A0A077ZET4_TRITR Loading...

Kunitz:Bovine pancreatic trypsin

AlphaFold DB , UniProt , Accession A0A077ZET4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,078 aa.

						>A0A077ZET4_TRITR|A0A077ZET4
MDSAEGRPSEGGPCEGHCYSTKGTRNAPRNSAPFAGLPADQVSALAFSLRLSSVPLIIRMRSGTLFFENMFCDCFSIAESSKFGEPCSQNTDCMHNMFCPAGICLCSPGYIDIGEHLINPGQSNCGHSRQCEAVWPGSYCEEGKCMCPRGQQPAVTKDGVVCHRAGQFGRHMLNEFLTLRFCPLPEEVQNNPSVLPNGKCEGSVEQHCEGMPDLYDCIPRADTSGYMCCPNRAMTCIQSKTQAHSSLNSQSRYWYNSVTGNCEQFLFDPTSRVATANSFLNLEQCQSYCSSTCKRGSPQYTGNRPRECQSTVQCESLSGKYQCVPVGTKRLCCPTTFICSPMGGRIGHSLSPDSGSGDLIEARWYFDSPSKECRAFQYKGFGGNFNNFLTREDCVAFCVQNVCDQGEALKDLNGNVQQCSGGRGCPSSYDCRRNVCCPSKQTVCSQNKLVGTCTSAVTRFWYNAATRDCESFIYTGCNGNDNNFDNYIKCITFCRDFVRKPSCPQGEADKDSGGKYYTCSVTGGYNQCRPNFECLFDGAIYGCCPKKAYTCSLNRAPGTACGAPTSRWYFDPTDKICKTFTYLGCDGNSNNFDTNERCERYCDVGGCPYGGKPHPDARQRVCDVSGICPVGYECVTVAISNAPVRYCCPTRASICSQPPNRGTQCGAPMERFYFNPLLKQCTRFTYYGCSGNDNNFLSLSACMNFCSSSACDPGEGIIVDPATQGAMKCNPSVPNPCPAGYSCRSDSLTGTSICCGSSDMGVCPNNEQAYIDPLTQQIRECQPGAVVSCPGNFLCRPNPVRNRYFCCRVARTAMCPPGKAPYVNIMTGQPQNCVLGPFNSCPPDYSCQSASNQREGYCCTVYRKRLLTFYVLFVTSSCDHTLLALCPNNEDFYIDTVTKAPKGCSLMSHGFQQCPAGYSCKTTRPGLTTGYCCGGIAGHVTGVCPSGQPYMDGTVPRRCTAGISNSCPVGYNCLESPTRPGFYYCCSGAAAGGRIWSIHGCPPGTFAYLIQGIPQSCQPGSQTCPVGYTCQYSSVHGRYQCCGLGPMQPVGREFLYLNKRLFCNDYTNFEEVHSCISF
					

Structure Viewer

Loading PAE data...

(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	36.9	Very low	37.7	Very low	224 Å²	224	144.1 Å²	144.1	100%	1.103	85%	0.845	S	S	*	*				0	64.6	0	-63.9	-173	-179.4	0	0	109.7
2	D	37.4	Very low	37.9	Very low	143 Å²	143	138.6 Å²	138.6	77%	0.765	84%	0.841	S	S	*	*			cis	-155.3	130.8	-16.2	-71.4	-43.8	0	0	0	104.5
3	S	32.8	Very low	38.5	Very low	113 Å²	113	137.6 Å²	137.6	79%	0.79	84%	0.839	S	S	*	*				87.2	141.1	53.4	-68	0	0	0	0	114.4
4	A	40.6	Very low	38.2	Very low	93 Å²	93	137.6 Å²	137.6	77%	0.769	85%	0.846	S	S	*	*			trans	75.4	120.6	-172.5	0	0	0	0	0	115.7
5	E	37.7	Very low	38.2	Very low	202 Å²	202	140.8 Å²	140.8	94%	0.944	85%	0.847	S	S	*	*			cis	84.7	124.1	41.4	-66.1	-167	128.6	0	0	115.2
6	G	42.1	Very low	38.3	Very low	85 Å²	85	136.8 Å²	136.8	88%	0.876	84%	0.844	S	S	*	*			trans	168.9	110.3	176	0	0	0	0	0	115.4
7	R	32.6	Very low	38.4	Very low	243 Å²	243	138.5 Å²	138.5	92%	0.917	84%	0.839	S	S	*	*			trans	-138.8	176.3	169.7	-126.8	-172.4	-170.1	-171.6	4.8	105.9
8	P	41.5	Very low	38.3	Very low	105 Å²	105	134.8 Å²	134.8	68%	0.682	82%	0.82	S	S	*	*			cis	-139.7	-149	-4.8	41.7	-19.6	0	0	0	113.5
9	S	37	Very low	38.3	Very low	102 Å²	102	139.1 Å²	139.1	71%	0.713	82%	0.821	S	S	*	*			trans	72.3	151.4	160.2	66.9	0	0	0	0	119
10	E	37.1	Very low	38.3	Very low	196 Å²	196	137.1 Å²	137.1	92%	0.916	82%	0.815	S	S	*	*			cis	-165.7	162.2	-16.8	-109.4	177.8	-176.7	0	0	108
11	G	39.5	Very low	38.3	Very low	79 Å²	79	136.6 Å²	136.6	81%	0.814	81%	0.813	S	S	*	*			trans	152.3	69.3	163.4	0	0	0	0	0	123.1
12	G	39.1	Very low	38.2	Very low	78 Å²	78	135.6 Å²	135.6	80%	0.804	80%	0.803	S	S	*	*			trans	77	155.4	131.7	0	0	0	0	0	123.7
13	P	46.1	Very low	38.2	Very low	126 Å²	126	132.6 Å²	132.6	82%	0.818	81%	0.806	S	S	*	*			trans	-134.7	-179.9	-160.2	42.7	-23.9	0	0	0	117.3
14	C	35.1	Very low	38.3	Very low	137 Å²	137	133 Å²	133	93%	0.926	80%	0.803	S	S	*	*			trans	-151.8	157.7	155.5	-96.9	0	0	0	0	111.8
15	E	37.5	Very low	38.2	Very low	186 Å²	186	139 Å²	139	87%	0.869	81%	0.806	S	S	*	*			trans	-108.7	170.5	-158	-56.9	173	119.9	0	0	116
16	G	39.5	Very low	38.1	Very low	77 Å²	77	136.8 Å²	136.8	79%	0.794	80%	0.801	S	S	*	*			trans	-179.1	84.3	174.2	0	0	0	0	0	116.8
17	H	39.8	Very low	37.7	Very low	165 Å²	165	137 Å²	137	76%	0.764	80%	0.795	S	S	*	*			trans	-47	164.6	172.3	-78.9	-88.1	0	0	0	117
18	C	36.4	Very low	38.1	Very low	73 Å²	73	130.6 Å²	130.6	49%	0.493	79%	0.785	S	S	.	*			cis	-168	165.7	16.1	-133.1	0	0	0	0	116.3
19	Y	39.6	Very low	37.7	Very low	215 Å²	215	136.2 Å²	136.2	84%	0.843	79%	0.792	S	S	*	*			trans	61.6	143	153.1	-66	-48.3	0	0	0	120
20	S	38.2	Very low	37.7	Very low	100 Å²	100	138.1 Å²	138.1	70%	0.699	79%	0.794	S	S	*	*			cis	-164.7	173.9	-9.8	-146.6	0	0	0	0	106.8
21	T	38.7	Very low	37.8	Very low	127 Å²	127	134.4 Å²	134.4	78%	0.779	79%	0.79	S	S	*	*			cis	-131.1	-113.1	12.4	56.4	0	0	0	0	112.5
22	K	35.2	Very low	37.6	Very low	202 Å²	202	135 Å²	135	88%	0.878	79%	0.787	S	S	*	*			trans	-157.1	154.7	-166.6	-72.2	175.7	179.5	168.7	0	112.7
23	G	36	Very low	38	Very low	81 Å²	81	136.4 Å²	136.4	84%	0.835	78%	0.782	S	S	*	*			trans	-174.7	47.8	170.3	0	0	0	0	0	115.6
24	T	35.2	Very low	37.5	Very low	120 Å²	120	139.9 Å²	139.9	74%	0.736	79%	0.785	S	S	*	*			trans	-83.3	142	-174.2	54.3	0	0	0	0	114.7
25	R	37.6	Very low	37.5	Very low	220 Å²	220	138.2 Å²	138.2	83%	0.83	78%	0.781	S	S	*	*				171.3	126.2	110.6	-93.5	172.8	-172	-166.7	2.7	115.2
26	N	37	Very low	37.5	Very low	155 Å²	155	133.2 Å²	133.2	83%	0.829	78%	0.78	S	S	*	*			trans	55.5	136.2	137	-59.4	-1.2	0	0	0	123.4
27	A	33.4	Very low	37.2	Very low	91 Å²	91	137.7 Å²	137.7	75%	0.752	78%	0.784	S	S	*	*			trans	-90.6	-159.1	172	0	0	0	0	0	110.7
28	P	40.2	Very low	37.3	Very low	108 Å²	108	135.1 Å²	135.1	70%	0.701	78%	0.782	S	S	*	*			cis	-143	-175.1	-4.3	42	-22	0	0	0	117.1
29	R	33.5	Very low	37.2	Very low	223 Å²	223	135.7 Å²	135.7	84%	0.842	79%	0.792	S	S	*	*			trans	60.9	118	156.7	-71.1	-178.4	-174.3	-165.3	2.3	120
30	N	37.2	Very low	37.2	Very low	142 Å²	142	131.8 Å²	131.8	76%	0.759	79%	0.786	S	S	*	*				177.7	152.1	100.8	-96.8	-20.4	0	0	0	114.8
31	S	38.6	Very low	37	Very low	117 Å²	117	135 Å²	135	82%	0.818	79%	0.79	S	S	*	*			trans	54.2	135.3	152.8	50	0	0	0	0	122.2
32	A	36.7	Very low	37	Very low	92 Å²	92	135.7 Å²	135.7	76%	0.76	79%	0.794	S	S	*	*			trans	-97.6	-155	174.5	0	0	0	0	0	111.6
33	P	47.5	Very low	37	Very low	107 Å²	107	131.6 Å²	131.6	70%	0.695	79%	0.79	S	S	*	*				-117.7	179.7	-81	37	-23.5	0	0	0	112.1
34	F	34.4	Very low	37.2	Very low	199 Å²	199	131.6 Å²	131.6	87%	0.873	78%	0.783	S	S	*	*			trans	168	142.2	133.1	-101.2	-72.7	0	0	0	114.5
35	A	35.2	Very low	37.2	Very low	102 Å²	102	134.1 Å²	134.1	84%	0.843	79%	0.791	S	S	*	*			trans	58	137.2	147.4	0	0	0	0	0	123
36	G	37.1	Very low	37.1	Very low	82 Å²	82	127.2 Å²	127.2	85%	0.845	78%	0.781	S	S	*	*			trans	158.2	84.7	164.8	0	0	0	0	0	116.3
37	L	33.2	Very low	37.1	Very low	171 Å²	171	129.4 Å²	129.4	90%	0.895	78%	0.783	S	S	*	*			trans	-94.2	-178.6	170	-75.6	160.7	0	0	0	110.2
38	P	42.7	Very low	37.2	Very low	110 Å²	110	129.8 Å²	129.8	71%	0.714	78%	0.781	S	S	*	*				-139.7	-171	-52.2	41.3	-24.3	0	0	0	114.3
39	A	34.4	Very low	36.9	Very low	86 Å²	86	132.4 Å²	132.4	71%	0.711	79%	0.788	S	S	*	*			trans	91.6	143.1	140.8	0	0	0	0	0	124.3
40	D	39.2	Very low	36.9	Very low	132 Å²	132	132.3 Å²	132.3	71%	0.706	79%	0.787	S	S	*	*			trans	77.6	110	152.3	-72	-44.6	0	0	0	125.3
41	Q	34.1	Very low	36.8	Very low	167 Å²	167	133.6 Å²	133.6	78%	0.78	79%	0.793	S	S	*	*				46.8	127.2	127.2	-60.1	-173.7	59.3	0	0	123
42	V	39.1	Very low	36.6	Very low	142 Å²	142	132.7 Å²	132.7	86%	0.861	79%	0.787	S	S	*	*				-150.1	139.7	118.6	161.4	0	0	0	0	109.2
43	S	34.5	Very low	36.6	Very low	116 Å²	116	133.1 Å²	133.1	81%	0.811	79%	0.785	S	S	*	*			trans	-116.4	139.6	166.3	-62.2	0	0	0	0	110.2
44	A	39.5	Very low	36	Very low	82 Å²	82	134.6 Å²	134.6	68%	0.678	79%	0.791	S	S	*	*			trans	-166.9	120.6	156.3	0	0	0	0	0	113.5
45	L	36.2	Very low	36.5	Very low	173 Å²	173	130.3 Å²	130.3	91%	0.906	78%	0.784	S	S	*	*				49.1	149.6	120.4	-55.1	167.1	0	0	0	120.7
46	A	35.1	Very low	36.3	Very low	75 Å²	75	132.5 Å²	132.5	62%	0.62	78%	0.78	S	S	*	*			cis	-177.7	149	-22.3	0	0	0	0	0	107.4
47	F	37.3	Very low	36	Very low	201 Å²	201	135.4 Å²	135.4	88%	0.882	78%	0.775	S	S	*	*				-178.1	148.7	122	-117.8	-97.2	0	0	0	112.7
48	S	34.5	Very low	36.1	Very low	99 Å²	99	135.6 Å²	135.6	69%	0.692	78%	0.775	S	S	*	*			trans	-90	168.4	177.5	-52.6	0	0	0	0	110.4
49	L	35.1	Very low	35.5	Very low	163 Å²	163	140.1 Å²	140.1	85%	0.853	78%	0.778	S	S	*	*				-167.5	172.2	62	-107.9	129.9	0	0	0	113.7
50	R	33.2	Very low	35.3	Very low	221 Å²	221	143 Å²	143	83%	0.834	78%	0.778	S	S	*	*			trans	-79.6	163.2	-173.1	-51.8	166.1	177.7	-179	-2.4	113.2
51	L	35.7	Very low	34.9	Very low	168 Å²	168	147.9 Å²	147.9	88%	0.88	79%	0.787	S	S	*	*				-178.2	178.1	111.7	-94.7	161.6	0	0	0	112.9
52	S	33.6	Very low	34.9	Very low	98 Å²	98	145.9 Å²	145.9	69%	0.685	79%	0.791	S	S	*	*			trans	-125.9	177.9	-155.8	56.2	0	0	0	0	115.4
53	S	37.4	Very low	34.7	Very low	102 Å²	102	142.9 Å²	142.9	71%	0.713	79%	0.789	S	S	*	*			trans	93.1	95.7	154.7	-10.5	0	0	0	0	120.6
54	V	34	Very low	34.8	Very low	138 Å²	138	142.8 Å²	142.8	84%	0.836	78%	0.784	S	S	*	*				20.3	142.9	114.3	-171.5	0	0	0	0	118.6
55	P	44.7	Very low	34.5	Very low	109 Å²	109	146.8 Å²	146.8	71%	0.708	79%	0.793	S	S	*	*			cis	-139.5	-158.3	-26.5	43.1	-23.7	0	0	0	114.5
56	L	31.8	Very low	34.4	Very low	148 Å²	148	146.5 Å²	146.5	78%	0.775	79%	0.785	S	S	*	*			trans	103.5	107.7	152.2	-122.1	104.5	0	0	0	120.9
57	I	31.6	Very low	34.5	Very low	142 Å²	142	152.2 Å²	152.2	73%	0.728	80%	0.796	S	S	*	*			trans	32	123	136.7	-50.8	168.7	0	0	0	119.9
58	I	34.7	Very low	34.4	Very low	175 Å²	175	149.6 Å²	149.6	90%	0.897	79%	0.786	S	S	*	*				-169.4	163.7	126.3	-97.8	156.2	0	0	0	111.7
59	R	29.9	Very low	34.4	Very low	205 Å²	205	151 Å²	151	77%	0.774	79%	0.786	S	S	*	*			trans	-90.2	148.2	-161	-88.4	176	166.3	176.7	-4.6	117.1
60	M	30	Very low	34.4	Very low	147 Å²	147	152.3 Å²	152.3	72%	0.724	79%	0.79	S	S	*	*			trans	75.5	141.7	131.1	-72.8	174.8	-178.7	0	0	124.2
61	R	31.3	Very low	34.4	Very low	234 Å²	234	149.9 Å²	149.9	88%	0.883	79%	0.786	S	S	*	*			trans	88.3	97.2	146.7	-82.2	177.5	176.8	-165.9	-1.8	121.3
62	S	33	Very low	34.3	Very low	125 Å²	125	148.2 Å²	148.2	87%	0.874	79%	0.787	S	S	*	*				57.7	122.9	113.4	-155.8	0	0	0	0	121
63	G	36.2	Very low	34.1	Very low	79 Å²	79	150 Å²	150	81%	0.814	79%	0.789	S	S	*	*			trans	178.4	129.2	164.3	0	0	0	0	0	112.1
64	T	35.6	Very low	33.8	Very low	114 Å²	114	151.1 Å²	151.1	70%	0.699	80%	0.795	S	S	*	*			trans	-114.2	159.4	-166.2	-36.3	0	0	0	0	112.1	F66	T64-F66 HydrophobicContact CG2-CD2 4.06Å; T64-F66 HydrophobicContact CG2-CE2 4.37Å
65	L	34.5	Very low	33.5	Very low	167 Å²	167	153.9 Å²	153.9	87%	0.874	80%	0.796	S	S	*	*			trans	176.7	120.1	146.7	-92.5	154.1	0	0	0	107
66	F	33.1	Very low	32.9	Very low	167 Å²	167	154.2 Å²	154.2	73%	0.732	80%	0.801	S	S	*	*			cis	91.3	119.1	44.1	-98.4	-75.7	0	0	0	116.7	T64	T64-F66 HydrophobicContact CG2-CD2 4.06Å; T64-F66 HydrophobicContact CG2-CE2 4.37Å
67	F	36.3	Very low	32.9	Very low	195 Å²	195	154.5 Å²	154.5	86%	0.855	80%	0.802	S	S	*	*			trans	-161.1	100.1	152.1	-101.1	-74.6	0	0	0	109.4
68	E	36.6	Very low	33.2	Very low	146 Å²	146	152.7 Å²	152.7	68%	0.682	81%	0.808	S	S	*	*				24.6	154.1	122.2	-59.8	-156.8	109	0	0	122.4
69	N	34.5	Very low	34	Very low	129 Å²	129	151.9 Å²	151.9	69%	0.69	80%	0.801	S	S	*	*			cis	-173.3	135.9	-24	-110.7	-29.1	0	0	0	109.1
70	M	35.4	Very low	35.3	Very low	189 Å²	189	144.8 Å²	144.8	93%	0.931	78%	0.782	S	S	*	*			trans	-159.2	144.5	149.7	-153.8	159.2	77.1	0	0	111.7
71	F	32.3	Very low	36.7	Very low	170 Å²	170	138.9 Å²	138.9	75%	0.746	76%	0.756	S	S	*	*			trans	-85.4	145.9	-157.5	-78.4	-108.7	0	0	0	116.8
72	C	33.5	Very low	38.4	Very low	134 Å²	134	132.4 Å²	132.4	91%	0.905	73%	0.734	S	S	*	*				-168.2	130.3	115.2	-91.4	0	0	0	0	110.5
73	D	29.7	Very low	40	Very low	135 Å²	135	131.4 Å²	131.4	72%	0.722	71%	0.714	S	S	*	*			trans	-81.4	139.8	-176	-73.3	-69.7	0	0	0	113.9
74	C	31.3	Very low	41.4	Very low	125 Å²	125	129.6 Å²	129.6	85%	0.845	70%	0.695	S	S	*	*			trans	-155	115.2	134.4	-142.7	0	0	0	0	110.1	S76	C74-S76 PolarHBondContact O-N 2.99Å
75	F	27.5	Very low	43.5	Very low	196 Å²	196	128.6 Å²	128.6	86%	0.86	68%	0.682	S	S	*	*			trans	-61.2	131	173.5	-107.2	-109.2	0	0	0	110.5
76	S	31.8	Very low	45.6	Very low	116 Å²	116	125.4 Å²	125.4	81%	0.811	67%	0.672	S	S	*	*			trans	-150.6	129.3	154.6	-77	0	0	0	0	109.2	C74	C74-S76 PolarHBondContact O-N 2.99Å
77	I	32	Very low	48	Very low	155 Å²	155	118.2 Å²	118.2	80%	0.795	64%	0.642	S	S	*	*			trans	-65.6	132.6	176.3	-61.9	158.6	0	0	0	106.7	E79	I77-E79 VanDerWaalsContact C-N 3.33Å; I77-E79 PolarHBondContact O-N 3.15Å
78	A	37.6	Very low	50.1	Low	103 Å²	103	114.1 Å²	114.1	85%	0.851	64%	0.638	S	S	*	*			trans	-70.1	88.1	-177.1	0	0	0	0	0	111	S80	A78-S80 PolarHBondContact O-N 2.92Å
79	E	51.3	Low	52	Low	159 Å²	159	112.3 Å²	112.3	74%	0.743	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-65.4	124.9	166.2	-65.3	-169.1	169.8	0	0	108.9	I77	I77-E79 VanDerWaalsContact C-N 3.33Å; I77-E79 PolarHBondContact O-N 3.15Å
80	S	57.9	Low	53.7	Low	56 Å²	56	110.9 Å²	110.9	39%	0.392	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-65.9	132.1	174.3	50.1	0	0	0	0	110.8	A78 D92 M94	A78-S80 PolarHBondContact O-N 2.92Å; S80-D92 CarbonylContact C-O 3.43Å; S80-M94 WeakPolarHBondContact O-CG 3.48Å; S80-M94 WeakPolarHBondContact OG-CG 3.34Å
81	S	60	Low	55.7	Low	23 Å²	23	107 Å²	107	16%	0.161	61%	0.609	C	S	.	*	B	Isolated β-bridge	trans	-56.5	134.3	-173.3	-58	0	0	0	0	113.3	P86 D92 M94	S81-P86 PolarHBondContact OG-O 2.93Å; S81-D92 WeakPolarHBondContact CB-O 3.21Å; S81-D92 PolarHBondContact N-O 2.93Å; S81-D92 PolarHBondContact OG-O 3.19Å; S81-M94 PolarHBondContact O-N 2.99Å; S81-M94 VanDerWaalsContact O-N 3.11Å
82	K	66.2	Low	57.7	Low	97 Å²	97	100.7 Å²	100.7	42%	0.422	58%	0.583	S	S	.	*			trans	-84.7	178.8	-175.9	-62.9	-179.3	-176.3	173.1	0	112.1	G84 E85 M94 C104	K82-G84 PolarHBondContact O-N 3.02Å; K82-E85 HydrophobicContact CB-CG 4.34Å; K82-E85 PolarHBondContact N-OE2 2.87Å; K82-E85 VanDerWaalsContact N-OE2 3.12Å; K82-E85 WeakPolarHBondContact O-CB 3.26Å; K82-E85 PolarHBondContact O-N 3.1Å; K82-E85 VanDerWaalsContact O-N 3.1Å; K82-M94 HydrophobicContact CG-SD 3.93Å; K82-C104 WeakPolarHBondContact O-CB 3.11Å
83	F	67.5	Low	59.6	Low	104 Å²	104	94.8 Å²	94.8	46%	0.456	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	126.4	177.2	-179.7	-98.9	0	0	0	112.5	E85 M97 L105 C106 D112	F83-E85 VanDerWaalsContact C-N 3.31Å; F83-E85 PolarHBondContact O-N 3.01Å; F83-M97 HydrophobicContact CB-CE 3.91Å; F83-M97 HydrophobicContact CD2-CE 4.2Å; F83-L105 HydrophobicContact CE2-CD2 4.22Å; F83-C106 WeakPolarHBondContact CD2-SG 3.4Å; F83-D112 HydrophobicContact CB-CB 4.21Å; F83-D112 HydrophobicContact CD1-CB 4.42Å; F83-D112 HydrophobicContact CD2-CB 4.33Å; F83-D112 HydrophobicContact CG-CB 4.05Å
84	G	65.9	Low	61.6	Low	41 Å²	41	91.1 Å²	91.1	42%	0.423	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	-6.2	-178.4	0	0	0	0	0	115.3	K82 C104	K82-G84 PolarHBondContact O-N 3.02Å; G84-C104 PolarHBondContact N-O 3.32Å
85	E	79.1	Confident	63.4	Low	93 Å²	93	93.1 Å²	93.1	44%	0.435	52%	0.518	S	S	.	.			trans	-79.2	155	179.9	-68.2	-154.4	133.3	0	0	113.3	K82 F83 I103 C104	K82-E85 HydrophobicContact CB-CG 4.34Å; K82-E85 PolarHBondContact N-OE2 2.87Å; K82-E85 VanDerWaalsContact N-OE2 3.12Å; K82-E85 WeakPolarHBondContact O-CB 3.26Å; K82-E85 PolarHBondContact O-N 3.1Å; K82-E85 VanDerWaalsContact O-N 3.1Å; F83-E85 VanDerWaalsContact C-N 3.31Å; F83-E85 PolarHBondContact O-N 3.01Å; E85-I103 CarbonylContact O-C 3.6Å; E85-I103 VanDerWaalsContact O-CA 3.28Å; E85-I103 WeakPolarHBondContact O-CA 3.3Å; E85-C104 PolarHBondContact O-N 3.06Å
86	P	78.7	Confident	65.2	Low	100 Å²	100	85.7 Å²	85.7	65%	0.649	49%	0.488	S	S	*	.	B	Isolated β-bridge	trans	-63.1	146.4	179.5	-20.3	33	0	0	0	113	S81 G102	S81-P86 PolarHBondContact OG-O 2.93Å; P86-G102 CarbonylContact C-O 3.56Å; P86-G102 VanDerWaalsContact CA-O 3.31Å; P86-G102 WeakPolarHBondContact CA-O 3.31Å
87	C	82.1	Confident	67	Low	17 Å²	17	80.9 Å²	80.9	12%	0.115	45%	0.453	C	S	.	.			trans	-149.6	158.7	174.9	56.4	0	0	0	0	111.7	D92 C99 G102 I103 C104	C87-D92 HydrophobicContact CB-CB 4Å; C87-C99 HydrophobicContact CB-CB 3.93Å; C87-C99 WeakPolarHBondContact CB-SG 3.39Å; C87-C99 PolarHBondContact O-SG 3.16Å; C87-C99 VanDerWaalsContact O-SG 3.32Å; C87-C99 VanDerWaalsContact SG-CA 3.55Å; C87-C99 WeakPolarHBondContact SG-CB 3.33Å; C87-C99 CovalentContact SG-SG 2.02Å; C87-C99 PolarHBondContact SG-SG 3.4Å; C87-G102 PolarHBondContact N-O 2.59Å; C87-G102 CarbonylContact O-C 3.58Å; C87-G102 WeakPolarHBondContact O-CA 3.43Å; C87-G102 VanDerWaalsContact SG-C 3.57Å; C87-I103 VanDerWaalsContact SG-CA 3.56Å; C87-I103 PolarHBondContact SG-N 3.01Å; C87-I103 VanDerWaalsContact SG-N 3.41Å; C87-I103 PolarHBondContact SG-O 2.69Å; C87-C104 WeakPolarHBondContact CB-SG 3.28Å; C87-C104 PolarHBondContact SG-N 3.35Å; C87-C104 VanDerWaalsContact SG-N 3.43Å; C87-C104 VanDerWaalsContact SG-SG 3.66Å
88	S	80.4	Confident	69.1	Low	108 Å²	108	76.5 Å²	76.5	76%	0.755	43%	0.428	S	S	*	.	S	Bend	trans	-108.5	-26.6	175.8	20.7	0	0	0	0	112.6	D92	S88-D92 WeakPolarHBondContact CA-OD2 3.34Å; S88-D92 WeakPolarHBondContact CB-OD2 3.41Å; S88-D92 PolarHBondContact N-OD2 2.94Å; S88-D92 PolarHBondContact OG-OD2 2.73Å
89	Q	77.7	Confident	71	Confident	109 Å²	109	72.6 Å²	72.6	51%	0.509	39%	0.394	S	S	.	.	S	Bend	trans	-155.4	158.5	-174	48.9	178.6	10.6	0	0	109.5	T91 D92	Q89-T91 WeakPolarHBondContact CG-OG1 3.33Å; Q89-T91 PolarHBondContact NE2-OG1 3.4Å; Q89-T91 VanDerWaalsContact NE2-OG1 3.17Å; Q89-T91 PolarHBondContact O-N 2.77Å; Q89-D92 WeakPolarHBondContact CG-OD1 3.37Å; Q89-D92 WeakPolarHBondContact CG-OD2 3.22Å; Q89-D92 PolarHBondContact N-OD2 2.88Å; Q89-D92 PolarHBondContact NE2-OD1 3.3Å; Q89-D92 WeakPolarHBondContact O-CB 3.45Å; Q89-D92 PolarHBondContact O-N 2.75Å
90	N	69.1	Low	71.8	Confident	99 Å²	99	68.6 Å²	68.6	53%	0.529	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-59.8	-22.9	-176.3	-68	-19.3	0	0	0	114.2	D92 C99	N90-D92 VanDerWaalsContact C-N 3.27Å; N90-D92 PolarHBondContact O-N 2.94Å; N90-C99 PolarHBondContact OD1-N 3.05Å
91	T	77.7	Confident	72.2	Confident	108 Å²	108	69.7 Å²	69.7	66%	0.663	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-74.6	-14	177.6	45.6	0	0	0	0	114.1	Q89 C93	Q89-T91 WeakPolarHBondContact CG-OG1 3.33Å; Q89-T91 PolarHBondContact NE2-OG1 3.4Å; Q89-T91 VanDerWaalsContact NE2-OG1 3.17Å; Q89-T91 PolarHBondContact O-N 2.77Å; T91-C93 VanDerWaalsContact C-N 3.33Å
92	D	75.8	Confident	72.9	Confident	37 Å²	37	70.3 Å²	70.3	20%	0.198	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-78.4	-24.4	177.6	-51.8	-22.2	0	0	0	110.9	S80 S81 C87 S88 Q89 N90	S80-D92 CarbonylContact C-O 3.43Å; S81-D92 WeakPolarHBondContact CB-O 3.21Å; S81-D92 PolarHBondContact N-O 2.93Å; S81-D92 PolarHBondContact OG-O 3.19Å; C87-D92 HydrophobicContact CB-CB 4Å; S88-D92 WeakPolarHBondContact CA-OD2 3.34Å; S88-D92 WeakPolarHBondContact CB-OD2 3.41Å; S88-D92 PolarHBondContact N-OD2 2.94Å; S88-D92 PolarHBondContact OG-OD2 2.73Å; Q89-D92 WeakPolarHBondContact CG-OD1 3.37Å; Q89-D92 WeakPolarHBondContact CG-OD2 3.22Å; Q89-D92 PolarHBondContact N-OD2 2.88Å; Q89-D92 PolarHBondContact NE2-OD1 3.3Å; Q89-D92 WeakPolarHBondContact O-CB 3.45Å; Q89-D92 PolarHBondContact O-N 2.75Å; N90-D92 VanDerWaalsContact C-N 3.27Å; N90-D92 PolarHBondContact O-N 2.94Å
93	C	72.6	Confident	73.4	Confident	9 Å²	9	69 Å²	69	6%	0.061	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-86.5	157.2	-178.4	-51.8	0	0	0	0	113.4	T91 M97 C104	T91-C93 VanDerWaalsContact C-N 3.33Å; C93-M97 HydrophobicContact CB-CB 3.59Å; C93-M97 HydrophobicContact CB-SD 4.48Å; C93-C104 WeakPolarHBondContact CA-SG 3.49Å; C93-C104 HydrophobicContact CB-CB 3.75Å; C93-C104 WeakPolarHBondContact CB-SG 2.96Å; C93-C104 VanDerWaalsContact SG-CA 3.51Å; C93-C104 WeakPolarHBondContact SG-CB 3.38Å; C93-C104 CovalentContact SG-SG 2.04Å; C93-C104 PolarHBondContact SG-SG 3.09Å
94	M	71.3	Confident	73.7	Confident	59 Å²	59	64.1 Å²	64.1	29%	0.291	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-58.4	159.8	171.9	-64.7	-177.8	76.8	0	0	113.1	S80 S81 K82 N96 M97	S80-M94 WeakPolarHBondContact O-CG 3.48Å; S80-M94 WeakPolarHBondContact OG-CG 3.34Å; S81-M94 PolarHBondContact O-N 2.99Å; S81-M94 VanDerWaalsContact O-N 3.11Å; K82-M94 HydrophobicContact CG-SD 3.93Å; M94-N96 PolarHBondContact O-N 2.87Å; M94-M97 HydrophobicContact CB-CG 4.41Å; M94-M97 HydrophobicContact CB-SD 3.77Å; M94-M97 HydrophobicContact CG-SD 4.46Å; M94-M97 VanDerWaalsContact O-CB 3.25Å; M94-M97 WeakPolarHBondContact O-CB 3.12Å; M94-M97 WeakPolarHBondContact O-CG 3.43Å; M94-M97 PolarHBondContact O-N 2.81Å; M94-M97 VanDerWaalsContact O-N 3.11Å
95	H	69.3	Low	73.6	Confident	166 Å²	166	64.8 Å²	64.8	77%	0.769	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	135.9	176.8	-167.6	68.7	0	0	0	111.6	L117	H95-L117 WeakPolarHBondContact O-CD1 3.21Å
96	N	66.3	Low	72.8	Confident	41 Å²	41	61.4 Å²	61.4	22%	0.219	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	28.7	-168.5	-52.8	-55.2	0	0	0	115.5	M94 S107 Y110 L117	M94-N96 PolarHBondContact O-N 2.87Å; N96-S107 WeakPolarHBondContact O-CB 3.35Å; N96-S107 PolarHBondContact O-N 3.27Å; N96-S107 PolarHBondContact O-OG 2.99Å; N96-Y110 HydrophobicContact CB-CD2 3.7Å; N96-Y110 HydrophobicContact CB-CE2 3.7Å; N96-Y110 HydrophobicContact CB-CG 4.13Å; N96-Y110 VanDerWaalsContact CG-CE2 3.45Å; N96-Y110 WeakPolarHBondContact OD1-CE2 3.15Å; N96-L117 HydrophobicContact CB-CB 4.29Å; N96-L117 HydrophobicContact CB-CD1 4.02Å
97	M	69	Low	71.9	Confident	15 Å²	15	57.6 Å²	57.6	7%	0.074	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	166.8	171.3	-57.3	-175.6	75.1	0	0	112.4	F83 C93 M94 C104 L105 S107 L117	F83-M97 HydrophobicContact CB-CE 3.91Å; F83-M97 HydrophobicContact CD2-CE 4.2Å; C93-M97 HydrophobicContact CB-CB 3.59Å; C93-M97 HydrophobicContact CB-SD 4.48Å; M94-M97 HydrophobicContact CB-CG 4.41Å; M94-M97 HydrophobicContact CB-SD 3.77Å; M94-M97 HydrophobicContact CG-SD 4.46Å; M94-M97 VanDerWaalsContact O-CB 3.25Å; M94-M97 WeakPolarHBondContact O-CB 3.12Å; M94-M97 WeakPolarHBondContact O-CG 3.43Å; M94-M97 PolarHBondContact O-N 2.81Å; M94-M97 VanDerWaalsContact O-N 3.11Å; M97-C104 HydrophobicContact CE-CB 3.54Å; M97-C104 VanDerWaalsContact CE-O 3.3Å; M97-C104 WeakPolarHBondContact CE-O 3.46Å; M97-C104 HydrophobicContact SD-CB 4.46Å; M97-L105 CarbonylContact C-O 3.59Å; M97-L105 VanDerWaalsContact CA-O 3.24Å; M97-L105 WeakPolarHBondContact CA-O 3.47Å; M97-L105 WeakPolarHBondContact CB-O 2.92Å; M97-S107 PolarHBondContact N-OG 3.41Å; M97-S107 PolarHBondContact O-OG 2.77Å; M97-L117 HydrophobicContact CG-CD1 3.42Å; M97-L117 VanDerWaalsContact CG-CD1 3.42Å; M97-L117 HydrophobicContact SD-CD1 4.06Å
98	F	74.7	Confident	70.4	Confident	63 Å²	63	59.9 Å²	59.9	28%	0.276	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	161.9	176	73.5	-62.8	0	0	0	112	P100 L105 C106 P108	F98-P100 VanDerWaalsContact C-CD 3.43Å; F98-P100 HydrophobicContact CD2-CB 3.98Å; F98-P100 HydrophobicContact CD2-CG 3.92Å; F98-P100 HydrophobicContact CE2-CB 3.66Å; F98-P100 HydrophobicContact CE2-CG 3.57Å; F98-P100 HydrophobicContact CZ-CG 4.03Å; F98-P100 WeakPolarHBondContact O-CD 3.39Å; F98-L105 HydrophobicContact CD1-CB 4.42Å; F98-L105 WeakPolarHBondContact CD1-O 3.12Å; F98-L105 HydrophobicContact CE1-CB 4.1Å; F98-L105 PolarHBondContact N-O 3.06Å; F98-L105 PolarHBondContact O-N 3.05Å; F98-C106 WeakPolarHBondContact CE1-O 3.28Å; F98-P108 HydrophobicContact CE1-CG 4.07Å; F98-P108 HydrophobicContact CZ-CG 4.19Å
99	C	78.6	Confident	68.9	Low	20 Å²	20	56.2 Å²	56.2	14%	0.135	33%	0.329	C	S	.	.			trans	-115.7	70.8	-170.6	-168.8	0	0	0	0	112.5	C87 N90	C87-C99 HydrophobicContact CB-CB 3.93Å; C87-C99 WeakPolarHBondContact CB-SG 3.39Å; C87-C99 PolarHBondContact O-SG 3.16Å; C87-C99 VanDerWaalsContact O-SG 3.32Å; C87-C99 VanDerWaalsContact SG-CA 3.55Å; C87-C99 WeakPolarHBondContact SG-CB 3.33Å; C87-C99 CovalentContact SG-SG 2.02Å; C87-C99 PolarHBondContact SG-SG 3.4Å; N90-C99 PolarHBondContact OD1-N 3.05Å
100	P	67.4	Low	67.9	Low	76 Å²	76	53.7 Å²	53.7	49%	0.494	32%	0.316	S	S	.	.	S	Bend	trans	-83.5	-18.7	-174.3	33.2	-36.2	0	0	0	114.6	F98 L105	F98-P100 VanDerWaalsContact C-CD 3.43Å; F98-P100 HydrophobicContact CD2-CB 3.98Å; F98-P100 HydrophobicContact CD2-CG 3.92Å; F98-P100 HydrophobicContact CE2-CB 3.66Å; F98-P100 HydrophobicContact CE2-CG 3.57Å; F98-P100 HydrophobicContact CZ-CG 4.03Å; F98-P100 WeakPolarHBondContact O-CD 3.39Å; P100-L105 HydrophobicContact CG-CD1 3.72Å; P100-L105 HydrophobicContact CG-CG 4.27Å
101	A	68	Low	67.5	Low	78 Å²	78	50.3 Å²	50.3	65%	0.645	30%	0.297	S	S	*	.	S	Bend	trans	-140.9	25.8	-170.5	0	0	0	0	0	113	I103	A101-I103 HydrophobicContact CB-CG1 4.4Å; A101-I103 PolarHBondContact O-N 3.34Å
102	G	74.3	Confident	66.8	Low	37 Å²	37	46.7 Å²	46.7	38%	0.381	27%	0.274	S	S	.	.	S	Bend	trans	74.7	9.7	-174	0	0	0	0	0	114.7	P86 C87	P86-G102 CarbonylContact C-O 3.56Å; P86-G102 VanDerWaalsContact CA-O 3.31Å; P86-G102 WeakPolarHBondContact CA-O 3.31Å; C87-G102 PolarHBondContact N-O 2.59Å; C87-G102 CarbonylContact O-C 3.58Å; C87-G102 WeakPolarHBondContact O-CA 3.43Å; C87-G102 VanDerWaalsContact SG-C 3.57Å
103	I	75.9	Confident	66.3	Low	70 Å²	70	46.1 Å²	46.1	36%	0.359	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-132.2	144.7	174.2	56.2	172.7	0	0	0	110.7	E85 C87 A101 L105	E85-I103 CarbonylContact O-C 3.6Å; E85-I103 VanDerWaalsContact O-CA 3.28Å; E85-I103 WeakPolarHBondContact O-CA 3.3Å; C87-I103 VanDerWaalsContact SG-CA 3.56Å; C87-I103 PolarHBondContact SG-N 3.01Å; C87-I103 VanDerWaalsContact SG-N 3.41Å; C87-I103 PolarHBondContact SG-O 2.69Å; A101-I103 HydrophobicContact CB-CG1 4.4Å; A101-I103 PolarHBondContact O-N 3.34Å; I103-L105 HydrophobicContact CD1-CD2 3.91Å; I103-L105 HydrophobicContact CG1-CD2 4.16Å; I103-L105 HydrophobicContact CG1-CG 4.35Å; I103-L105 PolarHBondContact O-N 2.86Å
104	C	75	Confident	65.7	Low	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.29	C	S	.	.			trans	-77.5	112.1	179.4	-70.3	0	0	0	0	110.9	K82 G84 E85 C87 C93 M97	K82-C104 WeakPolarHBondContact O-CB 3.11Å; G84-C104 PolarHBondContact N-O 3.32Å; E85-C104 PolarHBondContact O-N 3.06Å; C87-C104 WeakPolarHBondContact CB-SG 3.28Å; C87-C104 PolarHBondContact SG-N 3.35Å; C87-C104 VanDerWaalsContact SG-N 3.43Å; C87-C104 VanDerWaalsContact SG-SG 3.66Å; C93-C104 WeakPolarHBondContact CA-SG 3.49Å; C93-C104 HydrophobicContact CB-CB 3.75Å; C93-C104 WeakPolarHBondContact CB-SG 2.96Å; C93-C104 VanDerWaalsContact SG-CA 3.51Å; C93-C104 WeakPolarHBondContact SG-CB 3.38Å; C93-C104 CovalentContact SG-SG 2.04Å; C93-C104 PolarHBondContact SG-SG 3.09Å; M97-C104 HydrophobicContact CE-CB 3.54Å; M97-C104 VanDerWaalsContact CE-O 3.3Å; M97-C104 WeakPolarHBondContact CE-O 3.46Å; M97-C104 HydrophobicContact SD-CB 4.46Å
105	L	63.7	Low	65	Low	55 Å²	55	52.2 Å²	52.2	29%	0.288	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	147.9	175.7	-59.8	-175.6	0	0	0	110.6	F83 M97 F98 P100 I103 S107	F83-L105 HydrophobicContact CE2-CD2 4.22Å; M97-L105 CarbonylContact C-O 3.59Å; M97-L105 VanDerWaalsContact CA-O 3.24Å; M97-L105 WeakPolarHBondContact CA-O 3.47Å; M97-L105 WeakPolarHBondContact CB-O 2.92Å; F98-L105 HydrophobicContact CD1-CB 4.42Å; F98-L105 WeakPolarHBondContact CD1-O 3.12Å; F98-L105 HydrophobicContact CE1-CB 4.1Å; F98-L105 PolarHBondContact N-O 3.06Å; F98-L105 PolarHBondContact O-N 3.05Å; P100-L105 HydrophobicContact CG-CD1 3.72Å; P100-L105 HydrophobicContact CG-CG 4.27Å; I103-L105 HydrophobicContact CD1-CD2 3.91Å; I103-L105 HydrophobicContact CG1-CD2 4.16Å; I103-L105 HydrophobicContact CG1-CG 4.35Å; I103-L105 PolarHBondContact O-N 2.86Å; L105-S107 PolarHBondContact O-N 3.39Å
