R609 IonicContact OD2-NH2 3.83Å; D459-R609 PolarHBondContact OD2-NH2 2.82Å; F607-R609 HydrophobicContact CD2-CG 4.26Å; F607-R609 HydrophobicContact CE2-CG 3.79Å
610	S	58.3	Low	65.4	Low	50 Å²	50	81.5 Å²	81.5	35%	0.35	39%	0.389	S	S	.	.			trans	-148.1	77.4	176.2	67.9	0	0	0	0	112.2	N608 L612	N608-S610 PolarHBondContact O-N 2.82Å; S610-L612 PolarHBondContact O-N 2.84Å
611	I	59.4	Low	63.3	Low	24 Å²	24	85.7 Å²	85.7	12%	0.123	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-67.5	-22.1	169.7	-64.5	179.8	0	0	0	111.6	L382 E411 K613 R614	L382-I611 HydrophobicContact CD2-CD1 3.51Å; L382-I611 HydrophobicContact CD2-CG1 4.15Å; E411-I611 WeakPolarHBondContact OE2-CG1 3.48Å; E411-I611 PolarHBondContact OE2-N 2.98Å; E411-I611 VanDerWaalsContact OE2-N 3.12Å; I611-K613 PolarHBondContact O-N 3.16Å; I611-R614 CarbonylContact O-C 3.53Å; I611-R614 PolarHBondContact O-N 2.73Å
612	L	50.9	Low	61.3	Low	71 Å²	71	80.6 Å²	80.6	37%	0.372	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-52	-3.1	179.9	-63.8	174.1	0	0	0	117.1	L412 F429 S610	L412-L612 HydrophobicContact CD2-CD1 4.03Å; L412-L612 HydrophobicContact CD2-CD2 4.37Å; F429-L612 HydrophobicContact CE1-CD2 4.03Å; F429-L612 HydrophobicContact CE2-CD2 3.78Å; F429-L612 HydrophobicContact CZ-CD2 3.39Å; F429-L612 HydrophobicContact CZ-CG 4.38Å; S610-L612 PolarHBondContact O-N 2.84Å
613	K	48.7	Very low	58.8	Low	192 Å²	192	79.1 Å²	79.1	84%	0.835	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-128.2	-1.2	174.4	-65.6	-172.4	177.5	-178.8	0	114.3	I611	I611-K613 PolarHBondContact O-N 3.16Å
614	R	52.4	Low	56.5	Low	69 Å²	69	78.1 Å²	78.1	26%	0.26	39%	0.389	S	S	.	.			trans	-139.6	115.2	-176.7	-66	-173.1	-62.4	-147.7	3.6	110	D291 E293 I611	D291-R614 VanDerWaalsContact O-CB 3.28Å; D291-R614 WeakPolarHBondContact O-CB 3.47Å; D291-R614 PolarHBondContact O-NE 2.87Å; D291-R614 IonicContact OD1-NH2 3.64Å; D291-R614 IonicContact OD2-CZ 3.23Å; D291-R614 IonicContact OD2-NH2 3.92Å; D291-R614 PolarHBondContact OD2-NH2 3.01Å; E293-R614 IonicContact OE2-CZ 3.59Å; E293-R614 IonicContact OE2-NH1 2.56Å; E293-R614 PolarHBondContact OE2-NH1 3.32Å; E293-R614 IonicContact OE2-NH2 2.68Å; I611-R614 CarbonylContact O-C 3.53Å; I611-R614 PolarHBondContact O-N 2.73Å
615	R	51.5	Low	54.2	Low	188 Å²	188	77.4 Å²	77.4	71%	0.709	40%	0.402	S	S	*	.			trans	-54.8	169.1	168.4	-55	176.9	68.5	170.7	4.9	110	E430 A617	E430-R615 IonicContact OE1-CZ 2.66Å; E430-R615 IonicContact OE1-NE 3.65Å; E430-R615 PolarHBondContact OE1-NE 2.87Å; E430-R615 IonicContact OE1-NH2 3.92Å; R615-A617 PolarHBondContact O-N 3.29Å
616	T	50.4	Low	51.8	Low	34 Å²	34	80.6 Å²	80.6	21%	0.209	43%	0.43	C	S	.	.	S	Bend	trans	-67	59.7	179	52.7	0	0	0	0	113.8	E430 S618 M619	E430-T616 HydrophobicContact CB-CG2 4.07Å; E430-T616 VanDerWaalsContact OE2-CB 3.32Å; E430-T616 WeakPolarHBondContact OE2-CB 3.37Å; E430-T616 WeakPolarHBondContact OE2-CG2 3.41Å; E430-T616 PolarHBondContact OE2-N 2.98Å; E430-T616 PolarHBondContact OE2-OG1 3.46Å; T616-S618 PolarHBondContact O-N 2.82Å; T616-M619 WeakPolarHBondContact O-CG 3.38Å
617	A	42.4	Very low	49.4	Very low	26 Å²	26	71.6 Å²	71.6	22%	0.215	40%	0.4	C	S	.	.			trans	-83.1	80.1	-174.5	0	0	0	0	0	110.8	I288 M289 G292 R615	I288-A617 HydrophobicContact CG2-CB 4.36Å; I288-A617 WeakPolarHBondContact CG2-O 3.47Å; M289-A617 VanDerWaalsContact O-O 3.05Å; G292-A617 WeakPolarHBondContact CA-O 3.33Å; R615-A617 PolarHBondContact O-N 3.29Å
618	S	43.4	Very low	47.1	Very low	2 Å²	2	73.9 Å²	73.9	1%	0.014	41%	0.414	C	S	.	.	S	Bend		-122.3	28.1	129.1	45.4	0	0	0	0	109.9	Y358 Q386 T616 P620	Y358-S618 WeakPolarHBondContact CD1-O 3.44Å; Y358-S618 WeakPolarHBondContact CE1-O 3.03Å; Q386-S618 PolarHBondContact NE2-OG 2.83Å; Q386-S618 PolarHBondContact OE1-OG 3.24Å; Q386-S618 VanDerWaalsContact OE1-OG 3.14Å; T616-S618 PolarHBondContact O-N 2.82Å; S618-P620 WeakPolarHBondContact O-CD 3.13Å
619	M	47.2	Very low	45.1	Very low	39 Å²	39	68.5 Å²	68.5	19%	0.192	39%	0.385	C	S	.	.	S	Bend	trans	-96.1	112.6	178.2	-69.3	-64.5	-72.4	0	0	109.6	T390 T616 T621 I629	T390-M619 HydrophobicContact CG2-CE 4.37Å; T390-M619 HydrophobicContact CG2-SD 3.69Å; T616-M619 WeakPolarHBondContact O-CG 3.38Å; M619-T621 PolarHBondContact O-N 2.89Å; M619-I629 HydrophobicContact CE-CD1 3.97Å; M619-I629 HydrophobicContact CE-CG2 4.19Å
620	P	43.4	Very low	43.1	Very low	14 Å²	14	69.2 Å²	69.2	9%	0.091	39%	0.39	C	S	.	.			trans	-61.5	100.9	168.9	17.5	-25.9	0	0	0	110.5	Y358 S618 G622 L623 I629	Y358-P620 WeakPolarHBondContact OH-CB 3.1Å; S618-P620 WeakPolarHBondContact O-CD 3.13Å; P620-G622 PolarHBondContact O-N 3.06Å; P620-L623 HydrophobicContact CB-CB 4.2Å; P620-L623 HydrophobicContact CB-CD1 4Å; P620-L623 HydrophobicContact CB-CG 4.33Å; P620-L623 HydrophobicContact CG-CB 4.16Å; P620-L623 HydrophobicContact CG-CD1 3.66Å; P620-L623 HydrophobicContact CG-CG 4.37Å; P620-L623 PolarHBondContact O-N 2.87Å; P620-I629 HydrophobicContact CG-CD1 4.39Å
621	T	42.1	Very low	42.1	Very low	116 Å²	116	70.7 Å²	70.7	71%	0.712	40%	0.398	S	S	*	.	H	α-helix	trans	-55.4	-34.2	177.1	45.6	0	0	0	0	111.8	M619 L623	M619-T621 PolarHBondContact O-N 2.89Å; T621-L623 VanDerWaalsContact C-N 3.31Å; T621-L623 PolarHBondContact O-N 2.84Å
622	G	38.2	Very low	41.3	Very low	64 Å²	64	69.8 Å²	69.8	66%	0.66	39%	0.393	S	S	*	.	H	α-helix	trans	-67	-18.1	174.4	0	0	0	0	0	116.2	P620	P620-G622 PolarHBondContact O-N 3.06Å
623	L	38.2	Very low	41	Very low	34 Å²	34	68 Å²	68	18%	0.178	38%	0.384	C	S	.	.	H	α-helix	trans	-88.4	-28.3	177.9	-85.7	167.5	0	0	0	113.3	P620 T621 A625 A626 M627 I629 L632	P620-L623 HydrophobicContact CB-CB 4.2Å; P620-L623 HydrophobicContact CB-CD1 4Å; P620-L623 HydrophobicContact CB-CG 4.33Å; P620-L623 HydrophobicContact CG-CB 4.16Å; P620-L623 HydrophobicContact CG-CD1 3.66Å; P620-L623 HydrophobicContact CG-CG 4.37Å; P620-L623 PolarHBondContact O-N 2.87Å; T621-L623 VanDerWaalsContact C-N 3.31Å; T621-L623 PolarHBondContact O-N 2.84Å; L623-A625 PolarHBondContact O-N 2.97Å; L623-A626 PolarHBondContact O-N 3.08Å; L623-M627 PolarHBondContact O-N 3.03Å; L623-I629 HydrophobicContact CB-CD1 3.9Å; L623-I629 HydrophobicContact CB-CG1 4.23Å; L623-L632 HydrophobicContact CD1-CD1 4Å
624	N	35.1	Very low	41	Very low	92 Å²	92	60.9 Å²	60.9	49%	0.492	35%	0.352	S	S	.	.	H	α-helix	trans	-58.9	-29.8	177.8	-75.6	-36.9	0	0	0	113.4	A626 I629	N624-A626 VanDerWaalsContact C-N 3.3Å; N624-A626 PolarHBondContact O-N 2.91Å; N624-I629 WeakPolarHBondContact OD1-CD1 3.41Å
625	A	33.5	Very low	40.6	Very low	97 Å²	97	58 Å²	58	80%	0.802	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-15	-176.4	0	0	0	0	0	114.5	L623	L623-A625 PolarHBondContact O-N 2.97Å
626	A	33.7	Very low	40.5	Very low	84 Å²	84	49.4 Å²	49.4	69%	0.694	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.3	-20.2	-173.9	0	0	0	0	0	114.6	L623 N624	L623-A626 PolarHBondContact O-N 3.08Å; N624-A626 VanDerWaalsContact C-N 3.3Å; N624-A626 PolarHBondContact O-N 2.91Å
627	M	31.4	Very low	40.5	Very low	67 Å²	67	48.4 Å²	48.4	33%	0.33	31%	0.305	S	S	.	.	S	Bend	trans	-141.7	137	-178.9	-67.3	-163.8	170.9	0	0	112.9	R334 L623 I629	R334-M627 VanDerWaalsContact CD-SD 3.52Å; R334-M627 VanDerWaalsContact CZ-CE 3.48Å; R334-M627 VanDerWaalsContact CZ-SD 3.56Å; R334-M627 PolarHBondContact NH1-SD 3.49Å; L623-M627 PolarHBondContact O-N 3.03Å; M627-I629 PolarHBondContact O-N 2.77Å
628	N	35.2	Very low	41	Very low	98 Å²	98	54.6 Å²	54.6	52%	0.524	32%	0.322	S	S	.	.			trans	-65	102	172.1	-177.7	-4.7	0	0	0	109.3	H630 T631	N628-H630 PolarHBondContact O-N 3.01Å; N628-H630 WeakPolarHBondContact OD1-CB 3.32Å; N628-H630 PolarHBondContact OD1-CD2 2.98Å; N628-H630 PolarHBondContact OD1-N 3.02Å; N628-T631 HydrophobicContact CB-CG2 4.37Å; N628-T631 WeakPolarHBondContact O-CB 3.45Å; N628-T631 PolarHBondContact O-N 2.94Å; N628-T631 PolarHBondContact O-OG1 2.81Å
629	I	35.3	Very low	41.5	Very low	27 Å²	27	57.5 Å²	57.5	14%	0.138	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-58.4	-24.6	-170.8	-68.8	-167.6	0	0	0	112.9	M619 P620 L623 N624 M627 T631 L632	M619-I629 HydrophobicContact CE-CD1 3.97Å; M619-I629 HydrophobicContact CE-CG2 4.19Å; P620-I629 HydrophobicContact CG-CD1 4.39Å; L623-I629 HydrophobicContact CB-CD1 3.9Å; L623-I629 HydrophobicContact CB-CG1 4.23Å; N624-I629 WeakPolarHBondContact OD1-CD1 3.41Å; M627-I629 PolarHBondContact O-N 2.77Å; I629-T631 PolarHBondContact O-N 3.09Å; I629-T631 VanDerWaalsContact O-N 3.13Å; I629-L632 HydrophobicContact CB-CD1 4.31Å; I629-L632 HydrophobicContact CG1-CD1 4.03Å; I629-L632 HydrophobicContact CG2-CD1 4.3Å; I629-L632 WeakPolarHBondContact O-CB 3.39Å; I629-L632 PolarHBondContact O-N 3.09Å