106	C	60.9	Low	64.7	Low	22 Å²	22	50.2 Å²	50.2	15%	0.149	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.3	126	169	-54.9	0	0	0	0	109.1	F83 F98 D112 L117	F83-C106 WeakPolarHBondContact CD2-SG 3.4Å; F98-C106 WeakPolarHBondContact CE1-O 3.28Å; C106-D112 PolarHBondContact SG-N 2.82Å; C106-D112 VanDerWaalsContact SG-N 3.42Å; C106-L117 HydrophobicContact CB-CD2 3.91Å; C106-L117 VanDerWaalsContact SG-CD2 3.52Å
107	S	59.7	Low	64.3	Low	20 Å²	20	49.7 Å²	49.7	14%	0.14	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-56.8	137	168	-74.5	0	0	0	0	108.5	N96 M97 L105 Y110 T328	N96-S107 WeakPolarHBondContact O-CB 3.35Å; N96-S107 PolarHBondContact O-N 3.27Å; N96-S107 PolarHBondContact O-OG 2.99Å; M97-S107 PolarHBondContact N-OG 3.41Å; M97-S107 PolarHBondContact O-OG 2.77Å; L105-S107 PolarHBondContact O-N 3.39Å; S107-Y110 PolarHBondContact O-N 3.49Å; S107-Y110 VanDerWaalsContact O-N 3.1Å; S107-T328 VanDerWaalsContact CB-CG2 3.45Å
108	P	50.7	Low	64.1	Low	66 Å²	66	50 Å²	50	43%	0.429	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	150.9	-155.7	-25.7	38.1	0	0	0	111.7	F98 Y110 G327 T328	F98-P108 HydrophobicContact CE1-CG 4.07Å; F98-P108 HydrophobicContact CZ-CG 4.19Å; P108-Y110 PolarHBondContact O-N 2.65Å; P108-G327 CarbonylContact O-C 3.49Å; P108-G327 WeakPolarHBondContact O-CA 3.42Å; P108-T328 WeakPolarHBondContact O-CB 3.36Å; P108-T328 PolarHBondContact O-N 3.3Å; P108-T328 PolarHBondContact O-OG1 3.39Å
109	G	49.2	Very low	63	Low	30 Å²	30	48.1 Å²	48.1	31%	0.309	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	1.9	-176.8	0	0	0	0	0	116.3	P120	G109-P120 WeakPolarHBondContact O-CD 3.31Å
110	Y	56.4	Low	61.9	Low	56 Å²	56	48 Å²	48	22%	0.22	29%	0.291	C	S	.	.			trans	-93.3	150.7	144.5	-74.9	-84.7	0	0	0	109.6	N96 S107 P108 L117 I118 N119 T328	N96-Y110 HydrophobicContact CB-CD2 3.7Å; N96-Y110 HydrophobicContact CB-CE2 3.7Å; N96-Y110 HydrophobicContact CB-CG 4.13Å; N96-Y110 VanDerWaalsContact CG-CE2 3.45Å; N96-Y110 WeakPolarHBondContact OD1-CE2 3.15Å; S107-Y110 PolarHBondContact O-N 3.49Å; S107-Y110 VanDerWaalsContact O-N 3.1Å; P108-Y110 PolarHBondContact O-N 2.65Å; Y110-L117 HydrophobicContact CD1-CB 4Å; Y110-L117 WeakPolarHBondContact CD1-O 3.3Å; Y110-L117 HydrophobicContact CG-CB 4.25Å; Y110-I118 WeakPolarHBondContact CA-O 3.18Å; Y110-N119 HydrophobicContact CD1-CB 4.27Å; Y110-N119 HydrophobicContact CE1-CB 4Å; Y110-T328 HydrophobicContact CD2-CG2 3.61Å; Y110-T328 WeakPolarHBondContact CD2-OG1 3.27Å; Y110-T328 HydrophobicContact CE2-CG2 3.43Å; Y110-T328 VanDerWaalsContact CE2-CG2 3.43Å; Y110-T328 WeakPolarHBondContact CE2-OG1 3.44Å
111	I	61.7	Low	61.2	Low	29 Å²	29	47 Å²	47	15%	0.149	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	141.1	168.3	48.4	158	0	0	0	109.8	I113 L117 I118 P120 R129 Q130 A133	I111-I113 HydrophobicContact CD1-CG2 4.05Å; I111-L117 WeakPolarHBondContact O-CA 3.3Å; I111-I118 HydrophobicContact CD1-CB 4.42Å; I111-I118 HydrophobicContact CG1-CB 4.22Å; I111-I118 WeakPolarHBondContact CG1-O 3.01Å; I111-I118 PolarHBondContact N-O 3.48Å; I111-I118 PolarHBondContact O-N 3.15Å; I111-P120 HydrophobicContact CG1-CG 4.36Å; I111-P120 HydrophobicContact CG2-CG 4.26Å; I111-R129 HydrophobicContact CD1-CB 3.77Å; I111-R129 WeakPolarHBondContact CD1-O 3Å; I111-Q130 HydrophobicContact CD1-CB 4.11Å; I111-Q130 VanDerWaalsContact CD1-N 3.27Å; I111-A133 HydrophobicContact CG2-CB 3.98Å
112	D	63	Low	60.7	Low	31 Å²	31	48.3 Å²	48.3	17%	0.166	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	139.5	165.6	167.6	58.1	0	0	0	110.2	F83 C106 G114 L117 R129	F83-D112 HydrophobicContact CB-CB 4.21Å; F83-D112 HydrophobicContact CD1-CB 4.42Å; F83-D112 HydrophobicContact CD2-CB 4.33Å; F83-D112 HydrophobicContact CG-CB 4.05Å; C106-D112 PolarHBondContact SG-N 2.82Å; C106-D112 VanDerWaalsContact SG-N 3.42Å; D112-G114 PolarHBondContact OD1-N 3.43Å; D112-G114 PolarHBondContact OD2-N 3.2Å; D112-L117 HydrophobicContact CB-CD2 4.49Å; D112-R129 WeakPolarHBondContact O-CD 3.4Å; D112-R129 PolarHBondContact O-NH1 2.84Å; D112-R129 IonicContact OD2-NH1 3.51Å; D112-R129 PolarHBondContact OD2-NH1 3.04Å
113	I	65	Low	59.8	Low	25 Å²	25	50.2 Å²	50.2	13%	0.128	30%	0.295	C	S	.	.			trans	-131	22.7	169.5	58	152.2	0	0	0	112.4	I111 H116 I118 H127 R129	I111-I113 HydrophobicContact CD1-CG2 4.05Å; I113-H116 HydrophobicContact CD1-CB 3.93Å; I113-H116 HydrophobicContact CG1-CB 4.02Å; I113-H116 WeakPolarHBondContact CG1-O 3.49Å; I113-H116 PolarHBondContact N-O 3.24Å; I113-H116 VanDerWaalsContact N-O 3.13Å; I113-I118 HydrophobicContact CD1-CD1 3.36Å; I113-I118 HydrophobicContact CD1-CG1 3.67Å; I113-I118 HydrophobicContact CG1-CD1 4.29Å; I113-I118 HydrophobicContact CG1-CG1 4.14Å; I113-H127 HydrophobicContact CB-CB 4.48Å; I113-H127 HydrophobicContact CD1-CB 4.36Å; I113-H127 WeakPolarHBondContact CD1-CE1 3.46Å; I113-H127 WeakPolarHBondContact CD1-ND1 3.4Å; I113-H127 HydrophobicContact CG2-CB 4.01Å; I113-R129 HydrophobicContact CG2-CB 4.1Å
114	G	59.7	Low	59.4	Low	46 Å²	46	53.2 Å²	53.2	47%	0.474	31%	0.312	S	S	.	.	S	Bend	trans	102.5	-62	176.5	0	0	0	0	0	113.3	D112	D112-G114 PolarHBondContact OD1-N 3.43Å; D112-G114 PolarHBondContact OD2-N 3.2Å
115	E	57.2	Low	59.3	Low	151 Å²	151	53.8 Å²	53.8	71%	0.706	32%	0.316	S	S	*	.	S	Bend	trans	-112.2	-14.7	-178.8	-61.5	-164.3	150.9	0	0	113.9
116	H	61.4	Low	59.7	Low	124 Å²	124	53.5 Å²	53.5	57%	0.574	33%	0.326	S	S	*	.			trans	-136.5	162.7	-175.6	-62.7	-20	0	0	0	110.9	I113	I113-H116 HydrophobicContact CD1-CB 3.93Å; I113-H116 HydrophobicContact CG1-CB 4.02Å; I113-H116 WeakPolarHBondContact CG1-O 3.49Å; I113-H116 PolarHBondContact N-O 3.24Å; I113-H116 VanDerWaalsContact N-O 3.13Å
117	L	59.7	Low	60.4	Low	29 Å²	29	56.7 Å²	56.7	15%	0.152	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	115	175.2	-74.3	150.5	0	0	0	108.2	H95 N96 M97 C106 Y110 I111 D112	H95-L117 WeakPolarHBondContact O-CD1 3.21Å; N96-L117 HydrophobicContact CB-CB 4.29Å; N96-L117 HydrophobicContact CB-CD1 4.02Å; M97-L117 HydrophobicContact CG-CD1 3.42Å; M97-L117 VanDerWaalsContact CG-CD1 3.42Å; M97-L117 HydrophobicContact SD-CD1 4.06Å; C106-L117 HydrophobicContact CB-CD2 3.91Å; C106-L117 VanDerWaalsContact SG-CD2 3.52Å; Y110-L117 HydrophobicContact CD1-CB 4Å; Y110-L117 WeakPolarHBondContact CD1-O 3.3Å; Y110-L117 HydrophobicContact CG-CB 4.25Å; I111-L117 WeakPolarHBondContact O-CA 3.3Å; D112-L117 HydrophobicContact CB-CD2 4.49Å
118	I	63.1	Low	61.2	Low	22 Å²	22	58.1 Å²	58.1	11%	0.113	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	145.3	-176.3	-71.6	-168.8	0	0	0	111.2	Y110 I111 I113 Q130	Y110-I118 WeakPolarHBondContact CA-O 3.18Å; I111-I118 HydrophobicContact CD1-CB 4.42Å; I111-I118 HydrophobicContact CG1-CB 4.22Å; I111-I118 WeakPolarHBondContact CG1-O 3.01Å; I111-I118 PolarHBondContact N-O 3.48Å; I111-I118 PolarHBondContact O-N 3.15Å; I113-I118 HydrophobicContact CD1-CD1 3.36Å; I113-I118 HydrophobicContact CD1-CG1 3.67Å; I113-I118 HydrophobicContact CG1-CD1 4.29Å; I113-I118 HydrophobicContact CG1-CG1 4.14Å; I118-Q130 HydrophobicContact CG2-CB 3.92Å; I118-Q130 VanDerWaalsContact CG2-CD 3.44Å; I118-Q130 HydrophobicContact CG2-CG 3.53Å
119	N	53.3	Low	62.1	Low	23 Å²	23	60.7 Å²	60.7	12%	0.123	35%	0.35	C	S	.	.			trans	-93.3	113.9	175.8	165.6	-4.2	0	0	0	108.1	Y110 G121 Q122 K329	Y110-N119 HydrophobicContact CD1-CB 4.27Å; Y110-N119 HydrophobicContact CE1-CB 4Å; N119-G121 PolarHBondContact O-N 3.03Å; N119-G121 PolarHBondContact OD1-N 3.28Å; N119-Q122 HydrophobicContact CB-CG 3.99Å; N119-Q122 WeakPolarHBondContact O-CB 3.14Å; N119-Q122 PolarHBondContact O-N 3.05Å; N119-K329 VanDerWaalsContact CG-CE 3.49Å; N119-K329 WeakPolarHBondContact ND2-CE 3.44Å; N119-K329 PolarHBondContact ND2-NZ 2.96Å; N119-K329 VanDerWaalsContact OD1-CE 3.27Å; N119-K329 WeakPolarHBondContact OD1-CE 3.34Å; N119-K329 PolarHBondContact OD1-NZ 3.27Å
120	P	55.2	Low	62.9	Low	17 Å²	17	59.4 Å²	59.4	11%	0.11	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-32.4	-175.7	-30.2	37.4	0	0	0	114.3	G109 I111 Q122 A133 V134	G109-P120 WeakPolarHBondContact O-CD 3.31Å; I111-P120 HydrophobicContact CG1-CG 4.36Å; I111-P120 HydrophobicContact CG2-CG 4.26Å; P120-Q122 VanDerWaalsContact C-N 3.29Å; P120-Q122 PolarHBondContact O-N 2.88Å; P120-A133 HydrophobicContact CB-CB 3.67Å; P120-A133 HydrophobicContact CG-CB 3.44Å; P120-A133 VanDerWaalsContact CG-CB 3.44Å; P120-V134 HydrophobicContact CB-CG2 3.96Å; P120-V134 WeakPolarHBondContact O-CG2 3.21Å
121	G	52.2	Low	63.7	Low	56 Å²	56	56.8 Å²	56.8	58%	0.577	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	7.9	178.8	0	0	0	0	0	115.5	N119	N119-G121 PolarHBondContact O-N 3.03Å; N119-G121 PolarHBondContact OD1-N 3.28Å
122	Q	58	Low	64	Low	105 Å²	105	59.4 Å²	59.4	49%	0.491	34%	0.337	S	S	.	.			trans	-68.8	130.1	171.5	-83.3	175.4	-52.6	0	0	110.8	N119 P120 Q130	N119-Q122 HydrophobicContact CB-CG 3.99Å; N119-Q122 WeakPolarHBondContact O-CB 3.14Å; N119-Q122 PolarHBondContact O-N 3.05Å; P120-Q122 VanDerWaalsContact C-N 3.29Å; P120-Q122 PolarHBondContact O-N 2.88Å; Q122-Q130 PolarHBondContact O-NE2 3.31Å; Q122-Q130 VanDerWaalsContact O-NE2 3.1Å
123	S	54	Low	63.8	Low	77 Å²	77	58.1 Å²	58.1	54%	0.538	33%	0.331	S	S	.	.	S	Bend	trans	-68.1	133.1	169.7	50	0	0	0	0	110.2	R304	S123-R304 PolarHBondContact OG-NH2 2.96Å
124	N	67.9	Low	63.7	Low	133 Å²	133	57.6 Å²	57.6	71%	0.711	33%	0.329	S	S	*	.	S	Bend	trans	70.1	124.2	-161	-55	-13.2	0	0	0	112.6	Q130 G143	N124-Q130 PolarHBondContact O-NE2 2.81Å; N124-Q130 VanDerWaalsContact O-NE2 3.09Å; N124-G143 CarbonylContact C-O 3.52Å; N124-G143 WeakPolarHBondContact CA-O 3.44Å
125	C	72.6	Confident	64	Low	13 Å²	13	55.9 Å²	55.9	9%	0.088	31%	0.308	C	S	.	.			trans	-86.2	146.2	174.7	67.4	0	0	0	0	111.8	Q130 C131 C140 G143 K144	C125-Q130 VanDerWaalsContact CA-OE1 3.25Å; C125-C131 WeakPolarHBondContact CB-SG 3.18Å; C125-C131 VanDerWaalsContact SG-SG 3.67Å; C125-C140 HydrophobicContact CB-CB 3.82Å; C125-C140 WeakPolarHBondContact CB-SG 3.31Å; C125-C140 PolarHBondContact O-SG 2.03Å; C125-C140 WeakPolarHBondContact SG-CA 3.38Å; C125-C140 WeakPolarHBondContact SG-CB 3.12Å; C125-C140 CovalentContact SG-SG 2.03Å; C125-C140 PolarHBondContact SG-SG 3.27Å; C125-G143 PolarHBondContact N-O 2.83Å; C125-G143 WeakPolarHBondContact O-CA 3.46Å; C125-K144 PolarHBondContact SG-N 2.76Å; C125-K144 VanDerWaalsContact SG-N 3.41Å; C125-K144 PolarHBondContact SG-O 2.8Å
126	G	72.7	Confident	64.3	Low	49 Å²	49	49.6 Å²	49.6	51%	0.505	28%	0.28	S	S	.	.	S	Bend	trans	-104	-30.6	168.7	0	0	0	0	0	113.4
127	H	75	Confident	64.5	Low	88 Å²	88	45.5 Å²	45.5	41%	0.407	27%	0.272	S	S	.	.	S	Bend	trans	-144.8	146.4	-169	-67.1	73.9	0	0	0	110.2	I113 R129 Q130	I113-H127 HydrophobicContact CB-CB 4.48Å; I113-H127 HydrophobicContact CD1-CB 4.36Å; I113-H127 WeakPolarHBondContact CD1-CE1 3.46Å; I113-H127 WeakPolarHBondContact CD1-ND1 3.4Å; I113-H127 HydrophobicContact CG2-CB 4.01Å; H127-R129 VanDerWaalsContact C-N 3.31Å; H127-R129 PolarHBondContact O-N 3.24Å; H127-Q130 WeakPolarHBondContact O-CB 3.38Å; H127-Q130 PolarHBondContact O-N 2.81Å
128	S	76.7	Confident	65.3	Low	50 Å²	50	44.1 Å²	44.1	35%	0.35	27%	0.265	S	S	.	.	H	α-helix	trans	-57.7	-38.7	-176.9	-61.1	0	0	0	0	113.9	Q130 C131 E132 C140	S128-Q130 PolarHBondContact O-N 3.01Å; S128-Q130 VanDerWaalsContact O-N 3.07Å; S128-C131 WeakPolarHBondContact O-CA 3.04Å; S128-C131 WeakPolarHBondContact O-CB 3.5Å; S128-C131 PolarHBondContact O-N 3.14Å; S128-E132 PolarHBondContact O-N 2.79Å; S128-C140 PolarHBondContact OG-N 2.02Å; S128-C140 VanDerWaalsContact OG-N 3.16Å
129	R	69.5	Low	66.3	Low	120 Å²	120	47.2 Å²	47.2	45%	0.453	28%	0.275	S	S	.	.	H	α-helix	trans	-52.3	-32.6	173.9	-73.1	-173.1	179.8	171.3	0.8	113.3	I111 D112 I113 H127 C131 E132 A133	I111-R129 HydrophobicContact CD1-CB 3.77Å; I111-R129 WeakPolarHBondContact CD1-O 3Å; D112-R129 WeakPolarHBondContact O-CD 3.4Å; D112-R129 PolarHBondContact O-NH1 2.84Å; D112-R129 IonicContact OD2-NH1 3.51Å; D112-R129 PolarHBondContact OD2-NH1 3.04Å; I113-R129 HydrophobicContact CG2-CB 4.1Å; H127-R129 VanDerWaalsContact C-N 3.31Å; H127-R129 PolarHBondContact O-N 3.24Å; R129-C131 VanDerWaalsContact C-N 3.28Å; R129-C131 PolarHBondContact O-N 2.71Å; R129-E132 WeakPolarHBondContact CA-OE2 3.22Å; R129-E132 PolarHBondContact O-N 3.26Å; R129-A133 WeakPolarHBondContact O-CB 3.36Å; R129-A133 PolarHBondContact O-N 3.25Å; R129-A133 VanDerWaalsContact O-N 3.08Å
130	Q	67.1	Low	67.6	Low	4 Å²	4	47.3 Å²	47.3	2%	0.019	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-37.9	176.7	-174.1	-177.8	-16.6	0	0	111.9	I111 I118 Q122 N124 C125 H127 S128	I111-Q130 HydrophobicContact CD1-CB 4.11Å; I111-Q130 VanDerWaalsContact CD1-N 3.27Å; I118-Q130 HydrophobicContact CG2-CB 3.92Å; I118-Q130 VanDerWaalsContact CG2-CD 3.44Å; I118-Q130 HydrophobicContact CG2-CG 3.53Å; Q122-Q130 PolarHBondContact O-NE2 3.31Å; Q122-Q130 VanDerWaalsContact O-NE2 3.1Å; N124-Q130 PolarHBondContact O-NE2 2.81Å; N124-Q130 VanDerWaalsContact O-NE2 3.09Å; C125-Q130 VanDerWaalsContact CA-OE1 3.25Å; H127-Q130 WeakPolarHBondContact O-CB 3.38Å; H127-Q130 PolarHBondContact O-N 2.81Å; S128-Q130 PolarHBondContact O-N 3.01Å; S128-Q130 VanDerWaalsContact O-N 3.07Å
131	C	72.1	Confident	69	Low	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-78.1	-45	177.3	-59.3	0	0	0	0	110.7	C125 S128 R129 A133 V134 W135 S138 C145	C125-C131 WeakPolarHBondContact CB-SG 3.18Å; C125-C131 VanDerWaalsContact SG-SG 3.67Å; S128-C131 WeakPolarHBondContact O-CA 3.04Å; S128-C131 WeakPolarHBondContact O-CB 3.5Å; S128-C131 PolarHBondContact O-N 3.14Å; R129-C131 VanDerWaalsContact C-N 3.28Å; R129-C131 PolarHBondContact O-N 2.71Å; C131-A133 PolarHBondContact O-N 2.95Å; C131-V134 WeakPolarHBondContact O-CA 3.13Å; C131-V134 PolarHBondContact O-N 3.41Å; C131-W135 PolarHBondContact O-N 3.42Å; C131-S138 CarbonylContact C-O 3.4Å; C131-S138 VanDerWaalsContact CB-O 3.31Å; C131-S138 WeakPolarHBondContact CB-O 2.99Å; C131-S138 WeakPolarHBondContact CB-OG 3.45Å; C131-S138 PolarHBondContact O-OG 2.97Å; C131-C145 WeakPolarHBondContact CA-SG 3Å; C131-C145 HydrophobicContact CB-CB 3.6Å; C131-C145 WeakPolarHBondContact CB-SG 3.49Å; C131-C145 WeakPolarHBondContact SG-CA 3.41Å; C131-C145 WeakPolarHBondContact SG-CB 3.3Å; C131-C145 CovalentContact SG-SG 2.04Å; C131-C145 PolarHBondContact SG-SG 2.91Å
132	E	68.1	Low	70.4	Confident	84 Å²	84	56.7 Å²	56.7	39%	0.393	31%	0.305	S	S	.	.	H	α-helix	trans	-51.8	-33.1	175.2	-64.9	177.9	151	0	0	112.3	S128 R129 W135 S138	S128-E132 PolarHBondContact O-N 2.79Å; R129-E132 WeakPolarHBondContact CA-OE2 3.22Å; R129-E132 PolarHBondContact O-N 3.26Å; E132-W135 VanDerWaalsContact CA-O 3.3Å; E132-W135 WeakPolarHBondContact CA-O 3.19Å; E132-W135 CarbonylContact O-C 3.57Å; E132-S138 WeakPolarHBondContact CG-O 3.31Å; E132-S138 PolarHBondContact N-O 3.43Å; E132-S138 VanDerWaalsContact N-O 3.09Å
133	A	60	Low	71.2	Confident	5 Å²	5	52.8 Å²	52.8	4%	0.041	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-15.5	177.1	0	0	0	0	0	115.8	I111 P120 R129 C131 S287	I111-A133 HydrophobicContact CG2-CB 3.98Å; P120-A133 HydrophobicContact CB-CB 3.67Å; P120-A133 HydrophobicContact CG-CB 3.44Å; P120-A133 VanDerWaalsContact CG-CB 3.44Å; R129-A133 WeakPolarHBondContact O-CB 3.36Å; R129-A133 PolarHBondContact O-N 3.25Å; R129-A133 VanDerWaalsContact O-N 3.08Å; C131-A133 PolarHBondContact O-N 2.95Å; A133-S287 WeakPolarHBondContact CA-OG 3.32Å; A133-S287 WeakPolarHBondContact CB-OG 3.4Å; A133-S287 WeakPolarHBondContact O-CB 3.13Å; A133-S287 PolarHBondContact O-OG 2.83Å
134	V	62.4	Low	72.1	Confident	13 Å²	13	55.5 Å²	55.5	8%	0.079	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-44.9	168.8	-175.9	0	0	0	0	110.4	P120 C131 V160	P120-V134 HydrophobicContact CB-CG2 3.96Å; P120-V134 WeakPolarHBondContact O-CG2 3.21Å; C131-V134 WeakPolarHBondContact O-CA 3.13Å; C131-V134 PolarHBondContact O-N 3.41Å; V134-V160 VanDerWaalsContact CG1-O 3.3Å; V134-V160 WeakPolarHBondContact CG1-O 3.36Å
135	W	66.4	Low	72.4	Confident	10 Å²	10	50.4 Å²	50.4	4%	0.038	27%	0.27	C	S	.	.	S	Bend	trans	-137.6	125.8	175.9	-170.1	-88	0	0	0	112.2	C131 E132 G137 S138 V161 C162 P183 Y288	C131-W135 PolarHBondContact O-N 3.42Å; E132-W135 VanDerWaalsContact CA-O 3.3Å; E132-W135 WeakPolarHBondContact CA-O 3.19Å; E132-W135 CarbonylContact O-C 3.57Å; W135-G137 PolarHBondContact O-N 2.79Å; W135-S138 WeakPolarHBondContact O-CB 3.46Å; W135-S138 PolarHBondContact O-N 3.09Å; W135-S138 PolarHBondContact O-OG 2.89Å; W135-V161 HydrophobicContact CE3-CB 3.81Å; W135-V161 HydrophobicContact CE3-CG1 4.23Å; W135-V161 HydrophobicContact CZ3-CB 4.23Å; W135-C162 VanDerWaalsContact CD1-SG 3.52Å; W135-C162 HydrophobicContact CD2-CB 4.03Å; W135-C162 HydrophobicContact CG-CB 3.72Å; W135-C162 WeakPolarHBondContact CZ2-O 3.19Å; W135-P183 HydrophobicContact CE3-CB 4.41Å; W135-P183 HydrophobicContact CH2-CB 3.17Å; W135-P183 WeakPolarHBondContact CH2-O 3.46Å; W135-P183 HydrophobicContact CZ2-CB 3.94Å; W135-P183 HydrophobicContact CZ3-CB 3.43Å; W135-P183 VanDerWaalsContact CZ3-CB 3.43Å; W135-Y288 HydrophobicContact CZ3-CE2 4.2Å
136	P	63.1	Low	72.7	Confident	19 Å²	19	52.8 Å²	52.8	12%	0.123	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	126.4	-179.3	-31.8	38.4	0	0	0	115	S138 Q284	P136-S138 PolarHBondContact O-N 2.88Å; P136-Q284 HydrophobicContact CB-CB 4.46Å; P136-Q284 HydrophobicContact CB-CG 3.65Å; P136-Q284 HydrophobicContact CG-CB 3.79Å; P136-Q284 HydrophobicContact CG-CG 3.52Å
137	G	66.6	Low	72.9	Confident	38 Å²	38	50.9 Å²	50.9	39%	0.392	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	7.4	179	0	0	0	0	0	115.1	W135 P148	W135-G137 PolarHBondContact O-N 2.79Å; G137-P148 WeakPolarHBondContact O-CB 3.37Å; G137-P148 WeakPolarHBondContact O-CD 3.26Å
138	S	76.1	Confident	72.8	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.007	25%	0.249	C	C	.	.			trans	-76	140	167.5	69.1	0	0	0	0	110.1	C131 E132 W135 P136 M146	C131-S138 CarbonylContact C-O 3.4Å; C131-S138 VanDerWaalsContact CB-O 3.31Å; C131-S138 WeakPolarHBondContact CB-O 2.99Å; C131-S138 WeakPolarHBondContact CB-OG 3.45Å; C131-S138 PolarHBondContact O-OG 2.97Å; E132-S138 WeakPolarHBondContact CG-O 3.31Å; E132-S138 PolarHBondContact N-O 3.43Å; E132-S138 VanDerWaalsContact N-O 3.09Å; W135-S138 WeakPolarHBondContact O-CB 3.46Å; W135-S138 PolarHBondContact O-N 3.09Å; W135-S138 PolarHBondContact O-OG 2.89Å; P136-S138 PolarHBondContact O-N 2.88Å; S138-M146 CarbonylContact C-O 3.55Å; S138-M146 WeakPolarHBondContact CA-O 3.39Å; S138-M146 WeakPolarHBondContact CB-O 3.37Å
139	Y	82.4	Confident	72.6	Confident	86 Å²	86	58.1 Å²	58.1	34%	0.337	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	165.5	-172.6	65.6	-86.6	0	0	0	110.5	E141 C145 M146 C147	Y139-E141 HydrophobicContact CD2-CB 4.33Å; Y139-E141 HydrophobicContact CE2-CB 3.88Å; Y139-E141 HydrophobicContact CE2-CG 4.27Å; Y139-E141 VanDerWaalsContact CE2-OE2 3.22Å; Y139-E141 WeakPolarHBondContact CE2-OE2 2.98Å; Y139-E141 PolarHBondContact OH-OE2 3.07Å; Y139-C145 WeakPolarHBondContact O-CA 3.17Å; Y139-M146 HydrophobicContact CD1-CB 4.24Å; Y139-M146 HydrophobicContact CD2-CB 4.15Å; Y139-M146 HydrophobicContact CE1-CB 3.76Å; Y139-M146 HydrophobicContact CE2-CB 3.67Å; Y139-M146 HydrophobicContact CE2-CG 4.24Å; Y139-M146 HydrophobicContact CG-CB 4.4Å; Y139-M146 VanDerWaalsContact CZ-CB 3.42Å; Y139-M146 PolarHBondContact N-O 2.04Å; Y139-M146 PolarHBondContact O-N 3.04Å; Y139-C147 WeakPolarHBondContact CE1-O 3.43Å
140	C	82	Confident	72.5	Confident	26 Å²	26	54.4 Å²	54.4	18%	0.176	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.3	-179.8	-174.1	0	0	0	0	111	C125 S128	C125-C140 HydrophobicContact CB-CB 3.82Å; C125-C140 WeakPolarHBondContact CB-SG 3.31Å; C125-C140 PolarHBondContact O-SG 2.03Å; C125-C140 WeakPolarHBondContact SG-CA 3.38Å; C125-C140 WeakPolarHBondContact SG-CB 3.12Å; C125-C140 CovalentContact SG-SG 2.03Å; C125-C140 PolarHBondContact SG-SG 3.27Å; S128-C140 PolarHBondContact OG-N 2.02Å; S128-C140 VanDerWaalsContact OG-N 3.16Å
141	E	84	Confident	72.7	Confident	89 Å²	89	56 Å²	56	42%	0.416	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	124.7	177.4	-158.5	167.1	-161.1	0	0	108.9	Y139 G143 K144 M146	Y139-E141 HydrophobicContact CD2-CB 4.33Å; Y139-E141 HydrophobicContact CE2-CB 3.88Å; Y139-E141 HydrophobicContact CE2-CG 4.27Å; Y139-E141 VanDerWaalsContact CE2-OE2 3.22Å; Y139-E141 WeakPolarHBondContact CE2-OE2 2.98Å; Y139-E141 PolarHBondContact OH-OE2 3.07Å; E141-G143 PolarHBondContact O-N 3.26Å; E141-K144 PolarHBondContact N-O 3.02Å; E141-K144 PolarHBondContact O-N 2.97Å; E141-K144 VanDerWaalsContact O-O 3.12Å; E141-M146 HydrophobicContact CB-CB 4.31Å; E141-M146 HydrophobicContact CB-CG 3.45Å; E141-M146 VanDerWaalsContact CB-CG 3.45Å; E141-M146 HydrophobicContact CG-CG 4.44Å; E141-M146 WeakPolarHBondContact OE2-CG 3.3Å
142	E	81.9	Confident	72.6	Confident	181 Å²	181	61 Å²	61	85%	0.846	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	34	-179.5	-56.4	-170.8	156.6	0	0	115	K144	E142-K144 VanDerWaalsContact C-N 3.28Å; E142-K144 PolarHBondContact O-N 2.84Å
143	G	75.2	Confident	72.8	Confident	23 Å²	23	59.8 Å²	59.8	24%	0.237	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	5.1	-176.5	0	0	0	0	0	115.1	N124 C125 E141	N124-G143 CarbonylContact C-O 3.52Å; N124-G143 WeakPolarHBondContact CA-O 3.44Å; C125-G143 PolarHBondContact N-O 2.83Å; C125-G143 WeakPolarHBondContact O-CA 3.46Å; E141-G143 PolarHBondContact O-N 3.26Å
144	K	72.5	Confident	73.3	Confident	133 Å²	133	59.7 Å²	59.7	58%	0.578	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	140.4	176.6	-63.3	168.1	-170.8	156.5	0	110.5	C125 E141 E142 M146	C125-K144 PolarHBondContact SG-N 2.76Å; C125-K144 VanDerWaalsContact SG-N 3.41Å; C125-K144 PolarHBondContact SG-O 2.8Å; E141-K144 PolarHBondContact N-O 3.02Å; E141-K144 PolarHBondContact O-N 2.97Å; E141-K144 VanDerWaalsContact O-O 3.12Å; E142-K144 VanDerWaalsContact C-N 3.28Å; E142-K144 PolarHBondContact O-N 2.84Å; K144-M146 PolarHBondContact O-N 2.91Å
145	C	73.6	Confident	73.7	Confident	27 Å²	27	64.8 Å²	64.8	18%	0.182	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	111.7	170.6	-69.6	0	0	0	0	109.8	C131 Y139	C131-C145 WeakPolarHBondContact CA-SG 3Å; C131-C145 HydrophobicContact CB-CB 3.6Å; C131-C145 WeakPolarHBondContact CB-SG 3.49Å; C131-C145 WeakPolarHBondContact SG-CA 3.41Å; C131-C145 WeakPolarHBondContact SG-CB 3.3Å; C131-C145 CovalentContact SG-SG 2.04Å; C131-C145 PolarHBondContact SG-SG 2.91Å; Y139-C145 WeakPolarHBondContact O-CA 3.17Å
146	M	79.9	Confident	73.9	Confident	62 Å²	62	65.1 Å²	65.1	31%	0.305	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	143.2	179.8	-64.3	-63.1	-86.7	0	0	110.1	S138 Y139 E141 K144	S138-M146 CarbonylContact C-O 3.55Å; S138-M146 WeakPolarHBondContact CA-O 3.39Å; S138-M146 WeakPolarHBondContact CB-O 3.37Å; Y139-M146 HydrophobicContact CD1-CB 4.24Å; Y139-M146 HydrophobicContact CD2-CB 4.15Å; Y139-M146 HydrophobicContact CE1-CB 3.76Å; Y139-M146 HydrophobicContact CE2-CB 3.67Å; Y139-M146 HydrophobicContact CE2-CG 4.24Å; Y139-M146 HydrophobicContact CG-CB 4.4Å; Y139-M146 VanDerWaalsContact CZ-CB 3.42Å; Y139-M146 PolarHBondContact N-O 2.04Å; Y139-M146 PolarHBondContact O-N 3.04Å; E141-M146 HydrophobicContact CB-CB 4.31Å; E141-M146 HydrophobicContact CB-CG 3.45Å; E141-M146 VanDerWaalsContact CB-CG 3.45Å; E141-M146 HydrophobicContact CG-CG 4.44Å; E141-M146 WeakPolarHBondContact OE2-CG 3.3Å; K144-M146 PolarHBondContact O-N 2.91Å
147	C	76.2	Confident	74	Confident	10 Å²	10	65.9 Å²	65.9	7%	0.068	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-85	151.5	-172.6	-65.3	0	0	0	0	112.3	Y139 Q151 P153 C162	Y139-C147 WeakPolarHBondContact CE1-O 3.43Å; C147-Q151 HydrophobicContact CB-CB 3.71Å; C147-P153 WeakPolarHBondContact SG-CA 3.5Å; C147-C162 WeakPolarHBondContact CA-SG 3.4Å; C147-C162 HydrophobicContact CB-CB 3.52Å; C147-C162 WeakPolarHBondContact CB-SG 3.16Å; C147-C162 VanDerWaalsContact SG-CA 3.55Å; C147-C162 WeakPolarHBondContact SG-CB 3.37Å; C147-C162 CovalentContact SG-SG 2.02Å; C147-C162 PolarHBondContact SG-SG 2.04Å
148	P	73.7	Confident	74	Confident	30 Å²	30	65.1 Å²	65.1	20%	0.195	33%	0.33	C	S	.	.	S	Bend	trans	-57.7	151.8	177.8	20.2	-27.7	0	0	0	111	G137 G150 Q151	G137-P148 WeakPolarHBondContact O-CB 3.37Å; G137-P148 WeakPolarHBondContact O-CD 3.26Å; P148-G150 PolarHBondContact O-N 2.84Å; P148-Q151 HydrophobicContact CG-CG 4.39Å; P148-Q151 WeakPolarHBondContact O-CB 3.35Å; P148-Q151 PolarHBondContact O-N 3.48Å
149	R	72.3	Confident	73.4	Confident	260 Å²	260	66.5 Å²	66.5	98%	0.981	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	122.3	-170.3	-159.4	-179.5	-163.1	177	6.2	112.2
150	G	66	Low	72.6	Confident	41 Å²	41	64.5 Å²	64.5	42%	0.423	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	-2.1	-175.4	0	0	0	0	0	114.8	P148 A165	P148-G150 PolarHBondContact O-N 2.84Å; G150-A165 PolarHBondContact O-N 3.42Å
151	Q	72.1	Confident	72	Confident	38 Å²	38	63.8 Å²	63.8	18%	0.178	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	161.3	173.1	-59.9	-177	19.8	0	0	112.1	C147 P148 C162 H163 R164	C147-Q151 HydrophobicContact CB-CB 3.71Å; P148-Q151 HydrophobicContact CG-CG 4.39Å; P148-Q151 WeakPolarHBondContact O-CB 3.35Å; P148-Q151 PolarHBondContact O-N 3.48Å; Q151-C162 HydrophobicContact CB-CB 4.13Å; Q151-H163 CarbonylContact C-O 3.4Å; Q151-H163 WeakPolarHBondContact CA-O 3.35Å; Q151-H163 VanDerWaalsContact CB-O 3.3Å; Q151-H163 WeakPolarHBondContact CB-O 3.18Å; Q151-R164 HydrophobicContact CG-CG 4.05Å
152	Q	70.6	Confident	71.3	Confident	106 Å²	106	59.6 Å²	59.6	50%	0.495	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.4	180	-69.4	-70.1	-39.5	0	0	110.3	C162 H163 A165	Q152-C162 WeakPolarHBondContact O-CA 3.28Å; Q152-H163 PolarHBondContact N-O 3.41Å; Q152-H163 PolarHBondContact O-CD2 3.29Å; Q152-H163 VanDerWaalsContact O-CD2 3.24Å; Q152-H163 PolarHBondContact O-N 3.31Å; Q152-A165 HydrophobicContact CG-CB 3.89Å
153	P	70.8	Confident	70.6	Confident	57 Å²	57	51.6 Å²	51.6	37%	0.37	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	131.6	178.9	29.5	-32.6	0	0	0	112.1	C147 V160	C147-P153 WeakPolarHBondContact SG-CA 3.5Å; P153-V160 HydrophobicContact CB-CG1 3.43Å; P153-V160 VanDerWaalsContact CB-CG1 3.43Å
154	A	72.1	Confident	70	Confident	3 Å²	3	55 Å²	55	3%	0.025	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.9	171.4	0	0	0	0	0	109.9	V160 V161 I218 P219	A154-V160 WeakPolarHBondContact O-CA 3.33Å; A154-V161 HydrophobicContact CB-CG2 4.08Å; A154-V161 PolarHBondContact N-O 3.29Å; A154-V161 PolarHBondContact O-N 2.85Å; A154-I218 HydrophobicContact CB-CD1 3.99Å; A154-I218 HydrophobicContact CB-CG2 4.01Å; A154-P219 HydrophobicContact CB-CG 4.47Å
155	V	69.4	Low	69.2	Low	120 Å²	120	50.5 Å²	50.5	73%	0.727	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	124.5	179.4	-177	0	0	0	0	109.6	V160	V155-V160 HydrophobicContact CG2-CG2 4.45Å
156	T	70.3	Confident	68.2	Low	17 Å²	17	51.2 Å²	51.2	10%	0.104	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	172.8	173.6	72.9	0	0	0	0	110.4	D158 G159 V161 D216 I218	T156-D158 PolarHBondContact O-N 2.76Å; T156-D158 PolarHBondContact OG1-N 2.79Å; T156-G159 WeakPolarHBondContact CA-O 3.44Å; T156-G159 WeakPolarHBondContact CB-O 3.02Å; T156-G159 PolarHBondContact N-O 2.83Å; T156-G159 PolarHBondContact O-N 2.96Å; T156-G159 PolarHBondContact OG1-N 2.79Å; T156-G159 PolarHBondContact OG1-O 2.8Å; T156-V161 HydrophobicContact CG2-CB 4.45Å; T156-V161 HydrophobicContact CG2-CG1 3.97Å; T156-V161 HydrophobicContact CG2-CG2 3.66Å; T156-D216 HydrophobicContact CG2-CB 4.1Å; T156-I218 HydrophobicContact CG2-CD1 3.79Å
157	K	67.3	Low	66.5	Low	35 Å²	35	57.1 Å²	57.1	15%	0.152	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.6	171.3	65.1	-171.2	175.4	-178.7	0	114.4	P212 D216 N231 Y300	K157-P212 PolarHBondContact NZ-O 2.89Å; K157-D216 VanDerWaalsContact CE-OD1 3.3Å; K157-D216 WeakPolarHBondContact CE-OD1 3.44Å; K157-D216 IonicContact NZ-OD1 2.73Å; K157-N231 WeakPolarHBondContact CE-ND2 3.38Å; K157-N231 PolarHBondContact NZ-ND2 3.19Å; K157-Y300 HydrophobicContact CB-CE1 4.08Å; K157-Y300 HydrophobicContact CD-CE1 4.33Å; K157-Y300 HydrophobicContact CD-CE2 4.24Å; K157-Y300 HydrophobicContact CG-CE1 4.1Å
158	D	65.3	Low	64.8	Low	23 Å²	23	65.2 Å²	65.2	12%	0.123	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-0.7	-178.3	-77.8	-61.6	0	0	0	113.2	T156 R232 Y300	T156-D158 PolarHBondContact O-N 2.76Å; T156-D158 PolarHBondContact OG1-N 2.79Å; D158-R232 HydrophobicContact CB-CB 4.07Å; D158-R232 PolarHBondContact O-NH1 2.92Å; D158-R232 VanDerWaalsContact OD2-CB 3.28Å; D158-R232 WeakPolarHBondContact OD2-CB 3.39Å; D158-Y300 PolarHBondContact OD1-OH 2.83Å; D158-Y300 PolarHBondContact OD2-OH 2.9Å
159	G	63.3	Low	62.9	Low	29 Å²	29	66.9 Å²	66.9	30%	0.299	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	129.3	-169	-177.7	0	0	0	0	0	113.4	T156	T156-G159 WeakPolarHBondContact CA-O 3.44Å; T156-G159 WeakPolarHBondContact CB-O 3.02Å; T156-G159 PolarHBondContact N-O 2.83Å; T156-G159 PolarHBondContact O-N 2.96Å; T156-G159 PolarHBondContact OG1-N 2.79Å; T156-G159 PolarHBondContact OG1-O 2.8Å
160	V	66.1	Low	60.9	Low	45 Å²	45	65.6 Å²	65.6	27%	0.273	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	121.3	171.9	179.4	0	0	0	0	109	V134 P153 A154 V155	V134-V160 VanDerWaalsContact CG1-O 3.3Å; V134-V160 WeakPolarHBondContact CG1-O 3.36Å; P153-V160 HydrophobicContact CB-CG1 3.43Å; P153-V160 VanDerWaalsContact CB-CG1 3.43Å; A154-V160 WeakPolarHBondContact O-CA 3.33Å; V155-V160 HydrophobicContact CG2-CG2 4.45Å
161	V	68.6	Low	59.3	Low	11 Å²	11	72.2 Å²	72.2	7%	0.067	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	158.7	170.7	-55.3	0	0	0	0	109.6	W135 A154 T156 P183 I218	W135-V161 HydrophobicContact CE3-CB 3.81Å; W135-V161 HydrophobicContact CE3-CG1 4.23Å; W135-V161 HydrophobicContact CZ3-CB 4.23Å; A154-V161 HydrophobicContact CB-CG2 4.08Å; A154-V161 PolarHBondContact N-O 3.29Å; A154-V161 PolarHBondContact O-N 2.85Å; T156-V161 HydrophobicContact CG2-CB 4.45Å; T156-V161 HydrophobicContact CG2-CG1 3.97Å; T156-V161 HydrophobicContact CG2-CG2 3.66Å; V161-P183 HydrophobicContact CB-CG 4.46Å; V161-P183 HydrophobicContact CG2-CG 3.91Å; V161-I218 HydrophobicContact CG2-CD1 3.71Å
162	C	70.9	Confident	57.4	Low	1 Å²	1	79.1 Å²	79.1	1%	0.007	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	143.6	179.4	-57.8	0	0	0	0	112.2	W135 C147 Q151 Q152 P183	W135-C162 VanDerWaalsContact CD1-SG 3.52Å; W135-C162 HydrophobicContact CD2-CB 4.03Å; W135-C162 HydrophobicContact CG-CB 3.72Å; W135-C162 WeakPolarHBondContact CZ2-O 3.19Å; C147-C162 WeakPolarHBondContact CA-SG 3.4Å; C147-C162 HydrophobicContact CB-CB 3.52Å; C147-C162 WeakPolarHBondContact CB-SG 3.16Å; C147-C162 VanDerWaalsContact SG-CA 3.55Å; C147-C162 WeakPolarHBondContact SG-CB 3.37Å; C147-C162 CovalentContact SG-SG 2.02Å; C147-C162 PolarHBondContact SG-SG 2.04Å; Q151-C162 HydrophobicContact CB-CB 4.13Å; Q152-C162 WeakPolarHBondContact O-CA 3.28Å; C162-P183 WeakPolarHBondContact O-CB 3.42Å
163	H	67.4	Low	55.7	Low	13 Å²	13	81.4 Å²	81.4	6%	0.06	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	152.1	175	67.5	94.2	0	0	0	110.3	Q151 Q152 I218 P219	Q151-H163 CarbonylContact C-O 3.4Å; Q151-H163 WeakPolarHBondContact CA-O 3.35Å; Q151-H163 VanDerWaalsContact CB-O 3.3Å; Q151-H163 WeakPolarHBondContact CB-O 3.18Å; Q152-H163 PolarHBondContact N-O 3.41Å; Q152-H163 PolarHBondContact O-CD2 3.29Å; Q152-H163 VanDerWaalsContact O-CD2 3.24Å; Q152-H163 PolarHBondContact O-N 3.31Å; H163-I218 HydrophobicContact CB-CG2 4.07Å; H163-P219 PolarHBondContact CE1-O 2.87Å; H163-P219 VanDerWaalsContact CE1-O 3.3Å
164	R	61.1	Low	53.7	Low	94 Å²	94	86 Å²	86	36%	0.355	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	141.4	176.9	-74.2	-169.7	-177.6	-158.5	6	111.4	Q151 E187 A221	Q151-R164 HydrophobicContact CG-CG 4.05Å; R164-E187 IonicContact CZ-OE1 3.62Å; R164-E187 IonicContact CZ-OE2 2.94Å; R164-E187 VanDerWaalsContact CZ-OE2 3.32Å; R164-E187 IonicContact NE-OE1 2.68Å; R164-E187 IonicContact NH1-OE1 3.04Å; R164-E187 PolarHBondContact NH1-OE1 3.42Å; R164-E187 IonicContact NH1-OE2 2.94Å; R164-E187 PolarHBondContact NH1-OE2 3.13Å; R164-E187 IonicContact NH2-OE2 3.04Å; R164-A221 WeakPolarHBondContact O-CB 3.31Å
165	A	56.4	Low	51.8	Low	38 Å²	38	94.3 Å²	94.3	31%	0.314	49%	0.491	S	S	.	.			trans	-84.8	142.7	162.3	0	0	0	0	0	109.7	G150 Q152 Q167	G150-A165 PolarHBondContact O-N 3.42Å; Q152-A165 HydrophobicContact CG-CB 3.89Å; A165-Q167 PolarHBondContact O-N 2.9Å
166	G	52	Low	50.1	Low	43 Å²	43	98.9 Å²	98.9	44%	0.443	50%	0.502	S	S	.	.			trans	-74.6	93	-175.6	0	0	0	0	0	112.3	F168 A221	G166-F168 PolarHBondContact O-N 3.06Å; G166-A221 PolarHBondContact N-O 2.98Å
167	Q	44.3	Very low	48.5	Very low	185 Å²	185	103.9 Å²	103.9	86%	0.864	53%	0.528	S	S	*	.			trans	-73.7	80.1	166.2	-79.9	-167.8	-29.2	0	0	110.6	A165 G169	A165-Q167 PolarHBondContact O-N 2.9Å; Q167-G169 VanDerWaalsContact C-N 3.25Å; Q167-G169 PolarHBondContact O-N 3.48Å
168	F	40	Very low	47.2	Very low	180 Å²	180	105.8 Å²	105.8	79%	0.789	54%	0.542	S	S	*	.			trans	-70.1	86.4	161.8	-96.3	-78	0	0	0	110	G166 R170	G166-F168 PolarHBondContact O-N 3.06Å; F168-R170 PolarHBondContact O-N 3.01Å; F168-R170 VanDerWaalsContact O-N 3.15Å
169	G	34.4	Very low	46.3	Very low	65 Å²	65	108.8 Å²	108.8	67%	0.67	56%	0.558	S	S	*	*			trans	-61.3	110	155.3	0	0	0	0	0	108.6	Q167 H171	Q167-G169 VanDerWaalsContact C-N 3.25Å; Q167-G169 PolarHBondContact O-N 3.48Å; G169-H171 PolarHBondContact O-N 2.83Å
170	R	30.8	Very low	45.7	Very low	233 Å²	233	112.7 Å²	112.7	88%	0.879	56%	0.563	S	S	*	*	S	Bend	trans	-58.1	108.7	166.5	-74	178.4	172.4	-177	-2.4	107.8	F168	F168-R170 PolarHBondContact O-N 3.01Å; F168-R170 VanDerWaalsContact O-N 3.15Å
171	H	31.7	Very low	45.3	Very low	180 Å²	180	111.8 Å²	111.8	83%	0.833	56%	0.556	S	S	*	*			trans	151.9	84.1	151.6	-84.9	-69.9	0	0	0	111.2	G169	G169-H171 PolarHBondContact O-N 2.83Å
172	M	32.7	Very low	45.1	Very low	183 Å²	183	111.5 Å²	111.5	90%	0.901	56%	0.555	S	S	*	*				177.4	112.3	128.5	-96.9	-175.8	-132.8	0	0	111.5
173	L	34.2	Very low	44.5	Very low	154 Å²	154	112.5 Å²	112.5	81%	0.806	56%	0.561	S	S	*	*			trans	34.4	108.9	143.5	-55.9	174.5	0	0	0	120.5
174	N	29.4	Very low	44	Very low	155 Å²	155	112.9 Å²	112.9	83%	0.829	56%	0.563	S	S	*	*			trans	70.6	141.5	144.4	-62.4	-5.1	0	0	0	121.2
175	E	33.3	Very low	43.6	Very low	176 Å²	176	109.3 Å²	109.3	82%	0.822	55%	0.552	S	S	*	*			trans	68	82.3	170.7	-58.3	-160.9	140.2	0	0	119.4	L177	E175-L177 PolarHBondContact O-N 3.3Å
176	F	32.4	Very low	43.4	Very low	216 Å²	216	111.3 Å²	111.3	95%	0.947	56%	0.555	S	S	*	*				34.8	48.3	123.8	-102.1	-84.7	0	0	0	120.2
177	L	37.6	Very low	43.4	Very low	123 Å²	123	113.6 Å²	113.6	64%	0.644	55%	0.554	S	S	*	*			trans	-110.4	92.7	166.2	-79.3	165	0	0	0	111.5	E175 L179	E175-L177 PolarHBondContact O-N 3.3Å; L177-L179 PolarHBondContact O-N 2.83Å
178	T	38.6	Very low	43.7	Very low	75 Å²	75	104.8 Å²	104.8	46%	0.46	51%	0.513	S	S	.	.			trans	-68.9	97.1	165	52.8	0	0	0	0	109.1	R180	T178-R180 PolarHBondContact O-N 3.08Å
179	L	46.3	Very low	44.1	Very low	85 Å²	85	103.3 Å²	103.3	45%	0.445	51%	0.509	S	S	.	.			trans	-64.6	105.3	-179.1	-68.5	166.9	0	0	0	111	L177 F181	L177-L179 PolarHBondContact O-N 2.83Å; L179-F181 HydrophobicContact CB-CD2 4.05Å; L179-F181 HydrophobicContact CB-CE2 3.49Å; L179-F181 VanDerWaalsContact CB-CE2 3.49Å; L179-F181 HydrophobicContact CB-CZ 3.84Å; L179-F181 HydrophobicContact CD1-CE2 3.9Å; L179-F181 HydrophobicContact CD1-CZ 3.99Å; L179-F181 HydrophobicContact CD2-CE2 4.47Å; L179-F181 HydrophobicContact CD2-CZ 3.97Å; L179-F181 HydrophobicContact CG-CE2 4.15Å; L179-F181 HydrophobicContact CG-CZ 4.15Å; L179-F181 PolarHBondContact O-N 3.04Å
180	R	52.2	Low	45	Very low	111 Å²	111	103.2 Å²	103.2	42%	0.419	49%	0.493	S	S	.	.			trans	-88.3	90	178.5	-52	-175.7	-170.1	-155.2	3.1	109.8	T178 N191 V194 M227	T178-R180 PolarHBondContact O-N 3.08Å; R180-N191 WeakPolarHBondContact O-CB 3.16Å; R180-N191 PolarHBondContact O-ND2 3.42Å; R180-V194 HydrophobicContact CB-CG2 3.76Å; R180-V194 WeakPolarHBondContact O-CG2 3.04Å; R180-M227 HydrophobicContact CB-SD 4.18Å
181	F	56.8	Low	46.2	Very low	26 Å²	26	93.1 Å²	93.1	11%	0.114	46%	0.456	C	S	.	.			trans	-93.2	113.6	177.1	-63.1	-61.3	0	0	0	112.7	L179 E187 N191 M227	L179-F181 HydrophobicContact CB-CD2 4.05Å; L179-F181 HydrophobicContact CB-CE2 3.49Å; L179-F181 VanDerWaalsContact CB-CE2 3.49Å; L179-F181 HydrophobicContact CB-CZ 3.84Å; L179-F181 HydrophobicContact CD1-CE2 3.9Å; L179-F181 HydrophobicContact CD1-CZ 3.99Å; L179-F181 HydrophobicContact CD2-CE2 4.47Å; L179-F181 HydrophobicContact CD2-CZ 3.97Å; L179-F181 HydrophobicContact CG-CE2 4.15Å; L179-F181 HydrophobicContact CG-CZ 4.15Å; L179-F181 PolarHBondContact O-N 3.04Å; F181-E187 HydrophobicContact CE1-CG 4.18Å; F181-E187 HydrophobicContact CZ-CG 4.02Å; F181-N191 HydrophobicContact CD1-CB 4.06Å; F181-M227 VanDerWaalsContact O-CE 3.28Å; F181-M227 WeakPolarHBondContact O-CE 3.38Å
182	C	65.9	Low	47.5	Very low	6 Å²	6	86.4 Å²	86.4	4%	0.041	43%	0.429	C	S	.	.			trans	-71.9	163.1	157.1	-75.4	0	0	0	0	110	L184 N191 V194 C229	C182-L184 VanDerWaalsContact C-N 3.3Å; C182-L184 PolarHBondContact O-N 3.09Å; C182-N191 PolarHBondContact N-ND2 3.5Å; C182-V194 WeakPolarHBondContact SG-CG2 2.98Å; C182-C229 WeakPolarHBondContact CA-SG 2.99Å; C182-C229 HydrophobicContact CB-CB 3.73Å; C182-C229 WeakPolarHBondContact CB-SG 3.33Å; C182-C229 WeakPolarHBondContact SG-CA 3.45Å; C182-C229 WeakPolarHBondContact SG-CB 3.46Å; C182-C229 CovalentContact SG-SG 2.04Å; C182-C229 PolarHBondContact SG-SG 3.49Å
183	P	56.9	Low	49.1	Very low	22 Å²	22	77.8 Å²	77.8	14%	0.143	39%	0.386	C	S	.	.	S	Bend	trans	-60.4	89.5	173.5	-22.1	34.7	0	0	0	111.5	W135 V161 C162 I218	W135-P183 HydrophobicContact CE3-CB 4.41Å; W135-P183 HydrophobicContact CH2-CB 3.17Å; W135-P183 WeakPolarHBondContact CH2-O 3.46Å; W135-P183 HydrophobicContact CZ2-CB 3.94Å; W135-P183 HydrophobicContact CZ3-CB 3.43Å; W135-P183 VanDerWaalsContact CZ3-CB 3.43Å; V161-P183 HydrophobicContact CB-CG 4.46Å; V161-P183 HydrophobicContact CG2-CG 3.91Å; C162-P183 WeakPolarHBondContact O-CB 3.42Å; P183-I218 HydrophobicContact CG-CG1 4.29Å; P183-I218 HydrophobicContact CG-CG2 4.43Å
184	L	58.1	Low	50.8	Low	20 Å²	20	71 Å²	71	11%	0.105	35%	0.351	C	S	.	.			trans	-110	142.9	165.4	-62.5	-177.9	0	0	0	107.5	C182 E186 V188 N191 A276	C182-L184 VanDerWaalsContact C-N 3.3Å; C182-L184 PolarHBondContact O-N 3.09Å; L184-E186 PolarHBondContact O-N 3.1Å; L184-E186 VanDerWaalsContact O-N 3.14Å; L184-V188 HydrophobicContact CD1-CG2 4.03Å; L184-N191 WeakPolarHBondContact CD1-OD1 3.31Å; L184-A276 VanDerWaalsContact CD2-CA 3.41Å; L184-A276 HydrophobicContact CD2-CB 3.78Å
185	P	51.8	Low	52.7	Low	20 Å²	20	63.6 Å²	63.6	13%	0.13	31%	0.312	C	S	.	.	S	Bend	trans	-71.1	-3.5	178.7	25.7	-30.1	0	0	0	114.2	S278 L280	P185-S278 VanDerWaalsContact CD-O 3.3Å; P185-S278 WeakPolarHBondContact CD-O 3.46Å; P185-S278 WeakPolarHBondContact CG-O 3.3Å; P185-L280 HydrophobicContact CB-CD1 4.16Å; P185-L280 HydrophobicContact CB-CG 4.12Å
186	E	53.3	Low	54.2	Low	80 Å²	80	57.7 Å²	57.7	37%	0.374	29%	0.289	S	S	.	.	S	Bend	trans	-160.4	166.7	161.6	-126.2	176.8	172.8	0	0	114.1	L184 V188 R252	L184-E186 PolarHBondContact O-N 3.1Å; L184-E186 VanDerWaalsContact O-N 3.14Å; E186-V188 PolarHBondContact O-N 3.02Å; E186-R252 IonicContact OE2-NH2 2.8Å; E186-R252 PolarHBondContact OE2-NH2 3.47Å
187	E	51.5	Low	55.7	Low	90 Å²	90	53.4 Å²	53.4	42%	0.421	28%	0.276	S	S	.	.			trans	-71.5	120.1	-171.9	-76.4	170.7	150.2	0	0	114	R164 F181	R164-E187 IonicContact CZ-OE1 3.62Å; R164-E187 IonicContact CZ-OE2 2.94Å; R164-E187 VanDerWaalsContact CZ-OE2 3.32Å; R164-E187 IonicContact NE-OE1 2.68Å; R164-E187 IonicContact NH1-OE1 3.04Å; R164-E187 PolarHBondContact NH1-OE1 3.42Å; R164-E187 IonicContact NH1-OE2 2.94Å; R164-E187 PolarHBondContact NH1-OE2 3.13Å; R164-E187 IonicContact NH2-OE2 3.04Å; F181-E187 HydrophobicContact CE1-CG 4.18Å; F181-E187 HydrophobicContact CZ-CG 4.02Å
188	V	50.4	Low	57	Low	1 Å²	1	48.2 Å²	48.2	1%	0.006	25%	0.252	C	S	.	.			trans	-99.6	123.8	160.1	-174.5	0	0	0	0	107	L184 E186 N190 N191 F267 S271 A274	L184-V188 HydrophobicContact CD1-CG2 4.03Å; E186-V188 PolarHBondContact O-N 3.02Å; V188-N190 PolarHBondContact O-N 2.94Å; V188-N191 PolarHBondContact O-N 3.29Å; V188-F267 HydrophobicContact CG2-CZ 3.81Å; V188-S271 WeakPolarHBondContact CG1-O 3.48Å; V188-A274 HydrophobicContact CB-CB 4.24Å; V188-A274 HydrophobicContact CG1-CB 3.82Å; V188-A274 HydrophobicContact CG2-CB 3.68Å
189	Q	47.8	Very low	58.3	Low	148 Å²	148	51.1 Å²	51.1	69%	0.692	26%	0.258	S	S	*	.	S	Bend	trans	-54.5	-28.7	-172.9	-73.3	-176.3	-15.7	0	0	113.7
190	N	53	Low	59.4	Low	63 Å²	63	48 Å²	48	34%	0.337	24%	0.243	S	C	.	.	S	Bend	trans	-125.3	92	170.5	-63.1	-79.9	0	0	0	107.9	V188 P192 R272	V188-N190 PolarHBondContact O-N 2.94Å; N190-P192 WeakPolarHBondContact O-CD 3.25Å; N190-R272 HydrophobicContact CB-CB 4.47Å; N190-R272 HydrophobicContact CB-CG 4.4Å
191	N	57.3	Low	59.7	Low	21 Å²	21	48.6 Å²	48.6	11%	0.112	25%	0.25	C	S	.	.			trans	-71.4	112.1	-179.9	170.2	34.3	0	0	0	111.1	R180 F181 C182 L184 V188 S193 V194	R180-N191 WeakPolarHBondContact O-CB 3.16Å; R180-N191 PolarHBondContact O-ND2 3.42Å; F181-N191 HydrophobicContact CD1-CB 4.06Å; C182-N191 PolarHBondContact N-ND2 3.5Å; L184-N191 WeakPolarHBondContact CD1-OD1 3.31Å; V188-N191 PolarHBondContact O-N 3.29Å; N191-S193 WeakPolarHBondContact OD1-CB 3.08Å; N191-S193 PolarHBondContact OD1-N 3.1Å; N191-V194 WeakPolarHBondContact ND2-CG2 3.03Å
192	P	58.8	Low	59.5	Low	40 Å²	40	49.7 Å²	49.7	26%	0.26	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	21.5	-177.3	38.8	-24.1	0	0	0	111.3	N190 R272 A274 F381	N190-P192 WeakPolarHBondContact O-CD 3.25Å; P192-R272 WeakPolarHBondContact CG-O 3.4Å; P192-A274 WeakPolarHBondContact CD-O 2.91Å; P192-A274 HydrophobicContact CG-CB 4.41Å; P192-A274 WeakPolarHBondContact CG-O 2.93Å; P192-F381 WeakPolarHBondContact O-CE1 3.48Å; P192-F381 WeakPolarHBondContact O-CZ 3.36Å
193	S	65.9	Low	58.6	Low	1 Å²	1	52.8 Å²	52.8	1%	0.007	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-0.3	173.1	-66.1	0	0	0	0	113.4	N191 P230 A274 A276	N191-S193 WeakPolarHBondContact OD1-CB 3.08Å; N191-S193 PolarHBondContact OD1-N 3.1Å; S193-P230 WeakPolarHBondContact O-CD 3.06Å; S193-A274 PolarHBondContact OG-O 3.2Å; S193-A276 PolarHBondContact OG-N 2.93Å
194	V	68.8	Low	58.1	Low	11 Å²	11	56.4 Å²	56.4	7%	0.067	31%	0.313	C	S	.	.	S	Bend	trans	-87.7	126.6	177.2	-175.6	0	0	0	0	109.6	R180 C182 N191 P196 M227 C228 F381	R180-V194 HydrophobicContact CB-CG2 3.76Å; R180-V194 WeakPolarHBondContact O-CG2 3.04Å; C182-V194 WeakPolarHBondContact SG-CG2 2.98Å; N191-V194 WeakPolarHBondContact ND2-CG2 3.03Å; V194-P196 VanDerWaalsContact O-CD 3.31Å; V194-P196 WeakPolarHBondContact O-CD 3.42Å; V194-P196 VanDerWaalsContact O-N 3.16Å; V194-M227 HydrophobicContact CG1-CB 4.11Å; V194-M227 HydrophobicContact CG1-SD 4.32Å; V194-M227 HydrophobicContact CG2-SD 3.75Å; V194-C228 WeakPolarHBondContact CA-O 2.98Å; V194-F381 WeakPolarHBondContact O-CE1 2.99Å; V194-F381 WeakPolarHBondContact O-CZ 3.37Å
195	L	70.6	Confident	57.7	Low	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-55.7	119.4	174.7	-179.1	67.7	0	0	0	110	N197 G198 C208 E209 M211 Y215 C228 F381	L195-N197 PolarHBondContact O-N 2.75Å; L195-G198 PolarHBondContact O-N 2.99Å; L195-G198 VanDerWaalsContact O-N 3.11Å; L195-C208 HydrophobicContact CD2-CB 4.27Å; L195-E209 HydrophobicContact CD2-CB 4.36Å; L195-E209 HydrophobicContact CD2-CG 4.19Å; L195-M211 HydrophobicContact CD1-CE 3.85Å; L195-M211 HydrophobicContact CD2-CE 3.69Å; L195-M211 HydrophobicContact CG-CE 4.44Å; L195-Y215 HydrophobicContact CB-CD1 4.03Å; L195-Y215 HydrophobicContact CB-CE1 3.89Å; L195-Y215 HydrophobicContact CD1-CE2 4.42Å; L195-C228 HydrophobicContact CB-CB 3.68Å; L195-C228 HydrophobicContact CD2-CB 4.13Å; L195-C228 PolarHBondContact N-O 3.46Å; L195-F381 HydrophobicContact CD1-CB 3.74Å; L195-F381 HydrophobicContact CD1-CG 4.39Å
196	P	63.7	Low	57.7	Low	52 Å²	52	67.9 Å²	67.9	34%	0.338	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	133.3	177.6	-25.5	35.2	0	0	0	110.1	V194 G198 F381	V194-P196 VanDerWaalsContact O-CD 3.31Å; V194-P196 WeakPolarHBondContact O-CD 3.42Å; V194-P196 VanDerWaalsContact O-N 3.16Å; P196-G198 PolarHBondContact O-N 3.11Å; P196-F381 VanDerWaalsContact CD-CE2 3.49Å; P196-F381 VanDerWaalsContact CD-CG 3.48Å; P196-F381 HydrophobicContact CG-CD2 3.59Å; P196-F381 HydrophobicContact CG-CE2 3.41Å; P196-F381 VanDerWaalsContact CG-CE2 3.41Å; P196-F381 HydrophobicContact CG-CG 4.26Å; P196-F381 HydrophobicContact CG-CZ 3.91Å
197	N	65.2	Low	58.3	Low	127 Å²	127	65.7 Å²	65.7	68%	0.679	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	2	-176.6	-53.8	-32.8	0	0	0	117.2	L195 K199	L195-N197 PolarHBondContact O-N 2.75Å; N197-K199 PolarHBondContact O-N 3.36Å
198	G	65.2	Low	59.3	Low	13 Å²	13	61.4 Å²	61.4	13%	0.134	33%	0.334	C	S	.	.			trans	-53.2	105.9	-178.9	0	0	0	0	0	113.5	L195 P196	L195-G198 PolarHBondContact O-N 2.99Å; L195-G198 VanDerWaalsContact O-N 3.11Å; P196-G198 PolarHBondContact O-N 3.11Å
199	K	65.9	Low	60.2	Low	136 Å²	136	66.5 Å²	66.5	59%	0.591	36%	0.357	S	S	*	.			trans	-87.8	148.4	175.7	-78.3	179.6	158.6	-138.9	0	112.1	N197 E201 C208	N197-K199 PolarHBondContact O-N 3.36Å; K199-E201 WeakPolarHBondContact CD-OE1 3.07Å; K199-E201 WeakPolarHBondContact CE-OE1 3.2Å; K199-E201 IonicContact NZ-OE1 3.32Å; K199-E201 PolarHBondContact NZ-OE1 2.99Å; K199-C208 PolarHBondContact O-N 2.96Å; K199-C208 VanDerWaalsContact O-N 3.14Å
200	C	68.7	Low	61.1	Low	20 Å²	20	61.8 Å²	61.8	14%	0.135	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-133.3	91.5	-179.5	-69.4	0	0	0	0	107.6	C217 Y226 C228	C200-C217 HydrophobicContact CB-CB 3.9Å; C200-C217 WeakPolarHBondContact CB-SG 3.41Å; C200-C217 WeakPolarHBondContact SG-CB 3.4Å; C200-C217 CovalentContact SG-SG 2.02Å; C200-C217 PolarHBondContact SG-SG 2.02Å; C200-Y226 VanDerWaalsContact CB-CB 3.4Å; C200-Y226 HydrophobicContact CB-CG 4.22Å; C200-C228 PolarHBondContact SG-SG 2.85Å
201	E	58.5	Low	62	Low	123 Å²	123	59.8 Å²	59.8	58%	0.575	34%	0.337	S	S	*	.			trans	-126.8	109.7	-175.8	-67.4	176.6	-167.1	0	0	108.7	K199	K199-E201 WeakPolarHBondContact CD-OE1 3.07Å; K199-E201 WeakPolarHBondContact CE-OE1 3.2Å; K199-E201 IonicContact NZ-OE1 3.32Å; K199-E201 PolarHBondContact NZ-OE1 2.99Å
202	G	52	Low	62.6	Low	49 Å²	49	61.3 Å²	61.3	51%	0.505	35%	0.348	S	S	.	.	S	Bend	trans	67.9	123.1	171.4	0	0	0	0	0	119.9	Q206 H207	G202-Q206 WeakPolarHBondContact O-CB 3.39Å; G202-H207 PolarHBondContact N-CE1 3.5Å; G202-H207 PolarHBondContact O-CE1 3.37Å
203	S	47.6	Very low	63.3	Low	72 Å²	72	61.2 Å²	61.2	50%	0.503	35%	0.345	S	S	.	.	S	Bend	trans	58.8	154.7	166.5	67.2	0	0	0	0	119.4	E205 Q206 H207	S203-E205 PolarHBondContact O-N 3.46Å; S203-E205 VanDerWaalsContact O-N 3.09Å; S203-Q206 PolarHBondContact O-N 3.14Å; S203-H207 PolarHBondContact O-CE1 3.27Å; S203-H207 VanDerWaalsContact O-CE1 3.27Å; S203-H207 PolarHBondContact O-ND1 2.02Å
204	V	45.5	Very low	64	Low	98 Å²	98	61.1 Å²	61.1	59%	0.594	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.3	-163.6	-177.2	0	0	0	0	114.1
205	E	49.7	Very low	64.6	Low	145 Å²	145	60.8 Å²	60.8	68%	0.678	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-12.8	-179.7	-62.6	84.4	-174	0	0	116.3	S203	S203-E205 PolarHBondContact O-N 3.46Å; S203-E205 VanDerWaalsContact O-N 3.09Å
206	Q	52.1	Low	64.9	Low	136 Å²	136	61.8 Å²	61.8	64%	0.636	35%	0.348	S	S	*	.	S	Bend	trans	-107.4	41.4	-167.7	-56.4	-170.4	-40.4	0	0	114.3	G202 S203	G202-Q206 WeakPolarHBondContact O-CB 3.39Å; S203-Q206 PolarHBondContact O-N 3.14Å
207	H	66.1	Low	65.6	Low	34 Å²	34	60.1 Å²	60.1	16%	0.157	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-124.1	132.1	-159.6	-85.1	19.1	0	0	0	112.4	G202 S203 C217	G202-H207 PolarHBondContact N-CE1 3.5Å; G202-H207 PolarHBondContact O-CE1 3.37Å; S203-H207 PolarHBondContact O-CE1 3.27Å; S203-H207 VanDerWaalsContact O-CE1 3.27Å; S203-H207 PolarHBondContact O-ND1 2.02Å; H207-C217 HydrophobicContact CB-CB 4.33Å; H207-C217 WeakPolarHBondContact CB-SG 3.5Å; H207-C217 PolarHBondContact CD2-SG 3.25Å
208	C	72.2	Confident	66	Low	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.306	C	S	.	.	S	Bend	trans	67.9	67	-179.2	-56	0	0	0	0	116.6	L195 K199 G210 M211 Y215 C217 C228	L195-C208 HydrophobicContact CD2-CB 4.27Å; K199-C208 PolarHBondContact O-N 2.96Å; K199-C208 VanDerWaalsContact O-N 3.14Å; C208-G210 PolarHBondContact O-N 2.82Å; C208-M211 WeakPolarHBondContact O-CB 3.46Å; C208-M211 PolarHBondContact O-N 3.3Å; C208-Y215 HydrophobicContact CB-CG 4.41Å; C208-C217 PolarHBondContact SG-SG 2.96Å; C208-C228 WeakPolarHBondContact CA-SG 3.31Å; C208-C228 HydrophobicContact CB-CB 3.76Å; C208-C228 WeakPolarHBondContact CB-SG 3.34Å; C208-C228 WeakPolarHBondContact SG-CA 3.39Å; C208-C228 WeakPolarHBondContact SG-CB 3.41Å; C208-C228 CovalentContact SG-SG 2.02Å; C208-C228 PolarHBondContact SG-SG 3.48Å
209	E	69.9	Low	66.2	Low	108 Å²	108	55.5 Å²	55.5	51%	0.505	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	30.4	170.7	-58.3	-170.8	156.1	0	0	114.6	L195 M211	L195-E209 HydrophobicContact CD2-CB 4.36Å; L195-E209 HydrophobicContact CD2-CG 4.19Å; E209-M211 VanDerWaalsContact C-N 3.35Å; E209-M211 HydrophobicContact CB-CE 4.23Å
210	G	65.7	Low	66.3	Low	48 Å²	48	51.5 Å²	51.5	50%	0.495	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	22.6	-176.3	0	0	0	0	0	114.1	C208 P212	C208-G210 PolarHBondContact O-N 2.82Å; G210-P212 WeakPolarHBondContact O-CD 3.33Å
211	M	73.3	Confident	65.8	Low	22 Å²	22	51.6 Å²	51.6	11%	0.108	30%	0.295	C	S	.	.			trans	-115.6	46.5	174.2	-57.6	-173	-83.8	0	0	113.8	L195 C208 E209 D213 L214 Y215	L195-M211 HydrophobicContact CD1-CE 3.85Å; L195-M211 HydrophobicContact CD2-CE 3.69Å; L195-M211 HydrophobicContact CG-CE 4.44Å; C208-M211 WeakPolarHBondContact O-CB 3.46Å; C208-M211 PolarHBondContact O-N 3.3Å; E209-M211 VanDerWaalsContact C-N 3.35Å; E209-M211 HydrophobicContact CB-CE 4.23Å; M211-D213 PolarHBondContact O-N 3.44Å; M211-D213 VanDerWaalsContact O-N 3.13Å; M211-L214 HydrophobicContact CB-CB 4.35Å; M211-L214 HydrophobicContact CB-CD1 4.5Å; M211-L214 PolarHBondContact O-N 3.37Å; M211-L214 HydrophobicContact SD-CD1 4.24Å; M211-Y215 HydrophobicContact CB-CD2 4.11Å; M211-Y215 PolarHBondContact O-N 3.37Å
212	P	69	Low	65.8	Low	53 Å²	53	48.3 Å²	48.3	34%	0.344	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.8	-180	32	-37.6	0	0	0	112.7	K157 G210 L214	K157-P212 PolarHBondContact NZ-O 2.89Å; G210-P212 WeakPolarHBondContact O-CD 3.33Å; P212-L214 VanDerWaalsContact C-N 3.34Å
213	D	73.2	Confident	66.3	Low	37 Å²	37	52.4 Å²	52.4	20%	0.198	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-16.4	172.5	64.9	-40.9	0	0	0	113.4	M211 N231 S297 R345	M211-D213 PolarHBondContact O-N 3.44Å; M211-D213 VanDerWaalsContact O-N 3.13Å; D213-N231 PolarHBondContact O-ND2 3.05Å; D213-S297 PolarHBondContact O-OG 3.22Å; D213-R345 IonicContact OD1-CZ 3.48Å; D213-R345 IonicContact OD1-NE 3.56Å; D213-R345 PolarHBondContact OD1-NE 2.6Å; D213-R345 IonicContact OD1-NH2 2.75Å; D213-R345 PolarHBondContact OD1-NH2 2.95Å; D213-R345 VanDerWaalsContact OD2-CG 3.28Å; D213-R345 WeakPolarHBondContact OD2-CG 3.14Å; D213-R345 IonicContact OD2-CZ 3.3Å; D213-R345 IonicContact OD2-NE 3.84Å; D213-R345 PolarHBondContact OD2-NE 2.81Å; D213-R345 IonicContact OD2-NH2 3.74Å
214	L	80.5	Confident	67.2	Low	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-29.5	-179.6	-56.8	179.6	0	0	0	114.3	M211 P212 N231 M234 G383 F385	M211-L214 HydrophobicContact CB-CB 4.35Å; M211-L214 HydrophobicContact CB-CD1 4.5Å; M211-L214 PolarHBondContact O-N 3.37Å; M211-L214 HydrophobicContact SD-CD1 4.24Å; P212-L214 VanDerWaalsContact C-N 3.34Å; L214-N231 WeakPolarHBondContact CA-ND2 3.15Å; L214-N231 PolarHBondContact N-ND2 3.22Å; L214-N231 VanDerWaalsContact O-CG 3.29Å; L214-N231 PolarHBondContact O-N 2.84Å; L214-N231 PolarHBondContact O-ND2 3.35Å; L214-N231 VanDerWaalsContact O-ND2 3.11Å; L214-M234 HydrophobicContact CD2-SD 4.1Å; L214-M234 VanDerWaalsContact O-CB 3.26Å; L214-M234 WeakPolarHBondContact O-CB 3.33Å; L214-G383 VanDerWaalsContact CD1-O 3.3Å; L214-G383 WeakPolarHBondContact CD1-O 3.26Å; L214-F385 HydrophobicContact CD2-CE1 4.13Å; L214-F385 HydrophobicContact CD2-CE2 3.82Å; L214-F385 HydrophobicContact CD2-CZ 3.56Å
215	Y	81.4	Confident	68.3	Low	3 Å²	3	49.4 Å²	49.4	1%	0.012	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.2	-176.9	-66.8	-95.7	0	0	0	112	L195 C208 M211 C228 C229 P230 F381 G382	L195-Y215 HydrophobicContact CB-CD1 4.03Å; L195-Y215 HydrophobicContact CB-CE1 3.89Å; L195-Y215 HydrophobicContact CD1-CE2 4.42Å; C208-Y215 HydrophobicContact CB-CG 4.41Å; M211-Y215 HydrophobicContact CB-CD2 4.11Å; M211-Y215 PolarHBondContact O-N 3.37Å; Y215-C228 HydrophobicContact CD1-CB 4.41Å; Y215-C229 CarbonylContact C-O 3.53Å; Y215-C229 WeakPolarHBondContact CA-O 3.45Å; Y215-C229 VanDerWaalsContact CD1-C 3.41Å; Y215-P230 HydrophobicContact CE1-CB 4.37Å; Y215-F381 WeakPolarHBondContact OH-CA 3.32Å; Y215-G382 PolarHBondContact OH-N 2.03Å
216	D	77.5	Confident	69.3	Low	21 Å²	21	48.8 Å²	48.8	11%	0.112	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	145.1	168	-61.4	-46	0	0	0	109.4	T156 K157 I218 C229 N231	T156-D216 HydrophobicContact CG2-CB 4.1Å; K157-D216 VanDerWaalsContact CE-OD1 3.3Å; K157-D216 WeakPolarHBondContact CE-OD1 3.44Å; K157-D216 IonicContact NZ-OD1 2.73Å; D216-I218 HydrophobicContact CB-CD1 4.39Å; D216-C229 PolarHBondContact N-O 3.33Å; D216-C229 PolarHBondContact O-N 2.89Å; D216-N231 WeakPolarHBondContact OD2-CA 3.04Å; D216-N231 WeakPolarHBondContact OD2-CB 3.38Å