630	H	35.3	Very low	42.1	Very low	65 Å²	65	55.9 Å²	55.9	30%	0.301	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-53.4	-31.9	171.8	-57.8	-45.2	0	0	0	113.1	T390 N628 L632 H636	T390-H630 PolarHBondContact O-CE1 2.81Å; T390-H630 PolarHBondContact O-ND1 3.2Å; N628-H630 PolarHBondContact O-N 3.01Å; N628-H630 WeakPolarHBondContact OD1-CB 3.32Å; N628-H630 PolarHBondContact OD1-CD2 2.98Å; N628-H630 PolarHBondContact OD1-N 3.02Å; H630-L632 VanDerWaalsContact C-N 3.3Å; H630-L632 PolarHBondContact O-N 3.18Å; H630-H636 HydrophobicContact CB-CB 3.96Å; H630-H636 AromaticContact CE1-CD2 3.85Å; H630-H636 AromaticContact CE1-NE2 3.87Å; H630-H636 AromaticContact CG-CD2 3.82Å; H630-H636 AromaticContact ND1-CD2 3.26Å; H630-H636 PolarHBondContact ND1-CD2 2.71Å; H630-H636 VanDerWaalsContact ND1-CD2 3.26Å; H630-H636 AromaticContact ND1-NE2 3.77Å
631	T	35.8	Very low	42.1	Very low	81 Å²	81	58.3 Å²	58.3	50%	0.497	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-75.5	-10.3	178.4	65.1	0	0	0	0	114.5	N628 I629 N633	N628-T631 HydrophobicContact CB-CG2 4.37Å; N628-T631 WeakPolarHBondContact O-CB 3.45Å; N628-T631 PolarHBondContact O-N 2.94Å; N628-T631 PolarHBondContact O-OG1 2.81Å; I629-T631 PolarHBondContact O-N 3.09Å; I629-T631 VanDerWaalsContact O-N 3.13Å; T631-N633 PolarHBondContact O-N 3.36Å
632	L	43.2	Very low	41.7	Very low	5 Å²	5	57.6 Å²	57.6	3%	0.026	34%	0.34	C	S	.	.	S	Bend	trans	-83.9	48.1	-170.9	-60.2	-179.8	0	0	0	113.8	R334 W336 L623 I629 H630 R634	R334-L632 HydrophobicContact CB-CD2 3.82Å; W336-L632 PolarHBondContact NE1-O 2.88Å; L623-L632 HydrophobicContact CD1-CD1 4Å; I629-L632 HydrophobicContact CB-CD1 4.31Å; I629-L632 HydrophobicContact CG1-CD1 4.03Å; I629-L632 HydrophobicContact CG2-CD1 4.3Å; I629-L632 WeakPolarHBondContact O-CB 3.39Å; I629-L632 PolarHBondContact O-N 3.09Å; H630-L632 VanDerWaalsContact C-N 3.3Å; H630-L632 PolarHBondContact O-N 3.18Å; L632-R634 VanDerWaalsContact C-N 3.33Å; L632-R634 PolarHBondContact O-N 3.06Å; L632-R634 VanDerWaalsContact O-N 3.16Å
633	N	44.6	Very low	41.2	Very low	33 Å²	33	58.1 Å²	58.1	18%	0.176	35%	0.345	C	S	.	.	S	Bend	trans	57.8	30.7	164.3	-61.8	-87.8	0	0	0	117.3	R334 T335 R551 T631	R334-N633 PolarHBondContact O-ND2 3.35Å; T335-N633 HydrophobicContact CG2-CB 3.61Å; T335-N633 VanDerWaalsContact OG1-CG 3.23Å; T335-N633 PolarHBondContact OG1-ND2 3.07Å; R551-N633 PolarHBondContact NH2-O 2.9Å; T631-N633 PolarHBondContact O-N 3.36Å
634	R	48.1	Very low	40.9	Very low	43 Å²	43	65.6 Å²	65.6	16%	0.162	38%	0.376	C	S	.	.	S	Bend		-104.2	115.4	129.1	-80.2	177.8	169.2	159.3	6.7	104.8	D387 K392 L632 H636	D387-R634 IonicContact OD1-NH1 3.67Å; K392-R634 HydrophobicContact CG-CB 4.48Å; L632-R634 VanDerWaalsContact C-N 3.33Å; L632-R634 PolarHBondContact O-N 3.06Å; L632-R634 VanDerWaalsContact O-N 3.16Å; R634-H636 PolarHBondContact O-N 3.41Å
635	A	44.3	Very low	40.5	Very low	8 Å²	8	68 Å²	68	7%	0.066	39%	0.388	C	S	.	.			trans	-59.4	112.8	-177.3	0	0	0	0	0	109.5	L476 Y488	L476-A635 HydrophobicContact CB-CB 3.79Å; L476-A635 HydrophobicContact CD1-CB 4.19Å; L476-A635 WeakPolarHBondContact CD1-O 3.49Å; Y488-A635 HydrophobicContact CD1-CB 3.38Å; Y488-A635 HydrophobicContact CE1-CB 3.24Å; Y488-A635 HydrophobicContact CG-CB 4.43Å
636	H	49	Very low	40.4	Very low	8 Å²	8	70.6 Å²	70.6	4%	0.037	38%	0.383	C	S	.	.			trans	-68.5	135.8	177.8	-168.9	-81.1	0	0	0	108	T390 G391 H630 R634 R638 D639	T390-H636 PolarHBondContact O-CD2 3.07Å; T390-H636 PolarHBondContact O-NE2 3.07Å; G391-H636 VanDerWaalsContact C-NE2 3.33Å; G391-H636 VanDerWaalsContact CA-NE2 3.28Å; G391-H636 WeakPolarHBondContact CA-NE2 3.31Å; G391-H636 PolarHBondContact O-NE2 2.99Å; H630-H636 HydrophobicContact CB-CB 3.96Å; H630-H636 AromaticContact CE1-CD2 3.85Å; H630-H636 AromaticContact CE1-NE2 3.87Å; H630-H636 AromaticContact CG-CD2 3.82Å; H630-H636 AromaticContact ND1-CD2 3.26Å; H630-H636 PolarHBondContact ND1-CD2 2.71Å; H630-H636 VanDerWaalsContact ND1-CD2 3.26Å; H630-H636 AromaticContact ND1-NE2 3.77Å; R634-H636 PolarHBondContact O-N 3.41Å; H636-R638 VanDerWaalsContact CE1-CD 3.41Å; H636-R638 WeakPolarHBondContact CE1-CD 3.42Å; H636-R638 VanDerWaalsContact CE1-CG 3.42Å; H636-R638 WeakPolarHBondContact CE1-CG 3.49Å; H636-R638 PolarHBondContact CE1-NH1 2.7Å; H636-R638 VanDerWaalsContact ND1-CB 3.26Å; H636-R638 WeakPolarHBondContact ND1-CB 3.35Å; H636-R638 WeakPolarHBondContact ND1-CG 3.4Å; H636-R638 PolarHBondContact ND1-N 2.92Å; H636-R638 PolarHBondContact O-N 3.42Å; H636-D639 WeakPolarHBondContact CB-OD2 3.17Å; H636-D639 WeakPolarHBondContact O-CA 3.2Å; H636-D639 WeakPolarHBondContact O-CB 3.4Å; H636-D639 PolarHBondContact O-N 2.81Å
637	P	50.6	Low	40.2	Very low	14 Å²	14	72.9 Å²	72.9	9%	0.091	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.9	179.9	-21.7	27.4	0	0	0	113.3	G391 P394 L471 R502 D639 M640	G391-P637 WeakPolarHBondContact O-CD 3.4Å; G391-P637 WeakPolarHBondContact O-CG 3.45Å; P394-P637 HydrophobicContact CB-CB 4.37Å; P394-P637 HydrophobicContact CB-CG 4.17Å; P394-P637 HydrophobicContact CG-CB 3.96Å; P394-P637 HydrophobicContact CG-CG 3.67Å; L471-P637 HydrophobicContact CD1-CB 4.15Å; L471-P637 HydrophobicContact CD1-CG 3.69Å; R502-P637 WeakPolarHBondContact CG-O 3.5Å; R502-P637 PolarHBondContact NE-O 2.94Å; P637-D639 VanDerWaalsContact C-N 3.33Å; P637-D639 PolarHBondContact O-N 3.21Å; P637-M640 HydrophobicContact CB-SD 4.44Å; P637-M640 PolarHBondContact O-N 2.9Å
638	R	53	Low	40.2	Very low	155 Å²	155	74.7 Å²	74.7	59%	0.585	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-38.8	171.3	-67.4	172.2	-176.8	129.5	-3.5	112.7	R502 H636 M640 T641	R502-R638 PolarHBondContact NH2-O 2.86Å; H636-R638 VanDerWaalsContact CE1-CD 3.41Å; H636-R638 WeakPolarHBondContact CE1-CD 3.42Å; H636-R638 VanDerWaalsContact CE1-CG 3.42Å; H636-R638 WeakPolarHBondContact CE1-CG 3.49Å; H636-R638 PolarHBondContact CE1-NH1 2.7Å; H636-R638 VanDerWaalsContact ND1-CB 3.26Å; H636-R638 WeakPolarHBondContact ND1-CB 3.35Å; H636-R638 WeakPolarHBondContact ND1-CG 3.4Å; H636-R638 PolarHBondContact ND1-N 2.92Å; H636-R638 PolarHBondContact O-N 3.42Å; R638-M640 VanDerWaalsContact C-N 3.25Å; R638-M640 PolarHBondContact O-N 2.86Å; R638-T641 PolarHBondContact O-OG1 2.89Å
639	D	54.5	Low	40.1	Very low	63 Å²	63	77.3 Å²	77.3	34%	0.337	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-14.2	-176.4	-55.2	-16.2	0	0	0	112.6	Y488 H636 P637 T641	Y488-D639 PolarHBondContact OH-O 3.21Å; H636-D639 WeakPolarHBondContact CB-OD2 3.17Å; H636-D639 WeakPolarHBondContact O-CA 3.2Å; H636-D639 WeakPolarHBondContact O-CB 3.4Å; H636-D639 PolarHBondContact O-N 2.81Å; P637-D639 VanDerWaalsContact C-N 3.33Å; P637-D639 PolarHBondContact O-N 3.21Å; D639-T641 PolarHBondContact O-N 2.99Å
640	M	58.9	Low	40	Very low	6 Å²	6	83.9 Å²	83.9	3%	0.03	44%	0.439	C	S	.	.	S	Bend	trans	-72.6	24.7	173.8	-54.6	171.3	67.4	0	0	113.5	L476 Y488 Y499 D501 R502 P637 R638	L476-M640 HydrophobicContact CD1-SD 4.16Å; Y488-M640 HydrophobicContact CD2-CB 4.21Å; Y488-M640 HydrophobicContact CD2-CE 4.19Å; Y488-M640 HydrophobicContact CD2-CG 3.77Å; Y488-M640 HydrophobicContact CE2-CB 3.99Å; Y488-M640 HydrophobicContact CE2-CG 3.73Å; Y488-M640 HydrophobicContact CG-CE 4.43Å; Y488-M640 HydrophobicContact CG-CG 4.26Å; Y499-M640 HydrophobicContact CD1-CE 4.17Å; Y499-M640 HydrophobicContact CG-CE 3.82Å; D501-M640 CarbonylContact C-O 3.53Å; D501-M640 WeakPolarHBondContact CA-O 3.45Å; R502-M640 HydrophobicContact CG-CB 3.8Å; R502-M640 PolarHBondContact N-O 2.78Å; R502-M640 VanDerWaalsContact N-O 3.11Å; P637-M640 HydrophobicContact CB-SD 4.44Å; P637-M640 PolarHBondContact O-N 2.9Å; R638-M640 VanDerWaalsContact C-N 3.25Å; R638-M640 PolarHBondContact O-N 2.86Å
641	T	43.7	Very low	40	Very low	64 Å²	64	89.1 Å²	89.1	39%	0.393	47%	0.468	S	S	.	.			trans	-91.8	127.9	178.7	33.3	0	0	0	0	113.7	R502 R638 D639	R502-T641 VanDerWaalsContact CZ-CG2 3.47Å; R638-T641 PolarHBondContact O-OG1 2.89Å; D639-T641 PolarHBondContact O-N 2.99Å
642	V	33.7	Very low	39.9	Very low	102 Å²	102	93.8 Å²	93.8	62%	0.618	48%	0.484	S	S	*	.	S	Bend	trans	22.9	109	140.4	-169.4	0	0	0	0	114.7	D501 K644	D501-V642 WeakPolarHBondContact OD1-CA 3.45Å; D501-V642 PolarHBondContact OD1-N 2.8Å; V642-K644 PolarHBondContact O-N 2.79Å
643	G	28.2	Very low	39.4	Very low	75 Å²	75	96.4 Å²	96.4	77%	0.773	51%	0.512	S	S	*	.			trans	-41	102.2	-168.8	0	0	0	0	0	115.6
644	K	32.1	Very low	38.8	Very low	190 Å²	190	102.9 Å²	102.9	83%	0.826	55%	0.546	S	S	*	.			trans	-76.5	120.9	160.4	-74.2	-172.5	176.6	-178.8	0	109	V642 Q646	V642-K644 PolarHBondContact O-N 2.79Å; K644-Q646 PolarHBondContact O-N 2.64Å
645	I	27.4	Very low	38.1	Very low	144 Å²	144	112.1 Å²	112.1	74%	0.738	58%	0.581	S	S	*	*			trans	-52.7	119.1	176	-57.4	168.3	0	0	0	109	N647	I645-N647 VanDerWaalsContact C-N 3.33Å; I645-N647 VanDerWaalsContact CG2-OD1 3.28Å; I645-N647 WeakPolarHBondContact CG2-OD1 3.46Å; I645-N647 PolarHBondContact O-N 2.7Å
646	Q	31.2	Very low	37.5	Very low	151 Å²	151	122.9 Å²	122.9	71%	0.706	62%	0.62	S	S	*	*			trans	-73.4	92.3	164.7	-74.5	-169.5	-1.1	0	0	108.8	K644 N648	K644-Q646 PolarHBondContact O-N 2.64Å; Q646-N648 PolarHBondContact O-N 3.04Å; Q646-N648 PolarHBondContact OE1-ND2 2.69Å