217	C	77.9	Confident	70.3	Confident	18 Å²	18	42.7 Å²	42.7	12%	0.122	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	117	172.5	-78.7	0	0	0	0	111.1	C200 H207 C208 Y226 M227	C200-C217 HydrophobicContact CB-CB 3.9Å; C200-C217 WeakPolarHBondContact CB-SG 3.41Å; C200-C217 WeakPolarHBondContact SG-CB 3.4Å; C200-C217 CovalentContact SG-SG 2.02Å; C200-C217 PolarHBondContact SG-SG 2.02Å; H207-C217 HydrophobicContact CB-CB 4.33Å; H207-C217 WeakPolarHBondContact CB-SG 3.5Å; H207-C217 PolarHBondContact CD2-SG 3.25Å; C208-C217 PolarHBondContact SG-SG 2.96Å; C217-Y226 HydrophobicContact CB-CD1 4.42Å; C217-M227 CarbonylContact C-O 3.53Å; C217-M227 WeakPolarHBondContact CA-O 3.29Å
218	I	74.8	Confident	70.9	Confident	3 Å²	3	41 Å²	41	2%	0.015	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.4	179	-54.7	-58	0	0	0	108.9	A154 T156 V161 H163 P183 D216 Y226 M227 C229	A154-I218 HydrophobicContact CB-CD1 3.99Å; A154-I218 HydrophobicContact CB-CG2 4.01Å; T156-I218 HydrophobicContact CG2-CD1 3.79Å; V161-I218 HydrophobicContact CG2-CD1 3.71Å; H163-I218 HydrophobicContact CB-CG2 4.07Å; P183-I218 HydrophobicContact CG-CG1 4.29Å; P183-I218 HydrophobicContact CG-CG2 4.43Å; D216-I218 HydrophobicContact CB-CD1 4.39Å; I218-Y226 CarbonylContact O-C 3.46Å; I218-Y226 WeakPolarHBondContact O-CA 3.47Å; I218-M227 PolarHBondContact N-O 3.47Å; I218-M227 PolarHBondContact O-N 2.94Å; I218-C229 HydrophobicContact CG1-CB 3.82Å
219	P	69.1	Low	71.2	Confident	40 Å²	40	41.2 Å²	41.2	26%	0.26	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	141.3	174.8	-23.3	33.6	0	0	0	112.1	A154 H163 Y226	A154-P219 HydrophobicContact CB-CG 4.47Å; H163-P219 PolarHBondContact CE1-O 2.87Å; H163-P219 VanDerWaalsContact CE1-O 3.3Å; P219-Y226 HydrophobicContact CB-CD1 4.41Å; P219-Y226 HydrophobicContact CB-CE1 4.42Å; P219-Y226 HydrophobicContact CG-CD1 4.12Å; P219-Y226 HydrophobicContact CG-CE1 3.88Å
220	R	67	Low	71.8	Confident	51 Å²	51	36.6 Å²	36.6	19%	0.192	22%	0.222	C	C	.	.			trans	-72.6	143.6	174.5	-67.4	177.6	57.3	153.9	-4.1	110.9	D222 T223 S224 G225 M227	R220-D222 WeakPolarHBondContact CB-OD1 3.33Å; R220-D222 IonicContact CZ-OD1 3.49Å; R220-D222 IonicContact CZ-OD2 2.85Å; R220-D222 IonicContact NE-OD1 3.48Å; R220-D222 PolarHBondContact NE-OD1 3.28Å; R220-D222 VanDerWaalsContact NE-OD1 3.09Å; R220-D222 IonicContact NE-OD2 2.7Å; R220-D222 PolarHBondContact NE-OD2 3.19Å; R220-D222 IonicContact NH2-OD1 3.4Å; R220-D222 IonicContact NH2-OD2 3.32Å; R220-D222 PolarHBondContact NH2-OD2 2.8Å; R220-D222 PolarHBondContact O-N 2.71Å; R220-D222 VanDerWaalsContact O-N 3.1Å; R220-T223 PolarHBondContact O-N 3.3Å; R220-S224 PolarHBondContact NE-OG 2.87Å; R220-S224 PolarHBondContact NH2-OG 2.87Å; R220-G225 WeakPolarHBondContact CB-O 3.48Å; R220-G225 PolarHBondContact N-O 2.99Å; R220-M227 HydrophobicContact CB-CE 4.38Å; R220-M227 HydrophobicContact CG-CB 4.22Å; R220-M227 HydrophobicContact CG-CE 4.09Å
221	A	57.9	Low	72.5	Confident	22 Å²	22	34.3 Å²	34.3	18%	0.182	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.2	177.1	0	0	0	0	0	114.3	R164 G166	R164-A221 WeakPolarHBondContact O-CB 3.31Å; G166-A221 PolarHBondContact N-O 2.98Å
222	D	60.3	Low	72.9	Confident	55 Å²	55	34.2 Å²	34.2	29%	0.294	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	10.4	179.5	59.6	18.5	0	0	0	113.7	R220 S224	R220-D222 WeakPolarHBondContact CB-OD1 3.33Å; R220-D222 IonicContact CZ-OD1 3.49Å; R220-D222 IonicContact CZ-OD2 2.85Å; R220-D222 IonicContact NE-OD1 3.48Å; R220-D222 PolarHBondContact NE-OD1 3.28Å; R220-D222 VanDerWaalsContact NE-OD1 3.09Å; R220-D222 IonicContact NE-OD2 2.7Å; R220-D222 PolarHBondContact NE-OD2 3.19Å; R220-D222 IonicContact NH2-OD1 3.4Å; R220-D222 IonicContact NH2-OD2 3.32Å; R220-D222 PolarHBondContact NH2-OD2 2.8Å; R220-D222 PolarHBondContact O-N 2.71Å; R220-D222 VanDerWaalsContact O-N 3.1Å; D222-S224 PolarHBondContact O-N 2.85Å; D222-S224 WeakPolarHBondContact OD1-CB 3.44Å; D222-S224 PolarHBondContact OD1-N 3.37Å; D222-S224 PolarHBondContact OD1-OG 2.03Å; D222-S224 PolarHBondContact OD2-OG 2.88Å
223	T	62.1	Low	73.6	Confident	135 Å²	135	31.9 Å²	31.9	83%	0.828	18%	0.181	S	C	*	.	S	Bend	trans	53.4	8.9	-175.2	65.7	0	0	0	0	116.3	R220 G225	R220-T223 PolarHBondContact O-N 3.3Å; T223-G225 PolarHBondContact O-N 2.73Å
224	S	64.9	Low	74.1	Confident	76 Å²	76	30.1 Å²	30.1	53%	0.531	17%	0.172	S	C	.	.	S	Bend	trans	-78.1	13.1	-176.4	69.9	0	0	0	0	115	R220 D222	R220-S224 PolarHBondContact NE-OG 2.87Å; R220-S224 PolarHBondContact NH2-OG 2.87Å; D222-S224 PolarHBondContact O-N 2.85Å; D222-S224 WeakPolarHBondContact OD1-CB 3.44Å; D222-S224 PolarHBondContact OD1-N 3.37Å; D222-S224 PolarHBondContact OD1-OG 2.03Å; D222-S224 PolarHBondContact OD2-OG 2.88Å
225	G	68.8	Low	74.3	Confident	30 Å²	30	30.3 Å²	30.3	31%	0.309	17%	0.173	S	C	.	.			trans	136.8	-151.1	-178.7	0	0	0	0	0	111.9	R220 T223	R220-G225 WeakPolarHBondContact CB-O 3.48Å; R220-G225 PolarHBondContact N-O 2.99Å; T223-G225 PolarHBondContact O-N 2.73Å
226	Y	71.9	Confident	74.5	Confident	132 Å²	132	30.3 Å²	30.3	52%	0.518	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	162.2	-179.3	-66	-102.9	0	0	0	110.1	C200 C217 I218 P219	C200-Y226 VanDerWaalsContact CB-CB 3.4Å; C200-Y226 HydrophobicContact CB-CG 4.22Å; C217-Y226 HydrophobicContact CB-CD1 4.42Å; I218-Y226 CarbonylContact O-C 3.46Å; I218-Y226 WeakPolarHBondContact O-CA 3.47Å; P219-Y226 HydrophobicContact CB-CD1 4.41Å; P219-Y226 HydrophobicContact CB-CE1 4.42Å; P219-Y226 HydrophobicContact CG-CD1 4.12Å; P219-Y226 HydrophobicContact CG-CE1 3.88Å
227	M	73.1	Confident	74.8	Confident	8 Å²	8	29.6 Å²	29.6	4%	0.039	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	157.2	173.9	75.2	175.5	94.8	0	0	110.8	R180 F181 V194 C217 I218 R220	R180-M227 HydrophobicContact CB-SD 4.18Å; F181-M227 VanDerWaalsContact O-CE 3.28Å; F181-M227 WeakPolarHBondContact O-CE 3.38Å; V194-M227 HydrophobicContact CG1-CB 4.11Å; V194-M227 HydrophobicContact CG1-SD 4.32Å; V194-M227 HydrophobicContact CG2-SD 3.75Å; C217-M227 CarbonylContact C-O 3.53Å; C217-M227 WeakPolarHBondContact CA-O 3.29Å; I218-M227 PolarHBondContact N-O 3.47Å; I218-M227 PolarHBondContact O-N 2.94Å; R220-M227 HydrophobicContact CB-CE 4.38Å; R220-M227 HydrophobicContact CG-CB 4.22Å; R220-M227 HydrophobicContact CG-CE 4.09Å
228	C	78.8	Confident	74.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	117.1	-177.6	-75.1	0	0	0	0	112.3	V194 L195 C200 C208 Y215	V194-C228 WeakPolarHBondContact CA-O 2.98Å; L195-C228 HydrophobicContact CB-CB 3.68Å; L195-C228 HydrophobicContact CD2-CB 4.13Å; L195-C228 PolarHBondContact N-O 3.46Å; C200-C228 PolarHBondContact SG-SG 2.85Å; C208-C228 WeakPolarHBondContact CA-SG 3.31Å; C208-C228 HydrophobicContact CB-CB 3.76Å; C208-C228 WeakPolarHBondContact CB-SG 3.34Å; C208-C228 WeakPolarHBondContact SG-CA 3.39Å; C208-C228 WeakPolarHBondContact SG-CB 3.41Å; C208-C228 CovalentContact SG-SG 2.02Å; C208-C228 PolarHBondContact SG-SG 3.48Å; Y215-C228 HydrophobicContact CD1-CB 4.41Å
229	C	78.8	Confident	75.1	Confident	3 Å²	3	29.2 Å²	29.2	2%	0.02	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144.2	-177.3	-65.4	0	0	0	0	111.3	C182 Y215 D216 I218 N231	C182-C229 WeakPolarHBondContact CA-SG 2.99Å; C182-C229 HydrophobicContact CB-CB 3.73Å; C182-C229 WeakPolarHBondContact CB-SG 3.33Å; C182-C229 WeakPolarHBondContact SG-CA 3.45Å; C182-C229 WeakPolarHBondContact SG-CB 3.46Å; C182-C229 CovalentContact SG-SG 2.04Å; C182-C229 PolarHBondContact SG-SG 3.49Å; Y215-C229 CarbonylContact C-O 3.53Å; Y215-C229 WeakPolarHBondContact CA-O 3.45Å; Y215-C229 VanDerWaalsContact CD1-C 3.41Å; D216-C229 PolarHBondContact N-O 3.33Å; D216-C229 PolarHBondContact O-N 2.89Å; I218-C229 HydrophobicContact CG1-CB 3.82Å; C229-N231 PolarHBondContact O-N 3.49Å
230	P	81.3	Confident	75.5	Confident	11 Å²	11	30.2 Å²	30.2	7%	0.071	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	130.4	178.5	25.4	-35.6	0	0	0	109.4	S193 Y215 M234 T235 A276	S193-P230 WeakPolarHBondContact O-CD 3.06Å; Y215-P230 HydrophobicContact CE1-CB 4.37Å; P230-M234 HydrophobicContact CB-CB 3.97Å; P230-M234 HydrophobicContact CB-CG 3.88Å; P230-T235 PolarHBondContact O-OG1 2.68Å; P230-A276 HydrophobicContact CG-CB 4Å
231	N	80.3	Confident	75.6	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.162	C	C	.	.			trans	-69.3	178.8	174.6	67.7	43.9	0	0	0	111.1	K157 D213 L214 D216 C229 A233 M234 T235	K157-N231 WeakPolarHBondContact CE-ND2 3.38Å; K157-N231 PolarHBondContact NZ-ND2 3.19Å; D213-N231 PolarHBondContact O-ND2 3.05Å; L214-N231 WeakPolarHBondContact CA-ND2 3.15Å; L214-N231 PolarHBondContact N-ND2 3.22Å; L214-N231 VanDerWaalsContact O-CG 3.29Å; L214-N231 PolarHBondContact O-N 2.84Å; L214-N231 PolarHBondContact O-ND2 3.35Å; L214-N231 VanDerWaalsContact O-ND2 3.11Å; D216-N231 WeakPolarHBondContact OD2-CA 3.04Å; D216-N231 WeakPolarHBondContact OD2-CB 3.38Å; C229-N231 PolarHBondContact O-N 3.49Å; N231-A233 VanDerWaalsContact C-N 3.34Å; N231-A233 PolarHBondContact O-N 3.43Å; N231-A233 PolarHBondContact OD1-N 3.37Å; N231-M234 PolarHBondContact O-N 2.04Å; N231-M234 PolarHBondContact OD1-N 2.94Å; N231-T235 VanDerWaalsContact O-CB 3.29Å; N231-T235 WeakPolarHBondContact O-CB 3.39Å; N231-T235 PolarHBondContact O-N 3.43Å; N231-T235 PolarHBondContact O-OG1 2.8Å
232	R	81.5	Confident	76	Confident	21 Å²	21	32.4 Å²	32.4	8%	0.079	18%	0.176	C	C	.	.	H	α-helix	trans	-53.3	-48.3	-178.7	-163.6	-177.4	-163.6	123.7	12.7	112.9	D158 T235 C236 S287 Y288 S291 T292	D158-R232 HydrophobicContact CB-CB 4.07Å; D158-R232 PolarHBondContact O-NH1 2.92Å; D158-R232 VanDerWaalsContact OD2-CB 3.28Å; D158-R232 WeakPolarHBondContact OD2-CB 3.39Å; R232-T235 PolarHBondContact O-N 3.4Å; R232-C236 PolarHBondContact O-N 3.46Å; R232-C236 VanDerWaalsContact O-N 3.1Å; R232-C236 PolarHBondContact O-SG 2.91Å; R232-S287 PolarHBondContact NH2-O 3.37Å; R232-Y288 WeakPolarHBondContact CA-OH 2.94Å; R232-Y288 HydrophobicContact CB-CE1 4.33Å; R232-Y288 HydrophobicContact CG-CD1 4.25Å; R232-Y288 HydrophobicContact CG-CE1 3.82Å; R232-Y288 VanDerWaalsContact CZ-O 3.26Å; R232-Y288 PolarHBondContact NE-O 2.79Å; R232-Y288 PolarHBondContact NH2-O 2.94Å; R232-S291 PolarHBondContact NH2-OG 2.84Å; R232-T292 HydrophobicContact CG-CG2 4.09Å
233	A	84.6	Confident	76	Confident	3 Å²	3	30.5 Å²	30.5	3%	0.025	17%	0.168	C	C	.	.	H	α-helix	trans	-69.3	-35.1	-177.1	0	0	0	0	0	113	N231 S297 F385	N231-A233 VanDerWaalsContact C-N 3.34Å; N231-A233 PolarHBondContact O-N 3.43Å; N231-A233 PolarHBondContact OD1-N 3.37Å; A233-S297 WeakPolarHBondContact CB-OG 3.42Å; A233-F385 HydrophobicContact CB-CE1 4.15Å; A233-F385 HydrophobicContact CB-CZ 4.23Å
234	M	84	Confident	75.9	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-72.7	-44.3	175.5	-172.1	60.5	-167.9	0	0	111.4	L214 P230 N231 C236 I237 Q238 Y378 G382	L214-M234 HydrophobicContact CD2-SD 4.1Å; L214-M234 VanDerWaalsContact O-CB 3.26Å; L214-M234 WeakPolarHBondContact O-CB 3.33Å; P230-M234 HydrophobicContact CB-CB 3.97Å; P230-M234 HydrophobicContact CB-CG 3.88Å; N231-M234 PolarHBondContact O-N 2.04Å; N231-M234 PolarHBondContact OD1-N 2.94Å; M234-C236 PolarHBondContact O-N 3.12Å; M234-I237 WeakPolarHBondContact O-CG1 3.19Å; M234-I237 PolarHBondContact O-N 3.11Å; M234-I237 VanDerWaalsContact O-N 3.15Å; M234-I237 HydrophobicContact SD-CD1 4.03Å; M234-I237 HydrophobicContact SD-CG1 4.13Å; M234-Q238 PolarHBondContact O-N 2.93Å; M234-Y378 WeakPolarHBondContact CE-OH 3.32Å; M234-G382 WeakPolarHBondContact CE-O 3.27Å
235	T	83.7	Confident	75.4	Confident	4 Å²	4	32.9 Å²	32.9	3%	0.025	17%	0.168	C	C	.	.	H	α-helix	trans	-54.5	-50.3	176.5	-68.9	0	0	0	0	111.3	P230 N231 R232 I237 Q238 A276 N277 Y288	P230-T235 PolarHBondContact O-OG1 2.68Å; N231-T235 VanDerWaalsContact O-CB 3.29Å; N231-T235 WeakPolarHBondContact O-CB 3.39Å; N231-T235 PolarHBondContact O-N 3.43Å; N231-T235 PolarHBondContact O-OG1 2.8Å; R232-T235 PolarHBondContact O-N 3.4Å; T235-I237 PolarHBondContact O-N 2.83Å; T235-Q238 PolarHBondContact O-N 3.3Å; T235-Q238 VanDerWaalsContact O-N 3.13Å; T235-A276 HydrophobicContact CG2-CB 3.65Å; T235-A276 WeakPolarHBondContact CG2-O 3.26Å; T235-N277 WeakPolarHBondContact O-CB 3.47Å; T235-Y288 HydrophobicContact CG2-CD1 4.34Å; T235-Y288 HydrophobicContact CG2-CE1 3.62Å
236	C	86	Confident	74.9	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.014	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-1.8	-178.1	-59	0	0	0	0	115.2	R232 M234 Y255 S257 C289	R232-C236 PolarHBondContact O-N 3.46Å; R232-C236 VanDerWaalsContact O-N 3.1Å; R232-C236 PolarHBondContact O-SG 2.91Å; M234-C236 PolarHBondContact O-N 3.12Å; C236-Y255 HydrophobicContact CB-CD1 3.79Å; C236-Y255 HydrophobicContact CB-CE1 4.27Å; C236-Y255 WeakPolarHBondContact O-CD1 3.4Å; C236-S257 WeakPolarHBondContact O-CB 3.3Å; C236-C289 HydrophobicContact CB-CB 3.88Å; C236-C289 WeakPolarHBondContact CB-SG 3.03Å; C236-C289 WeakPolarHBondContact SG-CA 3.16Å; C236-C289 WeakPolarHBondContact SG-CB 2.97Å; C236-C289 CovalentContact SG-SG 2.04Å; C236-C289 PolarHBondContact SG-SG 3.45Å
237	I	84.8	Confident	74.1	Confident	6 Å²	6	36 Å²	36	3%	0.031	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-1.9	172.2	69.6	147.8	0	0	0	114.4	M234 T235 R295 F385	M234-I237 WeakPolarHBondContact O-CG1 3.19Å; M234-I237 PolarHBondContact O-N 3.11Å; M234-I237 VanDerWaalsContact O-N 3.15Å; M234-I237 HydrophobicContact SD-CD1 4.03Å; M234-I237 HydrophobicContact SD-CG1 4.13Å; T235-I237 PolarHBondContact O-N 2.83Å; I237-R295 HydrophobicContact CG2-CG 4.18Å; I237-F385 HydrophobicContact CD1-CD1 3.75Å; I237-F385 HydrophobicContact CD1-CE1 4.37Å; I237-F385 HydrophobicContact CG1-CD1 4.37Å
238	Q	80.3	Confident	73.6	Confident	10 Å²	10	41.8 Å²	41.8	5%	0.047	22%	0.224	C	C	.	.	S	Bend	trans	-67.2	155.2	174.5	-72.4	-179.7	-23.2	0	0	111.2	M234 T235 T275 N277	M234-Q238 PolarHBondContact O-N 2.93Å; T235-Q238 PolarHBondContact O-N 3.3Å; T235-Q238 VanDerWaalsContact O-N 3.13Å; Q238-T275 HydrophobicContact CB-CG2 3.95Å; Q238-N277 HydrophobicContact CB-CB 4.06Å; Q238-N277 PolarHBondContact O-ND2 3.28Å
239	S	78.4	Confident	73.1	Confident	4 Å²	4	43.2 Å²	43.2	3%	0.028	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-65.1	154.2	176.5	40	0	0	0	0	110.5	T275 E361 R363	S239-T275 WeakPolarHBondContact O-CB 3.38Å; S239-T275 WeakPolarHBondContact O-CG2 3.21Å; S239-T275 PolarHBondContact O-OG1 2.04Å; S239-E361 WeakPolarHBondContact CB-OE1 3.43Å; S239-E361 WeakPolarHBondContact CB-OE2 3.4Å; S239-E361 PolarHBondContact OG-OE1 3.11Å; S239-E361 PolarHBondContact OG-OE2 3.34Å; S239-R363 VanDerWaalsContact N-NH2 3.18Å; S239-R363 PolarHBondContact OG-NH2 3.36Å; S239-R363 VanDerWaalsContact OG-NH2 3.1Å
240	K	76.7	Confident	72.7	Confident	61 Å²	61	46.5 Å²	46.5	27%	0.265	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-71.1	138.9	157.5	65.6	-175.4	177.8	-176.2	0	109.3	Q242 W254 F265	K240-Q242 VanDerWaalsContact CE-OE1 3.23Å; K240-Q242 PolarHBondContact O-N 2.91Å; K240-W254 HydrophobicContact CB-CB 4.08Å; K240-W254 HydrophobicContact CB-CD2 3.78Å; K240-W254 HydrophobicContact CB-CE3 4.09Å; K240-W254 HydrophobicContact CB-CG 3.74Å; K240-W254 HydrophobicContact CD-CD2 4.14Å; K240-W254 HydrophobicContact CD-CG 4.27Å; K240-W254 HydrophobicContact CD-CZ2 4.38Å; K240-W254 HydrophobicContact CG-CD2 4.3Å; K240-F265 HydrophobicContact CB-CD2 3.97Å; K240-F265 HydrophobicContact CB-CE2 4.19Å; K240-F265 HydrophobicContact CB-CG 4.18Å; K240-F265 HydrophobicContact CD-CB 4.07Å; K240-F265 HydrophobicContact CD-CG 4.45Å
241	T	70.3	Confident	72.5	Confident	14 Å²	14	49 Å²	49	9%	0.086	27%	0.267	C	S	.	.			trans	-101.5	84.3	179.5	33.6	0	0	0	0	108.7	V273 T275	T241-V273 VanDerWaalsContact CB-O 3.31Å; T241-V273 WeakPolarHBondContact CB-O 3.07Å; T241-V273 WeakPolarHBondContact CG2-O 3.49Å; T241-T275 HydrophobicContact CG2-CG2 3.8Å; T241-T275 PolarHBondContact OG1-N 2.89Å; T241-T275 PolarHBondContact OG1-OG1 3.38Å
242	Q	66.2	Low	72.5	Confident	104 Å²	104	49.1 Å²	49.1	49%	0.486	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-81.2	132.6	-165.7	-173.9	163.7	-13	0	0	112.3	K240 H244 L266	K240-Q242 VanDerWaalsContact CE-OE1 3.23Å; K240-Q242 PolarHBondContact O-N 2.91Å; Q242-H244 PolarHBondContact O-N 3.05Å; Q242-L266 WeakPolarHBondContact CA-O 3.36Å
243	A	60.6	Low	72.6	Confident	15 Å²	15	50.7 Å²	50.7	12%	0.124	27%	0.274	C	S	.	.			trans	-62.3	131.9	176.6	0	0	0	0	0	111.7	S245 L266 D268	A243-S245 VanDerWaalsContact C-N 3.31Å; A243-S245 WeakPolarHBondContact CB-O 3.45Å; A243-L266 HydrophobicContact CB-CB 4.3Å; A243-L266 PolarHBondContact N-O 2.85Å; A243-D268 HydrophobicContact CB-CB 3.85Å
244	H	58.2	Low	72.5	Confident	200 Å²	200	51.1 Å²	51.1	93%	0.926	28%	0.275	S	S	*	.	S	Bend	trans	-78.1	-14.1	174.8	-74.7	-78.7	0	0	0	113.6	Q242	Q242-H244 PolarHBondContact O-N 3.05Å
245	S	55.9	Low	72.6	Confident	62 Å²	62	51.2 Å²	51.2	43%	0.434	28%	0.275	S	S	.	.	S	Bend	trans	-141.1	160	176.3	93.3	0	0	0	0	110.9	A243 L247	A243-S245 VanDerWaalsContact C-N 3.31Å; A243-S245 WeakPolarHBondContact CB-O 3.45Å; S245-L247 PolarHBondContact OG-N 3.37Å
246	S	58	Low	72.5	Confident	92 Å²	92	51.8 Å²	51.8	64%	0.643	28%	0.278	S	S	*	.	S	Bend	trans	-79	-18.8	176.7	50.2	0	0	0	0	113.9	N248 S249	S246-N248 PolarHBondContact O-N 3.28Å; S246-S249 WeakPolarHBondContact CA-OG 3.2Å; S246-S249 PolarHBondContact O-N 3.08Å; S246-S249 PolarHBondContact O-OG 3.3Å
247	L	55.8	Low	72.3	Confident	135 Å²	135	52 Å²	52	71%	0.707	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	130	177.9	-86.5	80.3	0	0	0	110.2	S245 S249	S245-L247 PolarHBondContact OG-N 3.37Å; L247-S249 PolarHBondContact O-N 3Å
248	N	61.8	Low	71.8	Confident	129 Å²	129	53 Å²	53	69%	0.69	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	6.2	-175.4	-61.3	-13.3	0	0	0	116.2	S246 P269	S246-N248 PolarHBondContact O-N 3.28Å; N248-P269 VanDerWaalsContact O-CD 3.26Å; N248-P269 WeakPolarHBondContact O-CD 3.28Å
249	S	68	Low	71.5	Confident	31 Å²	31	55.4 Å²	55.4	22%	0.217	30%	0.301	C	S	.	.			trans	-70.1	140.7	177	69.9	0	0	0	0	112	S246 L247 F267	S246-S249 WeakPolarHBondContact CA-OG 3.2Å; S246-S249 PolarHBondContact O-N 3.08Å; S246-S249 PolarHBondContact O-OG 3.3Å; L247-S249 PolarHBondContact O-N 3Å; S249-F267 CarbonylContact C-O 3.43Å; S249-F267 VanDerWaalsContact CA-O 3.28Å; S249-F267 WeakPolarHBondContact CA-O 2.99Å
250	Q	70.3	Confident	71.5	Confident	71 Å²	71	55.7 Å²	55.7	33%	0.332	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	145.1	175.7	-65.7	-177.5	-12.7	0	0	110.4	F267 P269	Q250-F267 PolarHBondContact N-O 3.13Å; Q250-F267 PolarHBondContact O-N 2.91Å; Q250-P269 HydrophobicContact CG-CG 4.33Å
251	S	76.6	Confident	71.7	Confident	63 Å²	63	57.4 Å²	57.4	44%	0.441	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	125.9	168	-173.2	0	0	0	0	110	Q264	S251-Q264 PolarHBondContact OG-NE2 2.75Å
252	R	80.4	Confident	72.3	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.015	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	171.7	175.3	-72.1	-162.8	179.4	-174.7	-5.9	111	E186 Q264 F265 F267 S278 F279	E186-R252 IonicContact OE2-NH2 2.8Å; E186-R252 PolarHBondContact OE2-NH2 3.47Å; R252-Q264 CarbonylContact O-C 3.52Å; R252-Q264 WeakPolarHBondContact O-CA 3.42Å; R252-F265 HydrophobicContact CB-CD1 4.12Å; R252-F265 HydrophobicContact CB-CE1 3.55Å; R252-F265 HydrophobicContact CB-CZ 3.97Å; R252-F265 PolarHBondContact N-O 2.87Å; R252-F265 WeakPolarHBondContact O-CD1 3.46Å; R252-F265 PolarHBondContact O-N 2.73Å; R252-F267 HydrophobicContact CB-CB 4.07Å; R252-F267 HydrophobicContact CG-CB 3.91Å; R252-F267 HydrophobicContact CG-CD1 4.39Å; R252-F267 HydrophobicContact CG-CG 4.33Å; R252-F267 VanDerWaalsContact CZ-CD1 3.45Å; R252-F267 VanDerWaalsContact NE-CD1 3.35Å; R252-S278 WeakPolarHBondContact CD-OG 3.47Å; R252-S278 PolarHBondContact NH1-OG 2.91Å; R252-F279 CarbonylContact C-O 3.55Å; R252-F279 WeakPolarHBondContact CA-O 3.28Å; R252-F279 VanDerWaalsContact CB-O 3.26Å; R252-F279 WeakPolarHBondContact CB-O 3.44Å
253	Y	83.4	Confident	73.2	Confident	53 Å²	53	55.7 Å²	55.7	21%	0.208	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	143.6	175.1	-70.1	-99.2	0	0	0	110.5	E263 Q264 F279 N281 L282	Y253-E263 CarbonylContact C-O 3.35Å; Y253-E263 VanDerWaalsContact CA-O 3.28Å; Y253-E263 WeakPolarHBondContact CA-O 3.42Å; Y253-Q264 HydrophobicContact CD1-CB 4.31Å; Y253-Q264 HydrophobicContact CE1-CB 4.03Å; Y253-Q264 HydrophobicContact CE1-CG 4.39Å; Y253-Q264 HydrophobicContact CE2-CG 4.48Å; Y253-F279 PolarHBondContact N-O 3.1Å; Y253-F279 WeakPolarHBondContact O-CD2 3.03Å; Y253-F279 PolarHBondContact O-N 3.06Å; Y253-N281 VanDerWaalsContact CD2-CA 3.47Å; Y253-L282 HydrophobicContact CD1-CB 4.08Å; Y253-L282 HydrophobicContact CD1-CD1 3.89Å; Y253-L282 HydrophobicContact CE1-CB 3.77Å; Y253-L282 HydrophobicContact CE1-CD1 3.94Å; Y253-L282 HydrophobicContact CE1-CG 4.37Å; Y253-L282 HydrophobicContact CE2-CB 4.39Å
254	W	84	Confident	74.3	Confident	12 Å²	12	60.8 Å²	60.8	5%	0.045	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	152	172.3	82.3	-66.6	0	0	0	109.3	K240 N256 C262 E263 F265 N277 L389	K240-W254 HydrophobicContact CB-CB 4.08Å; K240-W254 HydrophobicContact CB-CD2 3.78Å; K240-W254 HydrophobicContact CB-CE3 4.09Å; K240-W254 HydrophobicContact CB-CG 3.74Å; K240-W254 HydrophobicContact CD-CD2 4.14Å; K240-W254 HydrophobicContact CD-CG 4.27Å; K240-W254 HydrophobicContact CD-CZ2 4.38Å; K240-W254 HydrophobicContact CG-CD2 4.3Å; W254-N256 HydrophobicContact CH2-CB 3.77Å; W254-N256 HydrophobicContact CZ2-CB 3.71Å; W254-N256 HydrophobicContact CZ3-CB 4.41Å; W254-C262 WeakPolarHBondContact O-CA 3.34Å; W254-E263 VanDerWaalsContact CD1-O 3.28Å; W254-E263 WeakPolarHBondContact CZ2-OE2 3.36Å; W254-E263 PolarHBondContact N-O 3.09Å; W254-E263 PolarHBondContact NE1-OE2 2.82Å; W254-E263 PolarHBondContact O-N 2.75Å; W254-F265 HydrophobicContact CB-CD1 3.85Å; W254-F265 HydrophobicContact CB-CE1 3.84Å; W254-F265 HydrophobicContact CG-CD1 4.26Å; W254-N277 VanDerWaalsContact CB-O 3.31Å; W254-N277 WeakPolarHBondContact CB-O 3.18Å; W254-L389 HydrophobicContact CH2-CD2 3.87Å; W254-L389 HydrophobicContact CZ3-CD2 4.36Å
255	Y	84.9	Confident	75.4	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.016	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	119.5	176.4	-175.8	-103.1	0	0	0	111.2	C236 S257 G260 N277 C289	C236-Y255 HydrophobicContact CB-CD1 3.79Å; C236-Y255 HydrophobicContact CB-CE1 4.27Å; C236-Y255 WeakPolarHBondContact O-CD1 3.4Å; Y255-S257 PolarHBondContact O-N 2.69Å; Y255-G260 VanDerWaalsContact CE2-O 3.28Å; Y255-G260 WeakPolarHBondContact CE2-O 3.38Å; Y255-G260 WeakPolarHBondContact OH-CA 3.3Å; Y255-N277 PolarHBondContact N-OD1 2.71Å; Y255-N277 PolarHBondContact O-ND2 3.22Å; Y255-C289 VanDerWaalsContact CB-SG 3.52Å; Y255-C289 HydrophobicContact CD1-CB 3.59Å; Y255-C289 HydrophobicContact CD2-CB 3.3Å; Y255-C289 HydrophobicContact CE1-CB 3.99Å; Y255-C289 HydrophobicContact CE2-CB 3.74Å; Y255-C289 HydrophobicContact CG-CB 3.19Å
256	N	82.3	Confident	76.3	Confident	15 Å²	15	52.5 Å²	52.5	8%	0.08	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	101.5	170.7	-179.1	-19	0	0	0	109.3	W254 V258 T259 G260 N261 E263	W254-N256 HydrophobicContact CH2-CB 3.77Å; W254-N256 HydrophobicContact CZ2-CB 3.71Å; W254-N256 HydrophobicContact CZ3-CB 4.41Å; N256-V258 PolarHBondContact O-N 2.98Å; N256-V258 VanDerWaalsContact O-N 3.1Å; N256-V258 PolarHBondContact OD1-N 3.01Å; N256-T259 WeakPolarHBondContact CB-OG1 3.42Å; N256-T259 VanDerWaalsContact CG-OG1 3.25Å; N256-T259 WeakPolarHBondContact ND2-CG2 3.24Å; N256-T259 PolarHBondContact ND2-OG1 3.42Å; N256-T259 PolarHBondContact O-N 2.64Å; N256-T259 PolarHBondContact O-OG1 3.1Å; N256-T259 PolarHBondContact OD1-N 3.11Å; N256-G260 VanDerWaalsContact O-CA 3.29Å; N256-G260 WeakPolarHBondContact O-CA 3.42Å; N256-G260 PolarHBondContact O-N 3.4Å; N256-N261 PolarHBondContact N-O 2.99Å; N256-N261 PolarHBondContact O-N 3.15Å; N256-E263 VanDerWaalsContact CB-OE1 3.28Å; N256-E263 WeakPolarHBondContact CB-OE1 3.31Å; N256-E263 PolarHBondContact ND2-OE1 2.96Å
257	S	81.6	Confident	77	Confident	6 Å²	6	48.2 Å²	48.2	4%	0.042	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-12	-179.8	47.1	0	0	0	0	115.9	C236 Y255 K294 R295	C236-S257 WeakPolarHBondContact O-CB 3.3Å; Y255-S257 PolarHBondContact O-N 2.69Å; S257-K294 WeakPolarHBondContact CB-O 3.24Å; S257-R295 PolarHBondContact OG-NH2 2.88Å
258	V	74.8	Confident	77.8	Confident	29 Å²	29	43.4 Å²	43.4	18%	0.176	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-51	178.8	177.4	0	0	0	0	110.3	N256 G260 F388 D393 A396	N256-V258 PolarHBondContact O-N 2.98Å; N256-V258 VanDerWaalsContact O-N 3.1Å; N256-V258 PolarHBondContact OD1-N 3.01Å; V258-G260 VanDerWaalsContact C-N 3.29Å; V258-F388 HydrophobicContact CG2-CD1 4.25Å; V258-D393 HydrophobicContact CB-CB 4.26Å; V258-D393 WeakPolarHBondContact CB-OD1 3.37Å; V258-D393 HydrophobicContact CG1-CB 4.21Å; V258-D393 WeakPolarHBondContact CG1-OD1 3Å; V258-D393 HydrophobicContact CG2-CB 3.51Å; V258-A396 HydrophobicContact CG1-CB 4.18Å
259	T	74	Confident	77.9	Confident	59 Å²	59	38.6 Å²	38.6	36%	0.362	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-35.7	173.5	62.4	0	0	0	0	110.5	N256 N261 K294	N256-T259 WeakPolarHBondContact CB-OG1 3.42Å; N256-T259 VanDerWaalsContact CG-OG1 3.25Å; N256-T259 WeakPolarHBondContact ND2-CG2 3.24Å; N256-T259 PolarHBondContact ND2-OG1 3.42Å; N256-T259 PolarHBondContact O-N 2.64Å; N256-T259 PolarHBondContact O-OG1 3.1Å; N256-T259 PolarHBondContact OD1-N 3.11Å; T259-N261 PolarHBondContact OG1-N 3.3Å; T259-K294 PolarHBondContact O-NZ 2.86Å
260	G	77.9	Confident	77.8	Confident	10 Å²	10	41.2 Å²	41.2	10%	0.103	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	15.5	-171.6	0	0	0	0	0	113.3	Y255 N256 V258	Y255-G260 VanDerWaalsContact CE2-O 3.28Å; Y255-G260 WeakPolarHBondContact CE2-O 3.38Å; Y255-G260 WeakPolarHBondContact OH-CA 3.3Å; N256-G260 VanDerWaalsContact O-CA 3.29Å; N256-G260 WeakPolarHBondContact O-CA 3.42Å; N256-G260 PolarHBondContact O-N 3.4Å; V258-G260 VanDerWaalsContact C-N 3.29Å
261	N	81.5	Confident	77.4	Confident	98 Å²	98	39.4 Å²	39.4	52%	0.524	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	154.6	-173.8	-64.4	-23.9	0	0	0	111.6	N256 T259	N256-N261 PolarHBondContact N-O 2.99Å; N256-N261 PolarHBondContact O-N 3.15Å; T259-N261 PolarHBondContact OG1-N 3.3Å
262	C	82.1	Confident	76.8	Confident	19 Å²	19	45.5 Å²	45.5	13%	0.128	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	126.5	167.3	-73.6	0	0	0	0	110.2	W254 L282 C285 Q286	W254-C262 WeakPolarHBondContact O-CA 3.34Å; C262-L282 HydrophobicContact CB-CD1 3.52Å; C262-C285 HydrophobicContact CB-CB 3.77Å; C262-C285 WeakPolarHBondContact CB-SG 3.28Å; C262-C285 WeakPolarHBondContact SG-CB 3.42Å; C262-C285 CovalentContact SG-SG 2.03Å; C262-C285 PolarHBondContact SG-SG 3.41Å; C262-Q286 HydrophobicContact CB-CG 4.22Å; C262-Q286 PolarHBondContact SG-N 3.41Å
263	E	85.1	Confident	75.9	Confident	62 Å²	62	48.4 Å²	48.4	29%	0.29	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	146	-176.2	-68.4	169.3	-160.9	0	0	109.6	Y253 W254 N256	Y253-E263 CarbonylContact C-O 3.35Å; Y253-E263 VanDerWaalsContact CA-O 3.28Å; Y253-E263 WeakPolarHBondContact CA-O 3.42Å; W254-E263 VanDerWaalsContact CD1-O 3.28Å; W254-E263 WeakPolarHBondContact CZ2-OE2 3.36Å; W254-E263 PolarHBondContact N-O 3.09Å; W254-E263 PolarHBondContact NE1-OE2 2.82Å; W254-E263 PolarHBondContact O-N 2.75Å; N256-E263 VanDerWaalsContact CB-OE1 3.28Å; N256-E263 WeakPolarHBondContact CB-OE1 3.31Å; N256-E263 PolarHBondContact ND2-OE1 2.96Å