647	N	28	Very low	36.8	Very low	131 Å²	131	133 Å²	133	70%	0.701	66%	0.664	S	S	*	*			trans	-67.4	77.9	164.1	-71.6	-16	0	0	0	108.9	I645 D649	I645-N647 VanDerWaalsContact C-N 3.33Å; I645-N647 VanDerWaalsContact CG2-OD1 3.28Å; I645-N647 WeakPolarHBondContact CG2-OD1 3.46Å; I645-N647 PolarHBondContact O-N 2.7Å; N647-D649 PolarHBondContact O-N 2.82Å
648	N	31.8	Very low	35.9	Very low	105 Å²	105	135.5 Å²	135.5	56%	0.561	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-5.5	-175.3	-86.9	-44.2	0	0	0	113.9	Q646	Q646-N648 PolarHBondContact O-N 3.04Å; Q646-N648 PolarHBondContact OE1-ND2 2.69Å
649	D	33.8	Very low	35	Very low	153 Å²	153	134.4 Å²	134.4	82%	0.818	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	6.7	-169.2	-59.9	-38.7	0	0	0	115.8	N647	N647-D649 PolarHBondContact O-N 2.82Å
650	Q	33.6	Very low	34.1	Very low	166 Å²	166	138 Å²	138	78%	0.776	73%	0.732	S	S	*	*	S	Bend	trans	-119.8	-8.8	179.2	-66.9	-162.9	12.8	0	0	116.5	Q652	Q650-Q652 VanDerWaalsContact C-N 3.31Å; Q650-Q652 PolarHBondContact O-N 2.89Å
651	L	34.2	Very low	33.1	Very low	174 Å²	174	146.7 Å²	146.7	91%	0.911	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	10.4	178.4	-82.6	170.3	0	0	0	115.2
652	Q	34.4	Very low	32.5	Very low	180 Å²	180	152.2 Å²	152.2	84%	0.841	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-6	171	-60.1	-163.7	57.2	0	0	113.7	Q650	Q650-Q652 VanDerWaalsContact C-N 3.31Å; Q650-Q652 PolarHBondContact O-N 2.89Å
653	G	31.5	Very low	32.6	Very low	59 Å²	59	150.4 Å²	150.4	61%	0.608	80%	0.798	S	S	*	*	S	Bend	trans	-79.9	-39.6	-174.6	0	0	0	0	0	116.2	R655	G653-R655 PolarHBondContact O-N 3.21Å; G653-R655 VanDerWaalsContact O-N 3.08Å
654	L	33.8	Very low	32.8	Very low	169 Å²	169	154 Å²	154	89%	0.885	79%	0.794	S	S	*	*	S	Bend	trans	-90.3	57.3	-167.3	-81.9	80.2	0	0	0	114.3
655	R	31.7	Very low	32.9	Very low	237 Å²	237	154.8 Å²	154.8	89%	0.894	79%	0.794	S	S	*	*	S	Bend	trans	-147.9	62.1	162.8	-84.3	-151.9	-89.3	-156.2	-6.6	113.8	G653	G653-R655 PolarHBondContact O-N 3.21Å; G653-R655 VanDerWaalsContact O-N 3.08Å
656	R	32.4	Very low	33.3	Very low	234 Å²	234	154.4 Å²	154.4	88%	0.883	79%	0.793	S	S	*	*			trans	-161.1	36	166.5	-119.3	174.5	-148.2	-146.4	9.1	119.1
657	F	34.1	Very low	33.6	Very low	222 Å²	222	152.4 Å²	152.4	97%	0.974	80%	0.796	S	S	*	*			trans	-143.4	141.2	159.3	-65.4	-72.9	0	0	0	108.9
658	G	31.3	Very low	33.9	Very low	66 Å²	66	150 Å²	150	68%	0.68	80%	0.803	S	S	*	*			cis	176.9	105.3	-9.5	0	0	0	0	0	109.2	V660	G658-V660 PolarHBondContact O-N 3.5Å
659	S	34.2	Very low	34.2	Very low	132 Å²	132	149.7 Å²	149.7	92%	0.923	81%	0.814	S	S	*	*			trans	-77.5	107.6	-175.9	54.7	0	0	0	0	111.3
660	V	35.6	Very low	34.3	Very low	139 Å²	139	150.4 Å²	150.4	84%	0.842	82%	0.818	S	S	*	*			trans	-116.5	137.5	167.8	-177.9	0	0	0	0	107.9	G658	G658-V660 PolarHBondContact O-N 3.5Å
661	Q	38.7	Very low	34.3	Very low	187 Å²	187	145.8 Å²	145.8	87%	0.874	82%	0.815	S	S	*	*			trans	-81.9	158.3	-172.5	-68.8	171.7	-100.1	0	0	112.4
662	M	31.3	Very low	34.5	Very low	180 Å²	180	144.5 Å²	144.5	89%	0.887	81%	0.809	S	S	*	*			trans	-58.1	134.2	168.8	-70.7	-80.2	-74.8	0	0	111.3
663	G	34.7	Very low	34.5	Very low	64 Å²	64	143.2 Å²	143.2	66%	0.66	81%	0.808	S	S	*	*			trans	-121.9	149.7	160.4	0	0	0	0	0	108.9
664	H	33.5	Very low	34.7	Very low	150 Å²	150	144.2 Å²	144.2	69%	0.694	82%	0.819	S	S	*	*			trans	-83.9	-176.7	-172	-88	-121.5	0	0	0	113.9
665	Y	34.4	Very low	34.7	Very low	207 Å²	207	141.2 Å²	141.2	81%	0.812	82%	0.818	S	S	*	*			trans	79	137.8	162.7	-32.1	-66.3	0	0	0	115.7
666	D	35.6	Very low	35	Very low	136 Å²	136	136.7 Å²	136.7	73%	0.727	82%	0.817	S	S	*	*			cis	-162.7	166.3	-24.4	-151.3	-52.2	0	0	0	108.5
667	S	36.4	Very low	35.1	Very low	109 Å²	109	133.3 Å²	133.3	76%	0.762	81%	0.811	S	S	*	*			trans	41.4	104.3	154	-67	0	0	0	0	118.8
668	G	34.4	Very low	35	Very low	82 Å²	82	131 Å²	131	85%	0.845	81%	0.808	S	S	*	*				114.6	163.5	86	0	0	0	0	0	110.1
669	A	37.8	Very low	34.9	Very low	97 Å²	97	138.6 Å²	138.6	80%	0.802	82%	0.817	S	S	*	*			cis	-152.7	-166.3	-5.8	0	0	0	0	0	109.5
670	N	36.7	Very low	34.9	Very low	169 Å²	169	135.5 Å²	135.5	90%	0.904	81%	0.807	S	S	*	*			trans	-22.5	153	173	-56	-17.7	0	0	0	118.5
671	G	34.5	Very low	34.9	Very low	68 Å²	68	135.6 Å²	135.6	70%	0.701	81%	0.808	S	S	*	*			cis	139.3	156.5	5.1	0	0	0	0	0	112.5
672	N	36.7	Very low	34.6	Very low	148 Å²	148	133 Å²	133	79%	0.791	80%	0.804	S	S	*	*			trans	69.5	120	172.9	-73.9	-8.5	0	0	0	121.2
673	N	35.4	Very low	35.2	Very low	152 Å²	152	130.4 Å²	130.4	81%	0.813	80%	0.801	S	S	*	*				61.5	113.5	127.8	-54.1	-15.9	0	0	0	121.5
674	G	35.9	Very low	35.2	Very low	81 Å²	81	138.4 Å²	138.4	84%	0.835	81%	0.811	S	S	*	*			trans	-169.8	107.9	159.1	0	0	0	0	0	111.2
675	A	32.6	Very low	35.3	Very low	105 Å²	105	139.3 Å²	139.3	87%	0.868	82%	0.816	S	S	*	*			trans	-105.4	119	-176.7	0	0	0	0	0	111.8
676	T	38.3	Very low	35.3	Very low	142 Å²	142	137.6 Å²	137.6	87%	0.871	82%	0.815	S	S	*	*			trans	-147	133.6	167.2	-40.3	0	0	0	0	109.9
677	Q	34.3	Very low	35.3	Very low	163 Å²	163	135.6 Å²	135.6	76%	0.762	81%	0.809	S	S	*	*			trans	-85.1	157.1	171.3	-55.3	176.4	15.9	0	0	110.6
678	L	33.4	Very low	35.2	Very low	174 Å²	174	140.6 Å²	140.6	91%	0.911	81%	0.813	S	S	*	*			trans	-169	162.9	137.4	-105.2	164.5	0	0	0	111.6
679	Y	27.7	Very low	35.2	Very low	225 Å²	225	140.9 Å²	140.9	88%	0.882	80%	0.802	S	S	*	*			trans	-105.2	154	-164.6	-90.3	-105.4	0	0	0	114.7
680	G	34.2	Very low	34.7	Very low	68 Å²	68	145.3 Å²	145.3	70%	0.701	81%	0.806	S	S	*	*			trans	154.7	141.4	153.7	0	0	0	0	0	114.3
681	T	37.2	Very low	34.3	Very low	141 Å²	141	143.1 Å²	143.1	87%	0.865	80%	0.804	S	S	*	*			cis	-150	153.9	-11.2	46.5	0	0	0	0	109.7
682	V	31	Very low	34.3	Very low	131 Å²	131	145.3 Å²	145.3	79%	0.794	80%	0.803	S	S	*	*			trans	-105.1	132.9	179.2	179.6	0	0	0	0	110.7	R684	V682-R684 PolarHBondContact O-N 2.91Å
683	P	43.5	Very low	34.1	Very low	127 Å²	127	144.9 Å²	144.9	83%	0.825	81%	0.806	S	S	*	*			trans	-65.1	127.7	170.9	-21	33.7	0	0	0	112.3
684	R	34.9	Very low	33.9	Very low	231 Å²	231	141.3 Å²	141.3	87%	0.872	79%	0.793	S	S	*	*			trans	-91.8	151.3	179.4	-90.6	-176.7	166.3	169	-4.5	113.1	V682	V682-R684 PolarHBondContact O-N 2.91Å
685	H	35.7	Very low	33.8	Very low	170 Å²	170	144.2 Å²	144.2	79%	0.787	78%	0.784	S	S	*	*			trans	9.7	136.7	152.4	-65.6	-90.4	0	0	0	120.8
686	H	35.5	Very low	34.1	Very low	171 Å²	171	145.2 Å²	145.2	79%	0.792	78%	0.779	S	S	*	*			trans	-113.3	127	141.4	-146.2	-53.7	0	0	0	108.6
687	P	35.3	Very low	33.9	Very low	94 Å²	94	145.5 Å²	145.5	61%	0.61	77%	0.771	S	S	*	*			trans	-112.6	118.3	-175.8	35.8	-27.3	0	0	0	114.1
688	Y	35.1	Very low	34	Very low	213 Å²	213	141.6 Å²	141.6	84%	0.835	76%	0.755	S	S	*	*			trans	-164.5	143.3	160.8	-78.1	-74.4	0	0	0	108.1
689	S	32.6	Very low	34.2	Very low	89 Å²	89	137.1 Å²	137.1	62%	0.622	74%	0.735	S	S	*	*			cis	-167	119	-26.1	44.7	0	0	0	0	109.5
690	E	28.2	Very low	34.7	Very low	190 Å²	190	133.7 Å²	133.7	89%	0.888	73%	0.727	S	S	*	*			trans	65.4	158.5	156.5	-55.8	-178.5	143.7	0	0	120.9
691	S	28.5	Very low	34.8	Very low	122 Å²	122	134.1 Å²	134.1	85%	0.853	72%	0.72	S	S	*	*			trans	82.2	23.4	164.5	74.6	0	0	0	0	123
692	V	33.6	Very low	34.9	Very low	114 Å²	114	134 Å²	134	69%	0.691	71%	0.709	S	S	*	*			trans	-130.9	66.3	159	-162.7	0	0	0	0	113.1
693	V	32.3	Very low	35.2	Very low	140 Å²	140	133 Å²	133	85%	0.848	70%	0.697	S	S	*	*	S	Bend	trans	-132.6	69.1	168.7	-171.1	0	0	0	0	109.2
694	S	32.6	Very low	34.9	Very low	76 Å²	76	131.9 Å²	131.9	53%	0.531	69%	0.692	S	S	.	*	S	Bend	trans	-153.8	-37.3	173.5	-56.9	0	0	0	0	111.8	V696 Q697 D698	S694-V696 PolarHBondContact O-N 3.34Å; S694-Q697 PolarHBondContact O-N 3.19Å; S694-D698 PolarHBondContact O-N 3.02Å
695	E	33.2	Very low	35	Very low	142 Å²	142	129.5 Å²	129.5	66%	0.664	69%	0.688	S	S	*	*	H	α-helix	trans	-58.5	-14.2	-174.8	-162	171.6	-164.9	0	0	115.4	V699	E695-V699 WeakPolarHBondContact O-CG2 3Å
696	V	38.4	Very low	35	Very low	126 Å²	126	128.2 Å²	128.2	76%	0.764	68%	0.683	S	S	*	*	H	α-helix	trans	-87.3	-21.8	175.7	-171.1	0	0	0	0	112.6	S694	S694-V696 PolarHBondContact O-N 3.34Å
697	Q	34.2	Very low	35	Very low	149 Å²	149	129.4 Å²	129.4	70%	0.696	68%	0.681	S	S	*	*	H	α-helix	trans	-94.1	-31.6	179.1	-73.7	176.2	-33.1	0	0	112.4	S694 V699 Q700 S701	S694-Q697 PolarHBondContact O-N 3.19Å; Q697-V699 PolarHBondContact O-N 3.3Å; Q697-Q700 PolarHBondContact O-N 2.88Å; Q697-S701 PolarHBondContact O-N 3.49Å; Q697-S701 VanDerWaalsContact O-N 3.12Å
698	D	36.2	Very low	34.8	Very low	81 Å²	81	129.5 Å²	129.5	43%	0.433	69%	0.685	S	S	.	*	H	α-helix	trans	-60.6	-32.7	174	-78.3	-51.7	0	0	0	113.1	S694 Q700 S701 Q702	S694-D698 PolarHBondContact O-N 3.02Å; D698-Q700 VanDerWaalsContact C-N 3.3Å; D698-Q700 PolarHBondContact O-N 2.82Å; D698-S701 PolarHBondContact O-N 3.43Å; D698-S701 VanDerWaalsContact O-N 3.16Å; D698-Q702 WeakPolarHBondContact O-CB 3.47Å; D698-Q702 WeakPolarHBondContact O-CG 3.42Å; D698-Q702 PolarHBondContact O-N 2.75Å
699	V	39.1	Very low	34.8	Very low	79 Å²	79	127.5 Å²	127.5	48%	0.479	69%	0.688	S	S	.	*	H	α-helix	trans	-63.3	-34.1	177.9	177.6	0	0	0	0	112	E695 Q697 M703	E695-V699 WeakPolarHBondContact O-CG2 3Å; Q697-V699 PolarHBondContact O-N 3.3Å; V699-M703 HydrophobicContact CG1-CE 3.86Å; V699-M703 VanDerWaalsContact O-CG 3.29Å; V699-M703 WeakPolarHBondContact O-CG 3.36Å
700	Q	37.1	Very low	34.7	Very low	153 Å²	153	126.1 Å²	126.1	72%	0.715	69%	0.688	S	S	*	*	H	α-helix	trans	-79.8	-34.4	172.8	-68.9	-173.2	-72.6	0	0	112.2	Q697 D698	Q697-Q700 PolarHBondContact O-N 2.88Å; D698-Q700 VanDerWaalsContact C-N 3.3Å; D698-Q700 PolarHBondContact O-N 2.82Å
701	S	37.1	Very low	34.8	Very low	78 Å²	78	124.4 Å²	124.4	55%	0.545	69%	0.69	S	S	.	*	H	α-helix	trans	-68.5	-36.5	-179.8	-155.9	0	0	0	0	112.9	Q697 D698	Q697-S701 PolarHBondContact O-N 3.49Å; Q697-S701 VanDerWaalsContact O-N 3.12Å; D698-S701 PolarHBondContact O-N 3.43Å; D698-S701 VanDerWaalsContact O-N 3.16Å
702	Q	39.6	Very low	34.7	Very low	137 Å²	137	122.8 Å²	122.8	64%	0.64	68%	0.684	S	S	*	*	H	α-helix	trans	-75.6	-35.5	177.3	-67.7	-178.5	28.1	0	0	112.9	D698 S704 K705	D698-Q702 WeakPolarHBondContact O-CB 3.47Å; D698-Q702 WeakPolarHBondContact O-CG 3.42Å; D698-Q702 PolarHBondContact O-N 2.75Å; Q702-S704 PolarHBondContact O-N 2.88Å; Q702-K705 PolarHBondContact O-N 3.13Å
703	M	36.1	Very low	34.5	Very low	111 Å²	111	124.9 Å²	124.9	55%	0.547	69%	0.692	S	S	.	*	H	α-helix	trans	-67.4	-22.4	178.7	-73	-177.1	-173.9	0	0	113.7	V699 K705	V699-M703 HydrophobicContact CG1-CE 3.86Å; V699-M703 VanDerWaalsContact O-CG 3.29Å; V699-M703 WeakPolarHBondContact O-CG 3.36Å; M703-K705 VanDerWaalsContact C-N 3.3Å; M703-K705 PolarHBondContact O-N 3.18Å
704	S	36.8	Very low	34.3	Very low	103 Å²	103	123.6 Å²	123.6	72%	0.72	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	8	-177.2	-150.2	0	0	0	0	114.9	Q702	Q702-S704 PolarHBondContact O-N 2.88Å
705	K	37.3	Very low	34.2	Very low	182 Å²	182	127.1 Å²	127.1	79%	0.791	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.5	13.9	-179.5	-75.2	-172.3	175.6	179.3	0	115.2	Q702 M703	Q702-K705 PolarHBondContact O-N 3.13Å; M703-K705 VanDerWaalsContact C-N 3.3Å; M703-K705 PolarHBondContact O-N 3.18Å
706	Q	36	Very low	34	Very low	143 Å²	143	125.1 Å²	125.1	67%	0.668	70%	0.702	S	S	*	*	S	Bend	trans	-124.7	13.7	-179.7	-60	-163.9	-76.3	0	0	114.6
707	Y	35.5	Very low	33.6	Very low	195 Å²	195	130.2 Å²	130.2	77%	0.765	71%	0.71	S	S	*	*	S	Bend	trans	-114.6	36.1	179.7	-73.4	-79.1	0	0	0	113.3
708	S	32.1	Very low	33.2	Very low	97 Å²	97	126.3 Å²	126.3	68%	0.678	71%	0.709	S	S	*	*	S	Bend	trans	-154.9	62	173.7	65.6	0	0	0	0	112.2
709	D	35.2	Very low	32.8	Very low	170 Å²	170	128.1 Å²	128.1	91%	0.909	73%	0.728	S	S	*	*			trans	-171	149.3	143.1	-100.3	-28.3	0	0	0	111.1
710	G	30.1	Very low	32.4	Very low	60 Å²	60	129.5 Å²	129.5	62%	0.619	74%	0.736	S	S	*	*			trans	-89.8	-169.4	168.4	0	0	0	0	0	112.1
711	V	29.3	Very low	31.9	Very low	154 Å²	154	129.8 Å²	129.8	93%	0.933	74%	0.743	S	S	*	*	S	Bend	trans	75.8	141.6	-178.5	-170	0	0	0	0	113.8	N713	V711-N713 PolarHBondContact O-N 3.26Å
712	A	27.4	Very low	31.5	Very low	89 Å²	89	127.7 Å²	127.7	74%	0.736	73%	0.725	S	S	*	*			trans	-69.4	127.3	-171.1	0	0	0	0	0	113.2
713	N	29.7	Very low	30.9	Very low	157 Å²	157	125.3 Å²	125.3	84%	0.84	72%	0.723	S	S	*	*			trans	-150.3	144.8	149.6	-104.3	-42	0	0	0	111.1	V711	V711-N713 PolarHBondContact O-N 3.26Å
714	S	27.7	Very low	30.5	Very low	113 Å²	113	124 Å²	124	79%	0.79	71%	0.712	S	S	*	*			trans	-79.9	127.2	174.5	52.8	0	0	0	0	110.6
715	L	29.8	Very low	30.1	Very low	151 Å²	151	126.5 Å²	126.5	79%	0.791	72%	0.718	S	S	*	*			trans	-120.7	143.8	167.2	-76.1	173	0	0	0	111.3
716	S	29.2	Very low	29.7	Very low	99 Å²	99	123.3 Å²	123.3	69%	0.692	71%	0.709	S	S	*	*			trans	-94.4	167.5	-173.2	-171.9	0	0	0	0	111.4
717	Y	29.4	Very low	29.2	Very low	234 Å²	234	125.8 Å²	125.8	92%	0.918	72%	0.721	S	S	*	*			trans	160.9	133.9	130.3	-94.9	-75.8	0	0	0	109.3
718	G	26.6	Very low	28.8	Very low	66 Å²	66	120.7 Å²	120.7	68%	0.68	72%	0.719	S	S	*	*			cis	-169	143.8	-10.4	0	0	0	0	0	112.1
719	S	28.5	Very low	28.6	Very low	120 Å²	120	121.1 Å²	121.1	84%	0.839	72%	0.72	S	S	*	*	S	Bend	trans	-151.4	113.8	165.4	-174.7	0	0	0	0	107.5
720	V	30.6	Very low	28.3	Very low	107 Å²	107	122.3 Å²	122.3	65%	0.648	71%	0.713	S	S	*	*			trans	13.8	118.3	176.7	-168.2	0	0	0	0	117.7	T141 E722	T141-V720 HydrophobicContact CG2-CG1 3.7Å; V720-E722 PolarHBondContact O-N 2.66Å
721	N	26	Very low	28.6	Very low	159 Å²	159	122.5 Å²	122.5	85%	0.85	70%	0.7	S	S	*	*			trans	-58.6	116.6	171.6	-85.5	-15.1	0	0	0	112.6
722	E	29.1	Very low	28.7	Very low	35 Å²	35	121.9 Å²	121.9	16%	0.164	69%	0.691	C	S	.	*			trans	-134	114.4	155.5	-70.3	-155.8	163.5	0	0	110.7	Y137 R140 V720 Y724	Y137-E722 VanDerWaalsContact C-OE1 3.27Å; Y137-E722 WeakPolarHBondContact CA-OE1 3.32Å; R140-E722 HydrophobicContact CB-CB 4.46Å; R140-E722 HydrophobicContact CB-CG 3.8Å; R140-E722 WeakPolarHBondContact CB-OE1 3.43Å; R140-E722 WeakPolarHBondContact CD-OE2 3.13Å; V720-E722 PolarHBondContact O-N 2.66Å; E722-Y724 HydrophobicContact CB-CD2 3.95Å; E722-Y724 HydrophobicContact CB-CE2 3.47Å; E722-Y724 VanDerWaalsContact CB-CE2 3.47Å; E722-Y724 HydrophobicContact CG-CE2 4.41Å; E722-Y724 WeakPolarHBondContact O-CD2 3.35Å; E722-Y724 PolarHBondContact O-N 3.45Å; E722-Y724 WeakPolarHBondContact OE2-CE2 3.45Å; E722-Y724 VanDerWaalsContact OE2-CZ 3.26Å; E722-Y724 PolarHBondContact OE2-OH 3.25Å
723	S	25.9	Very low	29.3	Very low	87 Å²	87	120.3 Å²	120.3	61%	0.608	67%	0.667	S	S	*	*			trans	-76	77.1	-176	48.4	0	0	0	0	113.3	R140 D725	R140-S723 VanDerWaalsContact CZ-O 3.24Å; R140-S723 VanDerWaalsContact NH1-N 3.19Å; R140-S723 PolarHBondContact NH1-O 2.84Å; R140-S723 PolarHBondContact NH1-OG 3.2Å; R140-S723 PolarHBondContact NH2-O 2.68Å; S723-D725 VanDerWaalsContact C-N 3.32Å; S723-D725 PolarHBondContact O-N 2.74Å
724	Y	28.8	Very low	29.5	Very low	82 Å²	82	116.1 Å²	116.1	32%	0.322	65%	0.647	S	S	.	*			trans	-75.8	80.7	175.6	-75.3	-79.9	0	0	0	112.9	Q136 E722 N726	Q136-Y724 HydrophobicContact CB-CE1 4.4Å; Q136-Y724 WeakPolarHBondContact CB-OH 3.35Å; Q136-Y724 PolarHBondContact O-OH 3.04Å; E722-Y724 HydrophobicContact CB-CD2 3.95Å; E722-Y724 HydrophobicContact CB-CE2 3.47Å; E722-Y724 VanDerWaalsContact CB-CE2 3.47Å; E722-Y724 HydrophobicContact CG-CE2 4.41Å; E722-Y724 WeakPolarHBondContact O-CD2 3.35Å; E722-Y724 PolarHBondContact O-N 3.45Å; E722-Y724 WeakPolarHBondContact OE2-CE2 3.45Å; E722-Y724 VanDerWaalsContact OE2-CZ 3.26Å; E722-Y724 PolarHBondContact OE2-OH 3.25Å; Y724-N726 PolarHBondContact O-N 3.41Å
725	D	27.5	Very low	29.6	Very low	157 Å²	157	115.6 Å²	115.6	84%	0.84	64%	0.635	S	S	*	*			trans	-63.4	80.6	146.6	-73.9	-52.2	0	0	0	108.9	S723	S723-D725 VanDerWaalsContact C-N 3.32Å; S723-D725 PolarHBondContact O-N 2.74Å
726	N	28.6	Very low	29.6	Very low	114 Å²	114	117.3 Å²	117.3	61%	0.61	63%	0.632	S	S	*	*			trans	-152.1	105.8	166.5	-104.7	-35.1	0	0	0	107.7	Y724 A728	Y724-N726 PolarHBondContact O-N 3.41Å; N726-A728 PolarHBondContact O-N 3.45Å
727	E	25.7	Very low	29.6	Very low	196 Å²	196	123.7 Å²	123.7	92%	0.916	64%	0.641	S	S	*	*			trans	-69.2	72.1	169.3	-68.4	-168.2	142.6	0	0	110.1	P729	E727-P729 WeakPolarHBondContact O-CD 3.32Å
728	A	27.8	Very low	29.8	Very low	87 Å²	87	121 Å²	121	72%	0.719	64%	0.637	S	S	*	*			trans	-65.8	107.9	157.2	0	0	0	0	0	106.2	N726 Y730	N726-A728 PolarHBondContact O-N 3.45Å; A728-Y730 PolarHBondContact O-N 3.21Å
729	P	27.9	Very low	29.9	Very low	106 Å²	106	123 Å²	123	69%	0.688	64%	0.64	S	S	*	*			trans	-62	137.7	-166.5	23.8	-33.8	0	0	0	110.3	E727 N731	E727-P729 WeakPolarHBondContact O-CD 3.32Å; P729-N731 PolarHBondContact O-N 2.59Å
730	Y	29.2	Very low	30.1	Very low	195 Å²	195	120.7 Å²	120.7	77%	0.765	64%	0.635	S	S	*	*			trans	-45.9	118.9	163.3	-157.1	-86.9	0	0	0	107	A728 D732	A728-Y730 PolarHBondContact O-N 3.21Å; Y730-D732 PolarHBondContact O-N 2.62Å; Y730-D732 VanDerWaalsContact O-N 3.07Å
731	N	36	Very low	30.2	Very low	65 Å²	65	124.9 Å²	124.9	35%	0.348	64%	0.644	S	S	.	*			trans	-56.5	124	-168.6	-91.9	-98.7	0	0	0	108.7	P729 Y733	P729-N731 PolarHBondContact O-N 2.59Å; N731-Y733 HydrophobicContact CB-CD2 4.08Å; N731-Y733 HydrophobicContact CB-CE2 4.03Å; N731-Y733 WeakPolarHBondContact O-CD2 3.27Å; N731-Y733 PolarHBondContact O-N 2.99Å
732	D	31.2	Very low	30.4	Very low	141 Å²	141	120.8 Å²	120.8	75%	0.754	64%	0.64	S	S	*	*			trans	-72.4	67	-171.6	-123.1	-25.3	0	0	0	111.2	Y730 V734	Y730-D732 PolarHBondContact O-N 2.62Å; Y730-D732 VanDerWaalsContact O-N 3.07Å; D732-V734 WeakPolarHBondContact O-CG2 3.38Å; D732-V734 PolarHBondContact O-N 3.03Å; D732-V734 VanDerWaalsContact O-N 3.12Å