264	Q	83.8	Confident	75	Confident	122 Å²	122	46 Å²	46	57%	0.57	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	143.5	177.7	-163.8	177.6	25.9	0	0	110.8	S251 R252 Y253	S251-Q264 PolarHBondContact OG-NE2 2.75Å; R252-Q264 CarbonylContact O-C 3.52Å; R252-Q264 WeakPolarHBondContact O-CA 3.42Å; Y253-Q264 HydrophobicContact CD1-CB 4.31Å; Y253-Q264 HydrophobicContact CE1-CB 4.03Å; Y253-Q264 HydrophobicContact CE1-CG 4.39Å; Y253-Q264 HydrophobicContact CE2-CG 4.48Å
265	F	80.9	Confident	74.6	Confident	10 Å²	10	46.1 Å²	46.1	4%	0.044	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	163.4	174.3	80.5	-72.6	0	0	0	112.1	K240 R252 W254 F267	K240-F265 HydrophobicContact CB-CD2 3.97Å; K240-F265 HydrophobicContact CB-CE2 4.19Å; K240-F265 HydrophobicContact CB-CG 4.18Å; K240-F265 HydrophobicContact CD-CB 4.07Å; K240-F265 HydrophobicContact CD-CG 4.45Å; R252-F265 HydrophobicContact CB-CD1 4.12Å; R252-F265 HydrophobicContact CB-CE1 3.55Å; R252-F265 HydrophobicContact CB-CZ 3.97Å; R252-F265 PolarHBondContact N-O 2.87Å; R252-F265 WeakPolarHBondContact O-CD1 3.46Å; R252-F265 PolarHBondContact O-N 2.73Å; W254-F265 HydrophobicContact CB-CD1 3.85Å; W254-F265 HydrophobicContact CB-CE1 3.84Å; W254-F265 HydrophobicContact CG-CD1 4.26Å; F265-F267 HydrophobicContact CD2-CB 4.42Å; F265-F267 HydrophobicContact CE2-CB 3.73Å; F265-F267 HydrophobicContact CE2-CD2 4.02Å; F265-F267 HydrophobicContact CE2-CG 4.36Å; F265-F267 HydrophobicContact CZ-CB 3.94Å; F265-F267 HydrophobicContact CZ-CD2 4.1Å; F265-F267 HydrophobicContact CZ-CG 4.4Å
266	L	75.9	Confident	74.2	Confident	79 Å²	79	46.1 Å²	46.1	41%	0.414	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118.8	172.1	-65.3	174.8	0	0	0	109.3	Q242 A243	Q242-L266 WeakPolarHBondContact CA-O 3.36Å; A243-L266 HydrophobicContact CB-CB 4.3Å; A243-L266 PolarHBondContact N-O 2.85Å
267	F	73.3	Confident	74.1	Confident	1 Å²	1	45.4 Å²	45.4	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	139.6	-178.8	173.6	-107.4	0	0	0	110.8	V188 S249 Q250 R252 F265 P269 A274	V188-F267 HydrophobicContact CG2-CZ 3.81Å; S249-F267 CarbonylContact C-O 3.43Å; S249-F267 VanDerWaalsContact CA-O 3.28Å; S249-F267 WeakPolarHBondContact CA-O 2.99Å; Q250-F267 PolarHBondContact N-O 3.13Å; Q250-F267 PolarHBondContact O-N 2.91Å; R252-F267 HydrophobicContact CB-CB 4.07Å; R252-F267 HydrophobicContact CG-CB 3.91Å; R252-F267 HydrophobicContact CG-CD1 4.39Å; R252-F267 HydrophobicContact CG-CG 4.33Å; R252-F267 VanDerWaalsContact CZ-CD1 3.45Å; R252-F267 VanDerWaalsContact NE-CD1 3.35Å; F265-F267 HydrophobicContact CD2-CB 4.42Å; F265-F267 HydrophobicContact CE2-CB 3.73Å; F265-F267 HydrophobicContact CE2-CD2 4.02Å; F265-F267 HydrophobicContact CE2-CG 4.36Å; F265-F267 HydrophobicContact CZ-CB 3.94Å; F265-F267 HydrophobicContact CZ-CD2 4.1Å; F265-F267 HydrophobicContact CZ-CG 4.4Å; F267-P269 HydrophobicContact CD1-CB 4.43Å; F267-P269 VanDerWaalsContact CE1-CA 3.47Å; F267-P269 HydrophobicContact CE1-CB 3.91Å; F267-A274 HydrophobicContact CE2-CB 3.95Å; F267-A274 HydrophobicContact CZ-CB 4.22Å
268	D	70.7	Confident	74	Confident	35 Å²	35	45.2 Å²	45.2	19%	0.187	24%	0.239	C	C	.	.			trans	-102.7	107.6	173.3	-177.2	-12.5	0	0	0	110.1	A243 T270 S271	A243-D268 HydrophobicContact CB-CB 3.85Å; D268-T270 PolarHBondContact O-N 3.03Å; D268-T270 WeakPolarHBondContact OD1-CA 3.27Å; D268-T270 WeakPolarHBondContact OD1-CB 3.45Å; D268-T270 PolarHBondContact OD1-N 3.1Å; D268-T270 PolarHBondContact OD1-OG1 2.85Å; D268-T270 PolarHBondContact OD2-OG1 3.24Å; D268-S271 VanDerWaalsContact O-CB 3.31Å; D268-S271 WeakPolarHBondContact O-CB 3.48Å; D268-S271 PolarHBondContact O-N 3.32Å; D268-S271 VanDerWaalsContact O-N 3.15Å; D268-S271 PolarHBondContact OD1-N 3.15Å
269	P	64.9	Low	74.1	Confident	27 Å²	27	44.2 Å²	44.2	18%	0.175	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-12.6	-180	29.7	-35.4	0	0	0	113.9	N248 Q250 F267	N248-P269 VanDerWaalsContact O-CD 3.26Å; N248-P269 WeakPolarHBondContact O-CD 3.28Å; Q250-P269 HydrophobicContact CG-CG 4.33Å; F267-P269 HydrophobicContact CD1-CB 4.43Å; F267-P269 VanDerWaalsContact CE1-CA 3.47Å; F267-P269 HydrophobicContact CE1-CB 3.91Å
270	T	65.1	Low	73.9	Confident	86 Å²	86	44.6 Å²	44.6	53%	0.528	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-10.2	175.8	73.3	0	0	0	0	113.1	D268 R272	D268-T270 PolarHBondContact O-N 3.03Å; D268-T270 WeakPolarHBondContact OD1-CA 3.27Å; D268-T270 WeakPolarHBondContact OD1-CB 3.45Å; D268-T270 PolarHBondContact OD1-N 3.1Å; D268-T270 PolarHBondContact OD1-OG1 2.85Å; D268-T270 PolarHBondContact OD2-OG1 3.24Å; T270-R272 PolarHBondContact O-N 3.48Å
271	S	63.6	Low	73.6	Confident	33 Å²	33	47 Å²	47	23%	0.231	24%	0.242	C	C	.	.			trans	-60.6	129.4	178.6	-179.5	0	0	0	0	111.6	V188 D268 V273	V188-S271 WeakPolarHBondContact CG1-O 3.48Å; D268-S271 VanDerWaalsContact O-CB 3.31Å; D268-S271 WeakPolarHBondContact O-CB 3.48Å; D268-S271 PolarHBondContact O-N 3.32Å; D268-S271 VanDerWaalsContact O-N 3.15Å; D268-S271 PolarHBondContact OD1-N 3.15Å; S271-V273 PolarHBondContact O-N 3.26Å; S271-V273 PolarHBondContact OG-N 3.09Å; S271-V273 PolarHBondContact OG-O 3Å
272	R	62.1	Low	73.3	Confident	191 Å²	191	45.4 Å²	45.4	72%	0.721	23%	0.233	S	C	*	.	S	Bend	trans	-75.9	2.8	168.7	-56.8	-169.8	-173.8	-163.8	1.8	113.2	N190 P192 T270	N190-R272 HydrophobicContact CB-CB 4.47Å; N190-R272 HydrophobicContact CB-CG 4.4Å; P192-R272 WeakPolarHBondContact CG-O 3.4Å; T270-R272 PolarHBondContact O-N 3.48Å
273	V	62.2	Low	72.7	Confident	65 Å²	65	50.7 Å²	50.7	39%	0.394	26%	0.256	S	S	.	.			trans	-131.9	84	-175.9	-174.5	0	0	0	0	107.1	T241 S271 L359	T241-V273 VanDerWaalsContact CB-O 3.31Å; T241-V273 WeakPolarHBondContact CB-O 3.07Å; T241-V273 WeakPolarHBondContact CG2-O 3.49Å; S271-V273 PolarHBondContact O-N 3.26Å; S271-V273 PolarHBondContact OG-N 3.09Å; S271-V273 PolarHBondContact OG-O 3Å; V273-L359 HydrophobicContact CG1-CD1 3.52Å; V273-L359 HydrophobicContact CG1-CD2 4.39Å
274	A	65.5	Low	72	Confident	3 Å²	3	49.2 Å²	49.2	3%	0.025	25%	0.249	C	C	.	.			trans	-127.6	132.4	-178.2	0	0	0	0	0	111	V188 P192 S193 F267	V188-A274 HydrophobicContact CB-CB 4.24Å; V188-A274 HydrophobicContact CG1-CB 3.82Å; V188-A274 HydrophobicContact CG2-CB 3.68Å; P192-A274 WeakPolarHBondContact CD-O 2.91Å; P192-A274 HydrophobicContact CG-CB 4.41Å; P192-A274 WeakPolarHBondContact CG-O 2.93Å; S193-A274 PolarHBondContact OG-O 3.2Å; F267-A274 HydrophobicContact CE2-CB 3.95Å; F267-A274 HydrophobicContact CZ-CB 4.22Å
275	T	74	Confident	71.7	Confident	14 Å²	14	43.4 Å²	43.4	9%	0.086	22%	0.222	C	C	.	.			trans	-98.2	161.1	-176.8	44.1	0	0	0	0	111.7	Q238 S239 T241 N277	Q238-T275 HydrophobicContact CB-CG2 3.95Å; S239-T275 WeakPolarHBondContact O-CB 3.38Å; S239-T275 WeakPolarHBondContact O-CG2 3.21Å; S239-T275 PolarHBondContact O-OG1 2.04Å; T241-T275 HydrophobicContact CG2-CG2 3.8Å; T241-T275 PolarHBondContact OG1-N 2.89Å; T241-T275 PolarHBondContact OG1-OG1 3.38Å; T275-N277 PolarHBondContact O-N 3.39Å
276	A	76.7	Confident	71.6	Confident	5 Å²	5	47.2 Å²	47.2	4%	0.041	24%	0.24	C	C	.	.	S	Bend	trans	-72.9	-15	174.4	0	0	0	0	0	113.6	L184 S193 P230 T235 S278	L184-A276 VanDerWaalsContact CD2-CA 3.41Å; L184-A276 HydrophobicContact CD2-CB 3.78Å; S193-A276 PolarHBondContact OG-N 2.93Å; P230-A276 HydrophobicContact CG-CB 4Å; T235-A276 HydrophobicContact CG2-CB 3.65Å; T235-A276 WeakPolarHBondContact CG2-O 3.26Å; A276-S278 PolarHBondContact O-N 3.32Å
277	N	80.5	Confident	71.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.229	C	C	.	.			trans	-76.6	56.9	173.2	-156.6	-2	0	0	0	112.2	T235 Q238 W254 Y255 T275	T235-N277 WeakPolarHBondContact O-CB 3.47Å; Q238-N277 HydrophobicContact CB-CB 4.06Å; Q238-N277 PolarHBondContact O-ND2 3.28Å; W254-N277 VanDerWaalsContact CB-O 3.31Å; W254-N277 WeakPolarHBondContact CB-O 3.18Å; Y255-N277 PolarHBondContact N-OD1 2.71Å; Y255-N277 PolarHBondContact O-ND2 3.22Å; T275-N277 PolarHBondContact O-N 3.39Å
278	S	79.1	Confident	71.4	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.014	23%	0.232	C	C	.	.			trans	-149.3	100.4	-171.3	160.8	0	0	0	0	109.9	P185 R252 A276	P185-S278 VanDerWaalsContact CD-O 3.3Å; P185-S278 WeakPolarHBondContact CD-O 3.46Å; P185-S278 WeakPolarHBondContact CG-O 3.3Å; R252-S278 WeakPolarHBondContact CD-OG 3.47Å; R252-S278 PolarHBondContact NH1-OG 2.91Å; A276-S278 PolarHBondContact O-N 3.32Å
279	F	76.7	Confident	71.9	Confident	8 Å²	8	43.9 Å²	43.9	4%	0.035	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-111.8	150	-174.8	-52.9	-81.8	0	0	0	111.9	R252 Y253 Q284 C285 Y288	R252-F279 CarbonylContact C-O 3.55Å; R252-F279 WeakPolarHBondContact CA-O 3.28Å; R252-F279 VanDerWaalsContact CB-O 3.26Å; R252-F279 WeakPolarHBondContact CB-O 3.44Å; Y253-F279 PolarHBondContact N-O 3.1Å; Y253-F279 WeakPolarHBondContact O-CD2 3.03Å; Y253-F279 PolarHBondContact O-N 3.06Å; F279-Q284 HydrophobicContact CB-CB 4.08Å; F279-Q284 HydrophobicContact CD1-CB 4.41Å; F279-C285 HydrophobicContact CB-CB 3.82Å; F279-C285 HydrophobicContact CD2-CB 3.43Å; F279-C285 VanDerWaalsContact CD2-CB 3.43Å; F279-C285 HydrophobicContact CE2-CB 4.15Å; F279-C285 HydrophobicContact CG-CB 3.69Å; F279-Y288 AromaticContact CE1-CD1 3.77Å; F279-Y288 HydrophobicContact CE1-CD1 3.77Å; F279-Y288 AromaticContact CE1-CG 3.75Å; F279-Y288 HydrophobicContact CE1-CG 3.75Å; F279-Y288 AromaticContact CZ-CD1 3.66Å; F279-Y288 HydrophobicContact CZ-CD1 3.66Å; F279-Y288 HydrophobicContact CZ-CE1 4.47Å; F279-Y288 HydrophobicContact CZ-CG 4.08Å
280	L	70.6	Confident	72.5	Confident	66 Å²	66	44.8 Å²	44.8	35%	0.346	23%	0.23	S	C	.	.	S	Bend	trans	-74.2	-31.9	-176.1	-62.5	165.8	0	0	0	112.6	P185	P185-L280 HydrophobicContact CB-CD1 4.16Å; P185-L280 HydrophobicContact CB-CG 4.12Å
281	N	70.8	Confident	72.9	Confident	61 Å²	61	42.6 Å²	42.6	33%	0.326	22%	0.218	S	C	.	.	S	Bend	trans	-143.5	171.7	179.6	73	39.7	0	0	0	112	Y253 E283 Q284 C285	Y253-N281 VanDerWaalsContact CD2-CA 3.47Å; N281-E283 PolarHBondContact O-N 2.64Å; N281-E283 WeakPolarHBondContact OD1-CB 3.33Å; N281-E283 PolarHBondContact OD1-N 3.3Å; N281-Q284 WeakPolarHBondContact OD1-CG 3.28Å; N281-Q284 PolarHBondContact OD1-N 3.4Å; N281-C285 PolarHBondContact O-N 2.83Å
282	L	75.3	Confident	73.6	Confident	65 Å²	65	41.3 Å²	41.3	34%	0.34	21%	0.209	S	C	.	.	H	α-helix	trans	-61.1	-42.9	-177.3	-180	59.9	0	0	0	112.7	Y253 C262 C285 Q286	Y253-L282 HydrophobicContact CD1-CB 4.08Å; Y253-L282 HydrophobicContact CD1-CD1 3.89Å; Y253-L282 HydrophobicContact CE1-CB 3.77Å; Y253-L282 HydrophobicContact CE1-CD1 3.94Å; Y253-L282 HydrophobicContact CE1-CG 4.37Å; Y253-L282 HydrophobicContact CE2-CB 4.39Å; C262-L282 HydrophobicContact CB-CD1 3.52Å; L282-C285 PolarHBondContact O-N 2.95Å; L282-Q286 HydrophobicContact CD1-CG 4.03Å; L282-Q286 HydrophobicContact CG-CG 4.28Å; L282-Q286 WeakPolarHBondContact O-CB 3.37Å; L282-Q286 WeakPolarHBondContact O-CG 3.07Å; L282-Q286 PolarHBondContact O-N 3.48Å
283	E	69.1	Low	74.7	Confident	130 Å²	130	32.3 Å²	32.3	61%	0.607	18%	0.175	S	C	*	.	H	α-helix	trans	-63.1	-44.8	-177.9	-178.3	176.4	-159.2	0	0	111.3	N281 C285 Q286 S287	N281-E283 PolarHBondContact O-N 2.64Å; N281-E283 WeakPolarHBondContact OD1-CB 3.33Å; N281-E283 PolarHBondContact OD1-N 3.3Å; E283-C285 VanDerWaalsContact C-N 3.35Å; E283-C285 PolarHBondContact O-N 3.11Å; E283-Q286 PolarHBondContact O-N 3.45Å; E283-S287 WeakPolarHBondContact O-CB 3.02Å; E283-S287 PolarHBondContact O-N 3.49Å
284	Q	71.8	Confident	75.8	Confident	30 Å²	30	34.4 Å²	34.4	14%	0.14	18%	0.179	C	C	.	.	H	α-helix	trans	-57.4	-46.6	174.7	-66.3	-178.4	3.9	0	0	111.9	P136 F279 N281 Y288	P136-Q284 HydrophobicContact CB-CB 4.46Å; P136-Q284 HydrophobicContact CB-CG 3.65Å; P136-Q284 HydrophobicContact CG-CB 3.79Å; P136-Q284 HydrophobicContact CG-CG 3.52Å; F279-Q284 HydrophobicContact CB-CB 4.08Å; F279-Q284 HydrophobicContact CD1-CB 4.41Å; N281-Q284 WeakPolarHBondContact OD1-CG 3.28Å; N281-Q284 PolarHBondContact OD1-N 3.4Å; Q284-Y288 VanDerWaalsContact O-CB 3.31Å; Q284-Y288 WeakPolarHBondContact O-CB 3.33Å; Q284-Y288 PolarHBondContact O-N 3.22Å
285	C	77.7	Confident	76.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-46.8	178.1	177	0	0	0	0	111.8	C262 F279 N281 L282 E283 Y288 C289	C262-C285 HydrophobicContact CB-CB 3.77Å; C262-C285 WeakPolarHBondContact CB-SG 3.28Å; C262-C285 WeakPolarHBondContact SG-CB 3.42Å; C262-C285 CovalentContact SG-SG 2.03Å; C262-C285 PolarHBondContact SG-SG 3.41Å; F279-C285 HydrophobicContact CB-CB 3.82Å; F279-C285 HydrophobicContact CD2-CB 3.43Å; F279-C285 VanDerWaalsContact CD2-CB 3.43Å; F279-C285 HydrophobicContact CE2-CB 4.15Å; F279-C285 HydrophobicContact CG-CB 3.69Å; N281-C285 PolarHBondContact O-N 2.83Å; L282-C285 PolarHBondContact O-N 2.95Å; E283-C285 VanDerWaalsContact C-N 3.35Å; E283-C285 PolarHBondContact O-N 3.11Å; C285-Y288 PolarHBondContact O-N 3.44Å; C285-C289 PolarHBondContact O-N 2.87Å
286	Q	78	Confident	77.4	Confident	91 Å²	91	34 Å²	34	43%	0.425	18%	0.175	S	C	.	.	H	α-helix	trans	-64.8	-45.5	-179.3	-75.4	177.2	-16.9	0	0	111.2	C262 L282 E283 Y288 S290	C262-Q286 HydrophobicContact CB-CG 4.22Å; C262-Q286 PolarHBondContact SG-N 3.41Å; L282-Q286 HydrophobicContact CD1-CG 4.03Å; L282-Q286 HydrophobicContact CG-CG 4.28Å; L282-Q286 WeakPolarHBondContact O-CB 3.37Å; L282-Q286 WeakPolarHBondContact O-CG 3.07Å; L282-Q286 PolarHBondContact O-N 3.48Å; E283-Q286 PolarHBondContact O-N 3.45Å; Q286-Y288 PolarHBondContact O-N 2.66Å; Q286-S290 WeakPolarHBondContact O-CA 3.27Å; Q286-S290 WeakPolarHBondContact O-CB 3.17Å; Q286-S290 PolarHBondContact O-N 2.02Å
287	S	69.7	Low	77.7	Confident	25 Å²	25	34.4 Å²	34.4	18%	0.175	18%	0.178	C	C	.	.	H	α-helix	trans	-66	-40.8	180	-123.4	0	0	0	0	111.8	A133 R232 E283 S291	A133-S287 WeakPolarHBondContact CA-OG 3.32Å; A133-S287 WeakPolarHBondContact CB-OG 3.4Å; A133-S287 WeakPolarHBondContact O-CB 3.13Å; A133-S287 PolarHBondContact O-OG 2.83Å; R232-S287 PolarHBondContact NH2-O 3.37Å; E283-S287 WeakPolarHBondContact O-CB 3.02Å; E283-S287 PolarHBondContact O-N 3.49Å; S287-S291 PolarHBondContact O-OG 3.32Å
288	Y	75.1	Confident	78	Confident	20 Å²	20	34.5 Å²	34.5	8%	0.078	18%	0.179	C	C	.	.	H	α-helix	trans	-70.9	-47	177.8	-164.1	-91.6	0	0	0	112.7	W135 R232 T235 F279 Q284 C285 Q286	W135-Y288 HydrophobicContact CZ3-CE2 4.2Å; R232-Y288 WeakPolarHBondContact CA-OH 2.94Å; R232-Y288 HydrophobicContact CB-CE1 4.33Å; R232-Y288 HydrophobicContact CG-CD1 4.25Å; R232-Y288 HydrophobicContact CG-CE1 3.82Å; R232-Y288 VanDerWaalsContact CZ-O 3.26Å; R232-Y288 PolarHBondContact NE-O 2.79Å; R232-Y288 PolarHBondContact NH2-O 2.94Å; T235-Y288 HydrophobicContact CG2-CD1 4.34Å; T235-Y288 HydrophobicContact CG2-CE1 3.62Å; F279-Y288 AromaticContact CE1-CD1 3.77Å; F279-Y288 HydrophobicContact CE1-CD1 3.77Å; F279-Y288 AromaticContact CE1-CG 3.75Å; F279-Y288 HydrophobicContact CE1-CG 3.75Å; F279-Y288 AromaticContact CZ-CD1 3.66Å; F279-Y288 HydrophobicContact CZ-CD1 3.66Å; F279-Y288 HydrophobicContact CZ-CE1 4.47Å; F279-Y288 HydrophobicContact CZ-CG 4.08Å; Q284-Y288 VanDerWaalsContact O-CB 3.31Å; Q284-Y288 WeakPolarHBondContact O-CB 3.33Å; Q284-Y288 PolarHBondContact O-N 3.22Å; C285-Y288 PolarHBondContact O-N 3.44Å; Q286-Y288 PolarHBondContact O-N 2.66Å
289	C	81.8	Confident	78.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-104	-30.4	-172.1	-69.8	0	0	0	0	116.6	C236 Y255 C285 S291	C236-C289 HydrophobicContact CB-CB 3.88Å; C236-C289 WeakPolarHBondContact CB-SG 3.03Å; C236-C289 WeakPolarHBondContact SG-CA 3.16Å; C236-C289 WeakPolarHBondContact SG-CB 2.97Å; C236-C289 CovalentContact SG-SG 2.04Å; C236-C289 PolarHBondContact SG-SG 3.45Å; Y255-C289 VanDerWaalsContact CB-SG 3.52Å; Y255-C289 HydrophobicContact CD1-CB 3.59Å; Y255-C289 HydrophobicContact CD2-CB 3.3Å; Y255-C289 HydrophobicContact CE1-CB 3.99Å; Y255-C289 HydrophobicContact CE2-CB 3.74Å; Y255-C289 HydrophobicContact CG-CB 3.19Å; C285-C289 PolarHBondContact O-N 2.87Å; C289-S291 VanDerWaalsContact C-N 3.29Å; C289-S291 PolarHBondContact O-N 2.8Å
290	S	77.4	Confident	78.4	Confident	46 Å²	46	37.4 Å²	37.4	32%	0.322	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-9.8	-177	-55.6	0	0	0	0	114.3	Q286	Q286-S290 WeakPolarHBondContact O-CA 3.27Å; Q286-S290 WeakPolarHBondContact O-CB 3.17Å; Q286-S290 PolarHBondContact O-N 2.02Å
291	S	72.2	Confident	78.5	Confident	39 Å²	39	37.9 Å²	37.9	27%	0.273	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	5.7	179.9	60.8	0	0	0	0	114.3	R232 S287 C289 V326	R232-S291 PolarHBondContact NH2-OG 2.84Å; S287-S291 PolarHBondContact O-OG 3.32Å; C289-S291 VanDerWaalsContact C-N 3.29Å; C289-S291 PolarHBondContact O-N 2.8Å; S291-V326 WeakPolarHBondContact O-CG1 3.34Å
292	T	79.6	Confident	78.4	Confident	6 Å²	6	37.9 Å²	37.9	4%	0.037	21%	0.211	C	C	.	.	S	Bend	trans	-127.4	179.3	174.3	-166.3	0	0	0	0	111.5	R232 K294 V326	R232-T292 HydrophobicContact CG-CG2 4.09Å; T292-K294 PolarHBondContact O-N 2.82Å; T292-V326 VanDerWaalsContact C-CG1 3.43Å; T292-V326 WeakPolarHBondContact O-CG1 3.21Å
293	C	85.8	Confident	77.9	Confident	3 Å²	3	39.5 Å²	39.5	2%	0.02	22%	0.22	C	C	.	.			trans	-57.1	129.3	175.5	-62.9	0	0	0	0	110.9	R295 G296 P298 C333	C293-R295 PolarHBondContact O-N 3.24Å; C293-G296 VanDerWaalsContact CB-O 3.3Å; C293-G296 WeakPolarHBondContact CB-O 3.25Å; C293-P298 VanDerWaalsContact SG-CA 3.59Å; C293-C333 WeakPolarHBondContact CA-SG 3.35Å; C293-C333 HydrophobicContact CB-CB 3.7Å; C293-C333 WeakPolarHBondContact CB-SG 3.16Å; C293-C333 WeakPolarHBondContact SG-CA 3.48Å; C293-C333 WeakPolarHBondContact SG-CB 3.35Å; C293-C333 CovalentContact SG-SG 2.03Å; C293-C333 PolarHBondContact SG-SG 3Å
294	K	83.5	Confident	77.9	Confident	108 Å²	108	40.5 Å²	40.5	47%	0.47	22%	0.218	S	C	.	.	S	Bend	trans	-48.4	-35.5	-177.7	-72.8	-165.9	170.7	-160.9	0	113.9	S257 T259 T292	S257-K294 WeakPolarHBondContact CB-O 3.24Å; T259-K294 PolarHBondContact O-NZ 2.86Å; T292-K294 PolarHBondContact O-N 2.82Å
295	R	86.6	Confident	78.2	Confident	8 Å²	8	41 Å²	41	3%	0.03	22%	0.223	C	C	.	.	S	Bend	trans	-151.2	138.2	178.7	-178.5	170	-79.1	-90.9	-3.2	108.9	I237 S257 C293 I338 F385 N387 F397	I237-R295 HydrophobicContact CG2-CG 4.18Å; S257-R295 PolarHBondContact OG-NH2 2.88Å; C293-R295 PolarHBondContact O-N 3.24Å; R295-I338 HydrophobicContact CB-CD1 4.07Å; R295-I338 HydrophobicContact CG-CD1 3.76Å; R295-I338 HydrophobicContact CG-CG2 4.43Å; R295-I338 WeakPolarHBondContact O-CD1 3.21Å; R295-F385 HydrophobicContact CG-CB 4.29Å; R295-F385 PolarHBondContact NH1-O 3.44Å; R295-N387 PolarHBondContact NH1-O 3.32Å; R295-N387 PolarHBondContact NH2-O 3.12Å; R295-F397 HydrophobicContact CB-CE2 3.94Å; R295-F397 HydrophobicContact CB-CZ 4.04Å; R295-F397 HydrophobicContact CG-CE2 4.47Å; R295-F397 HydrophobicContact CG-CZ 4.31Å
296	G	86.7	Confident	78.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	77.4	151	-177.4	0	0	0	0	0	113.6	C293 F385	C293-G296 VanDerWaalsContact CB-O 3.3Å; C293-G296 WeakPolarHBondContact CB-O 3.25Å; G296-F385 VanDerWaalsContact CA-CD1 3.5Å
297	S	84.5	Confident	79	Confident	14 Å²	14	44 Å²	44	10%	0.098	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-64.5	139.2	177.4	-65.3	0	0	0	0	111.6	D213 A233 P334	D213-S297 PolarHBondContact O-OG 3.22Å; A233-S297 WeakPolarHBondContact CB-OG 3.42Å; S297-P334 VanDerWaalsContact O-CD 3.25Å; S297-P334 WeakPolarHBondContact O-CD 3.32Å; S297-P334 WeakPolarHBondContact O-CG 3.46Å
298	P	86.2	Confident	79.8	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.013	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-57.8	157.6	169.4	25.6	-33.3	0	0	0	110.5	C293 Y300 P305	C293-P298 VanDerWaalsContact SG-CA 3.59Å; P298-Y300 HydrophobicContact CG-CE1 4.37Å; P298-Y300 HydrophobicContact CG-CE2 3.99Å; P298-Y300 WeakPolarHBondContact O-CD2 3.37Å; P298-Y300 WeakPolarHBondContact O-CE2 3.19Å; P298-Y300 PolarHBondContact O-N 3.32Å; P298-P305 HydrophobicContact CB-CB 4.05Å; P298-P305 HydrophobicContact CG-CB 3.89Å; P298-P305 HydrophobicContact CG-CG 4.04Å
299	Q	85.6	Confident	80.2	Confident	15 Å²	15	50.2 Å²	50.2	7%	0.07	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-63	130.6	162.9	-172.2	175.8	11.1	0	0	108.1	R306 E315 Y321 C332	Q299-R306 HydrophobicContact CB-CB 4.25Å; Q299-R306 HydrophobicContact CG-CB 4.48Å; Q299-R306 VanDerWaalsContact NE2-NH1 3.19Å; Q299-R306 WeakPolarHBondContact O-CB 3.04Å; Q299-R306 PolarHBondContact O-N 2.8Å; Q299-R306 VanDerWaalsContact OE1-CD 3.29Å; Q299-E315 PolarHBondContact NE2-OE2 3.03Å; Q299-E315 VanDerWaalsContact OE1-N 3.16Å; Q299-Y321 HydrophobicContact CB-CD1 3.83Å; Q299-Y321 HydrophobicContact CB-CD2 4.46Å; Q299-Y321 HydrophobicContact CB-CE1 3.77Å; Q299-Y321 HydrophobicContact CB-CE2 4.42Å; Q299-Y321 HydrophobicContact CB-CG 4.19Å; Q299-C332 HydrophobicContact CB-CB 3.78Å; Q299-C332 PolarHBondContact N-O 2.75Å
300	Y	77.5	Confident	80.2	Confident	56 Å²	56	52.7 Å²	52.7	22%	0.22	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-100.5	151.1	176.9	-70.4	-91.9	0	0	0	111.7	K157 D158 P298 G302 R304 P305	K157-Y300 HydrophobicContact CB-CE1 4.08Å; K157-Y300 HydrophobicContact CD-CE1 4.33Å; K157-Y300 HydrophobicContact CD-CE2 4.24Å; K157-Y300 HydrophobicContact CG-CE1 4.1Å; D158-Y300 PolarHBondContact OD1-OH 2.83Å; D158-Y300 PolarHBondContact OD2-OH 2.9Å; P298-Y300 HydrophobicContact CG-CE1 4.37Å; P298-Y300 HydrophobicContact CG-CE2 3.99Å; P298-Y300 WeakPolarHBondContact O-CD2 3.37Å; P298-Y300 WeakPolarHBondContact O-CE2 3.19Å; P298-Y300 PolarHBondContact O-N 3.32Å; Y300-G302 WeakPolarHBondContact CB-O 3.43Å; Y300-R304 CarbonylContact C-O 3.55Å; Y300-R304 WeakPolarHBondContact CA-O 2.94Å; Y300-P305 HydrophobicContact CD1-CG 4.41Å; Y300-P305 HydrophobicContact CE1-CG 3.98Å
301	T	73.3	Confident	80.5	Confident	76 Å²	76	53.1 Å²	53.1	47%	0.466	28%	0.282	S	S	.	.	S	Bend	trans	-123.5	95	166.5	44.7	0	0	0	0	107.7	R304 R306	T301-R304 PolarHBondContact N-O 3.39Å; T301-R306 HydrophobicContact CG2-CB 4.15Å; T301-R306 HydrophobicContact CG2-CG 3.95Å
302	G	69.7	Low	80.9	Confident	62 Å²	62	57.6 Å²	57.6	64%	0.639	31%	0.307	S	S	*	.	S	Bend	trans	62.4	-142	-162	0	0	0	0	0	110.9	Y300 R304	Y300-G302 WeakPolarHBondContact CB-O 3.43Å; G302-R304 PolarHBondContact O-N 3.13Å; G302-R304 VanDerWaalsContact O-N 3.09Å
303	N	64.3	Low	81	Confident	99 Å²	99	61.3 Å²	61.3	53%	0.529	32%	0.324	S	S	.	.	S	Bend	trans	-84.9	37.9	179	-63.4	1.8	0	0	0	113
304	R	68.6	Low	80.9	Confident	151 Å²	151	61.3 Å²	61.3	57%	0.57	32%	0.324	S	S	*	.	S	Bend	trans	-140.4	134.1	178.6	-68.3	-172	178.1	-163.6	-4.7	111.7	S123 Y300 T301 G302 R306	S123-R304 PolarHBondContact OG-NH2 2.96Å; Y300-R304 CarbonylContact C-O 3.55Å; Y300-R304 WeakPolarHBondContact CA-O 2.94Å; T301-R304 PolarHBondContact N-O 3.39Å; G302-R304 PolarHBondContact O-N 3.13Å; G302-R304 VanDerWaalsContact O-N 3.09Å; R304-R306 PolarHBondContact O-N 3.32Å
305	P	78.4	Confident	80.3	Confident	39 Å²	39	62 Å²	62	25%	0.253	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-55.7	135.1	168	-27.1	36.1	0	0	0	111.9	P298 Y300 E307 L331	P298-P305 HydrophobicContact CB-CB 4.05Å; P298-P305 HydrophobicContact CG-CB 3.89Å; P298-P305 HydrophobicContact CG-CG 4.04Å; Y300-P305 HydrophobicContact CD1-CG 4.41Å; Y300-P305 HydrophobicContact CE1-CG 3.98Å; P305-E307 PolarHBondContact O-N 2.87Å; P305-L331 HydrophobicContact CB-CD1 4.45Å; P305-L331 HydrophobicContact CB-CD2 4.12Å
306	R	85.8	Confident	78.9	Confident	50 Å²	50	63.9 Å²	63.9	19%	0.189	34%	0.344	C	S	.	.			trans	-77	107.1	-178.1	-172.8	-177.8	-173.1	133	-6.4	110.4	Q299 T301 R304 Q313 E315 C332	Q299-R306 HydrophobicContact CB-CB 4.25Å; Q299-R306 HydrophobicContact CG-CB 4.48Å; Q299-R306 VanDerWaalsContact NE2-NH1 3.19Å; Q299-R306 WeakPolarHBondContact O-CB 3.04Å; Q299-R306 PolarHBondContact O-N 2.8Å; Q299-R306 VanDerWaalsContact OE1-CD 3.29Å; T301-R306 HydrophobicContact CG2-CB 4.15Å; T301-R306 HydrophobicContact CG2-CG 3.95Å; R304-R306 PolarHBondContact O-N 3.32Å; R306-Q313 PolarHBondContact NE-O 2.71Å; R306-Q313 PolarHBondContact NH2-O 2.87Å; R306-E315 IonicContact CZ-OE1 3.16Å; R306-E315 VanDerWaalsContact NH1-CD 3.31Å; R306-E315 IonicContact NH1-OE1 2.73Å; R306-E315 PolarHBondContact NH1-OE1 3.47Å; R306-E315 IonicContact NH2-OE1 3.36Å; R306-C332 HydrophobicContact CB-CB 4.35Å; R306-C332 PolarHBondContact O-N 3.17Å
307	E	86	Confident	77.1	Confident	106 Å²	106	73.1 Å²	73.1	50%	0.495	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-74	151.6	170.3	-60.2	-172.9	-156.8	0	0	111	P305 K329 R330 L331	P305-E307 PolarHBondContact O-N 2.87Å; E307-K329 HydrophobicContact CG-CD 4.17Å; E307-K329 WeakPolarHBondContact OE1-CD 3.3Å; E307-K329 WeakPolarHBondContact OE1-CE 3.14Å; E307-K329 IonicContact OE1-NZ 3.4Å; E307-K329 PolarHBondContact OE1-NZ 3.33Å; E307-R330 CarbonylContact C-O 3.36Å; E307-R330 WeakPolarHBondContact CA-O 3.38Å; E307-L331 HydrophobicContact CG-CD2 3.85Å
308	C	87.1	Confident	76.1	Confident	13 Å²	13	75.8 Å²	75.8	9%	0.088	41%	0.411	C	S	.	.			trans	-148.6	163.5	-175.8	61.9	0	0	0	0	111.8	Q313 C323 R330 L331	C308-Q313 HydrophobicContact CB-CB 4.3Å; C308-C323 VanDerWaalsContact C-SG 3.5Å; C308-C323 HydrophobicContact CB-CB 3.91Å; C308-C323 WeakPolarHBondContact CB-SG 3.09Å; C308-C323 WeakPolarHBondContact SG-CA 3.36Å; C308-C323 WeakPolarHBondContact SG-CB 3.31Å; C308-C323 CovalentContact SG-SG 2.03Å; C308-C323 PolarHBondContact SG-SG 3.17Å; C308-R330 PolarHBondContact N-O 3.06Å; C308-R330 WeakPolarHBondContact O-CB 3.46Å; C308-R330 VanDerWaalsContact SG-C 3.5Å; C308-R330 PolarHBondContact SG-O 3.5Å; C308-R330 VanDerWaalsContact SG-O 3.34Å; C308-L331 VanDerWaalsContact SG-C 3.56Å
309	Q	83.5	Confident	75.3	Confident	161 Å²	161	77.7 Å²	77.7	75%	0.752	43%	0.43	S	S	*	.	S	Bend	trans	-112.3	-34.9	168.7	-63.8	-179.8	-22.4	0	0	110.6
310	S	82.7	Confident	75.1	Confident	52 Å²	52	79.5 Å²	79.5	36%	0.364	44%	0.438	S	S	.	.	S	Bend	trans	-137.5	160.7	175	75.8	0	0	0	0	112.1	V312 Q313	S310-V312 PolarHBondContact O-N 3.08Å; S310-V312 VanDerWaalsContact O-N 3.14Å; S310-Q313 PolarHBondContact O-N 2.85Å
311	T	82.2	Confident	75.5	Confident	55 Å²	55	77.8 Å²	77.8	34%	0.337	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-59.6	-23.3	178.4	-56.7	0	0	0	0	113.4	Q313 C314 Q322 C323	T311-Q313 PolarHBondContact O-N 3.38Å; T311-C314 WeakPolarHBondContact O-CB 3.49Å; T311-C314 PolarHBondContact O-N 2.79Å; T311-C314 VanDerWaalsContact O-N 3.08Å; T311-Q322 HydrophobicContact CG2-CB 4.43Å; T311-Q322 HydrophobicContact CG2-CG 4.37Å; T311-C323 PolarHBondContact OG1-N 3.45Å
312	V	81.3	Confident	76.2	Confident	133 Å²	133	79 Å²	79	81%	0.806	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-63.2	-25.6	176.9	-171.6	0	0	0	0	111.9	S310 C314	S310-V312 PolarHBondContact O-N 3.08Å; S310-V312 VanDerWaalsContact O-N 3.14Å; V312-C314 VanDerWaalsContact C-N 3.34Å