733	Y	40	Very low	30.6	Very low	56 Å²	56	127.7 Å²	127.7	22%	0.22	67%	0.669	C	S	.	*			trans	-68	99.1	159.2	-74.8	-75.2	0	0	0	106	F493 F563 F592 N731 N735	F493-Y733 PolarHBondContact O-OH 2.77Å; F563-Y733 WeakPolarHBondContact O-CE1 3.33Å; F592-Y733 HydrophobicContact CD1-CD1 4.1Å; F592-Y733 HydrophobicContact CD1-CE1 4.22Å; F592-Y733 AromaticContact CE1-CD1 3.89Å; F592-Y733 HydrophobicContact CE1-CD1 3.89Å; F592-Y733 HydrophobicContact CE1-CE1 4.25Å; F592-Y733 HydrophobicContact CE1-CG 4.41Å; N731-Y733 HydrophobicContact CB-CD2 4.08Å; N731-Y733 HydrophobicContact CB-CE2 4.03Å; N731-Y733 WeakPolarHBondContact O-CD2 3.27Å; N731-Y733 PolarHBondContact O-N 2.99Å; Y733-N735 VanDerWaalsContact C-N 3.3Å; Y733-N735 PolarHBondContact O-N 2.81Å
734	V	33.3	Very low	30.9	Very low	69 Å²	69	129.4 Å²	129.4	42%	0.418	68%	0.678	S	S	.	*			trans	-61.7	80.3	-158.7	-172.6	0	0	0	0	113.3	D732 Y736	D732-V734 WeakPolarHBondContact O-CG2 3.38Å; D732-V734 PolarHBondContact O-N 3.03Å; D732-V734 VanDerWaalsContact O-N 3.12Å; V734-Y736 HydrophobicContact CG1-CD2 3.34Å; V734-Y736 HydrophobicContact CG1-CE2 3.71Å; V734-Y736 HydrophobicContact CG1-CG 4.22Å; V734-Y736 PolarHBondContact O-N 2.9Å
735	N	29.7	Very low	31.3	Very low	101 Å²	101	134 Å²	134	54%	0.54	70%	0.702	S	S	.	*			trans	-81	62.9	175.4	-85.1	-33.1	0	0	0	110.6	Y733 R737	Y733-N735 VanDerWaalsContact C-N 3.3Å; Y733-N735 PolarHBondContact O-N 2.81Å; N735-R737 PolarHBondContact O-N 2.96Å
736	Y	30.9	Very low	31.5	Very low	187 Å²	187	135.1 Å²	135.1	73%	0.733	70%	0.703	S	S	*	*			trans	-70.3	78.2	168.1	-87.8	-55.7	0	0	0	110.8	V734 H738	V734-Y736 HydrophobicContact CG1-CD2 3.34Å; V734-Y736 HydrophobicContact CG1-CE2 3.71Å; V734-Y736 HydrophobicContact CG1-CG 4.22Å; V734-Y736 PolarHBondContact O-N 2.9Å; Y736-H738 PolarHBondContact O-N 2.95Å
737	R	29.5	Very low	31.8	Very low	233 Å²	233	138.5 Å²	138.5	88%	0.879	72%	0.717	S	S	*	*			trans	-60.2	108.9	157.2	-83.3	-170.8	171.8	-171.2	-1.6	107.7	N735 S739	N735-R737 PolarHBondContact O-N 2.96Å; R737-S739 VanDerWaalsContact C-N 3.28Å; R737-S739 PolarHBondContact O-N 2.88Å
738	H	32.8	Very low	32.1	Very low	179 Å²	179	136.2 Å²	136.2	83%	0.829	71%	0.711	S	S	*	*			trans	-66.6	88.2	172.5	-80.6	-26.4	0	0	0	110.5	Y736 G740	Y736-H738 PolarHBondContact O-N 2.95Å; H738-G740 PolarHBondContact O-N 2.67Å
739	S	28.8	Very low	32.2	Very low	107 Å²	107	136.9 Å²	136.9	75%	0.748	71%	0.71	S	S	*	*			trans	-69.5	71.8	162	-172.2	0	0	0	0	109.1	R737 K741	R737-S739 VanDerWaalsContact C-N 3.28Å; R737-S739 PolarHBondContact O-N 2.88Å; S739-K741 PolarHBondContact O-N 2.56Å
740	G	32.3	Very low	32.6	Very low	71 Å²	71	139 Å²	139	73%	0.732	72%	0.72	S	S	*	*			trans	-68.8	92.2	177.8	0	0	0	0	0	110.2	H738 G742	H738-G740 PolarHBondContact O-N 2.67Å; G740-G742 PolarHBondContact O-N 2.91Å
741	K	33.8	Very low	32.8	Very low	195 Å²	195	135.1 Å²	135.1	85%	0.848	72%	0.717	S	S	*	*			trans	-63.6	106.8	171	-71.5	-173	176.2	-175.8	0	109.1	S739	S739-K741 PolarHBondContact O-N 2.56Å
742	G	28.8	Very low	32.7	Very low	73 Å²	73	137.5 Å²	137.5	75%	0.753	74%	0.739	S	S	*	*			trans	-60.9	143.8	175.1	0	0	0	0	0	112	G740	G740-G742 PolarHBondContact O-N 2.91Å
743	K	33.9	Very low	32.8	Very low	181 Å²	181	134.6 Å²	134.6	79%	0.787	74%	0.742	S	S	*	*			trans	-111.1	137.1	151.1	-83.2	-173	163.3	-159.7	0	107.4
744	P	32.2	Very low	32.6	Very low	122 Å²	122	137.5 Å²	137.5	79%	0.792	77%	0.77	S	S	*	*			trans	-76.7	143.3	158.7	33.8	-31.4	0	0	0	109.2
745	E	36.7	Very low	32.8	Very low	178 Å²	178	143.1 Å²	143.1	83%	0.832	79%	0.792	S	S	*	*			trans	-152	125	157.3	-130.4	156.1	-128.1	0	0	107.4
746	E	31.4	Very low	33	Very low	182 Å²	182	143 Å²	143	85%	0.85	80%	0.8	S	S	*	*			trans	-81.6	146.5	-178.5	-58.7	166.7	99.2	0	0	110.3
747	M	35.4	Very low	33.4	Very low	184 Å²	184	139 Å²	139	91%	0.906	80%	0.798	S	S	*	*			trans	-157.9	85.1	149.5	-108.1	-172.1	84.6	0	0	112.8
748	L	32.1	Very low	33.8	Very low	149 Å²	149	133.8 Å²	133.8	78%	0.78	79%	0.788	S	S	*	*			trans	38.5	108.6	134.1	-59.6	175.8	0	0	0	120.9
749	S	29.3	Very low	34.1	Very low	100 Å²	100	134.4 Å²	134.4	70%	0.699	79%	0.785	S	S	*	*				44.3	123.8	126.7	66	0	0	0	0	122.8
750	V	36.9	Very low	34.8	Very low	150 Å²	150	134.2 Å²	134.2	91%	0.909	78%	0.781	S	S	*	*			trans	-137.5	162.7	131.4	-178.6	0	0	0	0	108
751	T	34	Very low	35	Very low	115 Å²	115	136.5 Å²	136.5	71%	0.706	78%	0.775	S	S	*	*			trans	-116.2	165.9	-154.9	56.9	0	0	0	0	116.7
752	S	33	Very low	35.4	Very low	115 Å²	115	135.5 Å²	135.5	80%	0.804	78%	0.777	S	S	*	*			trans	65.2	127.8	140.1	58.9	0	0	0	0	121.5
753	G	34.9	Very low	35.9	Very low	79 Å²	79	138.6 Å²	138.6	81%	0.814	77%	0.772	S	S	*	*			trans	170.5	102.5	161.8	0	0	0	0	0	113.2
754	S	33.8	Very low	36.2	Very low	117 Å²	117	136.7 Å²	136.7	82%	0.818	77%	0.766	S	S	*	*			trans	-122.3	143.3	-179.9	-52.4	0	0	0	0	111.3
755	Q	38.9	Very low	36.6	Very low	187 Å²	187	134.1 Å²	134.1	87%	0.874	76%	0.761	S	S	*	*			trans	-172.4	118.1	138.9	-108.7	168.2	23.6	0	0	115.3
756	S	34.3	Very low	36.7	Very low	100 Å²	100	132.9 Å²	132.9	70%	0.699	76%	0.755	S	S	*	*			trans	47.1	148.5	132.9	58.6	0	0	0	0	125.5
757	S	38.2	Very low	37	Very low	101 Å²	101	131.2 Å²	131.2	71%	0.706	75%	0.752	S	S	*	*			trans	86.2	141.7	147.9	79.2	0	0	0	0	120.9
758	D	39.1	Very low	37.2	Very low	125 Å²	125	127.2 Å²	127.2	67%	0.668	74%	0.735	S	S	*	*			cis	-167.6	152	-25.7	-108	-28.3	0	0	0	114.3
759	Y	37.5	Very low	37.5	Very low	191 Å²	191	130.3 Å²	130.3	75%	0.749	74%	0.736	S	S	*	*			trans	58.5	167	150.1	-70.6	-51.5	0	0	0	122.9
760	P	45.3	Very low	37.9	Very low	104 Å²	104	134.7 Å²	134.7	68%	0.675	74%	0.742	S	S	*	*			cis	-137.9	144	-32.8	33.7	-15.2	0	0	0	117.4
761	I	35.8	Very low	37.9	Very low	119 Å²	119	131.2 Å²	131.2	61%	0.61	74%	0.737	S	S	*	*				38.7	128.3	123.8	-50.8	169.2	0	0	0	121.6	Q763	I761-Q763 HydrophobicContact CG2-CG 3.54Å
762	I	42.7	Very low	37.9	Very low	173 Å²	173	137.4 Å²	137.4	89%	0.887	75%	0.747	S	S	*	*			trans	-130.2	150	132.6	-67	-173.4	0	0	0	108.7
763	Q	38.9	Very low	37.9	Very low	139 Å²	139	140.1 Å²	140.1	65%	0.65	75%	0.747	S	S	*	*			trans	-112.3	-172	-173.6	-48.8	167.4	-58.2	0	0	110.3	I761	I761-Q763 HydrophobicContact CG2-CG 3.54Å
764	H	39.3	Very low	38.1	Very low	141 Å²	141	141.8 Å²	141.8	65%	0.653	74%	0.743	S	S	*	*			cis	-162.3	157.1	10.9	-138.9	-58.4	0	0	0	110.7
765	G	41.8	Very low	37.9	Very low	67 Å²	67	140.6 Å²	140.6	69%	0.691	74%	0.735	S	S	*	*			trans	106.7	135.3	151.7	0	0	0	0	0	117.3
766	Q	37.7	Very low	37.7	Very low	153 Å²	153	139.6 Å²	139.6	72%	0.715	73%	0.731	S	S	*	*			cis	173.2	161.4	-34.2	-110	-174.2	-25.4	0	0	106.5
767	N	38.4	Very low	37.7	Very low	146 Å²	146	141.6 Å²	141.6	78%	0.781	73%	0.732	S	S	*	*			trans	80.5	140	166.6	-52.4	-29.8	0	0	0	118.8
768	D	38.6	Very low	37.3	Very low	101 Å²	101	141 Å²	141	54%	0.54	73%	0.727	S	S	.	*			cis	-163.6	160.7	-27	-170.5	18.6	0	0	0	109.4
769	R	39.8	Very low	37	Very low	213 Å²	213	142.3 Å²	142.3	80%	0.804	74%	0.735	S	S	*	*			trans	72.9	151	161.3	-47.8	-170.6	-176.1	-178.8	0.1	120.3
770	K	37.7	Very low	36.7	Very low	192 Å²	192	138 Å²	138	84%	0.835	73%	0.733	S	S	*	*			cis	-172.8	131.6	-44.5	-118.9	168.6	-178.2	168.1	0	111.3
771	G	36.3	Very low	36.4	Very low	77 Å²	77	141 Å²	141	79%	0.794	74%	0.741	S	S	*	*			trans	88.2	156.5	161.5	0	0	0	0	0	116.4
772	R	34.8	Very low	36.1	Very low	245 Å²	245	142.6 Å²	142.6	93%	0.925	75%	0.751	S	S	*	*			cis	-155.1	137.2	-7	-160	-166.1	-84.1	-161.8	-5.1	110.7
773	H	32	Very low	35.9	Very low	172 Å²	172	141.4 Å²	141.4	80%	0.796	74%	0.742	S	S	*	*			trans	-77.7	178	166.2	-109	-113.6	0	0	0	110.7
774	P	39.3	Very low	35.8	Very low	114 Å²	114	144.8 Å²	144.8	74%	0.74	75%	0.748	S	S	*	*			cis	-133.4	-168.4	15.9	42.2	-22.8	0	0	0	116.1
775	S	30.8	Very low	35.6	Very low	92 Å²	92	149.1 Å²	149.1	64%	0.643	76%	0.759	S	S	*	*			trans	-69.1	157.7	174.4	48.5	0	0	0	0	115.3
776	E	32.9	Very low	35.7	Very low	167 Å²	167	152.2 Å²	152.2	78%	0.78	77%	0.767	S	S	*	*				-175.6	163.2	109.4	-107.7	177.3	-151.9	0	0	116.1
777	I	34.2	Very low	35.7	Very low	142 Å²	142	152.3 Å²	152.3	73%	0.728	77%	0.772	S	S	*	*			trans	71	112.8	156.5	-66.4	157.3	0	0	0	120.4
778	S	30.1	Very low	35.5	Very low	87 Å²	87	150.1 Å²	150.1	61%	0.608	77%	0.769	S	S	*	*			trans	-13.9	143.2	157.8	58.7	0	0	0	0	119.6
779	N	34	Very low	35.9	Very low	154 Å²	154	151.2 Å²	151.2	82%	0.824	78%	0.781	S	S	*	*				-163	175.8	76.1	-99.7	-57.6	0	0	0	115.5
780	S	30.2	Very low	35.6	Very low	101 Å²	101	148.6 Å²	148.6	71%	0.706	78%	0.781	S	S	*	*			trans	-81.1	154.1	-172.9	56.3	0	0	0	0	115.5
781	I	38.6	Very low	35.5	Very low	167 Å²	167	150.3 Å²	150.3	86%	0.856	78%	0.784	S	S	*	*			trans	-159.3	143.4	140.1	-102.7	150.9	0	0	0	108.8
782	N	30.5	Very low	35.5	Very low	152 Å²	152	150.5 Å²	150.5	81%	0.813	78%	0.778	S	S	*	*			trans	-100.6	140.1	177.5	-59.2	-76.4	0	0	0	110.4
783	E	38.1	Very low	35.3	Very low	148 Å²	148	146.1 Å²	146.1	69%	0.692	77%	0.773	S	S	*	*			trans	-162.3	154.2	148	-75.4	-136	156.9	0	0	109.9
784	R	36.3	Very low	35.6	Very low	209 Å²	209	143.3 Å²	143.3	79%	0.789	77%	0.768	S	S	*	*			cis	-149.6	150.9	-38.1	-87.9	-174.6	-156	-140	1.8	106.6
785	R	34.8	Very low	35.2	Very low	232 Å²	232	147 Å²	147	88%	0.875	77%	0.772	S	S	*	*			trans	-126.2	136.6	160.5	-88.4	-174.6	173.2	171.6	-1.5	109.1
786	P	45	Very low	35.6	Very low	133 Å²	133	148.9 Å²	148.9	86%	0.864	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-66.6	150.1	176.8	-21.9	34.4	0	0	0	113.1
787	N	36.6	Very low	35.5	Very low	155 Å²	155	149.2 Å²	149.2	83%	0.829	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-95.3	152.1	-174.7	-66.4	-56.1	0	0	0	113
788	S	34.8	Very low	35.7	Very low	100 Å²	100	154.4 Å²	154.4	70%	0.699	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-77.7	144.5	155.5	47.7	0	0	0	0	110.5
789	P	47.8	Very low	35.8	Very low	123 Å²	123	158.4 Å²	158.4	80%	0.799	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-73.9	134.9	-178.7	28.9	-34	0	0	0	112
790	I	34	Very low	36	Very low	158 Å²	158	160.6 Å²	160.6	81%	0.81	80%	0.803	S	S	*	*			trans	-106.3	118.2	172.9	-61.8	171.2	0	0	0	108
791	Y	34	Very low	36.3	Very low	229 Å²	229	163.6 Å²	163.6	90%	0.898	80%	0.803	S	S	*	*			trans	-85	124.5	166.9	-99.6	-88.1	0	0	0	110.8
792	A	36.7	Very low	36.2	Very low	80 Å²	80	161.7 Å²	161.7	66%	0.661	79%	0.79	S	S	*	*			trans	-85.1	139.1	-179	0	0	0	0	0	111.7	T794	A792-T794 HydrophobicContact CB-CG2 4.46Å
793	N	30.8	Very low	36.5	Very low	154 Å²	154	162.6 Å²	162.6	82%	0.824	79%	0.789	S	S	*	*			trans	-111.9	88.4	176.6	-167	-24.6	0	0	0	109.8
794	T	38.1	Very low	36.3	Very low	112 Å²	112	161.3 Å²	161.3	69%	0.687	79%	0.787	S	S	*	*			trans	-94.3	101.9	-172.5	51.1	0	0	0	0	112.5	A792	A792-T794 HydrophobicContact CB-CG2 4.46Å
795	K	30.6	Very low	36.4	Very low	192 Å²	192	159.6 Å²	159.6	84%	0.835	79%	0.788	S	S	*	*			trans	-78.8	119.8	164.4	-72	-174.8	176.3	-177.9	0	110.8
796	T	38.7	Very low	36.3	Very low	132 Å²	132	153 Å²	153	81%	0.81	78%	0.777	S	S	*	*			trans	-119.6	99.6	174	41	0	0	0	0	111.3
797	H	32.3	Very low	35.8	Very low	174 Å²	174	151.8 Å²	151.8	81%	0.806	77%	0.772	S	S	*	*			trans	-77.9	137.8	163.8	-87.6	-80.7	0	0	0	110.4
798	R	36.9	Very low	35.8	Very low	250 Å²	250	150 Å²	150	94%	0.943	77%	0.767	S	S	*	*			trans	-144.1	130.4	155.4	-119.8	176.5	-178.9	179.3	0.2	110.9
799	H	33.8	Very low	35.7	Very low	172 Å²	172	152.3 Å²	152.3	80%	0.796	77%	0.772	S	S	*	*			trans	-104.5	141.9	177.1	-80.5	-82.4	0	0	0	111.2
800	K	37.7	Very low	34.9	Very low	200 Å²	200	152.1 Å²	152.1	87%	0.87	77%	0.768	S	S	*	*			trans	160	152	147.6	-96.2	178	176.8	-173.7	0	108.6
801	K	36.1	Very low	34.9	Very low	163 Å²	163	150 Å²	150	71%	0.709	76%	0.762	S	S	*	*			cis	-165.3	167.7	-27.2	-130.7	-166.6	167.4	-125.9	0	107
802	H	36.1	Very low	34.9	Very low	127 Å²	127	147.1 Å²	147.1	59%	0.588	76%	0.757	S	S	*	*			trans	-11.4	138.5	170.1	-48.6	-91.9	0	0	0	117.5
803	H	37.9	Very low	34.9	Very low	172 Å²	172	152 Å²	152	80%	0.796	77%	0.766	S	S	*	*				-148	-176.7	70	-103.9	-72.5	0	0	0	116.1
804	D	34.3	Very low	34.9	Very low	120 Å²	120	153.3 Å²	153.3	64%	0.642	77%	0.765	S	S	*	*			trans	-79.6	-170.6	-173	-41.6	-86.4	0	0	0	110.2
805	E	36.9	Very low	34.9	Very low	173 Å²	173	154.6 Å²	154.6	81%	0.808	77%	0.768	S	S	*	*			cis	-165.8	164	26.3	-152.6	163.7	-147.2	0	0	112.2
806	S	34.1	Very low	34.8	Very low	93 Å²	93	151.2 Å²	151.2	65%	0.65	76%	0.758	S	S	*	*			trans	52.2	114.5	148.9	61.8	0	0	0	0	123.8
807	S	34.3	Very low	34.5	Very low	108 Å²	108	155.2 Å²	155.2	76%	0.755	76%	0.76	S	S	*	*				102.7	135.1	110	-69.5	0	0	0	0	125.3
808	T	36.9	Very low	34.4	Very low	119 Å²	119	151.4 Å²	151.4	73%	0.73	75%	0.753	S	S	*	*			trans	77.2	96.2	139.1	47.8	0	0	0	0	124.5
809	N	31	Very low	34.1	Very low	147 Å²	147	150.5 Å²	150.5	79%	0.786	75%	0.751	S	S	*	*				61.5	128.4	96.5	-78.5	1.9	0	0	0	124.5
810	T	31.2	Very low	34	Very low	119 Å²	119	145.9 Å²	145.9	73%	0.73	75%	0.75	S	S	*	*				107.6	141.7	118.9	-75.2	0	0	0	0	122.2
811	V	34.7	Very low	34.2	Very low	113 Å²	113	141.7 Å²	141.7	69%	0.685	74%	0.743	S	S	*	*			trans	70.2	127.2	166.1	153.7	0	0	0	0	116.2
812	Q	32.8	Very low	34	Very low	169 Å²	169	141.1 Å²	141.1	79%	0.79	75%	0.748	S	S	*	*			cis	101.4	112.2	27.6	-79.7	-171.2	14.9	0	0	114.4
813	Q	37.1	Very low	33.9	Very low	182 Å²	182	141.6 Å²	141.6	85%	0.85	76%	0.76	S	S	*	*			trans	173.1	127.5	137.4	-93.2	158.6	26.1	0	0	106.6
814	K	31.5	Very low	33.6	Very low	183 Å²	183	144.1 Å²	144.1	80%	0.796	76%	0.763	S	S	*	*				53.4	120.8	70.5	-80.1	-168.8	172.6	-175.2	0	111.8
815	D	37	Very low	33.6	Very low	139 Å²	139	145.2 Å²	145.2	74%	0.743	77%	0.767	S	S	*	*				-152.3	-165.8	66	-105.4	-31.1	0	0	0	115.9
816	N	29.6	Very low	33.5	Very low	120 Å²	120	141 Å²	141	64%	0.642	76%	0.757	S	S	*	*			trans	-103.9	-171.5	-163.3	-72.9	-60.6	0	0	0	115.3
817	Y	32.9	Very low	33.5	Very low	216 Å²	216	143.2 Å²	143.2	85%	0.847	76%	0.761	S	S	*	*			trans	85.4	151.8	160.2	-49.8	-68.8	0	0	0	117.1
818	S	29	Very low	33.7	Very low	94 Å²	94	146 Å²	146	66%	0.657	77%	0.767	S	S	*	*			cis	-169.4	150.3	-27.1	-173.1	0	0	0	0	110.2
819	Y	30.3	Very low	33.7	Very low	231 Å²	231	145.3 Å²	145.3	91%	0.906	77%	0.767	S	S	*	*			trans	18.7	131.7	158.1	-81.7	-103.4	0	0	0	122
820	G	33.1	Very low	34.2	Very low	75 Å²	75	144.1 Å²	144.1	77%	0.773	77%	0.77	S	S	*	*			trans	172.5	110.2	156.8	0	0	0	0	0	116.1
821	P	42	Very low	34.5	Very low	112 Å²	112	143.3 Å²	143.3	73%	0.727	77%	0.77	S	S	*	*			trans	-106.8	171.4	177.5	39.1	-33.4	0	0	0	114.7
822	N	30.7	Very low	34.8	Very low	151 Å²	151	145.7 Å²	145.7	81%	0.807	77%	0.773	S	S	*	*			trans	69.3	103.9	163.5	-60.2	-32.9	0	0	0	119.7
823	T	35.2	Very low	35.2	Very low	138 Å²	138	146.2 Å²	146.2	85%	0.847	77%	0.772	S	S	*	*				-172.3	136.9	117.7	28.8	0	0	0	0	107.8
824	R	30.8	Very low	35.4	Very low	224 Å²	224	143.2 Å²	143.2	85%	0.845	77%	0.769	S	S	*	*			cis	95	144	40.5	-159.1	-173.4	-162.3	-167.1	6.9	111.4
825	I	35.2	Very low	36.3	Very low	144 Å²	144	140.6 Å²	140.6	74%	0.738	77%	0.77	S	S	*	*			trans	80.7	110.1	179.2	-53.2	173.8	0	0	0	111.6
826	S	33.8	Very low	36.4	Very low	85 Å²	85	141.2 Å²	141.2	59%	0.594	78%	0.779	S	S	*	*			cis	81.8	138	37.1	89.7	0	0	0	0	113
827	N	34.8	Very low	37.1	Very low	138 Å²	138	139 Å²	139	74%	0.738	79%	0.785	S	S	*	*			cis	-151.9	178.1	17.5	-81.6	-61.4	0	0	0	111.7
828	L	38.7	Very low	37.2	Very low	168 Å²	168	132.3 Å²	132.3	88%	0.88	78%	0.782	S	S	*	*			trans	115	147.5	138.6	-59	178.4	0	0	0	116.2
829	S	37.4	Very low	37.8	Very low	104 Å²	104	134.8 Å²	134.8	73%	0.727	79%	0.792	S	S	*	*			cis	-172.8	128.1	-31.7	-174.6	0	0	0	0	110.5
830	S	40.5	Very low	38.7	Very low	121 Å²	121	129.1 Å²	129.1	85%	0.846	78%	0.784	S	S	*	*			trans	-172.2	159.8	145	54.6	0	0	0	0	110
831	S	37.1	Very low	39.1	Very low	103 Å²	103	131.4 Å²	131.4	72%	0.72	78%	0.782	S	S	*	*			trans	-158.8	-170.1	-166.9	-160.4	0	0	0	0	112.8
832	H	41.3	Very low	38.9	Very low	163 Å²	163	135.8 Å²	135.8	76%	0.755	79%	0.79	S	S	*	*			trans	88.3	143.8	178	-55.2	-83.2	0	0	0	117.1
833	K	42.2	Very low	39.2	Very low	179 Å²	179	132.1 Å²	132.1	78%	0.778	79%	0.788	S	S	*	*			cis	178.1	132.1	-36.8	-116.7	-174	-176	-175.4	0	107.2
834	P	40.4	Very low	39.3	Very low	120 Å²	120	129 Å²	129	78%	0.779	78%	0.784	S	S	*	*			trans	-94.7	153	170.4	35.4	-32.6	0	0	0	113.1
835	P	51.3	Low	39.7	Very low	127 Å²	127	124.4 Å²	124.4	83%	0.825	78%	0.78	S	S	*	*			trans	-96.2	179	172.1	37.8	-33.8	0	0	0	113.6
836	V	38.4	Very low	39.7	Very low	152 Å²	152	125.1 Å²	125.1	92%	0.921	78%	0.782	S	S	*	*			trans	-136.2	145.9	-165.4	172.6	0	0	0	0	112.7
837	G	43.2	Very low	39.8	Very low	75 Å²	75	127.7 Å²	127.7	77%	0.773	79%	0.789	S	S	*	*			trans	169.2	144.6	160.9	0	0	0	0	0	111.9
838	G	36.3	Very low	40.1	Very low	75 Å²	75	126.1 Å²	126.1	77%	0.773	79%	0.786	S	S	*	*			cis	126.6	112.6	-12.3	0	0	0	0	0	114.8
839	V	41.5	Very low	39.8	Very low	145 Å²	145	126.8 Å²	126.8	88%	0.879	78%	0.782	S	S	*	*			trans	173.2	147.1	141	147.2	0	0	0	0	109.8
840	P	48.8	Very low	39.6	Very low	113 Å²	113	126.6 Å²	126.6	73%	0.734	78%	0.78	S	S	*	*			trans	-134.9	-128.2	-147.6	43.7	-23.8	0	0	0	114.7
841	V	41.1	Very low	39.5	Very low	122 Å²	122	129 Å²	129	74%	0.739	78%	0.778	S	S	*	*			trans	88.1	127.8	-175.6	-176.2	0	0	0	0	112.4
842	F	37.9	Very low	39.4	Very low	204 Å²	204	131.4 Å²	131.4	90%	0.895	78%	0.778	S	S	*	*			cis	-148.3	170.8	3.8	-133.3	-21.5	0	0	0	112.3
843	G	37	Very low	39	Very low	74 Å²	74	129 Å²	129	76%	0.763	77%	0.77	S	S	*	*			trans	83.9	169.5	165.4	0	0	0	0	0	116.8
844	G	36.8	Very low	38.6	Very low	73 Å²	73	127.8 Å²	127.8	75%	0.753	77%	0.767	S	S	*	*			cis	142.9	148.3	-13.4	0	0	0	0	0	114.8
845	V	39.8	Very low	38.2	Very low	127 Å²	127	130.3 Å²	130.3	77%	0.77	77%	0.768	S	S	*	*			cis	-151.6	116.8	-13.2	-174.8	0	0	0	0	110.1
846	M	35.7	Very low	37.2	Very low	159 Å²	159	128.1 Å²	128.1	78%	0.783	76%	0.761	S	S	*	*			trans	60.7	137.2	161.5	-62.3	169.7	72.7	0	0	119.5
847	L	35.7	Very low	37.1	Very low	140 Å²	140	126.6 Å²	126.6	73%	0.733	75%	0.748	S	S	*	*			cis	84.8	153.9	32.5	-69	167.8	0	0	0	114.8
848	P	40.6	Very low	36.7	Very low	104 Å²	104	132.7 Å²	132.7	68%	0.675	75%	0.748	S	S	*	*			cis	-140.3	152.2	-5.1	32.1	-10.2	0	0	0	119.3