313	Q	81.7	Confident	77	Confident	84 Å²	84	76.1 Å²	76.1	39%	0.393	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-82.9	-8.9	177.4	-69.8	168.9	-43.7	0	0	113.6	R306 C308 S310 T311	R306-Q313 PolarHBondContact NE-O 2.71Å; R306-Q313 PolarHBondContact NH2-O 2.87Å; C308-Q313 HydrophobicContact CB-CB 4.3Å; S310-Q313 PolarHBondContact O-N 2.85Å; T311-Q313 PolarHBondContact O-N 3.38Å
314	C	83.6	Confident	78	Confident	3 Å²	3	73.5 Å²	73.5	2%	0.02	39%	0.389	C	S	.	.	S	Bend	trans	-88.2	141.8	169.2	-51.6	0	0	0	0	108.9	T311 V312 S316 C332	T311-C314 WeakPolarHBondContact O-CB 3.49Å; T311-C314 PolarHBondContact O-N 2.79Å; T311-C314 VanDerWaalsContact O-N 3.08Å; V312-C314 VanDerWaalsContact C-N 3.34Å; C314-S316 PolarHBondContact O-N 3.1Å; C314-C332 WeakPolarHBondContact CA-SG 3.47Å; C314-C332 HydrophobicContact CB-CB 3.74Å; C314-C332 WeakPolarHBondContact CB-SG 3.29Å; C314-C332 WeakPolarHBondContact SG-CA 3.47Å; C314-C332 WeakPolarHBondContact SG-CB 3.43Å; C314-C332 CovalentContact SG-SG 2.04Å; C314-C332 PolarHBondContact SG-SG 3.4Å
315	E	70.3	Confident	78.7	Confident	122 Å²	122	70.5 Å²	70.5	57%	0.57	39%	0.389	S	S	*	.			trans	-69.5	94.6	-176.5	-79.1	158.3	-158.2	0	0	111.4	Q299 R306	Q299-E315 PolarHBondContact NE2-OE2 3.03Å; Q299-E315 VanDerWaalsContact OE1-N 3.16Å; R306-E315 IonicContact CZ-OE1 3.16Å; R306-E315 VanDerWaalsContact NH1-CD 3.31Å; R306-E315 IonicContact NH1-OE1 2.73Å; R306-E315 PolarHBondContact NH1-OE1 3.47Å; R306-E315 IonicContact NH2-OE1 3.36Å
316	S	57.7	Low	78.5	Confident	49 Å²	49	69.3 Å²	69.3	34%	0.343	38%	0.381	S	S	.	.			trans	-142	61.5	-167.6	-179.2	0	0	0	0	112.9	C314 G319	C314-S316 PolarHBondContact O-N 3.1Å; S316-G319 VanDerWaalsContact OG-CA 3.23Å; S316-G319 WeakPolarHBondContact OG-CA 3.43Å; S316-G319 PolarHBondContact OG-N 3.28Å
317	L	49.1	Very low	77.5	Confident	194 Å²	194	67.9 Å²	67.9	100%	1.016	38%	0.382	S	S	*	.	S	Bend	trans	-69.5	-12.4	142.4	-90.2	158.4	0	0	0	111.7
318	S	63.1	Low	76	Confident	70 Å²	70	65.2 Å²	65.2	49%	0.49	37%	0.373	S	S	.	.	S	Bend	trans	-118	0.9	-170	62.3	0	0	0	0	115.7	K320	S318-K320 PolarHBondContact O-N 2.77Å; S318-K320 WeakPolarHBondContact OG-CD 3.38Å; S318-K320 WeakPolarHBondContact OG-CG 3.42Å
319	G	69.5	Low	75.1	Confident	41 Å²	41	67 Å²	67	42%	0.423	38%	0.379	S	S	.	.	S	Bend	trans	70.5	6	177.2	0	0	0	0	0	115.8	S316 T335	S316-G319 VanDerWaalsContact OG-CA 3.23Å; S316-G319 WeakPolarHBondContact OG-CA 3.43Å; S316-G319 PolarHBondContact OG-N 3.28Å; G319-T335 PolarHBondContact O-OG1 2.68Å
320	K	81	Confident	75.2	Confident	53 Å²	53	64 Å²	64	23%	0.23	36%	0.361	C	S	.	.			trans	-73.6	-28.7	-167.6	-67.7	179.3	-177.2	178.9	0	115.4	S318 P334 T335 F337	S318-K320 PolarHBondContact O-N 2.77Å; S318-K320 WeakPolarHBondContact OG-CD 3.38Å; S318-K320 WeakPolarHBondContact OG-CG 3.42Å; K320-P334 WeakPolarHBondContact O-CA 3.11Å; K320-T335 PolarHBondContact O-N 3.38Å; K320-T335 PolarHBondContact O-OG1 3.47Å; K320-T335 VanDerWaalsContact O-OG1 3.12Å; K320-F337 HydrophobicContact CB-CB 4.13Å; K320-F337 HydrophobicContact CB-CD1 4.07Å; K320-F337 HydrophobicContact CB-CD2 4.38Å; K320-F337 HydrophobicContact CB-CG 3.94Å; K320-F337 HydrophobicContact CD-CD2 4.07Å; K320-F337 HydrophobicContact CD-CE1 4.43Å; K320-F337 HydrophobicContact CD-CE2 3.94Å; K320-F337 HydrophobicContact CD-CG 4.38Å; K320-F337 HydrophobicContact CD-CZ 4.14Å; K320-F337 HydrophobicContact CG-CB 4.28Å; K320-F337 HydrophobicContact CG-CD1 4.33Å; K320-F337 HydrophobicContact CG-CD2 3.8Å; K320-F337 HydrophobicContact CG-CE2 4.21Å; K320-F337 HydrophobicContact CG-CG 3.88Å; K320-F337 WeakPolarHBondContact O-CB 3Å
321	Y	86.1	Confident	75.4	Confident	20 Å²	20	61.9 Å²	61.9	8%	0.078	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143.6	-175	-70.2	-86	0	0	0	110.9	Q299 C332 C333 P334 I346	Q299-Y321 HydrophobicContact CB-CD1 3.83Å; Q299-Y321 HydrophobicContact CB-CD2 4.46Å; Q299-Y321 HydrophobicContact CB-CE1 3.77Å; Q299-Y321 HydrophobicContact CB-CE2 4.42Å; Q299-Y321 HydrophobicContact CB-CG 4.19Å; Y321-C332 VanDerWaalsContact CD1-O 3.32Å; Y321-C332 WeakPolarHBondContact CD1-O 3.38Å; Y321-C333 CarbonylContact C-O 2.92Å; Y321-C333 VanDerWaalsContact CA-O 3.29Å; Y321-C333 WeakPolarHBondContact CA-O 3.09Å; Y321-P334 HydrophobicContact CD1-CG 4.23Å; Y321-P334 HydrophobicContact CE1-CB 4.48Å; Y321-P334 HydrophobicContact CE1-CG 3.72Å; Y321-I346 HydrophobicContact CE2-CD1 4.09Å
322	Q	87.5	Confident	75.8	Confident	101 Å²	101	59.2 Å²	59.2	47%	0.472	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146	176.4	178.4	171.2	-6.7	0	0	110.4	T311 V324 L331 C333 T335	T311-Q322 HydrophobicContact CG2-CB 4.43Å; T311-Q322 HydrophobicContact CG2-CG 4.37Å; Q322-V324 HydrophobicContact CB-CG1 4.3Å; Q322-V324 HydrophobicContact CG-CG1 4.08Å; Q322-V324 PolarHBondContact O-N 2.03Å; Q322-V324 VanDerWaalsContact O-N 3.11Å; Q322-L331 VanDerWaalsContact O-O 3.11Å; Q322-C333 PolarHBondContact N-O 2.82Å; Q322-C333 PolarHBondContact O-N 3.33Å; Q322-T335 HydrophobicContact CB-CG2 3.37Å
323	C	88.6	Confident	76.2	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.014	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	92.9	177.6	-171.8	0	0	0	0	110.7	C308 T311 R330	C308-C323 VanDerWaalsContact C-SG 3.5Å; C308-C323 HydrophobicContact CB-CB 3.91Å; C308-C323 WeakPolarHBondContact CB-SG 3.09Å; C308-C323 WeakPolarHBondContact SG-CA 3.36Å; C308-C323 WeakPolarHBondContact SG-CB 3.31Å; C308-C323 CovalentContact SG-SG 2.03Å; C308-C323 PolarHBondContact SG-SG 3.17Å; T311-C323 PolarHBondContact OG1-N 3.45Å; C323-R330 PolarHBondContact O-NH2 2.98Å; C323-R330 WeakPolarHBondContact SG-CB 3.34Å; C323-R330 PolarHBondContact SG-NE 3.36Å
324	V	85	Confident	76.5	Confident	44 Å²	44	49.8 Å²	49.8	27%	0.267	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	144.4	-177.8	-54.4	0	0	0	0	110.6	Q322 V326 R330 L331 C333	Q322-V324 HydrophobicContact CB-CG1 4.3Å; Q322-V324 HydrophobicContact CG-CG1 4.08Å; Q322-V324 PolarHBondContact O-N 2.03Å; Q322-V324 VanDerWaalsContact O-N 3.11Å; V324-V326 HydrophobicContact CG2-CG2 3.85Å; V324-V326 PolarHBondContact O-N 2.77Å; V324-R330 CarbonylContact O-C 3.56Å; V324-R330 WeakPolarHBondContact O-CA 3.3Å; V324-R330 WeakPolarHBondContact O-CB 3.35Å; V324-L331 PolarHBondContact N-O 3.02Å; V324-L331 PolarHBondContact O-N 3.49Å; V324-C333 HydrophobicContact CG2-CB 3.52Å; V324-C333 WeakPolarHBondContact CG2-SG 3.02Å
325	P	81.8	Confident	76.3	Confident	89 Å²	89	50.7 Å²	50.7	58%	0.578	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	126.4	172.3	28.4	-33.2	0	0	0	109.5
326	V	75.3	Confident	76.5	Confident	13 Å²	13	48.1 Å²	48.1	8%	0.079	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	112.8	175.2	176.9	0	0	0	0	106.4	S291 T292 V324 T328 K329 L331	S291-V326 WeakPolarHBondContact O-CG1 3.34Å; T292-V326 VanDerWaalsContact C-CG1 3.43Å; T292-V326 WeakPolarHBondContact O-CG1 3.21Å; V324-V326 HydrophobicContact CG2-CG2 3.85Å; V324-V326 PolarHBondContact O-N 2.77Å; V326-T328 PolarHBondContact O-N 2.84Å; V326-K329 CarbonylContact C-O 3.52Å; V326-K329 PolarHBondContact N-O 2.98Å; V326-K329 CarbonylContact O-C 3.59Å; V326-K329 PolarHBondContact O-N 3.26Å; V326-L331 HydrophobicContact CB-CB 4.39Å; V326-L331 HydrophobicContact CB-CD1 3.94Å; V326-L331 HydrophobicContact CB-CG 4.01Å; V326-L331 HydrophobicContact CG1-CD1 3.88Å; V326-L331 HydrophobicContact CG1-CG 4.49Å; V326-L331 HydrophobicContact CG2-CB 4.1Å; V326-L331 HydrophobicContact CG2-CD1 4.2Å; V326-L331 HydrophobicContact CG2-CG 4.26Å
327	G	65.3	Low	77.6	Confident	20 Å²	20	46.3 Å²	46.3	21%	0.206	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	-126.4	-163.1	0	0	0	0	0	110.1	P108	P108-G327 CarbonylContact O-C 3.49Å; P108-G327 WeakPolarHBondContact O-CA 3.42Å
328	T	54	Low	79.4	Confident	51 Å²	51	37.1 Å²	37.1	31%	0.313	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-18.4	179.7	67.2	0	0	0	0	110.6	S107 P108 Y110 V326	S107-T328 VanDerWaalsContact CB-CG2 3.45Å; P108-T328 WeakPolarHBondContact O-CB 3.36Å; P108-T328 PolarHBondContact O-N 3.3Å; P108-T328 PolarHBondContact O-OG1 3.39Å; Y110-T328 HydrophobicContact CD2-CG2 3.61Å; Y110-T328 WeakPolarHBondContact CD2-OG1 3.27Å; Y110-T328 HydrophobicContact CE2-CG2 3.43Å; Y110-T328 VanDerWaalsContact CE2-CG2 3.43Å; Y110-T328 WeakPolarHBondContact CE2-OG1 3.44Å; V326-T328 PolarHBondContact O-N 2.84Å
329	K	68.5	Low	80.4	Confident	50 Å²	50	34 Å²	34	22%	0.217	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	165.7	164	-56.5	179.1	177.2	-157.2	0	109.2	N119 E307 V326 L331	N119-K329 VanDerWaalsContact CG-CE 3.49Å; N119-K329 WeakPolarHBondContact ND2-CE 3.44Å; N119-K329 PolarHBondContact ND2-NZ 2.96Å; N119-K329 VanDerWaalsContact OD1-CE 3.27Å; N119-K329 WeakPolarHBondContact OD1-CE 3.34Å; N119-K329 PolarHBondContact OD1-NZ 3.27Å; E307-K329 HydrophobicContact CG-CD 4.17Å; E307-K329 WeakPolarHBondContact OE1-CD 3.3Å; E307-K329 WeakPolarHBondContact OE1-CE 3.14Å; E307-K329 IonicContact OE1-NZ 3.4Å; E307-K329 PolarHBondContact OE1-NZ 3.33Å; V326-K329 CarbonylContact C-O 3.52Å; V326-K329 PolarHBondContact N-O 2.98Å; V326-K329 CarbonylContact O-C 3.59Å; V326-K329 PolarHBondContact O-N 3.26Å; K329-L331 HydrophobicContact CB-CD2 4.39Å; K329-L331 HydrophobicContact CD-CD2 4.41Å
330	R	85.6	Confident	80.8	Confident	99 Å²	99	33.1 Å²	33.1	37%	0.374	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.9	155.3	-40.9	172.6	62.2	87	5.4	106.6	E307 C308 C323 V324	E307-R330 CarbonylContact C-O 3.36Å; E307-R330 WeakPolarHBondContact CA-O 3.38Å; C308-R330 PolarHBondContact N-O 3.06Å; C308-R330 WeakPolarHBondContact O-CB 3.46Å; C308-R330 VanDerWaalsContact SG-C 3.5Å; C308-R330 PolarHBondContact SG-O 3.5Å; C308-R330 VanDerWaalsContact SG-O 3.34Å; C323-R330 PolarHBondContact O-NH2 2.98Å; C323-R330 WeakPolarHBondContact SG-CB 3.34Å; C323-R330 PolarHBondContact SG-NE 3.36Å; V324-R330 CarbonylContact O-C 3.56Å; V324-R330 WeakPolarHBondContact O-CA 3.3Å; V324-R330 WeakPolarHBondContact O-CB 3.35Å
331	L	87.2	Confident	80.6	Confident	6 Å²	6	33.4 Å²	33.4	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	148.3	-179.9	-62.9	-178.1	0	0	0	109.5	P305 E307 C308 Q322 V324 V326 K329 C333	P305-L331 HydrophobicContact CB-CD1 4.45Å; P305-L331 HydrophobicContact CB-CD2 4.12Å; E307-L331 HydrophobicContact CG-CD2 3.85Å; C308-L331 VanDerWaalsContact SG-C 3.56Å; Q322-L331 VanDerWaalsContact O-O 3.11Å; V324-L331 PolarHBondContact N-O 3.02Å; V324-L331 PolarHBondContact O-N 3.49Å; V326-L331 HydrophobicContact CB-CB 4.39Å; V326-L331 HydrophobicContact CB-CD1 3.94Å; V326-L331 HydrophobicContact CB-CG 4.01Å; V326-L331 HydrophobicContact CG1-CD1 3.88Å; V326-L331 HydrophobicContact CG1-CG 4.49Å; V326-L331 HydrophobicContact CG2-CB 4.1Å; V326-L331 HydrophobicContact CG2-CD1 4.2Å; V326-L331 HydrophobicContact CG2-CG 4.26Å; K329-L331 HydrophobicContact CB-CD2 4.39Å; K329-L331 HydrophobicContact CD-CD2 4.41Å; L331-C333 PolarHBondContact O-N 2.9Å
332	C	90.4	Very high	80.2	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	92.4	166.6	-70.6	0	0	0	0	109.1	Q299 R306 C314 Y321	Q299-C332 HydrophobicContact CB-CB 3.78Å; Q299-C332 PolarHBondContact N-O 2.75Å; R306-C332 HydrophobicContact CB-CB 4.35Å; R306-C332 PolarHBondContact O-N 3.17Å; C314-C332 WeakPolarHBondContact CA-SG 3.47Å; C314-C332 HydrophobicContact CB-CB 3.74Å; C314-C332 WeakPolarHBondContact CB-SG 3.29Å; C314-C332 WeakPolarHBondContact SG-CA 3.47Å; C314-C332 WeakPolarHBondContact SG-CB 3.43Å; C314-C332 CovalentContact SG-SG 2.04Å; C314-C332 PolarHBondContact SG-SG 3.4Å; Y321-C332 VanDerWaalsContact CD1-O 3.32Å; Y321-C332 WeakPolarHBondContact CD1-O 3.38Å
333	C	89.6	Confident	79.8	Confident	6 Å²	6	29.9 Å²	29.9	4%	0.041	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	149.5	-178.3	-66.5	0	0	0	0	112.3	C293 Y321 Q322 V324 L331	C293-C333 WeakPolarHBondContact CA-SG 3.35Å; C293-C333 HydrophobicContact CB-CB 3.7Å; C293-C333 WeakPolarHBondContact CB-SG 3.16Å; C293-C333 WeakPolarHBondContact SG-CA 3.48Å; C293-C333 WeakPolarHBondContact SG-CB 3.35Å; C293-C333 CovalentContact SG-SG 2.03Å; C293-C333 PolarHBondContact SG-SG 3Å; Y321-C333 CarbonylContact C-O 2.92Å; Y321-C333 VanDerWaalsContact CA-O 3.29Å; Y321-C333 WeakPolarHBondContact CA-O 3.09Å; Q322-C333 PolarHBondContact N-O 2.82Å; Q322-C333 PolarHBondContact O-N 3.33Å; V324-C333 HydrophobicContact CG2-CB 3.52Å; V324-C333 WeakPolarHBondContact CG2-SG 3.02Å; L331-C333 PolarHBondContact O-N 2.9Å
334	P	86.4	Confident	79.5	Confident	13 Å²	13	30.1 Å²	30.1	8%	0.084	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	144.3	176.4	-25.7	36	0	0	0	112.9	S297 K320 Y321 F337 I338	S297-P334 VanDerWaalsContact O-CD 3.25Å; S297-P334 WeakPolarHBondContact O-CD 3.32Å; S297-P334 WeakPolarHBondContact O-CG 3.46Å; K320-P334 WeakPolarHBondContact O-CA 3.11Å; Y321-P334 HydrophobicContact CD1-CG 4.23Å; Y321-P334 HydrophobicContact CE1-CB 4.48Å; Y321-P334 HydrophobicContact CE1-CG 3.72Å; P334-F337 HydrophobicContact CB-CD1 4.45Å; P334-I338 HydrophobicContact CB-CD1 3.72Å; P334-I338 HydrophobicContact CB-CG1 3.87Å
335	T	80.1	Confident	79.2	Confident	21 Å²	21	28.4 Å²	28.4	13%	0.129	16%	0.163	C	C	.	.			trans	-102.1	-146.6	-177.6	60.3	0	0	0	0	111.2	G319 K320 Q322 F337 I338	G319-T335 PolarHBondContact O-OG1 2.68Å; K320-T335 PolarHBondContact O-N 3.38Å; K320-T335 PolarHBondContact O-OG1 3.47Å; K320-T335 VanDerWaalsContact O-OG1 3.12Å; Q322-T335 HydrophobicContact CB-CG2 3.37Å; T335-F337 PolarHBondContact O-N 2.81Å; T335-F337 PolarHBondContact OG1-N 2.76Å; T335-I338 PolarHBondContact O-N 2.99Å
336	T	75.4	Confident	78.7	Confident	69 Å²	69	28.9 Å²	28.9	42%	0.423	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-9.9	159.6	53.2	0	0	0	0	114.3	I338 C339 S340 N401	T336-I338 PolarHBondContact O-N 2.87Å; T336-C339 CarbonylContact O-C 3.57Å; T336-C339 WeakPolarHBondContact O-CA 3.37Å; T336-C339 WeakPolarHBondContact O-CB 3.25Å; T336-C339 PolarHBondContact O-N 3.46Å; T336-S340 PolarHBondContact O-N 2.86Å; T336-N401 HydrophobicContact CG2-CB 3.66Å
337	F	81	Confident	78.1	Confident	11 Å²	11	31.4 Å²	31.4	5%	0.048	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-34.2	165	177.5	-130.5	0	0	0	113.8	K320 P334 T335 C339 S340 M342 G344 R345 I346	K320-F337 HydrophobicContact CB-CB 4.13Å; K320-F337 HydrophobicContact CB-CD1 4.07Å; K320-F337 HydrophobicContact CB-CD2 4.38Å; K320-F337 HydrophobicContact CB-CG 3.94Å; K320-F337 HydrophobicContact CD-CD2 4.07Å; K320-F337 HydrophobicContact CD-CE1 4.43Å; K320-F337 HydrophobicContact CD-CE2 3.94Å; K320-F337 HydrophobicContact CD-CG 4.38Å; K320-F337 HydrophobicContact CD-CZ 4.14Å; K320-F337 HydrophobicContact CG-CB 4.28Å; K320-F337 HydrophobicContact CG-CD1 4.33Å; K320-F337 HydrophobicContact CG-CD2 3.8Å; K320-F337 HydrophobicContact CG-CE2 4.21Å; K320-F337 HydrophobicContact CG-CG 3.88Å; K320-F337 WeakPolarHBondContact O-CB 3Å; P334-F337 HydrophobicContact CB-CD1 4.45Å; T335-F337 PolarHBondContact O-N 2.81Å; T335-F337 PolarHBondContact OG1-N 2.76Å; F337-C339 PolarHBondContact O-N 3.27Å; F337-S340 VanDerWaalsContact O-CB 3.29Å; F337-S340 WeakPolarHBondContact O-CB 3.38Å; F337-S340 PolarHBondContact O-N 3.44Å; F337-S340 VanDerWaalsContact O-N 3.13Å; F337-S340 PolarHBondContact O-OG 2.78Å; F337-M342 HydrophobicContact CD2-CB 4.5Å; F337-M342 HydrophobicContact CE2-CB 3.67Å; F337-M342 HydrophobicContact CE2-CE 4.07Å; F337-M342 HydrophobicContact CE2-CG 4.28Å; F337-M342 HydrophobicContact CE2-SD 3.8Å; F337-M342 HydrophobicContact CZ-CB 4.26Å; F337-M342 HydrophobicContact CZ-CE 4.28Å; F337-G344 WeakPolarHBondContact CE1-O 3.44Å; F337-G344 PolarHBondContact O-N 2.86Å; F337-R345 WeakPolarHBondContact CZ-O 3.32Å; F337-I346 HydrophobicContact CE1-CG1 4.1Å; F337-I346 HydrophobicContact CZ-CG1 4.07Å
338	I	85.7	Confident	78	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-39.1	170.7	-73.1	157.7	0	0	0	111.2	R295 P334 T335 T336 S340 G343 F385 N386 F388 F397	R295-I338 HydrophobicContact CB-CD1 4.07Å; R295-I338 HydrophobicContact CG-CD1 3.76Å; R295-I338 HydrophobicContact CG-CG2 4.43Å; R295-I338 WeakPolarHBondContact O-CD1 3.21Å; P334-I338 HydrophobicContact CB-CD1 3.72Å; P334-I338 HydrophobicContact CB-CG1 3.87Å; T335-I338 PolarHBondContact O-N 2.99Å; T336-I338 PolarHBondContact O-N 2.87Å; I338-S340 PolarHBondContact O-N 2.77Å; I338-G343 CarbonylContact O-C 3.17Å; I338-G343 WeakPolarHBondContact O-CA 3.44Å; I338-F385 HydrophobicContact CG1-CB 4.11Å; I338-F385 HydrophobicContact CG2-CB 4.18Å; I338-F385 WeakPolarHBondContact CG2-O 3.44Å; I338-N386 VanDerWaalsContact O-CB 3.29Å; I338-N386 WeakPolarHBondContact O-CB 3.35Å; I338-F388 HydrophobicContact CG2-CZ 4.31Å; I338-F397 HydrophobicContact CB-CE1 3.89Å; I338-F397 HydrophobicContact CD1-CE1 3.73Å; I338-F397 HydrophobicContact CD1-CZ 3.53Å; I338-F397 HydrophobicContact CG1-CE1 4.45Å; I338-F397 HydrophobicContact CG2-CD1 4.34Å; I338-F397 HydrophobicContact CG2-CE1 3.8Å
339	C	83.8	Confident	78.3	Confident	5 Å²	5	36.6 Å²	36.6	3%	0.034	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	7.1	179.3	-46.6	0	0	0	0	113	T336 F337 F366 S368 C398	T336-C339 CarbonylContact O-C 3.57Å; T336-C339 WeakPolarHBondContact O-CA 3.37Å; T336-C339 WeakPolarHBondContact O-CB 3.25Å; T336-C339 PolarHBondContact O-N 3.46Å; F337-C339 PolarHBondContact O-N 3.27Å; C339-F366 HydrophobicContact CB-CB 4.36Å; C339-F366 HydrophobicContact CB-CD1 3.67Å; C339-F366 HydrophobicContact CB-CE1 4.14Å; C339-F366 HydrophobicContact CB-CG 4.18Å; C339-F366 WeakPolarHBondContact O-CD1 3.24Å; C339-S368 WeakPolarHBondContact O-CB 3.25Å; C339-S368 PolarHBondContact O-OG 3.24Å; C339-C398 HydrophobicContact CB-CB 3.7Å; C339-C398 WeakPolarHBondContact CB-SG 3.47Å; C339-C398 WeakPolarHBondContact SG-CA 3.39Å; C339-C398 WeakPolarHBondContact SG-CB 3.31Å; C339-C398 CovalentContact SG-SG 2.03Å; C339-C398 PolarHBondContact SG-SG 2.85Å
340	S	78.9	Confident	77.9	Confident	23 Å²	23	36.5 Å²	36.5	16%	0.161	22%	0.216	C	C	.	.	S	Bend	trans	-85.2	167.6	175.1	78.4	0	0	0	0	110.7	T336 F337 I338 M342 G343 S351	T336-S340 PolarHBondContact O-N 2.86Å; F337-S340 VanDerWaalsContact O-CB 3.29Å; F337-S340 WeakPolarHBondContact O-CB 3.38Å; F337-S340 PolarHBondContact O-N 3.44Å; F337-S340 VanDerWaalsContact O-N 3.13Å; F337-S340 PolarHBondContact O-OG 2.78Å; I338-S340 PolarHBondContact O-N 2.77Å; S340-M342 PolarHBondContact O-N 3.2Å; S340-M342 WeakPolarHBondContact OG-CB 3.23Å; S340-M342 PolarHBondContact OG-N 3Å; S340-G343 PolarHBondContact O-N 3.33Å; S340-S351 PolarHBondContact O-OG 3.05Å
341	P	77.2	Confident	76.9	Confident	59 Å²	59	33.6 Å²	33.6	38%	0.383	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-18.4	171.9	-24.2	35.6	0	0	0	113.9	G343 L350 S351	P341-G343 VanDerWaalsContact C-N 3.3Å; P341-L350 PolarHBondContact O-N 3.04Å; P341-S351 PolarHBondContact O-N 2.04Å; P341-S351 PolarHBondContact O-OG 2.83Å; P341-S351 VanDerWaalsContact O-OG 3.09Å
342	M	76.4	Confident	76.1	Confident	47 Å²	47	36 Å²	36	23%	0.232	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-9.1	175	-57.1	-178.5	65.1	0	0	113.5	F337 S340 G344 R345 H348	F337-M342 HydrophobicContact CD2-CB 4.5Å; F337-M342 HydrophobicContact CE2-CB 3.67Å; F337-M342 HydrophobicContact CE2-CE 4.07Å; F337-M342 HydrophobicContact CE2-CG 4.28Å; F337-M342 HydrophobicContact CE2-SD 3.8Å; F337-M342 HydrophobicContact CZ-CB 4.26Å; F337-M342 HydrophobicContact CZ-CE 4.28Å; S340-M342 PolarHBondContact O-N 3.2Å; S340-M342 WeakPolarHBondContact OG-CB 3.23Å; S340-M342 PolarHBondContact OG-N 3Å; M342-G344 PolarHBondContact O-N 2.67Å; M342-G344 VanDerWaalsContact O-N 3.08Å; M342-R345 WeakPolarHBondContact CE-O 3.48Å; M342-R345 PolarHBondContact O-N 2.78Å; M342-H348 VanDerWaalsContact CA-O 3.26Å; M342-H348 WeakPolarHBondContact CA-O 3.42Å; M342-H348 WeakPolarHBondContact CB-O 3.28Å
343	G	80.1	Confident	75.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	23.6	173.1	0	0	0	0	0	115.6	I338 S340 P341 N384 F385	I338-G343 CarbonylContact O-C 3.17Å; I338-G343 WeakPolarHBondContact O-CA 3.44Å; S340-G343 PolarHBondContact O-N 3.33Å; P341-G343 VanDerWaalsContact C-N 3.3Å; G343-N384 WeakPolarHBondContact O-CB 3.39Å; G343-F385 WeakPolarHBondContact O-CA 3.35Å; G343-F385 WeakPolarHBondContact O-CB 3.47Å; G343-F385 PolarHBondContact O-N 2.83Å
344	G	81	Confident	75.3	Confident	6 Å²	6	39.5 Å²	39.5	6%	0.062	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	4.6	-174	0	0	0	0	0	115.5	F337 M342	F337-G344 WeakPolarHBondContact CE1-O 3.44Å; F337-G344 PolarHBondContact O-N 2.86Å; M342-G344 PolarHBondContact O-N 2.67Å; M342-G344 VanDerWaalsContact O-N 3.08Å
345	R	79.6	Confident	74.8	Confident	9 Å²	9	39.9 Å²	39.9	3%	0.034	26%	0.255	C	S	.	.			trans	-99.7	128	175.8	-59.5	-171.2	66.1	-159.6	-7.1	110.5	D213 F337 M342 G383 N384	D213-R345 IonicContact OD1-CZ 3.48Å; D213-R345 IonicContact OD1-NE 3.56Å; D213-R345 PolarHBondContact OD1-NE 2.6Å; D213-R345 IonicContact OD1-NH2 2.75Å; D213-R345 PolarHBondContact OD1-NH2 2.95Å; D213-R345 VanDerWaalsContact OD2-CG 3.28Å; D213-R345 WeakPolarHBondContact OD2-CG 3.14Å; D213-R345 IonicContact OD2-CZ 3.3Å; D213-R345 IonicContact OD2-NE 3.84Å; D213-R345 PolarHBondContact OD2-NE 2.81Å; D213-R345 IonicContact OD2-NH2 3.74Å; F337-R345 WeakPolarHBondContact CZ-O 3.32Å; M342-R345 WeakPolarHBondContact CE-O 3.48Å; M342-R345 PolarHBondContact O-N 2.78Å; R345-G383 WeakPolarHBondContact CD-O 3.36Å; R345-N384 HydrophobicContact CG-CB 3.91Å
346	I	70.2	Confident	74.5	Confident	98 Å²	98	41 Å²	41	50%	0.503	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	134.8	177.9	-58.9	179.6	0	0	0	109	Y321 F337 H348	Y321-I346 HydrophobicContact CE2-CD1 4.09Å; F337-I346 HydrophobicContact CE1-CG1 4.1Å; F337-I346 HydrophobicContact CZ-CG1 4.07Å; I346-H348 VanDerWaalsContact C-N 3.34Å; I346-H348 PolarHBondContact O-CD2 2.96Å; I346-H348 VanDerWaalsContact O-CD2 3.27Å; I346-H348 PolarHBondContact O-N 3.43Å
347	G	63.7	Low	74.3	Confident	67 Å²	67	38.9 Å²	38.9	69%	0.691	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	-10.1	174.6	0	0	0	0	0	115.9
348	H	63.9	Low	73.7	Confident	84 Å²	84	46.3 Å²	46.3	39%	0.389	30%	0.296	S	S	.	.			trans	-123.5	134	-176.6	-54.6	-81.2	0	0	0	111.4	M342 I346 L350	M342-H348 VanDerWaalsContact CA-O 3.26Å; M342-H348 WeakPolarHBondContact CA-O 3.42Å; M342-H348 WeakPolarHBondContact CB-O 3.28Å; I346-H348 VanDerWaalsContact C-N 3.34Å; I346-H348 PolarHBondContact O-CD2 2.96Å; I346-H348 VanDerWaalsContact O-CD2 3.27Å; I346-H348 PolarHBondContact O-N 3.43Å; H348-L350 HydrophobicContact CB-CD1 3.47Å; H348-L350 VanDerWaalsContact CB-CD1 3.47Å; H348-L350 HydrophobicContact CB-CG 3.8Å
349	S	59.6	Low	72.8	Confident	95 Å²	95	48.2 Å²	48.2	66%	0.664	31%	0.306	S	S	*	.			trans	-103.6	119	168.8	-172.4	0	0	0	0	108.4
350	L	60.6	Low	72.4	Confident	48 Å²	48	54 Å²	54	25%	0.251	34%	0.335	S	S	.	.			trans	-152	30	-155.1	-79.3	-179.3	0	0	0	112.6	P341 H348 P352 D353 N384	P341-L350 PolarHBondContact O-N 3.04Å; H348-L350 HydrophobicContact CB-CD1 3.47Å; H348-L350 VanDerWaalsContact CB-CD1 3.47Å; H348-L350 HydrophobicContact CB-CG 3.8Å; L350-P352 CarbonylContact O-C 3.59Å; L350-D353 HydrophobicContact CB-CB 4.01Å; L350-D353 HydrophobicContact CD2-CB 4.49Å; L350-D353 WeakPolarHBondContact O-CA 3.43Å; L350-D353 WeakPolarHBondContact O-CB 3.48Å; L350-D353 PolarHBondContact O-N 2.87Å; L350-N384 PolarHBondContact O-ND2 2.03Å
351	S	64.1	Low	72.2	Confident	39 Å²	39	54.6 Å²	54.6	27%	0.273	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	125.4	-179	-65.4	0	0	0	0	112.9	S340 P341 N386	S340-S351 PolarHBondContact O-OG 3.05Å; P341-S351 PolarHBondContact O-N 2.04Å; P341-S351 PolarHBondContact O-OG 2.83Å; P341-S351 VanDerWaalsContact O-OG 3.09Å; S351-N386 PolarHBondContact OG-ND2 3.12Å
352	P	71.3	Confident	72.6	Confident	56 Å²	56	55.7 Å²	55.7	36%	0.364	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	cis	-80.8	127.9	-13.9	31.2	-31	0	0	0	112.6	L350 S354 Y365 F376	L350-P352 CarbonylContact O-C 3.59Å; P352-S354 PolarHBondContact O-N 2.03Å; P352-Y365 HydrophobicContact CB-CD1 3.71Å; P352-Y365 HydrophobicContact CB-CD2 3.97Å; P352-Y365 HydrophobicContact CB-CE1 3.78Å; P352-Y365 HydrophobicContact CB-CE2 4.04Å; P352-Y365 HydrophobicContact CB-CG 3.82Å; P352-Y365 HydrophobicContact CG-CD1 4.26Å; P352-Y365 HydrophobicContact CG-CE1 3.79Å; P352-Y365 HydrophobicContact CG-CE2 4.17Å; P352-F376 HydrophobicContact CB-CB 4.04Å; P352-F376 HydrophobicContact CB-CD2 4.03Å; P352-F376 HydrophobicContact CB-CG 3.99Å; P352-F376 HydrophobicContact CG-CB 4.44Å
353	D	79.8	Confident	73.2	Confident	35 Å²	35	53.7 Å²	53.7	19%	0.187	34%	0.339	C	S	.	.			trans	-89.5	103.9	172.8	-179.3	6.6	0	0	0	108.7	L350 G355 F376 G383	L350-D353 HydrophobicContact CB-CB 4.01Å; L350-D353 HydrophobicContact CD2-CB 4.49Å; L350-D353 WeakPolarHBondContact O-CA 3.43Å; L350-D353 WeakPolarHBondContact O-CB 3.48Å; L350-D353 PolarHBondContact O-N 2.87Å; D353-G355 PolarHBondContact O-N 3.25Å; D353-G355 WeakPolarHBondContact OD1-CA 3.28Å; D353-G355 PolarHBondContact OD1-N 3.11Å; D353-F376 WeakPolarHBondContact O-CE2 3.01Å; D353-G383 VanDerWaalsContact CG-CA 3.44Å; D353-G383 VanDerWaalsContact OD2-C 3.27Å; D353-G383 WeakPolarHBondContact OD2-CA 3.45Å; D353-G383 PolarHBondContact OD2-N 3.12Å
354	S	82.2	Confident	73.6	Confident	45 Å²	45	57.2 Å²	57.2	32%	0.315	35%	0.352	S	S	.	.			trans	-63.9	-17.9	176.5	-54.7	0	0	0	0	112.3	P352 Q377 Y378 K379	P352-S354 PolarHBondContact O-N 2.03Å; S354-Q377 WeakPolarHBondContact CA-O 3.4Å; S354-Q377 VanDerWaalsContact CB-O 3.31Å; S354-Q377 WeakPolarHBondContact CB-O 3.45Å; S354-Q377 PolarHBondContact OG-O 2.66Å; S354-Y378 WeakPolarHBondContact O-CD2 3.08Å; S354-K379 WeakPolarHBondContact O-CB 2.95Å; S354-K379 PolarHBondContact O-N 2.87Å
355	G	76.9	Confident	74.1	Confident	20 Å²	20	57.9 Å²	57.9	21%	0.206	35%	0.353	C	S	.	.			trans	71.6	-160.3	-175.2	0	0	0	0	0	113.3	D353 F381	D353-G355 PolarHBondContact O-N 3.25Å; D353-G355 WeakPolarHBondContact OD1-CA 3.28Å; D353-G355 PolarHBondContact OD1-N 3.11Å; G355-F381 CarbonylContact C-O 3.54Å; G355-F381 WeakPolarHBondContact CA-O 3.32Å
356	S	73.2	Confident	74.4	Confident	45 Å²	45	57.8 Å²	57.8	32%	0.315	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-125.4	165.9	176.4	62.1	0	0	0	0	111	K379 F381	S356-K379 CarbonylContact O-C 3.56Å; S356-K379 VanDerWaalsContact O-CB 3.27Å; S356-K379 WeakPolarHBondContact O-CB 3.34Å; S356-F381 PolarHBondContact N-O 3.45Å; S356-F381 WeakPolarHBondContact O-CA 3.47Å; S356-F381 WeakPolarHBondContact O-CB 3.24Å; S356-F381 WeakPolarHBondContact O-CD2 3.43Å; S356-F381 PolarHBondContact O-N 3.05Å
357	G	70.9	Confident	75.1	Confident	25 Å²	25	54 Å²	54	26%	0.258	33%	0.334	S	S	.	.	S	Bend	trans	115.3	178	-178.8	0	0	0	0	0	115.2	K379	G357-K379 CarbonylContact C-O 3.36Å; G357-K379 VanDerWaalsContact CA-O 3.3Å; G357-K379 WeakPolarHBondContact CA-O 3.33Å
358	D	67.6	Low	75.6	Confident	166 Å²	166	51.7 Å²	51.7	89%	0.888	31%	0.307	S	S	*	.	S	Bend	trans	-101.6	-2	-177.7	-56.7	-45.6	0	0	0	113.2
359	L	67.8	Low	76.1	Confident	41 Å²	41	52.1 Å²	52.1	22%	0.215	32%	0.317	C	S	.	.			trans	-69.6	146.6	171.6	-176.1	56.2	0	0	0	108.8	V273 E361 K379	V273-L359 HydrophobicContact CG1-CD1 3.52Å; V273-L359 HydrophobicContact CG1-CD2 4.39Å; L359-E361 HydrophobicContact CD1-CG 4.03Å; L359-E361 HydrophobicContact CD2-CG 3.96Å; L359-E361 HydrophobicContact CG-CG 3.91Å; L359-K379 WeakPolarHBondContact CB-O 3.04Å; L359-K379 PolarHBondContact N-O 3.34Å; L359-K379 VanDerWaalsContact O-CA 3.24Å; L359-K379 WeakPolarHBondContact O-CA 3.09Å
360	I	75.5	Confident	76.6	Confident	125 Å²	125	48.4 Å²	48.4	64%	0.641	29%	0.291	S	S	*	.			trans	-132.3	87.2	171	-55.5	-179.7	0	0	0	107.4	Q377	I360-Q377 HydrophobicContact CG2-CB 4.47Å; I360-Q377 HydrophobicContact CG2-CG 4.26Å
361	E	75.1	Confident	77.2	Confident	36 Å²	36	49.4 Å²	49.4	17%	0.168	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.6	173.7	-80.9	-175.3	175.5	0	0	110.9	S239 L359 R363 Y378	S239-E361 WeakPolarHBondContact CB-OE1 3.43Å; S239-E361 WeakPolarHBondContact CB-OE2 3.4Å; S239-E361 PolarHBondContact OG-OE1 3.11Å; S239-E361 PolarHBondContact OG-OE2 3.34Å; L359-E361 HydrophobicContact CD1-CG 4.03Å; L359-E361 HydrophobicContact CD2-CG 3.96Å; L359-E361 HydrophobicContact CG-CG 3.91Å; E361-R363 HydrophobicContact CB-CG 4.32Å; E361-R363 PolarHBondContact O-N 2.96Å; E361-R363 IonicContact OE2-CZ 3.41Å; E361-R363 IonicContact OE2-NE 3.47Å; E361-R363 PolarHBondContact OE2-NE 2.88Å; E361-R363 IonicContact OE2-NH2 2.65Å; E361-R363 PolarHBondContact OE2-NH2 2.03Å; E361-Y378 PolarHBondContact N-O 3.33Å; E361-Y378 VanDerWaalsContact N-O 3.08Å; E361-Y378 PolarHBondContact O-N 3.13Å
362	A	85.5	Confident	77.7	Confident	82 Å²	82	49.4 Å²	49.4	68%	0.678	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	116.8	165.3	0	0	0	0	0	109.2
363	R	87.8	Confident	78.3	Confident	5 Å²	5	47.4 Å²	47.4	2%	0.019	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	167.7	178	-64.7	-61	-165.4	102.3	-0.3	109.9	S239 E361 A375 F376 Y378 N387	S239-R363 VanDerWaalsContact N-NH2 3.18Å; S239-R363 PolarHBondContact OG-NH2 3.36Å; S239-R363 VanDerWaalsContact OG-NH2 3.1Å; E361-R363 HydrophobicContact CB-CG 4.32Å; E361-R363 PolarHBondContact O-N 2.96Å; E361-R363 IonicContact OE2-CZ 3.41Å; E361-R363 IonicContact OE2-NE 3.47Å; E361-R363 PolarHBondContact OE2-NE 2.88Å; E361-R363 IonicContact OE2-NH2 2.65Å; E361-R363 PolarHBondContact OE2-NH2 2.03Å; R363-A375 CarbonylContact O-C 3.52Å; R363-A375 VanDerWaalsContact O-CA 3.28Å; R363-A375 WeakPolarHBondContact O-CA 3Å; R363-F376 HydrophobicContact CB-CD1 3.91Å; R363-F376 HydrophobicContact CB-CE1 3.42Å; R363-F376 VanDerWaalsContact CB-CE1 3.42Å; R363-F376 HydrophobicContact CB-CZ 3.83Å; R363-F376 PolarHBondContact N-O 3.18Å; R363-F376 WeakPolarHBondContact O-CD1 3.15Å; R363-F376 PolarHBondContact O-N 3.39Å; R363-Y378 HydrophobicContact CG-CD1 4.49Å; R363-Y378 HydrophobicContact CG-CG 4.31Å; R363-N387 WeakPolarHBondContact CB-OD1 3.3Å; R363-N387 WeakPolarHBondContact CD-OD1 3.08Å; R363-N387 VanDerWaalsContact CG-OD1 3.27Å; R363-N387 WeakPolarHBondContact CG-OD1 3.48Å; R363-N387 PolarHBondContact NH1-OD1 3.06Å
364	W	90.1	Very high	78.7	Confident	74 Å²	74	50.4 Å²	50.4	28%	0.28	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	139.6	175.8	-65	80.3	0	0	0	110.3	C373 R374 A375 F388 R391 C394	W364-C373 HydrophobicContact CE3-CB 4.25Å; W364-C373 WeakPolarHBondContact CZ3-O 3.36Å; W364-R374 CarbonylContact C-O 3.49Å; W364-R374 WeakPolarHBondContact CA-O 3.47Å; W364-A375 HydrophobicContact CD2-CB 4.41Å; W364-A375 HydrophobicContact CE3-CB 4.38Å; W364-A375 HydrophobicContact CH2-CB 4.34Å; W364-A375 HydrophobicContact CZ2-CB 4.36Å; W364-A375 HydrophobicContact CZ3-CB 4.36Å; W364-F388 HydrophobicContact CB-CB 4.27Å; W364-F388 PolarHBondContact N-O 2.69Å; W364-F388 WeakPolarHBondContact O-CD2 3.33Å; W364-F388 PolarHBondContact O-N 2.87Å; W364-R391 HydrophobicContact CD2-CB 3.66Å; W364-R391 HydrophobicContact CD2-CG 4.26Å; W364-R391 HydrophobicContact CE3-CB 3.79Å; W364-R391 HydrophobicContact CE3-CG 3.85Å; W364-R391 HydrophobicContact CG-CB 4.29Å; W364-R391 HydrophobicContact CH2-CB 3.96Å; W364-R391 HydrophobicContact CH2-CG 4.13Å; W364-R391 HydrophobicContact CZ2-CB 3.84Å; W364-R391 HydrophobicContact CZ3-CB 3.93Å; W364-R391 HydrophobicContact CZ3-CG 3.78Å; W364-C394 HydrophobicContact CB-CB 4.11Å
365	Y	89.8	Confident	79	Confident	21 Å²	21	51.4 Å²	51.4	8%	0.082	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	150.9	170.7	81.1	-76.1	0	0	0	109.3	P352 D367 C373 R374 F376 N386	P352-Y365 HydrophobicContact CB-CD1 3.71Å; P352-Y365 HydrophobicContact CB-CD2 3.97Å; P352-Y365 HydrophobicContact CB-CE1 3.78Å; P352-Y365 HydrophobicContact CB-CE2 4.04Å; P352-Y365 HydrophobicContact CB-CG 3.82Å; P352-Y365 HydrophobicContact CG-CD1 4.26Å; P352-Y365 HydrophobicContact CG-CE1 3.79Å; P352-Y365 HydrophobicContact CG-CE2 4.17Å; Y365-D367 HydrophobicContact CE2-CB 3.73Å; Y365-D367 WeakPolarHBondContact CE2-OD1 3.33Å; Y365-D367 PolarHBondContact O-N 2.88Å; Y365-D367 PolarHBondContact OH-OD1 3.02Å; Y365-C373 CarbonylContact O-C 3.54Å; Y365-C373 WeakPolarHBondContact O-CA 3.13Å; Y365-R374 HydrophobicContact CD1-CB 4.16Å; Y365-R374 VanDerWaalsContact CD1-O 3.27Å; Y365-R374 WeakPolarHBondContact CD1-O 3.46Å; Y365-R374 HydrophobicContact CE1-CB 3.58Å; Y365-R374 PolarHBondContact N-O 2.69Å; Y365-R374 PolarHBondContact O-N 2.82Å; Y365-F376 HydrophobicContact CD1-CB 4.01Å; Y365-F376 AromaticContact CD1-CD1 3.78Å; Y365-F376 HydrophobicContact CD1-CD1 3.78Å; Y365-F376 HydrophobicContact CD1-CG 4.13Å; Y365-F376 HydrophobicContact CE1-CB 4.33Å; Y365-F376 HydrophobicContact CG-CD1 4.25Å; Y365-N386 WeakPolarHBondContact CA-O 3.48Å; Y365-N386 WeakPolarHBondContact CB-O 3.29Å
366	F	86.4	Confident	79.6	Confident	6 Å²	6	51.5 Å²	51.5	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	111.5	170.4	-178.7	-96.6	0	0	0	109.3	C339 S368 K371 E372 N386 C398 V399	C339-F366 HydrophobicContact CB-CB 4.36Å; C339-F366 HydrophobicContact CB-CD1 3.67Å; C339-F366 HydrophobicContact CB-CE1 4.14Å; C339-F366 HydrophobicContact CB-CG 4.18Å; C339-F366 WeakPolarHBondContact O-CD1 3.24Å; F366-S368 PolarHBondContact O-N 2.87Å; F366-K371 HydrophobicContact CE1-CD 4.11Å; F366-K371 HydrophobicContact CE2-CB 4.44Å; F366-K371 WeakPolarHBondContact CE2-O 3.02Å; F366-K371 HydrophobicContact CZ-CB 4.07Å; F366-K371 HydrophobicContact CZ-CD 3.75Å; F366-E372 CarbonylContact C-O 3.56Å; F366-E372 WeakPolarHBondContact CA-O 3.48Å; F366-N386 PolarHBondContact N-OD1 3.3Å; F366-N386 PolarHBondContact O-ND2 2.9Å; F366-C398 HydrophobicContact CB-CB 3.59Å; F366-C398 VanDerWaalsContact CB-SG 3.53Å; F366-C398 HydrophobicContact CD1-CB 4.13Å; F366-C398 HydrophobicContact CD2-CB 3.39Å; F366-C398 HydrophobicContact CE2-CB 4Å; F366-C398 HydrophobicContact CG-CB 3.43Å; F366-C398 VanDerWaalsContact CG-CB 3.43Å; F366-V399 HydrophobicContact CD2-CG2 4.04Å; F366-V399 HydrophobicContact CE2-CG2 3.81Å
367	D	84.8	Confident	80.3	Confident	20 Å²	20	55.2 Å²	55.2	11%	0.107	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	97.7	173.2	-167.9	71.3	0	0	0	109	Y365 P369 S370 K371 E372 R374	Y365-D367 HydrophobicContact CE2-CB 3.73Å; Y365-D367 WeakPolarHBondContact CE2-OD1 3.33Å; Y365-D367 PolarHBondContact O-N 2.88Å; Y365-D367 PolarHBondContact OH-OD1 3.02Å; D367-P369 VanDerWaalsContact C-CD 3.43Å; D367-P369 VanDerWaalsContact C-N 3.26Å; D367-P369 WeakPolarHBondContact OD2-CD 3.38Å; D367-S370 PolarHBondContact O-N 3.33Å; D367-S370 WeakPolarHBondContact OD2-CB 3.32Å; D367-S370 PolarHBondContact OD2-N 3.47Å; D367-S370 PolarHBondContact OD2-OG 3.36Å; D367-K371 WeakPolarHBondContact O-CA 3.16Å; D367-K371 PolarHBondContact O-N 2.84Å; D367-E372 PolarHBondContact N-O 3.23Å; D367-R374 HydrophobicContact CB-CG 4.17Å
368	S	75.2	Confident	81	Confident	18 Å²	18	54.2 Å²	54.2	13%	0.126	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.5	-176.7	-133.2	0	0	0	0	114.3	C339 F366 K371	C339-S368 WeakPolarHBondContact O-CB 3.25Å; C339-S368 PolarHBondContact O-OG 3.24Å; F366-S368 PolarHBondContact O-N 2.87Å; S368-K371 WeakPolarHBondContact O-CD 3.24Å; S368-K371 WeakPolarHBondContact O-CE 3.37Å; S368-K371 PolarHBondContact O-NZ 3.09Å
369	P	73.5	Confident	81.6	Confident	92 Å²	92	50.9 Å²	50.9	60%	0.597	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-56.8	168.5	-24.8	36.3	0	0	0	114.2	D367 K371	D367-P369 VanDerWaalsContact C-CD 3.43Å; D367-P369 VanDerWaalsContact C-N 3.26Å; D367-P369 WeakPolarHBondContact OD2-CD 3.38Å; P369-K371 VanDerWaalsContact C-N 3.31Å; P369-K371 PolarHBondContact O-N 2.91Å
370	S	71.2	Confident	81.7	Confident	17 Å²	17	49.5 Å²	49.5	12%	0.119	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-15.2	-176.2	81.9	0	0	0	0	114.5	D367 E372 R374	D367-S370 PolarHBondContact O-N 3.33Å; D367-S370 WeakPolarHBondContact OD2-CB 3.32Å; D367-S370 PolarHBondContact OD2-N 3.47Å; D367-S370 PolarHBondContact OD2-OG 3.36Å; S370-E372 VanDerWaalsContact CB-OE2 3.27Å; S370-E372 WeakPolarHBondContact CB-OE2 3.45Å; S370-E372 PolarHBondContact O-N 3.08Å; S370-E372 VanDerWaalsContact OG-CB 3.31Å; S370-E372 WeakPolarHBondContact OG-CB 3.35Å; S370-E372 VanDerWaalsContact OG-CG 3.3Å; S370-E372 WeakPolarHBondContact OG-CG 3.02Å; S370-E372 PolarHBondContact OG-N 2.93Å; S370-E372 PolarHBondContact OG-OE2 3.02Å; S370-R374 PolarHBondContact OG-NE 3.06Å; S370-R374 PolarHBondContact OG-NH2 3.44Å
371	K	72.1	Confident	81.8	Confident	69 Å²	69	44.6 Å²	44.6	30%	0.3	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	25.2	-171.3	-52.9	-61.1	178.5	-160.9	0	113.8	F366 D367 S368 P369 V416	F366-K371 HydrophobicContact CE1-CD 4.11Å; F366-K371 HydrophobicContact CE2-CB 4.44Å; F366-K371 WeakPolarHBondContact CE2-O 3.02Å; F366-K371 HydrophobicContact CZ-CB 4.07Å; F366-K371 HydrophobicContact CZ-CD 3.75Å; D367-K371 WeakPolarHBondContact O-CA 3.16Å; D367-K371 PolarHBondContact O-N 2.84Å; S368-K371 WeakPolarHBondContact O-CD 3.24Å; S368-K371 WeakPolarHBondContact O-CE 3.37Å; S368-K371 PolarHBondContact O-NZ 3.09Å; P369-K371 VanDerWaalsContact C-N 3.31Å; P369-K371 PolarHBondContact O-N 2.91Å; K371-V416 HydrophobicContact CB-CB 4.08Å; K371-V416 HydrophobicContact CB-CG1 4.48Å; K371-V416 HydrophobicContact CB-CG2 3.89Å
372	E	74.4	Confident	81.9	Confident	40 Å²	40	43 Å²	43	19%	0.187	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	156.5	180	-56.5	164.9	133.8	0	0	112	F366 D367 S370 R374	F366-E372 CarbonylContact C-O 3.56Å; F366-E372 WeakPolarHBondContact CA-O 3.48Å; D367-E372 PolarHBondContact N-O 3.23Å; S370-E372 VanDerWaalsContact CB-OE2 3.27Å; S370-E372 WeakPolarHBondContact CB-OE2 3.45Å; S370-E372 PolarHBondContact O-N 3.08Å; S370-E372 VanDerWaalsContact OG-CB 3.31Å; S370-E372 WeakPolarHBondContact OG-CB 3.35Å; S370-E372 VanDerWaalsContact OG-CG 3.3Å; S370-E372 WeakPolarHBondContact OG-CG 3.02Å; S370-E372 PolarHBondContact OG-N 2.93Å; S370-E372 PolarHBondContact OG-OE2 3.02Å; E372-R374 HydrophobicContact CB-CG 4.3Å; E372-R374 IonicContact OE2-CZ 3.09Å; E372-R374 IonicContact OE2-NE 2.75Å; E372-R374 PolarHBondContact OE2-NE 2.89Å; E372-R374 IonicContact OE2-NH2 2.83Å; E372-R374 PolarHBondContact OE2-NH2 2.88Å
373	C	84.3	Confident	81.7	Confident	13 Å²	13	39 Å²	39	9%	0.088	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	115.5	162.2	-68.3	0	0	0	0	109.4	W364 Y365 R391 C394 V395	W364-C373 HydrophobicContact CE3-CB 4.25Å; W364-C373 WeakPolarHBondContact CZ3-O 3.36Å; Y365-C373 CarbonylContact O-C 3.54Å; Y365-C373 WeakPolarHBondContact O-CA 3.13Å; C373-R391 HydrophobicContact CB-CG 4.25Å; C373-C394 VanDerWaalsContact CA-SG 3.59Å; C373-C394 HydrophobicContact CB-CB 3.66Å; C373-C394 WeakPolarHBondContact CB-SG 3.04Å; C373-C394 WeakPolarHBondContact SG-CB 3.36Å; C373-C394 CovalentContact SG-SG 2.03Å; C373-C394 PolarHBondContact SG-SG 2.85Å; C373-V395 HydrophobicContact CB-CG2 4.25Å; C373-V395 PolarHBondContact SG-N 3.41Å
374	R	88.1	Confident	81.6	Confident	99 Å²	99	39 Å²	39	37%	0.374	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	147.9	-180	-67.1	-174.1	173.5	-173.8	-5.4	110.4	W364 Y365 D367 S370 E372	W364-R374 CarbonylContact C-O 3.49Å; W364-R374 WeakPolarHBondContact CA-O 3.47Å; Y365-R374 HydrophobicContact CD1-CB 4.16Å; Y365-R374 VanDerWaalsContact CD1-O 3.27Å; Y365-R374 WeakPolarHBondContact CD1-O 3.46Å; Y365-R374 HydrophobicContact CE1-CB 3.58Å; Y365-R374 PolarHBondContact N-O 2.69Å; Y365-R374 PolarHBondContact O-N 2.82Å; D367-R374 HydrophobicContact CB-CG 4.17Å; S370-R374 PolarHBondContact OG-NE 3.06Å; S370-R374 PolarHBondContact OG-NH2 3.44Å; E372-R374 HydrophobicContact CB-CG 4.3Å; E372-R374 IonicContact OE2-CZ 3.09Å; E372-R374 IonicContact OE2-NE 2.75Å; E372-R374 PolarHBondContact OE2-NE 2.89Å; E372-R374 IonicContact OE2-NH2 2.83Å; E372-R374 PolarHBondContact OE2-NH2 2.88Å
375	A	89.7	Confident	81.5	Confident	65 Å²	65	35.5 Å²	35.5	54%	0.537	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	145.2	176.3	0	0	0	0	0	111	R363 W364	R363-A375 CarbonylContact O-C 3.52Å; R363-A375 VanDerWaalsContact O-CA 3.28Å; R363-A375 WeakPolarHBondContact O-CA 3Å; W364-A375 HydrophobicContact CD2-CB 4.41Å; W364-A375 HydrophobicContact CE3-CB 4.38Å; W364-A375 HydrophobicContact CH2-CB 4.34Å; W364-A375 HydrophobicContact CZ2-CB 4.36Å; W364-A375 HydrophobicContact CZ3-CB 4.36Å
376	F	89.6	Confident	81.5	Confident	22 Å²	22	34.6 Å²	34.6	10%	0.096	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	163.4	170.8	79.2	-72	0	0	0	110.6	P352 D353 R363 Y365 Y378 N387	P352-F376 HydrophobicContact CB-CB 4.04Å; P352-F376 HydrophobicContact CB-CD2 4.03Å; P352-F376 HydrophobicContact CB-CG 3.99Å; P352-F376 HydrophobicContact CG-CB 4.44Å; D353-F376 WeakPolarHBondContact O-CE2 3.01Å; R363-F376 HydrophobicContact CB-CD1 3.91Å; R363-F376 HydrophobicContact CB-CE1 3.42Å; R363-F376 VanDerWaalsContact CB-CE1 3.42Å; R363-F376 HydrophobicContact CB-CZ 3.83Å; R363-F376 PolarHBondContact N-O 3.18Å; R363-F376 WeakPolarHBondContact O-CD1 3.15Å; R363-F376 PolarHBondContact O-N 3.39Å; Y365-F376 HydrophobicContact CD1-CB 4.01Å; Y365-F376 AromaticContact CD1-CD1 3.78Å; Y365-F376 HydrophobicContact CD1-CD1 3.78Å; Y365-F376 HydrophobicContact CD1-CG 4.13Å; Y365-F376 HydrophobicContact CE1-CB 4.33Å; Y365-F376 HydrophobicContact CG-CD1 4.25Å; F376-Y378 HydrophobicContact CE2-CD2 4.25Å; F376-N387 HydrophobicContact CE1-CB 4.49Å; F376-N387 HydrophobicContact CZ-CB 4.04Å
377	Q	87.5	Confident	81.6	Confident	124 Å²	124	34.4 Å²	34.4	58%	0.579	18%	0.182	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	120.9	174.3	-68	-178.2	-3.3	0	0	109.6	S354 I360	S354-Q377 WeakPolarHBondContact CA-O 3.4Å; S354-Q377 VanDerWaalsContact CB-O 3.31Å; S354-Q377 WeakPolarHBondContact CB-O 3.45Å; S354-Q377 PolarHBondContact OG-O 2.66Å; I360-Q377 HydrophobicContact CG2-CB 4.47Å; I360-Q377 HydrophobicContact CG2-CG 4.26Å
378	Y	85.1	Confident	81.7	Confident	4 Å²	4	33.4 Å²	33.4	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132.9	174.8	-178.7	-117.9	0	0	0	110.8	M234 S354 E361 R363 F376 G380 G382 N387	M234-Y378 WeakPolarHBondContact CE-OH 3.32Å; S354-Y378 WeakPolarHBondContact O-CD2 3.08Å; E361-Y378 PolarHBondContact N-O 3.33Å; E361-Y378 VanDerWaalsContact N-O 3.08Å; E361-Y378 PolarHBondContact O-N 3.13Å; R363-Y378 HydrophobicContact CG-CD1 4.49Å; R363-Y378 HydrophobicContact CG-CG 4.31Å; F376-Y378 HydrophobicContact CE2-CD2 4.25Å; Y378-G380 VanDerWaalsContact CE1-CA 3.48Å; Y378-G380 PolarHBondContact OH-O 3.36Å; Y378-G382 PolarHBondContact OH-O 3.41Å; Y378-N387 WeakPolarHBondContact CD2-ND2 3.17Å
379	K	79.6	Confident	81.9	Confident	96 Å²	96	35.4 Å²	35.4	42%	0.417	19%	0.186	S	C	.	.			trans	-91	-1	-170.6	-65	-169.6	-177.5	178.5	0	116	S354 S356 G357 L359	S354-K379 WeakPolarHBondContact O-CB 2.95Å; S354-K379 PolarHBondContact O-N 2.87Å; S356-K379 CarbonylContact O-C 3.56Å; S356-K379 VanDerWaalsContact O-CB 3.27Å; S356-K379 WeakPolarHBondContact O-CB 3.34Å; G357-K379 CarbonylContact C-O 3.36Å; G357-K379 VanDerWaalsContact CA-O 3.3Å; G357-K379 WeakPolarHBondContact CA-O 3.33Å; L359-K379 WeakPolarHBondContact CB-O 3.04Å; L359-K379 PolarHBondContact N-O 3.34Å; L359-K379 VanDerWaalsContact O-CA 3.24Å; L359-K379 WeakPolarHBondContact O-CA 3.09Å
380	G	71	Confident	82.4	Confident	12 Å²	12	33.4 Å²	33.4	12%	0.124	17%	0.172	C	C	.	.	S	Bend	trans	100.2	-27.9	173	0	0	0	0	0	115.4	Y378	Y378-G380 VanDerWaalsContact CE1-CA 3.48Å; Y378-G380 PolarHBondContact OH-O 3.36Å
381	F	76	Confident	82.9	Confident	21 Å²	21	36.4 Å²	36.4	9%	0.092	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-122.1	163.3	175.8	-50.4	-79.2	0	0	0	112.3	P192 V194 L195 P196 Y215 G355 S356	P192-F381 WeakPolarHBondContact O-CE1 3.48Å; P192-F381 WeakPolarHBondContact O-CZ 3.36Å; V194-F381 WeakPolarHBondContact O-CE1 2.99Å; V194-F381 WeakPolarHBondContact O-CZ 3.37Å; L195-F381 HydrophobicContact CD1-CB 3.74Å; L195-F381 HydrophobicContact CD1-CG 4.39Å; P196-F381 VanDerWaalsContact CD-CE2 3.49Å; P196-F381 VanDerWaalsContact CD-CG 3.48Å; P196-F381 HydrophobicContact CG-CD2 3.59Å; P196-F381 HydrophobicContact CG-CE2 3.41Å; P196-F381 VanDerWaalsContact CG-CE2 3.41Å; P196-F381 HydrophobicContact CG-CG 4.26Å; P196-F381 HydrophobicContact CG-CZ 3.91Å; Y215-F381 WeakPolarHBondContact OH-CA 3.32Å; G355-F381 CarbonylContact C-O 3.54Å; G355-F381 WeakPolarHBondContact CA-O 3.32Å; S356-F381 PolarHBondContact N-O 3.45Å; S356-F381 WeakPolarHBondContact O-CA 3.47Å; S356-F381 WeakPolarHBondContact O-CB 3.24Å; S356-F381 WeakPolarHBondContact O-CD2 3.43Å; S356-F381 PolarHBondContact O-N 3.05Å
382	G	78.6	Confident	83.1	Confident	2 Å²	2	38.5 Å²	38.5	2%	0.021	19%	0.192	C	C	.	.	S	Bend	trans	57.3	-142	-174.6	0	0	0	0	0	112.4	Y215 M234 Y378	Y215-G382 PolarHBondContact OH-N 2.03Å; M234-G382 WeakPolarHBondContact CE-O 3.27Å; Y378-G382 PolarHBondContact OH-O 3.41Å
383	G	80	Confident	83.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.188	C	C	.	.			trans	91.8	-154.8	-177.2	0	0	0	0	0	112.7	L214 R345 D353	L214-G383 VanDerWaalsContact CD1-O 3.3Å; L214-G383 WeakPolarHBondContact CD1-O 3.26Å; R345-G383 WeakPolarHBondContact CD-O 3.36Å; D353-G383 VanDerWaalsContact CG-CA 3.44Å; D353-G383 VanDerWaalsContact OD2-C 3.27Å; D353-G383 WeakPolarHBondContact OD2-CA 3.45Å; D353-G383 PolarHBondContact OD2-N 3.12Å
384	N	86.1	Confident	83.4	Confident	3 Å²	3	37 Å²	37	2%	0.016	18%	0.184	C	C	.	.			trans	-148.6	-177.8	172.8	70.1	42.8	0	0	0	110.2	G343 R345 L350 N386 N387	G343-N384 WeakPolarHBondContact O-CB 3.39Å; R345-N384 HydrophobicContact CG-CB 3.91Å; L350-N384 PolarHBondContact O-ND2 2.03Å; N384-N386 VanDerWaalsContact C-N 3.32Å; N384-N386 PolarHBondContact O-N 2.9Å; N384-N386 VanDerWaalsContact OD1-CA 3.3Å; N384-N386 WeakPolarHBondContact OD1-CA 3.29Å; N384-N386 WeakPolarHBondContact OD1-CB 3.35Å; N384-N386 PolarHBondContact OD1-N 3.04Å; N384-N387 WeakPolarHBondContact O-CB 3.3Å
385	F	89.2	Confident	82.8	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.009	17%	0.173	C	C	.	.	S	Bend	trans	-81.2	-6.1	-176.8	-59.2	-71	0	0	0	114.4	L214 A233 I237 R295 G296 I338 G343 N387	L214-F385 HydrophobicContact CD2-CE1 4.13Å; L214-F385 HydrophobicContact CD2-CE2 3.82Å; L214-F385 HydrophobicContact CD2-CZ 3.56Å; A233-F385 HydrophobicContact CB-CE1 4.15Å; A233-F385 HydrophobicContact CB-CZ 4.23Å; I237-F385 HydrophobicContact CD1-CD1 3.75Å; I237-F385 HydrophobicContact CD1-CE1 4.37Å; I237-F385 HydrophobicContact CG1-CD1 4.37Å; R295-F385 HydrophobicContact CG-CB 4.29Å; R295-F385 PolarHBondContact NH1-O 3.44Å; G296-F385 VanDerWaalsContact CA-CD1 3.5Å; I338-F385 HydrophobicContact CG1-CB 4.11Å; I338-F385 HydrophobicContact CG2-CB 4.18Å; I338-F385 WeakPolarHBondContact CG2-O 3.44Å; G343-F385 WeakPolarHBondContact O-CA 3.35Å; G343-F385 WeakPolarHBondContact O-CB 3.47Å; G343-F385 PolarHBondContact O-N 2.83Å; F385-N387 PolarHBondContact O-N 2.93Å
386	N	88.7	Confident	82.1	Confident	1 Å²	1	32 Å²	32	1%	0.005	16%	0.161	C	C	.	.			trans	-78.2	49.8	170.2	-160	6.3	0	0	0	110.8	I338 S351 Y365 F366 N384 F388	I338-N386 VanDerWaalsContact O-CB 3.29Å; I338-N386 WeakPolarHBondContact O-CB 3.35Å; S351-N386 PolarHBondContact OG-ND2 3.12Å; Y365-N386 WeakPolarHBondContact CA-O 3.48Å; Y365-N386 WeakPolarHBondContact CB-O 3.29Å; F366-N386 PolarHBondContact N-OD1 3.3Å; F366-N386 PolarHBondContact O-ND2 2.9Å; N384-N386 VanDerWaalsContact C-N 3.32Å; N384-N386 PolarHBondContact O-N 2.9Å; N384-N386 VanDerWaalsContact OD1-CA 3.3Å; N384-N386 WeakPolarHBondContact OD1-CA 3.29Å; N384-N386 WeakPolarHBondContact OD1-CB 3.35Å; N384-N386 PolarHBondContact OD1-N 3.04Å; N386-F388 WeakPolarHBondContact OD1-CE2 3.45Å
387	N	88.8	Confident	81.4	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.011	17%	0.166	C	C	.	.			trans	-137.4	101.4	-171.9	-179.9	-18.4	0	0	0	109.6	R295 R363 F376 Y378 N384 F385	R295-N387 PolarHBondContact NH1-O 3.32Å; R295-N387 PolarHBondContact NH2-O 3.12Å; R363-N387 WeakPolarHBondContact CB-OD1 3.3Å; R363-N387 WeakPolarHBondContact CD-OD1 3.08Å; R363-N387 VanDerWaalsContact CG-OD1 3.27Å; R363-N387 WeakPolarHBondContact CG-OD1 3.48Å; R363-N387 PolarHBondContact NH1-OD1 3.06Å; F376-N387 HydrophobicContact CE1-CB 4.49Å; F376-N387 HydrophobicContact CZ-CB 4.04Å; Y378-N387 WeakPolarHBondContact CD2-ND2 3.17Å; N384-N387 WeakPolarHBondContact O-CB 3.3Å; F385-N387 PolarHBondContact O-N 2.93Å
388	F	86.8	Confident	81	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-110.4	148.4	-174.6	-56.6	-82.1	0	0	0	110.7	V258 I338 W364 N386 D393 C394 F397	V258-F388 HydrophobicContact CG2-CD1 4.25Å; I338-F388 HydrophobicContact CG2-CZ 4.31Å; W364-F388 HydrophobicContact CB-CB 4.27Å; W364-F388 PolarHBondContact N-O 2.69Å; W364-F388 WeakPolarHBondContact O-CD2 3.33Å; W364-F388 PolarHBondContact O-N 2.87Å; N386-F388 WeakPolarHBondContact OD1-CE2 3.45Å; F388-D393 HydrophobicContact CB-CB 4.07Å; F388-D393 HydrophobicContact CD1-CB 4.36Å; F388-C394 HydrophobicContact CB-CB 3.79Å; F388-C394 HydrophobicContact CD1-CB 4.44Å; F388-C394 HydrophobicContact CD2-CB 3.44Å; F388-C394 VanDerWaalsContact CD2-CB 3.44Å; F388-C394 HydrophobicContact CE2-CB 4.14Å; F388-C394 HydrophobicContact CG-CB 3.63Å; F388-F397 HydrophobicContact CD1-CB 4.31Å; F388-F397 HydrophobicContact CE1-CB 3.46Å; F388-F397 VanDerWaalsContact CE1-CB 3.46Å; F388-F397 AromaticContact CE1-CD1 3.85Å; F388-F397 HydrophobicContact CE1-CD1 3.85Å; F388-F397 HydrophobicContact CE1-CD2 4.34Å; F388-F397 AromaticContact CE1-CG 3.61Å; F388-F397 HydrophobicContact CE1-CG 3.61Å; F388-F397 HydrophobicContact CZ-CB 3.89Å; F388-F397 AromaticContact CZ-CD1 3.7Å; F388-F397 HydrophobicContact CZ-CD1 3.7Å; F388-F397 AromaticContact CZ-CG 3.95Å; F388-F397 HydrophobicContact CZ-CG 3.95Å
389	L	80.1	Confident	80.3	Confident	60 Å²	60	28.2 Å²	28.2	31%	0.314	15%	0.145	S	C	.	.	S	Bend	trans	-74.7	-44.2	-178.5	-175.7	62.3	0	0	0	111.2	W254	W254-L389 HydrophobicContact CH2-CD2 3.87Å; W254-L389 HydrophobicContact CZ3-CD2 4.36Å
390	T	82.6	Confident	79.4	Confident	50 Å²	50	30.1 Å²	30.1	31%	0.307	16%	0.155	S	C	.	.	S	Bend	trans	-116.4	165.7	177.5	69.2	0	0	0	0	112.4	E392 D393 C394	T390-E392 VanDerWaalsContact C-N 3.27Å; T390-D393 WeakPolarHBondContact CB-OD2 3.48Å; T390-D393 PolarHBondContact N-OD2 3.44Å; T390-D393 VanDerWaalsContact N-OD2 3.08Å; T390-D393 WeakPolarHBondContact OG1-CB 2.96Å; T390-D393 PolarHBondContact OG1-N 3.48Å; T390-D393 PolarHBondContact OG1-OD2 3.07Å; T390-C394 PolarHBondContact O-N 3.08Å
391	R	83.1	Confident	78.9	Confident	80 Å²	80	33.4 Å²	33.4	30%	0.302	17%	0.17	S	C	.	.	H	α-helix	trans	-64.6	-40.4	172.2	-179.3	-179.3	167.5	-80.6	-7.7	109.9	W364 C373 D393 C394 V395 E407	W364-R391 HydrophobicContact CD2-CB 3.66Å; W364-R391 HydrophobicContact CD2-CG 4.26Å; W364-R391 HydrophobicContact CE3-CB 3.79Å; W364-R391 HydrophobicContact CE3-CG 3.85Å; W364-R391 HydrophobicContact CG-CB 4.29Å; W364-R391 HydrophobicContact CH2-CB 3.96Å; W364-R391 HydrophobicContact CH2-CG 4.13Å; W364-R391 HydrophobicContact CZ2-CB 3.84Å; W364-R391 HydrophobicContact CZ3-CB 3.93Å; W364-R391 HydrophobicContact CZ3-CG 3.78Å; C373-R391 HydrophobicContact CB-CG 4.25Å; R391-D393 VanDerWaalsContact C-N 3.31Å; R391-D393 PolarHBondContact O-N 2.96Å; R391-C394 WeakPolarHBondContact O-CB 3.34Å; R391-C394 PolarHBondContact O-N 2.81Å; R391-V395 HydrophobicContact CG-CG2 4.31Å; R391-V395 VanDerWaalsContact O-CG2 3.3Å; R391-V395 WeakPolarHBondContact O-CG2 3.42Å; R391-V395 PolarHBondContact O-N 2.81Å; R391-E407 IonicContact NH2-OE1 2.75Å
392	E	76.8	Confident	78.6	Confident	113 Å²	113	33.2 Å²	33.2	53%	0.528	17%	0.171	S	C	.	.	H	α-helix	trans	-62.2	-40.2	-178.4	-67.1	56.8	-125	0	0	110.3	T390 V395 A396	T390-E392 VanDerWaalsContact C-N 3.27Å; E392-V395 PolarHBondContact O-N 3.42Å; E392-A396 VanDerWaalsContact O-CB 3.24Å; E392-A396 WeakPolarHBondContact O-CB 2.96Å; E392-A396 PolarHBondContact O-N 3.03Å
393	D	78.7	Confident	78.5	Confident	22 Å²	22	33.5 Å²	33.5	12%	0.118	17%	0.172	C	C	.	.	H	α-helix	trans	-61.2	-46.7	173.3	-72.4	-37.9	0	0	0	112.6	V258 F388 T390 R391 A396 F397	V258-D393 HydrophobicContact CB-CB 4.26Å; V258-D393 WeakPolarHBondContact CB-OD1 3.37Å; V258-D393 HydrophobicContact CG1-CB 4.21Å; V258-D393 WeakPolarHBondContact CG1-OD1 3Å; V258-D393 HydrophobicContact CG2-CB 3.51Å; F388-D393 HydrophobicContact CB-CB 4.07Å; F388-D393 HydrophobicContact CD1-CB 4.36Å; T390-D393 WeakPolarHBondContact CB-OD2 3.48Å; T390-D393 PolarHBondContact N-OD2 3.44Å; T390-D393 VanDerWaalsContact N-OD2 3.08Å; T390-D393 WeakPolarHBondContact OG1-CB 2.96Å; T390-D393 PolarHBondContact OG1-N 3.48Å; T390-D393 PolarHBondContact OG1-OD2 3.07Å; R391-D393 VanDerWaalsContact C-N 3.31Å; R391-D393 PolarHBondContact O-N 2.96Å; D393-A396 PolarHBondContact O-N 2.76Å; D393-F397 WeakPolarHBondContact O-CB 3.02Å; D393-F397 PolarHBondContact O-N 2.88Å
394	C	84.5	Confident	78.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.8	-41.6	176.4	173.3	0	0	0	0	111.5	W364 C373 F388 T390 R391 F397 C398	W364-C394 HydrophobicContact CB-CB 4.11Å; C373-C394 VanDerWaalsContact CA-SG 3.59Å; C373-C394 HydrophobicContact CB-CB 3.66Å; C373-C394 WeakPolarHBondContact CB-SG 3.04Å; C373-C394 WeakPolarHBondContact SG-CB 3.36Å; C373-C394 CovalentContact SG-SG 2.03Å; C373-C394 PolarHBondContact SG-SG 2.85Å; F388-C394 HydrophobicContact CB-CB 3.79Å; F388-C394 HydrophobicContact CD1-CB 4.44Å; F388-C394 HydrophobicContact CD2-CB 3.44Å; F388-C394 VanDerWaalsContact CD2-CB 3.44Å; F388-C394 HydrophobicContact CE2-CB 4.14Å; F388-C394 HydrophobicContact CG-CB 3.63Å; T390-C394 PolarHBondContact O-N 3.08Å; R391-C394 WeakPolarHBondContact O-CB 3.34Å; R391-C394 PolarHBondContact O-N 2.81Å; C394-F397 PolarHBondContact O-N 3.18Å; C394-C398 WeakPolarHBondContact O-CB 3.29Å; C394-C398 PolarHBondContact O-N 3.35Å