849	K	33	Very low	36.6	Very low	182 Å²	182	135.6 Å²	135.6	79%	0.791	75%	0.745	S	S	*	*				43.5	155.6	128	-54	-179.7	177.6	-179.9	0	125.9
850	S	33.3	Very low	36.3	Very low	100 Å²	100	136.3 Å²	136.3	70%	0.699	74%	0.736	S	S	*	*			trans	86.8	150.8	146	84	0	0	0	0	117.5
851	H	38.3	Very low	35.5	Very low	171 Å²	171	141 Å²	141	79%	0.792	74%	0.739	S	S	*	*			cis	-146.8	-177.9	3.3	-93.4	-75.5	0	0	0	108.7
852	H	34.5	Very low	35.2	Very low	155 Å²	155	139.6 Å²	139.6	72%	0.718	74%	0.735	S	S	*	*			cis	-170.6	-178.1	-49.7	-154.9	38.6	0	0	0	109.7
853	N	34.3	Very low	35	Very low	112 Å²	112	135.4 Å²	135.4	60%	0.599	72%	0.721	S	S	*	*			trans	69.3	130.6	168.6	-66.1	8.8	0	0	0	117.2
854	Q	32.5	Very low	34.9	Very low	154 Å²	154	139.4 Å²	139.4	72%	0.72	72%	0.72	S	S	*	*				80.1	139.7	60.5	-72.6	169.6	-14.1	0	0	112.6
855	E	31.5	Very low	34.7	Very low	172 Å²	172	143.2 Å²	143.2	80%	0.804	72%	0.723	S	S	*	*			cis	-151.1	142.4	6.2	-110.5	166.8	135.1	0	0	107.9
856	A	31.7	Very low	34.1	Very low	82 Å²	82	148.3 Å²	148.3	68%	0.678	73%	0.728	S	S	*	*				88.2	155.4	75.3	0	0	0	0	0	116.2
857	D	35.5	Very low	34	Very low	119 Å²	119	145.8 Å²	145.8	64%	0.636	72%	0.724	S	S	*	*			trans	66.6	153.8	174.7	-74.2	-32.9	0	0	0	118.1
858	R	34.4	Very low	33.7	Very low	204 Å²	204	146.1 Å²	146.1	77%	0.77	73%	0.726	S	S	*	*			cis	-164.8	160.1	-5.9	-104.8	159.2	-152.6	178.2	18.5	107.6
859	L	34.2	Very low	33.3	Very low	135 Å²	135	148.5 Å²	148.5	71%	0.707	73%	0.733	S	S	*	*			cis	-174.2	159.5	-29.5	-127.6	-172.9	0	0	0	109
860	K	36.4	Very low	33.3	Very low	161 Å²	161	144.8 Å²	144.8	70%	0.7	73%	0.729	S	S	*	*			trans	74.9	151.4	167.8	-58.8	160.1	-175.1	169.2	0	116
861	R	32.3	Very low	33.5	Very low	211 Å²	211	145.4 Å²	145.4	80%	0.796	73%	0.731	S	S	*	*			cis	-159.2	153.6	-3.7	-121.9	167.9	-176	173.5	-3.2	111.5
862	S	33.7	Very low	33.3	Very low	93 Å²	93	144.4 Å²	144.4	65%	0.65	73%	0.726	S	S	*	*			trans	25.6	147.4	131.9	-66.7	0	0	0	0	122.2
863	D	34.8	Very low	33.2	Very low	115 Å²	115	145 Å²	145	62%	0.615	73%	0.727	S	S	*	*			cis	-170.1	157.1	9.7	-117.9	22.9	0	0	0	113.1
864	Q	34.2	Very low	32.9	Very low	158 Å²	158	148.4 Å²	148.4	74%	0.738	74%	0.737	S	S	*	*			trans	60	156.6	149.2	-61.3	175.6	60.7	0	0	119.9
865	L	32.6	Very low	32.8	Very low	153 Å²	153	150.2 Å²	150.2	80%	0.801	74%	0.742	S	S	*	*			cis	-155.6	170.5	-23.7	-109.2	171.3	0	0	0	110.1
866	R	28	Very low	32.7	Very low	234 Å²	234	152 Å²	152	88%	0.883	75%	0.747	S	S	*	*			trans	-81.6	169.9	177.6	-89.7	-172.6	-171	-171.3	5.7	112.4
867	P	33.6	Very low	32.6	Very low	107 Å²	107	155 Å²	155	70%	0.695	75%	0.747	S	S	*	*			cis	-154.7	176.6	37.9	44.8	-23	0	0	0	121.4
868	L	28.8	Very low	32.2	Very low	147 Å²	147	157.8 Å²	157.8	77%	0.77	76%	0.757	S	S	*	*			trans	35	119.6	144.5	-65.7	163.5	0	0	0	119.7
869	N	31.5	Very low	31.9	Very low	154 Å²	154	157.4 Å²	157.4	82%	0.824	76%	0.756	S	S	*	*				-174.8	174.8	68.3	-106.6	-38.2	0	0	0	114.2
870	S	32.5	Very low	31.5	Very low	103 Å²	103	159.1 Å²	159.1	72%	0.72	76%	0.761	S	S	*	*			trans	-94.8	167	178.7	-151.9	0	0	0	0	112.9
871	P	37.6	Very low	31.2	Very low	113 Å²	113	156.2 Å²	156.2	73%	0.734	76%	0.76	S	S	*	*				-155.1	141.5	81.3	39.5	-18.6	0	0	0	119.5
872	H	35.5	Very low	31	Very low	151 Å²	151	153.5 Å²	153.5	70%	0.699	76%	0.757	S	S	*	*			trans	52	126.5	134.2	-80.9	-79	0	0	0	125.5
873	F	31.4	Very low	30.8	Very low	168 Å²	168	157.9 Å²	157.9	74%	0.737	77%	0.767	S	S	*	*				123	136.7	109.3	-108.4	-46.6	0	0	0	120.6
874	K	28.7	Very low	30.7	Very low	183 Å²	183	158.8 Å²	158.8	80%	0.796	77%	0.772	S	S	*	*			trans	77.9	93.2	152.3	-65.3	169.8	-170.7	167.8	0	118.7
875	K	30.5	Very low	31.2	Very low	192 Å²	192	157 Å²	157	84%	0.835	77%	0.768	S	S	*	*				-132.9	109.5	127.1	-144.8	166.5	-169	171.6	0	109.6	Q877	K875-Q877 PolarHBondContact O-N 3.11Å
876	K	28	Very low	32.5	Very low	210 Å²	210	154.9 Å²	154.9	91%	0.913	76%	0.757	S	S	*	*			trans	-72	123.4	164.9	-80.6	-174.8	173.2	-175.7	0	107
877	Q	30.6	Very low	34.5	Very low	143 Å²	143	147.5 Å²	147.5	67%	0.668	73%	0.732	S	S	*	*			trans	-109.7	142.7	154.2	-74.9	-164.9	-3.9	0	0	109.1	K875 Y879	K875-Q877 PolarHBondContact O-N 3.11Å; Q877-Y879 HydrophobicContact CB-CD2 4.45Å; Q877-Y879 HydrophobicContact CB-CE2 4.45Å
878	Q	26.3	Very low	36.6	Very low	179 Å²	179	145 Å²	145	84%	0.836	71%	0.712	S	S	*	*			trans	-113.3	83.4	-166.6	178.6	-179.8	-26.1	0	0	108.5
879	Y	28	Very low	38.3	Very low	195 Å²	195	139.9 Å²	139.9	77%	0.765	69%	0.686	S	S	*	*			trans	-96.2	95.9	171.5	-80.7	-78.4	0	0	0	109.9	Q877	Q877-Y879 HydrophobicContact CB-CD2 4.45Å; Q877-Y879 HydrophobicContact CB-CE2 4.45Å
880	H	26.4	Very low	40.2	Very low	172 Å²	172	134.5 Å²	134.5	80%	0.796	66%	0.659	S	S	*	*			trans	-90.7	110.9	161.7	-130.3	-34.9	0	0	0	106.5
881	S	29.7	Very low	41.9	Very low	100 Å²	100	133.9 Å²	133.9	70%	0.699	65%	0.651	S	S	*	*			trans	-138.7	124.3	175.9	-56.1	0	0	0	0	107.6
882	E	28	Very low	43.4	Very low	153 Å²	153	129.7 Å²	129.7	72%	0.715	62%	0.622	S	S	*	*			trans	-101.3	112.1	-169.4	-64.1	-176.7	102.2	0	0	111.5	N884	E882-N884 PolarHBondContact OE1-ND2 3.4Å; E882-N884 VanDerWaalsContact OE1-ND2 3.07Å
883	E	30.9	Very low	44.3	Very low	186 Å²	186	127.9 Å²	127.9	87%	0.869	62%	0.622	S	S	*	*			trans	-111.7	72.8	160.1	-72.2	-163.8	142.4	0	0	109.5	D885	E883-D885 PolarHBondContact O-N 3.49Å
884	N	31.8	Very low	45.1	Very low	133 Å²	133	123.6 Å²	123.6	71%	0.711	60%	0.604	S	S	*	*			trans	-80.4	53.1	-174	-87.3	-47.2	0	0	0	113.7	E882	E882-N884 PolarHBondContact OE1-ND2 3.4Å; E882-N884 VanDerWaalsContact OE1-ND2 3.07Å
885	D	44.4	Very low	45.7	Very low	122 Å²	122	120.3 Å²	120.3	65%	0.652	60%	0.595	S	S	*	*			trans	-96.7	103.2	178.6	-83.4	-32.4	0	0	0	113.9	K519 E883 E887	K519-D885 WeakPolarHBondContact CE-O 2.93Å; K519-D885 PolarHBondContact NZ-O 2.94Å; E883-D885 PolarHBondContact O-N 3.49Å; D885-E887 PolarHBondContact O-N 3.33Å; D885-E887 VanDerWaalsContact O-N 3.08Å
886	D	61.1	Low	46	Very low	107 Å²	107	120.7 Å²	120.7	57%	0.572	60%	0.597	S	S	*	*	S	Bend	trans	60	9.7	152.9	-89.3	-21	0	0	0	121.4	K582	K582-D886 IonicContact NZ-OD1 2.71Å; K582-D886 PolarHBondContact NZ-OD1 3.05Å
887	E	70.4	Confident	46.3	Very low	79 Å²	79	114.8 Å²	114.8	37%	0.369	58%	0.578	S	S	.	*			trans	-74.1	134.6	168.1	-168.2	177.7	158.8	0	0	112.1	R515 S517 K519 D885 T889	R515-E887 IonicContact CZ-OE1 3.34Å; R515-E887 IonicContact NE-OE1 2.7Å; R515-E887 IonicContact NH2-OE1 2.69Å; R515-E887 PolarHBondContact NH2-OE1 3.2Å; R515-E887 IonicContact NH2-OE2 2.64Å; S517-E887 WeakPolarHBondContact CB-OE1 3.42Å; S517-E887 PolarHBondContact OG-OE1 3.29Å; K519-E887 HydrophobicContact CB-CG 4.34Å; K519-E887 HydrophobicContact CD-CB 4.11Å; K519-E887 HydrophobicContact CG-CB 4.36Å; D885-E887 PolarHBondContact O-N 3.33Å; D885-E887 VanDerWaalsContact O-N 3.08Å; E887-T889 PolarHBondContact OE1-OG1 3Å
888	Q	76	Confident	46.1	Very low	56 Å²	56	114.8 Å²	114.8	26%	0.262	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.6	134.4	164.6	-61.1	-168.3	23.3	0	0	110.1	S517 Y518 W553	S517-Q888 CarbonylContact C-O 3.53Å; S517-Q888 WeakPolarHBondContact CA-O 3.12Å; S517-Q888 WeakPolarHBondContact CB-O 3.49Å; Y518-Q888 HydrophobicContact CD1-CB 3.91Å; Y518-Q888 HydrophobicContact CE1-CB 3.58Å; Y518-Q888 HydrophobicContact CE1-CG 3.84Å; Y518-Q888 PolarHBondContact N-O 2.83Å; Y518-Q888 PolarHBondContact O-N 2.92Å; Y518-Q888 VanDerWaalsContact O-N 3.14Å; Y518-Q888 PolarHBondContact OH-NE2 3.38Å; W553-Q888 HydrophobicContact CH2-CB 4.22Å; W553-Q888 HydrophobicContact CZ2-CB 3.98Å
889	T	64.6	Low	46.4	Very low	39 Å²	39	114.5 Å²	114.5	24%	0.239	58%	0.581	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-140.6	138.3	-170.9	-86.8	0	0	0	0	110.8	R515 S517 E887 T891	R515-T889 HydrophobicContact CG-CG2 4.16Å; R515-T889 VanDerWaalsContact CZ-OG1 3.31Å; R515-T889 PolarHBondContact NE-OG1 3.25Å; R515-T889 PolarHBondContact NH2-OG1 2.81Å; S517-T889 WeakPolarHBondContact CB-OG1 3.2Å; E887-T889 PolarHBondContact OE1-OG1 3Å; T889-T891 HydrophobicContact CG2-CG2 4.17Å
890	V	71.9	Confident	46.4	Very low	41 Å²	41	111.1 Å²	111.1	25%	0.248	58%	0.576	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.5	116.3	158.5	-167.8	0	0	0	0	108.8	R515 I516 W553 V557 L892	R515-V890 WeakPolarHBondContact CA-O 3.11Å; I516-V890 PolarHBondContact N-O 3.38Å; I516-V890 VanDerWaalsContact N-O 3.09Å; I516-V890 PolarHBondContact O-N 2.66Å; W553-V890 HydrophobicContact CZ2-CG2 3.77Å; V557-V890 HydrophobicContact CG1-CG2 4.02Å; V557-V890 HydrophobicContact CG2-CB 4.29Å; V557-V890 HydrophobicContact CG2-CG2 3.79Å; V890-L892 HydrophobicContact CB-CD2 4.41Å; V890-L892 HydrophobicContact CG1-CD2 3.89Å
891	T	69.1	Low	46.7	Very low	89 Å²	89	111.6 Å²	111.6	55%	0.546	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81	126	166.8	48.3	0	0	0	0	109.1	T889 T893	T889-T891 HydrophobicContact CG2-CG2 4.17Å; T891-T893 PolarHBondContact O-N 3.1Å
892	L	69.1	Low	46.6	Very low	26 Å²	26	118 Å²	118	14%	0.136	59%	0.589	C	S	.	*			trans	-94.6	93.5	-172.6	-55.2	176.6	0	0	0	109.4	V513 L514 I516 V890 E894	V513-L892 HydrophobicContact CB-CD1 4.42Å; V513-L892 HydrophobicContact CG1-CD1 3.99Å; V513-L892 WeakPolarHBondContact O-CD1 3.14Å; L514-L892 WeakPolarHBondContact O-CB 3.45Å; L514-L892 PolarHBondContact O-N 3.15Å; I516-L892 HydrophobicContact CD1-CD1 3.94Å; I516-L892 HydrophobicContact CG1-CD1 3.93Å; V890-L892 HydrophobicContact CB-CD2 4.41Å; V890-L892 HydrophobicContact CG1-CD2 3.89Å; L892-E894 PolarHBondContact O-N 3.08Å
893	T	52.4	Low	46.8	Very low	112 Å²	112	119.9 Å²	119.9	69%	0.687	60%	0.595	S	S	*	*			trans	-79.6	110.3	173.9	50.1	0	0	0	0	109.7	T891	T891-T893 PolarHBondContact O-N 3.1Å
894	E	50.1	Low	47	Very low	78 Å²	78	116.6 Å²	116.6	36%	0.364	59%	0.592	S	S	.	*			trans	-68.3	130.7	166.6	-60.8	-170.8	115.6	0	0	109.8	R528 R564 L892 K896	R528-E894 IonicContact CZ-OE2 3.06Å; R528-E894 IonicContact NH1-OE2 2.73Å; R528-E894 PolarHBondContact NH1-OE2 3.39Å; R528-E894 IonicContact NH2-OE2 3.74Å; R528-E894 PolarHBondContact NH2-OE2 3.43Å; R564-E894 IonicContact CZ-OE1 3.04Å; R564-E894 IonicContact NH2-OE1 3.86Å; R564-E894 PolarHBondContact NH2-OE1 3.21Å; L892-E894 PolarHBondContact O-N 3.08Å; E894-K896 PolarHBondContact O-N 3.02Å
895	D	41.2	Very low	46.9	Very low	114 Å²	114	115.9 Å²	115.9	61%	0.61	60%	0.598	S	S	*	*			trans	-64.6	102.4	169.8	-72.4	-42.3	0	0	0	109.3	V897	D895-V897 PolarHBondContact O-N 3.15Å
896	K	36.5	Very low	46.2	Very low	201 Å²	201	115.4 Å²	115.4	87%	0.874	60%	0.604	S	S	*	*			trans	-64.5	101.1	175	-72.9	-171.7	175.8	-175.2	0	109.7	E894 D898	E894-K896 PolarHBondContact O-N 3.02Å; K896-D898 PolarHBondContact O-N 3.3Å
897	V	33.4	Very low	45.1	Very low	85 Å²	85	119.1 Å²	119.1	52%	0.515	62%	0.615	S	S	.	*			trans	-63.7	127.5	170.7	178.6	0	0	0	0	109.1	D895 H899	D895-V897 PolarHBondContact O-N 3.15Å; V897-H899 VanDerWaalsContact C-N 3.34Å; V897-H899 PolarHBondContact O-N 3.49Å
898	D	26.8	Very low	43.6	Very low	144 Å²	144	124.3 Å²	124.3	77%	0.77	64%	0.639	S	S	*	*			trans	-69.4	84.1	179.3	-90.7	-46.7	0	0	0	112.1	K896 N900	K896-D898 PolarHBondContact O-N 3.3Å; D898-N900 PolarHBondContact O-N 2.58Å
899	H	31.6	Very low	41.3	Very low	172 Å²	172	133.1 Å²	133.1	80%	0.796	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	64.9	167.3	-76.7	-48.3	0	0	0	111.8	V897	V897-H899 VanDerWaalsContact C-N 3.34Å; V897-H899 PolarHBondContact O-N 3.49Å
900	N	30	Very low	40	Very low	125 Å²	125	140.1 Å²	140.1	67%	0.668	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.9	10.6	179.7	-105.9	-38.7	0	0	0	115.8	D898	D898-N900 PolarHBondContact O-N 2.58Å
901	Q	31.6	Very low	38.3	Very low	181 Å²	181	145.7 Å²	145.7	85%	0.846	72%	0.721	S	S	*	*	S	Bend	trans	-105.4	14.9	176.3	-68.7	-159.5	6	0	0	115.9
902	Y	27.9	Very low	36.4	Very low	234 Å²	234	149.4 Å²	149.4	92%	0.918	74%	0.736	S	S	*	*			trans	-132.5	75.2	169.5	-83.8	-76.7	0	0	0	113
903	K	32.4	Very low	34.8	Very low	193 Å²	193	156.4 Å²	156.4	84%	0.839	77%	0.768	S	S	*	*			trans	-111.3	98.4	156.8	-85.9	-177.9	176	170	0	109.2	S905	K903-S905 PolarHBondContact O-N 3.43Å
904	S	33.8	Very low	33.9	Very low	117 Å²	117	156.5 Å²	156.5	82%	0.818	77%	0.769	S	S	*	*			trans	-64.2	126.4	-179.9	-166.3	0	0	0	0	111	S906	S904-S906 PolarHBondContact O-N 2.71Å
905	S	29.9	Very low	33.1	Very low	118 Å²	118	158.8 Å²	158.8	83%	0.825	78%	0.784	S	S	*	*			trans	-75.6	121.8	176.1	-176.1	0	0	0	0	110.1	K903	K903-S905 PolarHBondContact O-N 3.43Å
906	S	31.3	Very low	32.8	Very low	113 Å²	113	159 Å²	159	79%	0.79	79%	0.785	S	S	*	*			trans	-153.8	63	176.9	-162.1	0	0	0	0	113	S904	S904-S906 PolarHBondContact O-N 2.71Å
907	K	38.1	Very low	32.5	Very low	184 Å²	184	159.3 Å²	159.3	80%	0.8	78%	0.782	S	S	*	*			trans	-147.8	81.6	165.1	-73.5	-162.5	178.8	-175.9	0	112.5
908	H	36.9	Very low	32.3	Very low	188 Å²	188	160.2 Å²	160.2	87%	0.87	79%	0.792	S	S	*	*				169.7	136	111.2	-91.6	-66.3	0	0	0	112.2
909	R	29.2	Very low	32.6	Very low	242 Å²	242	157.5 Å²	157.5	91%	0.913	79%	0.79	S	S	*	*			trans	-123.7	112.7	168.2	175.8	-172.5	-178.4	-173	2.4	108.4
910	K	37.6	Very low	32.5	Very low	186 Å²	186	155.6 Å²	155.6	81%	0.809	79%	0.79	S	S	*	*			trans	-172.7	142.4	164.5	-97.8	-167	177.4	-173.2	0	106.7
911	Q	36.5	Very low	32.7	Very low	158 Å²	158	154.1 Å²	154.1	74%	0.738	79%	0.789	S	S	*	*			cis	-154.7	148.4	-13.2	-160.7	159.4	-32.9	0	0	107.1
912	L	29.2	Very low	32.8	Very low	167 Å²	167	152.1 Å²	152.1	87%	0.874	78%	0.784	S	S	*	*			trans	-80.4	137.8	177.1	-76.5	165.6	0	0	0	110.7
913	Q	35	Very low	33.4	Very low	172 Å²	172	148.9 Å²	148.9	80%	0.804	78%	0.777	S	S	*	*			trans	-171.3	137.5	141.6	-109	169	-28.4	0	0	111
914	T	32.6	Very low	33.5	Very low	114 Å²	114	146.1 Å²	146.1	70%	0.699	77%	0.772	S	S	*	*			trans	51.4	138.9	148.3	60.7	0	0	0	0	121.2
915	D	34	Very low	33.6	Very low	127 Å²	127	152.5 Å²	152.5	68%	0.679	78%	0.778	S	S	*	*			cis	-167.6	164.9	-9	-109.9	-11.7	0	0	0	111.8
916	N	35.6	Very low	34	Very low	119 Å²	119	151.4 Å²	151.4	64%	0.636	77%	0.77	S	S	*	*			trans	59.6	106.7	147	-63.8	-25.8	0	0	0	122.8
917	Y	29.6	Very low	34.4	Very low	207 Å²	207	156.2 Å²	156.2	81%	0.812	77%	0.771	S	S	*	*				75.7	128.7	122.6	-80.5	-80.8	0	0	0	124.3
918	S	30.1	Very low	34.6	Very low	103 Å²	103	155.4 Å²	155.4	72%	0.72	77%	0.77	S	S	*	*			trans	70.8	106.6	135.2	65.5	0	0	0	0	122.2
919	A	31.6	Very low	34.9	Very low	88 Å²	88	152.1 Å²	152.1	73%	0.727	77%	0.767	S	S	*	*				89.5	115.5	108.6	0	0	0	0	0	122
920	V	30.9	Very low	35.4	Very low	132 Å²	132	144.1 Å²	144.1	80%	0.8	76%	0.761	S	S	*	*				86.3	125.1	123.7	172.6	0	0	0	0	120.8
921	S	32.5	Very low	35.6	Very low	94 Å²	94	147 Å²	147	66%	0.657	77%	0.766	S	S	*	*			trans	82.2	124.5	151.4	72.5	0	0	0	0	121.7
922	N	34.6	Very low	35.8	Very low	139 Å²	139	143.5 Å²	143.5	74%	0.743	76%	0.759	S	S	*	*				36.3	125.9	124.5	-51.7	-23.4	0	0	0	118.3
923	H	39.9	Very low	36.5	Very low	166 Å²	166	142.8 Å²	142.8	77%	0.769	75%	0.752	S	S	*	*				-165.2	153.8	76	-102.3	-38.8	0	0	0	116.4
924	N	34.5	Very low	36.8	Very low	134 Å²	134	143.2 Å²	143.2	72%	0.717	75%	0.746	S	S	*	*			trans	-11.3	138.1	146	-57.1	-48.5	0	0	0	118.2
925	R	36.2	Very low	37.2	Very low	252 Å²	252	146.2 Å²	146.2	95%	0.951	74%	0.744	S	S	*	*				-167.2	160.6	96.7	-104.5	175.4	179.8	-173.4	1.2	114
926	S	37.8	Very low	37.6	Very low	94 Å²	94	147.3 Å²	147.3	66%	0.657	75%	0.745	S	S	*	*			trans	-114	167.5	177.8	88.1	0	0	0	0	111.8
927	R	40.3	Very low	37.9	Very low	214 Å²	214	146.3 Å²	146.3	81%	0.808	75%	0.747	S	S	*	*			trans	179.3	125.1	133.9	-97	164.1	177.2	-169.8	-1.1	110
928	H	42.7	Very low	38.6	Very low	168 Å²	168	139.8 Å²	139.8	78%	0.778	74%	0.744	S	S	*	*				71.6	145.4	99.8	-64.1	-3.3	0	0	0	114.2
929	S	42.2	Very low	39	Very low	118 Å²	118	142.3 Å²	142.3	83%	0.825	75%	0.749	S	S	*	*			cis	-142.2	154.4	9	61.5	0	0	0	0	110.6
930	G	41	Very low	39.5	Very low	75 Å²	75	144.2 Å²	144.2	77%	0.773	75%	0.751	S	S	*	*				105.1	163.2	90.7	0	0	0	0	0	110.6
931	R	41.1	Very low	39.9	Very low	245 Å²	245	145.9 Å²	145.9	93%	0.925	75%	0.75	S	S	*	*			cis	-178.6	138.1	-11.8	167.5	-169	178.7	-162.8	1	107.2
932	S	39.7	Very low	40.3	Very low	85 Å²	85	145.1 Å²	145.1	59%	0.594	76%	0.757	S	S	*	*			cis	-173.4	178.4	-21.7	-166.5	0	0	0	0	108.6
933	H	44.7	Very low	40.5	Very low	153 Å²	153	147.3 Å²	147.3	71%	0.708	77%	0.765	S	S	*	*			trans	77	150.5	160.2	-56.3	-35.4	0	0	0	119
934	R	41.1	Very low	40.7	Very low	180 Å²	180	151.2 Å²	151.2	68%	0.679	79%	0.79	S	S	*	*			cis	-165.5	156.9	-7.5	-123	-176.4	157.5	171.8	-2.3	114.5
935	R	41.5	Very low	41	Very low	178 Å²	178	152.1 Å²	152.1	67%	0.672	79%	0.794	S	S	*	*			trans	70.5	150.8	147.6	-70.6	-176.4	152.1	157.5	-5.7	118.6
936	Q	42.8	Very low	41.2	Very low	149 Å²	149	146.8 Å²	146.8	70%	0.696	79%	0.786	S	S	*	*			cis	-174.3	167.8	-16.7	-110.9	-175	-115.2	0	0	107
937	S	40.9	Very low	41.4	Very low	98 Å²	98	149.7 Å²	149.7	69%	0.685	79%	0.793	S	S	*	*			cis	-176.5	154.8	-28.2	44	0	0	0	0	110.1
938	G	43.9	Very low	41.5	Very low	71 Å²	71	145.9 Å²	145.9	73%	0.732	79%	0.792	S	S	*	*			trans	112.5	114.5	-178.8	0	0	0	0	0	110
939	N	39.2	Very low	41.4	Very low	155 Å²	155	144.6 Å²	144.6	83%	0.829	79%	0.793	S	S	*	*			cis	75	109	16.9	-133.2	82	0	0	0	115
940	V	42.5	Very low	41.4	Very low	128 Å²	128	146.3 Å²	146.3	78%	0.776	79%	0.791	S	S	*	*				-173.3	156	123.3	149.2	0	0	0	0	108.4
941	E	37.8	Very low	41.4	Very low	168 Å²	168	151.4 Å²	151.4	79%	0.785	79%	0.792	S	S	*	*			trans	-71.9	172.9	-177.2	-51.7	99.7	120.1	0	0	114.9
942	G	40.9	Very low	41.4	Very low	78 Å²	78	144.2 Å²	144.2	80%	0.804	78%	0.782	S	S	*	*			trans	178.9	70.7	175.8	0	0	0	0	0	116.1
943	M	39	Very low	41.6	Very low	185 Å²	185	149.2 Å²	149.2	91%	0.911	80%	0.798	S	S	*	*			trans	-15.4	117.5	168.8	-60.1	160	66	0	0	118.4
944	L	44.4	Very low	41.3	Very low	247 Å²	247	148.8 Å²	148.8	100%	1.293	81%	0.806	S	S	*	*				-171.6	0	117.5	-101.8	167	0	0	0	111.5

Retrieved 944 of 944 residues in 417 ms (Link to these results)

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