395	V	77.5	Confident	78	Confident	24 Å²	24	39.7 Å²	39.7	15%	0.145	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-45.6	177.2	169.7	0	0	0	0	110.2	C373 R391 E392 F397 V399 Q400	C373-V395 HydrophobicContact CB-CG2 4.25Å; C373-V395 PolarHBondContact SG-N 3.41Å; R391-V395 HydrophobicContact CG-CG2 4.31Å; R391-V395 VanDerWaalsContact O-CG2 3.3Å; R391-V395 WeakPolarHBondContact O-CG2 3.42Å; R391-V395 PolarHBondContact O-N 2.81Å; E392-V395 PolarHBondContact O-N 3.42Å; V395-F397 VanDerWaalsContact C-N 3.35Å; V395-F397 PolarHBondContact O-N 3.25Å; V395-V399 HydrophobicContact CB-CB 4.35Å; V395-V399 HydrophobicContact CB-CG2 4.32Å; V395-V399 HydrophobicContact CG1-CB 4Å; V395-V399 HydrophobicContact CG1-CG1 4.39Å; V395-V399 HydrophobicContact CG1-CG2 4.4Å; V395-V399 HydrophobicContact CG2-CG2 4.15Å; V395-V399 WeakPolarHBondContact O-CA 3.35Å; V395-V399 VanDerWaalsContact O-CB 3.31Å; V395-V399 WeakPolarHBondContact O-CB 3.5Å; V395-V399 PolarHBondContact O-N 3.47Å; V395-Q400 PolarHBondContact O-N 3.14Å; V395-Q400 VanDerWaalsContact O-N 3.07Å
396	A	73.1	Confident	77.3	Confident	34 Å²	34	41 Å²	41	28%	0.281	22%	0.217	S	C	.	.	H	α-helix	trans	-61	-40.8	177.1	0	0	0	0	0	112.5	V258 E392 D393 Q400	V258-A396 HydrophobicContact CG1-CB 4.18Å; E392-A396 VanDerWaalsContact O-CB 3.24Å; E392-A396 WeakPolarHBondContact O-CB 2.96Å; E392-A396 PolarHBondContact O-N 3.03Å; D393-A396 PolarHBondContact O-N 2.76Å; A396-Q400 WeakPolarHBondContact O-CB 3.44Å; A396-Q400 PolarHBondContact O-OE1 3.07Å
397	F	76.7	Confident	76.6	Confident	45 Å²	45	44.4 Å²	44.4	20%	0.197	23%	0.234	C	C	.	.	H	α-helix	trans	-82.7	-44.7	-177.4	-164.4	-83.4	0	0	0	113.4	R295 I338 F388 D393 C394 V395 N401	R295-F397 HydrophobicContact CB-CE2 3.94Å; R295-F397 HydrophobicContact CB-CZ 4.04Å; R295-F397 HydrophobicContact CG-CE2 4.47Å; R295-F397 HydrophobicContact CG-CZ 4.31Å; I338-F397 HydrophobicContact CB-CE1 3.89Å; I338-F397 HydrophobicContact CD1-CE1 3.73Å; I338-F397 HydrophobicContact CD1-CZ 3.53Å; I338-F397 HydrophobicContact CG1-CE1 4.45Å; I338-F397 HydrophobicContact CG2-CD1 4.34Å; I338-F397 HydrophobicContact CG2-CE1 3.8Å; F388-F397 HydrophobicContact CD1-CB 4.31Å; F388-F397 HydrophobicContact CE1-CB 3.46Å; F388-F397 VanDerWaalsContact CE1-CB 3.46Å; F388-F397 AromaticContact CE1-CD1 3.85Å; F388-F397 HydrophobicContact CE1-CD1 3.85Å; F388-F397 HydrophobicContact CE1-CD2 4.34Å; F388-F397 AromaticContact CE1-CG 3.61Å; F388-F397 HydrophobicContact CE1-CG 3.61Å; F388-F397 HydrophobicContact CZ-CB 3.89Å; F388-F397 AromaticContact CZ-CD1 3.7Å; F388-F397 HydrophobicContact CZ-CD1 3.7Å; F388-F397 AromaticContact CZ-CG 3.95Å; F388-F397 HydrophobicContact CZ-CG 3.95Å; D393-F397 WeakPolarHBondContact O-CB 3.02Å; D393-F397 PolarHBondContact O-N 2.88Å; C394-F397 PolarHBondContact O-N 3.18Å; V395-F397 VanDerWaalsContact C-N 3.35Å; V395-F397 PolarHBondContact O-N 3.25Å; F397-N401 PolarHBondContact O-ND2 3.35Å
398	C	79.2	Confident	76.2	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.02	24%	0.236	C	C	.	.	H	α-helix	trans	-102.9	-37.9	-171.8	-68.5	0	0	0	0	114.6	C339 F366 C394	C339-C398 HydrophobicContact CB-CB 3.7Å; C339-C398 WeakPolarHBondContact CB-SG 3.47Å; C339-C398 WeakPolarHBondContact SG-CA 3.39Å; C339-C398 WeakPolarHBondContact SG-CB 3.31Å; C339-C398 CovalentContact SG-SG 2.03Å; C339-C398 PolarHBondContact SG-SG 2.85Å; F366-C398 HydrophobicContact CB-CB 3.59Å; F366-C398 VanDerWaalsContact CB-SG 3.53Å; F366-C398 HydrophobicContact CD1-CB 4.13Å; F366-C398 HydrophobicContact CD2-CB 3.39Å; F366-C398 HydrophobicContact CE2-CB 4Å; F366-C398 HydrophobicContact CG-CB 3.43Å; F366-C398 VanDerWaalsContact CG-CB 3.43Å; C394-C398 WeakPolarHBondContact O-CB 3.29Å; C394-C398 PolarHBondContact O-N 3.35Å
399	V	68.7	Low	75.8	Confident	22 Å²	22	45 Å²	45	13%	0.133	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-82.5	-32.3	-175.4	-178.6	0	0	0	0	112.1	F366 V395 N401 V402	F366-V399 HydrophobicContact CD2-CG2 4.04Å; F366-V399 HydrophobicContact CE2-CG2 3.81Å; V395-V399 HydrophobicContact CB-CB 4.35Å; V395-V399 HydrophobicContact CB-CG2 4.32Å; V395-V399 HydrophobicContact CG1-CB 4Å; V395-V399 HydrophobicContact CG1-CG1 4.39Å; V395-V399 HydrophobicContact CG1-CG2 4.4Å; V395-V399 HydrophobicContact CG2-CG2 4.15Å; V395-V399 WeakPolarHBondContact O-CA 3.35Å; V395-V399 VanDerWaalsContact O-CB 3.31Å; V395-V399 WeakPolarHBondContact O-CB 3.5Å; V395-V399 PolarHBondContact O-N 3.47Å; V399-N401 PolarHBondContact O-N 3.21Å; V399-V402 WeakPolarHBondContact O-CB 3.17Å; V399-V402 PolarHBondContact O-N 2.67Å
400	Q	62.4	Low	75.5	Confident	137 Å²	137	45.5 Å²	45.5	64%	0.64	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-59.6	-9.9	174.1	-72.7	-169.7	0.7	0	0	114.4	V395 A396	V395-Q400 PolarHBondContact O-N 3.14Å; V395-Q400 VanDerWaalsContact O-N 3.07Å; A396-Q400 WeakPolarHBondContact O-CB 3.44Å; A396-Q400 PolarHBondContact O-OE1 3.07Å
401	N	60.5	Low	74.9	Confident	80 Å²	80	45.4 Å²	45.4	43%	0.428	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-90.6	2.8	174.2	-72.4	-63.1	0	0	0	114	T336 F397 V399 R433	T336-N401 HydrophobicContact CG2-CB 3.66Å; F397-N401 PolarHBondContact O-ND2 3.35Å; V399-N401 PolarHBondContact O-N 3.21Å; N401-R433 PolarHBondContact O-NH1 2.88Å
402	V	68.4	Low	74.1	Confident	18 Å²	18	46.2 Å²	46.2	11%	0.109	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-52.7	178.7	-176.3	0	0	0	0	111.6	V399 A408 V435	V399-V402 WeakPolarHBondContact O-CB 3.17Å; V399-V402 PolarHBondContact O-N 2.67Å; V402-A408 HydrophobicContact CG1-CB 4.49Å; V402-V435 HydrophobicContact CG1-CB 3.63Å; V402-V435 HydrophobicContact CG1-CG1 3.6Å; V402-V435 HydrophobicContact CG1-CG2 3.73Å
403	C	76.4	Confident	73.5	Confident	8 Å²	8	47 Å²	47	5%	0.054	25%	0.253	C	S	.	.			trans	-112.2	143.1	-177.8	-60.9	0	0	0	0	111.7	Q405 C437	C403-Q405 VanDerWaalsContact C-N 3.26Å; C403-Q405 PolarHBondContact O-N 3.21Å; C403-C437 WeakPolarHBondContact CA-SG 3.23Å; C403-C437 HydrophobicContact CB-CB 3.59Å; C403-C437 WeakPolarHBondContact CB-SG 3.49Å; C403-C437 WeakPolarHBondContact SG-CA 3.29Å; C403-C437 WeakPolarHBondContact SG-CB 3.41Å; C403-C437 CovalentContact SG-SG 2.03Å; C403-C437 PolarHBondContact SG-SG 3.35Å
404	D	75.4	Confident	72.7	Confident	86 Å²	86	47.2 Å²	47.2	46%	0.46	26%	0.26	S	S	.	.	S	Bend	trans	-66.4	-30.4	-179	-61.9	-42.6	0	0	0	112.2	F493	D404-F493 HydrophobicContact CB-CE2 4.21Å
405	Q	79.9	Confident	71.8	Confident	46 Å²	46	49.9 Å²	49.9	22%	0.215	27%	0.274	C	S	.	.	S	Bend	trans	-151.8	157.3	165.1	-73.1	-58.2	-64.3	0	0	110.2	C403 F484 F493	C403-Q405 VanDerWaalsContact C-N 3.26Å; C403-Q405 PolarHBondContact O-N 3.21Å; Q405-F484 HydrophobicContact CG-CD1 4.26Å; Q405-F484 HydrophobicContact CG-CE1 3.61Å; Q405-F484 HydrophobicContact CG-CZ 4.35Å; Q405-F493 HydrophobicContact CB-CD2 4.25Å; Q405-F493 HydrophobicContact CB-CE1 4.41Å; Q405-F493 HydrophobicContact CB-CE2 3.8Å; Q405-F493 HydrophobicContact CB-CZ 3.9Å; Q405-F493 HydrophobicContact CG-CD1 4.36Å; Q405-F493 HydrophobicContact CG-CD2 3.67Å; Q405-F493 HydrophobicContact CG-CE1 4.45Å; Q405-F493 HydrophobicContact CG-CE2 3.76Å; Q405-F493 HydrophobicContact CG-CG 3.99Å; Q405-F493 HydrophobicContact CG-CZ 4.17Å
406	G	75.7	Confident	71.5	Confident	29 Å²	29	49.6 Å²	49.6	30%	0.299	27%	0.272	S	S	.	.	S	Bend	trans	75.7	167.3	177	0	0	0	0	0	115.5	D481	G406-D481 WeakPolarHBondContact CA-OD1 3.4Å
407	E	74.4	Confident	71.7	Confident	74 Å²	74	49.5 Å²	49.5	35%	0.346	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-75.8	142	173.1	-75.4	-157.2	171.3	0	0	111.4	R391 K410 P438 D481	R391-E407 IonicContact NH2-OE1 2.75Å; E407-K410 IonicContact OE2-NZ 3.14Å; E407-K410 PolarHBondContact OE2-NZ 3.31Å; E407-P438 WeakPolarHBondContact O-CD 3.25Å; E407-P438 VanDerWaalsContact O-CG 3.31Å; E407-P438 WeakPolarHBondContact O-CG 3.45Å; E407-D481 PolarHBondContact N-OD1 2.85Å
408	A	79	Confident	71.8	Confident	8 Å²	8	53.8 Å²	53.8	7%	0.066	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-60	145	171.6	0	0	0	0	0	111.6	V402 V416 V435	V402-A408 HydrophobicContact CG1-CB 4.49Å; A408-V416 HydrophobicContact CB-CG1 3.82Å; A408-V416 HydrophobicContact CB-CG2 4.4Å; A408-V435 HydrophobicContact CB-CG1 3.5Å
409	L	79	Confident	72.1	Confident	6 Å²	6	53.9 Å²	53.9	3%	0.031	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-62.5	141.2	179.1	-175.8	56.4	0	0	0	111.2	V416 Q417 P426 Y429 C436 C561	L409-V416 CarbonylContact O-C 3.54Å; L409-V416 WeakPolarHBondContact O-CA 3.28Å; L409-Q417 HydrophobicContact CB-CB 4.3Å; L409-Q417 HydrophobicContact CD2-CB 4.42Å; L409-Q417 HydrophobicContact CG-CB 4.24Å; L409-Q417 PolarHBondContact O-N 3.3Å; L409-P426 HydrophobicContact CD2-CG 3.61Å; L409-Y429 HydrophobicContact CB-CD1 3.72Å; L409-Y429 HydrophobicContact CB-CE1 3.55Å; L409-Y429 HydrophobicContact CB-CG 4.34Å; L409-Y429 HydrophobicContact CD1-CE1 4.07Å; L409-Y429 HydrophobicContact CD1-CE2 3.89Å; L409-Y429 HydrophobicContact CD2-CD1 4.36Å; L409-Y429 HydrophobicContact CD2-CD2 4Å; L409-Y429 HydrophobicContact CD2-CE1 4.49Å; L409-Y429 HydrophobicContact CD2-CE2 4.11Å; L409-Y429 HydrophobicContact CD2-CG 4.16Å; L409-Y429 HydrophobicContact CG-CD1 4.48Å; L409-Y429 HydrophobicContact CG-CE1 4.23Å; L409-Y429 HydrophobicContact CG-CE2 4.41Å; L409-C436 HydrophobicContact CB-CB 3.85Å; L409-C436 HydrophobicContact CD2-CB 4.23Å; L409-C436 PolarHBondContact N-O 3.45Å; L409-C561 HydrophobicContact CD1-CB 3.64Å; L409-C561 WeakPolarHBondContact CD1-O 3.46Å; L409-C561 HydrophobicContact CD2-CB 3.88Å; L409-C561 HydrophobicContact CG-CB 4.38Å
410	K	73.7	Confident	72.6	Confident	71 Å²	71	56.8 Å²	56.8	31%	0.309	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-112	142.3	176.6	-63.6	172.9	-168.7	136.7	0	111	E407 G414 N415	E407-K410 IonicContact OE2-NZ 3.14Å; E407-K410 PolarHBondContact OE2-NZ 3.31Å; K410-G414 WeakPolarHBondContact CB-O 3.42Å; K410-G414 WeakPolarHBondContact CD-O 3.48Å; K410-G414 VanDerWaalsContact CG-O 3.29Å; K410-G414 WeakPolarHBondContact CG-O 3.26Å; K410-N415 CarbonylContact C-O 3.55Å; K410-N415 VanDerWaalsContact CA-O 3.22Å; K410-N415 WeakPolarHBondContact CA-O 3.42Å
411	D	70.7	Confident	72.8	Confident	47 Å²	47	54.1 Å²	54.1	25%	0.251	32%	0.318	S	S	.	.			trans	-72.3	-179.9	171	77.8	0.4	0	0	0	111.4	N413 G414 N415	D411-N413 PolarHBondContact O-N 2.94Å; D411-N413 VanDerWaalsContact O-N 3.17Å; D411-N413 VanDerWaalsContact OD1-C 3.32Å; D411-N413 VanDerWaalsContact OD1-CA 3.28Å; D411-N413 WeakPolarHBondContact OD1-CA 3.33Å; D411-N413 WeakPolarHBondContact OD1-CB 3.42Å; D411-N413 PolarHBondContact OD1-N 3.08Å; D411-N413 PolarHBondContact OD2-ND2 2.82Å; D411-G414 PolarHBondContact O-N 2.89Å; D411-G414 VanDerWaalsContact O-N 3.12Å; D411-G414 PolarHBondContact OD1-N 2.72Å; D411-N415 PolarHBondContact N-O 2.83Å; D411-N415 PolarHBondContact OD1-N 3.5Å; D411-N415 PolarHBondContact OD2-ND2 2.93Å
412	L	65.6	Low	73	Confident	97 Å²	97	53.4 Å²	53.4	51%	0.508	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.1	178.7	-66.6	171.7	0	0	0	113.9	A560 G562 P564	L412-A560 HydrophobicContact CD1-CB 4.45Å; L412-A560 HydrophobicContact CG-CB 4.2Å; L412-G562 WeakPolarHBondContact CD2-O 3.48Å; L412-P564 HydrophobicContact CD2-CG 4.26Å
413	N	65	Low	72.9	Confident	131 Å²	131	62.6 Å²	62.6	70%	0.701	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-2.5	179.4	-50.1	-57.5	0	0	0	112.2	D411 N415	D411-N413 PolarHBondContact O-N 2.94Å; D411-N413 VanDerWaalsContact O-N 3.17Å; D411-N413 VanDerWaalsContact OD1-C 3.32Å; D411-N413 VanDerWaalsContact OD1-CA 3.28Å; D411-N413 WeakPolarHBondContact OD1-CA 3.33Å; D411-N413 WeakPolarHBondContact OD1-CB 3.42Å; D411-N413 PolarHBondContact OD1-N 3.08Å; D411-N413 PolarHBondContact OD2-ND2 2.82Å; N413-N415 WeakPolarHBondContact CB-ND2 3.22Å
414	G	61.2	Low	72.9	Confident	26 Å²	26	64.5 Å²	64.5	27%	0.268	38%	0.383	S	S	.	.	S	Bend	trans	93.4	-12.6	-176.9	0	0	0	0	0	115.1	K410 D411	K410-G414 WeakPolarHBondContact CB-O 3.42Å; K410-G414 WeakPolarHBondContact CD-O 3.48Å; K410-G414 VanDerWaalsContact CG-O 3.29Å; K410-G414 WeakPolarHBondContact CG-O 3.26Å; D411-G414 PolarHBondContact O-N 2.89Å; D411-G414 VanDerWaalsContact O-N 3.12Å; D411-G414 PolarHBondContact OD1-N 2.72Å
415	N	65.4	Low	73.4	Confident	56 Å²	56	61.8 Å²	61.8	30%	0.299	37%	0.371	S	S	.	.			trans	-70.4	149.7	-176.8	-52.6	-72.9	0	0	0	111.1	K410 D411 N413 Q417	K410-N415 CarbonylContact C-O 3.55Å; K410-N415 VanDerWaalsContact CA-O 3.22Å; K410-N415 WeakPolarHBondContact CA-O 3.42Å; D411-N415 PolarHBondContact N-O 2.83Å; D411-N415 PolarHBondContact OD1-N 3.5Å; D411-N415 PolarHBondContact OD2-ND2 2.93Å; N413-N415 WeakPolarHBondContact CB-ND2 3.22Å; N415-Q417 PolarHBondContact O-N 3.36Å
416	V	71.2	Confident	73.6	Confident	17 Å²	17	59.6 Å²	59.6	10%	0.103	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-64.2	121.4	175.3	175	0	0	0	0	111.3	K371 A408 L409 Q418 V435	K371-V416 HydrophobicContact CB-CB 4.08Å; K371-V416 HydrophobicContact CB-CG1 4.48Å; K371-V416 HydrophobicContact CB-CG2 3.89Å; A408-V416 HydrophobicContact CB-CG1 3.82Å; A408-V416 HydrophobicContact CB-CG2 4.4Å; L409-V416 CarbonylContact O-C 3.54Å; L409-V416 WeakPolarHBondContact O-CA 3.28Å; V416-Q418 PolarHBondContact O-N 3.29Å; V416-V435 HydrophobicContact CG1-CB 4.21Å; V416-V435 HydrophobicContact CG1-CG1 3.33Å; V416-V435 HydrophobicContact CG1-CG2 3.83Å
417	Q	77.1	Confident	73.8	Confident	33 Å²	33	61.9 Å²	61.9	15%	0.154	37%	0.372	C	S	.	.			trans	-69	115.6	-178.4	-178.1	167.6	-22.4	0	0	111	L409 N415 G424 C436 A560	L409-Q417 HydrophobicContact CB-CB 4.3Å; L409-Q417 HydrophobicContact CD2-CB 4.42Å; L409-Q417 HydrophobicContact CG-CB 4.24Å; L409-Q417 PolarHBondContact O-N 3.3Å; N415-Q417 PolarHBondContact O-N 3.36Å; Q417-G424 PolarHBondContact NE2-O 2.79Å; Q417-C436 PolarHBondContact O-N 2.68Å; Q417-C436 VanDerWaalsContact O-N 3.08Å; Q417-A560 PolarHBondContact OE1-O 2.99Å
418	Q	79.7	Confident	74	Confident	134 Å²	134	59.6 Å²	59.6	63%	0.626	36%	0.364	S	S	*	.	B	Isolated β-bridge	trans	-83.8	154.2	178.6	-61.8	-169	6.6	0	0	112.2	V416 N434	V416-Q418 PolarHBondContact O-N 3.29Å; Q418-N434 CarbonylContact C-O 3.55Å; Q418-N434 VanDerWaalsContact CA-O 3.23Å; Q418-N434 WeakPolarHBondContact CA-O 3.48Å
419	C	84.2	Confident	74.4	Confident	5 Å²	5	61.4 Å²	61.4	3%	0.034	37%	0.37	C	S	.	.			trans	-142.1	166.2	-179.4	65.7	0	0	0	0	111	R423 C425 C431 N434 V435	C419-R423 WeakPolarHBondContact CB-O 3.44Å; C419-C425 WeakPolarHBondContact CB-SG 3.42Å; C419-C425 VanDerWaalsContact SG-SG 3.66Å; C419-C431 HydrophobicContact CB-CB 3.83Å; C419-C431 WeakPolarHBondContact CB-SG 3.31Å; C419-C431 WeakPolarHBondContact SG-CA 3.27Å; C419-C431 WeakPolarHBondContact SG-CB 3.3Å; C419-C431 CovalentContact SG-SG 2.03Å; C419-C431 PolarHBondContact SG-SG 2.94Å; C419-N434 PolarHBondContact N-O 3.27Å; C419-N434 WeakPolarHBondContact O-CA 3.37Å; C419-N434 WeakPolarHBondContact O-CB 3.38Å; C419-V435 PolarHBondContact SG-N 3.37Å; C419-V435 PolarHBondContact SG-O 2.81Å
420	S	79.5	Confident	74.7	Confident	84 Å²	84	63.8 Å²	63.8	59%	0.587	38%	0.382	S	S	*	.	B	Isolated β-bridge	trans	-151.8	138.2	179.2	-76.3	0	0	0	0	111.3	G422 R423	S420-G422 PolarHBondContact O-N 2.82Å; S420-R423 PolarHBondContact N-O 3.48Å; S420-R423 PolarHBondContact O-N 3.25Å
421	G	67.6	Low	75.3	Confident	81 Å²	81	62 Å²	62	84%	0.835	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	31.1	175.8	0	0	0	0	0	114.8	R423	G421-R423 VanDerWaalsContact C-N 3.26Å; G421-R423 PolarHBondContact O-N 2.67Å
422	G	64.5	Low	75.9	Confident	65 Å²	65	65 Å²	65	67%	0.67	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	5.9	-176.7	0	0	0	0	0	115	S420	S420-G422 PolarHBondContact O-N 2.82Å
423	R	66.4	Low	76.4	Confident	210 Å²	210	68.5 Å²	68.5	79%	0.792	39%	0.393	S	S	*	.	B	Isolated β-bridge	trans	-117.7	157.2	177.5	-61.7	-173	-179.6	-151.8	0.7	111.2	C419 S420 G421	C419-R423 WeakPolarHBondContact CB-O 3.44Å; S420-R423 PolarHBondContact N-O 3.48Å; S420-R423 PolarHBondContact O-N 3.25Å; G421-R423 VanDerWaalsContact C-N 3.26Å; G421-R423 PolarHBondContact O-N 2.67Å
424	G	76.8	Confident	77.1	Confident	48 Å²	48	66.8 Å²	66.8	50%	0.495	38%	0.384	S	S	.	.	S	Bend	trans	103.1	-4.4	179.5	0	0	0	0	0	115	Q417	Q417-G424 PolarHBondContact NE2-O 2.79Å
425	C	84.3	Confident	78	Confident	29 Å²	29	66 Å²	66	20%	0.196	37%	0.374	C	S	.	.	S	Bend	trans	-102.6	146.7	174	-57.4	0	0	0	0	111.9	C419 Y429 C436	C419-C425 WeakPolarHBondContact CB-SG 3.42Å; C419-C425 VanDerWaalsContact SG-SG 3.66Å; C425-Y429 WeakPolarHBondContact CB-O 3.39Å; C425-C436 WeakPolarHBondContact CA-SG 3.32Å; C425-C436 HydrophobicContact CB-CB 3.79Å; C425-C436 WeakPolarHBondContact CB-SG 3.43Å; C425-C436 WeakPolarHBondContact SG-CA 3.21Å; C425-C436 WeakPolarHBondContact SG-CB 3.49Å; C425-C436 CovalentContact SG-SG 2.04Å; C425-C436 PolarHBondContact SG-SG 3.27Å
426	P	84.3	Confident	79	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.006	36%	0.359	C	S	.	.			trans	-63.4	162.9	170.1	-18.3	29.8	0	0	0	112.7	L409 S428 Y429 T559 C561 C585 D586	L409-P426 HydrophobicContact CD2-CG 3.61Å; P426-S428 PolarHBondContact O-N 3.21Å; P426-Y429 HydrophobicContact CB-CD2 4.32Å; P426-Y429 HydrophobicContact CG-CD2 4.28Å; P426-Y429 PolarHBondContact O-N 2.94Å; P426-T559 HydrophobicContact CG-CG2 3.96Å; P426-C561 HydrophobicContact CG-CB 3.9Å; P426-C585 HydrophobicContact CB-CB 3.54Å; P426-C585 HydrophobicContact CG-CB 4.11Å; P426-D586 WeakPolarHBondContact CA-OD2 3.49Å; P426-D586 VanDerWaalsContact CB-OD2 3.28Å; P426-D586 WeakPolarHBondContact CB-OD2 3.19Å
427	S	79.7	Confident	79.7	Confident	76 Å²	76	62.7 Å²	62.7	53%	0.531	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-11.9	-176.2	66.6	0	0	0	0	115.6	D586	S427-D586 VanDerWaalsContact CB-OD1 3.23Å; S427-D586 WeakPolarHBondContact CB-OD1 3.46Å; S427-D586 PolarHBondContact N-OD1 3.39Å; S427-D586 PolarHBondContact N-OD2 2.86Å; S427-D586 PolarHBondContact OG-OD1 3.07Å
428	S	79.9	Confident	80.1	Confident	26 Å²	26	61.5 Å²	61.5	18%	0.182	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-1.1	170.9	44.6	0	0	0	0	114.1	P426 S439 T442 C585	P426-S428 PolarHBondContact O-N 3.21Å; S428-S439 PolarHBondContact O-N 2.6Å; S428-S439 PolarHBondContact O-OG 3.18Å; S428-T442 VanDerWaalsContact CA-OG1 3.31Å; S428-T442 WeakPolarHBondContact CA-OG1 3.26Å; S428-T442 VanDerWaalsContact CB-OG1 3.25Å; S428-T442 WeakPolarHBondContact CB-OG1 3.44Å; S428-T442 WeakPolarHBondContact O-CB 3.41Å; S428-T442 PolarHBondContact O-OG1 3.05Å; S428-C585 PolarHBondContact OG-SG 3.31Å
429	Y	86.3	Confident	80.4	Confident	47 Å²	47	55.3 Å²	55.3	18%	0.184	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	133.8	-175	-70.7	-98.7	0	0	0	112.3	L409 C425 P426 C436 C437 P438 C561	L409-Y429 HydrophobicContact CB-CD1 3.72Å; L409-Y429 HydrophobicContact CB-CE1 3.55Å; L409-Y429 HydrophobicContact CB-CG 4.34Å; L409-Y429 HydrophobicContact CD1-CE1 4.07Å; L409-Y429 HydrophobicContact CD1-CE2 3.89Å; L409-Y429 HydrophobicContact CD2-CD1 4.36Å; L409-Y429 HydrophobicContact CD2-CD2 4Å; L409-Y429 HydrophobicContact CD2-CE1 4.49Å; L409-Y429 HydrophobicContact CD2-CE2 4.11Å; L409-Y429 HydrophobicContact CD2-CG 4.16Å; L409-Y429 HydrophobicContact CG-CD1 4.48Å; L409-Y429 HydrophobicContact CG-CE1 4.23Å; L409-Y429 HydrophobicContact CG-CE2 4.41Å; C425-Y429 WeakPolarHBondContact CB-O 3.39Å; P426-Y429 HydrophobicContact CB-CD2 4.32Å; P426-Y429 HydrophobicContact CG-CD2 4.28Å; P426-Y429 PolarHBondContact O-N 2.94Å; Y429-C436 HydrophobicContact CD1-CB 4.36Å; Y429-C436 HydrophobicContact CG-CB 4.47Å; Y429-C437 CarbonylContact C-O 3.58Å; Y429-C437 WeakPolarHBondContact CA-O 3.46Å; Y429-P438 HydrophobicContact CD1-CG 4.23Å; Y429-P438 HydrophobicContact CE1-CB 4.29Å; Y429-P438 HydrophobicContact CE1-CG 3.69Å; Y429-C561 HydrophobicContact CE2-CB 4.49Å
430	D	85.7	Confident	80.5	Confident	55 Å²	55	56.9 Å²	56.9	29%	0.294	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	140.3	170.9	-71.4	-17.8	0	0	0	110.5	R432 C437	D430-R432 HydrophobicContact CB-CG 4.21Å; D430-R432 PolarHBondContact O-N 2.81Å; D430-R432 IonicContact OD2-CZ 3.59Å; D430-R432 IonicContact OD2-NE 2.75Å; D430-R432 IonicContact OD2-NH2 2.67Å; D430-R432 PolarHBondContact OD2-NH2 2.78Å; D430-C437 PolarHBondContact N-O 2.91Å; D430-C437 PolarHBondContact O-N 2.96Å
431	C	86.2	Confident	80.5	Confident	34 Å²	34	57.2 Å²	57.2	23%	0.23	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	108.8	170	-175.5	0	0	0	0	110.6	C419	C419-C431 HydrophobicContact CB-CB 3.83Å; C419-C431 WeakPolarHBondContact CB-SG 3.31Å; C419-C431 WeakPolarHBondContact SG-CA 3.27Å; C419-C431 WeakPolarHBondContact SG-CB 3.3Å; C419-C431 CovalentContact SG-SG 2.03Å; C419-C431 PolarHBondContact SG-SG 2.94Å
432	R	83.1	Confident	81.3	Confident	111 Å²	111	54.9 Å²	54.9	42%	0.419	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.9	178.9	-56.6	-67.4	175.8	165	-4.9	109.2	D430 N434 V435 C437	D430-R432 HydrophobicContact CB-CG 4.21Å; D430-R432 PolarHBondContact O-N 2.81Å; D430-R432 IonicContact OD2-CZ 3.59Å; D430-R432 IonicContact OD2-NE 2.75Å; D430-R432 IonicContact OD2-NH2 2.67Å; D430-R432 PolarHBondContact OD2-NH2 2.78Å; R432-N434 PolarHBondContact O-N 3.14Å; R432-N434 VanDerWaalsContact O-N 3.16Å; R432-V435 PolarHBondContact N-O 2.8Å; R432-V435 PolarHBondContact O-N 3.31Å; R432-C437 HydrophobicContact CB-CB 4.23Å; R432-C437 HydrophobicContact CG-CB 3.98Å
433	R	76.2	Confident	82.5	Confident	169 Å²	169	51.8 Å²	51.8	64%	0.638	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	41	179.3	-56.4	179.1	-176.8	129.3	15.5	113.4	N401 V435	N401-R433 PolarHBondContact O-NH1 2.88Å; R433-V435 VanDerWaalsContact C-N 3.26Å; R433-V435 PolarHBondContact O-N 2.88Å
434	N	79.8	Confident	83.7	Confident	96 Å²	96	41.8 Å²	41.8	51%	0.513	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	20.6	-175.5	-56.7	-17	0	0	0	115.6	Q418 C419 R432	Q418-N434 CarbonylContact C-O 3.55Å; Q418-N434 VanDerWaalsContact CA-O 3.23Å; Q418-N434 WeakPolarHBondContact CA-O 3.48Å; C419-N434 PolarHBondContact N-O 3.27Å; C419-N434 WeakPolarHBondContact O-CA 3.37Å; C419-N434 WeakPolarHBondContact O-CB 3.38Å; R432-N434 PolarHBondContact O-N 3.14Å; R432-N434 VanDerWaalsContact O-N 3.16Å
435	V	80.6	Confident	84.1	Confident	9 Å²	9	42.5 Å²	42.5	6%	0.055	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	146.1	174.2	172.3	0	0	0	0	110.6	V402 A408 V416 C419 R432 R433 C437	V402-V435 HydrophobicContact CG1-CB 3.63Å; V402-V435 HydrophobicContact CG1-CG1 3.6Å; V402-V435 HydrophobicContact CG1-CG2 3.73Å; A408-V435 HydrophobicContact CB-CG1 3.5Å; V416-V435 HydrophobicContact CG1-CB 4.21Å; V416-V435 HydrophobicContact CG1-CG1 3.33Å; V416-V435 HydrophobicContact CG1-CG2 3.83Å; C419-V435 PolarHBondContact SG-N 3.37Å; C419-V435 PolarHBondContact SG-O 2.81Å; R432-V435 PolarHBondContact N-O 2.8Å; R432-V435 PolarHBondContact O-N 3.31Å; R433-V435 VanDerWaalsContact C-N 3.26Å; R433-V435 PolarHBondContact O-N 2.88Å; V435-C437 PolarHBondContact O-N 2.81Å
436	C	85.9	Confident	84.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	111	173.8	-62.8	0	0	0	0	111.5	L409 Q417 C425 Y429	L409-C436 HydrophobicContact CB-CB 3.85Å; L409-C436 HydrophobicContact CD2-CB 4.23Å; L409-C436 PolarHBondContact N-O 3.45Å; Q417-C436 PolarHBondContact O-N 2.68Å; Q417-C436 VanDerWaalsContact O-N 3.08Å; C425-C436 WeakPolarHBondContact CA-SG 3.32Å; C425-C436 HydrophobicContact CB-CB 3.79Å; C425-C436 WeakPolarHBondContact CB-SG 3.43Å; C425-C436 WeakPolarHBondContact SG-CA 3.21Å; C425-C436 WeakPolarHBondContact SG-CB 3.49Å; C425-C436 CovalentContact SG-SG 2.04Å; C425-C436 PolarHBondContact SG-SG 3.27Å; Y429-C436 HydrophobicContact CD1-CB 4.36Å; Y429-C436 HydrophobicContact CG-CB 4.47Å
437	C	85.5	Confident	84.6	Confident	4 Å²	4	49.3 Å²	49.3	3%	0.027	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	141.8	-178.4	-68.6	0	0	0	0	111.2	C403 Y429 D430 R432 V435 S439	C403-C437 WeakPolarHBondContact CA-SG 3.23Å; C403-C437 HydrophobicContact CB-CB 3.59Å; C403-C437 WeakPolarHBondContact CB-SG 3.49Å; C403-C437 WeakPolarHBondContact SG-CA 3.29Å; C403-C437 WeakPolarHBondContact SG-CB 3.41Å; C403-C437 CovalentContact SG-SG 2.03Å; C403-C437 PolarHBondContact SG-SG 3.35Å; Y429-C437 CarbonylContact C-O 3.58Å; Y429-C437 WeakPolarHBondContact CA-O 3.46Å; D430-C437 PolarHBondContact N-O 2.91Å; D430-C437 PolarHBondContact O-N 2.96Å; R432-C437 HydrophobicContact CB-CB 4.23Å; R432-C437 HydrophobicContact CG-CB 3.98Å; V435-C437 PolarHBondContact O-N 2.81Å; C437-S439 PolarHBondContact O-N 2.84Å
438	P	85.6	Confident	85.2	Confident	7 Å²	7	50.5 Å²	50.5	5%	0.045	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	126.5	-179.3	-28.3	35.4	0	0	0	111.6	E407 Y429 V443	E407-P438 WeakPolarHBondContact O-CD 3.25Å; E407-P438 VanDerWaalsContact O-CG 3.31Å; E407-P438 WeakPolarHBondContact O-CG 3.45Å; Y429-P438 HydrophobicContact CD1-CG 4.23Å; Y429-P438 HydrophobicContact CE1-CB 4.29Å; Y429-P438 HydrophobicContact CE1-CG 3.69Å; P438-V443 HydrophobicContact CB-CG2 3.66Å
439	S	85.8	Confident	85.8	Confident	4 Å²	4	53 Å²	53	3%	0.028	26%	0.258	C	S	.	.			trans	-68.3	157.3	179.6	75	0	0	0	0	110.8	S428 C437 Q441 T442 V443	S428-S439 PolarHBondContact O-N 2.6Å; S428-S439 PolarHBondContact O-OG 3.18Å; C437-S439 PolarHBondContact O-N 2.84Å; S439-Q441 PolarHBondContact O-N 3.43Å; S439-Q441 VanDerWaalsContact O-N 3.15Å; S439-Q441 PolarHBondContact OG-OE1 3.49Å; S439-T442 WeakPolarHBondContact O-CA 3.47Å; S439-T442 WeakPolarHBondContact O-CB 3.49Å; S439-T442 PolarHBondContact O-N 2.87Å; S439-T442 PolarHBondContact OG-N 2.03Å; S439-T442 PolarHBondContact OG-OG1 3.04Å; S439-V443 PolarHBondContact O-N 3.14Å
440	K	86.4	Confident	85.9	Confident	39 Å²	39	54.2 Å²	54.2	17%	0.17	27%	0.27	C	S	.	.	H	α-helix	trans	-52.8	-36.2	175.6	174.9	173.9	173.7	148.3	0	112.3	C444 F493 C494 D496	K440-C444 VanDerWaalsContact O-CB 3.31Å; K440-C444 WeakPolarHBondContact O-CB 3.2Å; K440-C444 PolarHBondContact O-N 2.77Å; K440-C444 PolarHBondContact O-SG 3.42Å; K440-F493 HydrophobicContact CB-CE1 4.23Å; K440-F493 HydrophobicContact CB-CZ 4.42Å; K440-F493 WeakPolarHBondContact CD-O 3.42Å; K440-F493 WeakPolarHBondContact CE-O 3.43Å; K440-F493 HydrophobicContact CG-CE1 4.34Å; K440-F493 PolarHBondContact NZ-O 3.47Å; K440-C494 WeakPolarHBondContact CE-O 3.23Å; K440-D496 IonicContact NZ-OD2 3.47Å; K440-D496 PolarHBondContact NZ-OD2 3.27Å
441	Q	80	Confident	85.8	Confident	91 Å²	91	52.5 Å²	52.5	43%	0.425	27%	0.265	S	S	.	.	H	α-helix	trans	-67.2	-38.1	176.9	-65.1	79.6	-3.1	0	0	111.7	S439 S445	S439-Q441 PolarHBondContact O-N 3.43Å; S439-Q441 VanDerWaalsContact O-N 3.15Å; S439-Q441 PolarHBondContact OG-OE1 3.49Å; Q441-S445 WeakPolarHBondContact O-CB 2.99Å; Q441-S445 PolarHBondContact O-OG 3.26Å
442	T	84.8	Confident	85.6	Confident	32 Å²	32	56.1 Å²	56.1	20%	0.196	29%	0.286	C	S	.	.	H	α-helix	trans	-68.7	-51.3	176.6	-59.6	0	0	0	0	111.2	S428 S439 S445 Q446	S428-T442 VanDerWaalsContact CA-OG1 3.31Å; S428-T442 WeakPolarHBondContact CA-OG1 3.26Å; S428-T442 VanDerWaalsContact CB-OG1 3.25Å; S428-T442 WeakPolarHBondContact CB-OG1 3.44Å; S428-T442 WeakPolarHBondContact O-CB 3.41Å; S428-T442 PolarHBondContact O-OG1 3.05Å; S439-T442 WeakPolarHBondContact O-CA 3.47Å; S439-T442 WeakPolarHBondContact O-CB 3.49Å; S439-T442 PolarHBondContact O-N 2.87Å; S439-T442 PolarHBondContact OG-N 2.03Å; S439-T442 PolarHBondContact OG-OG1 3.04Å; T442-S445 PolarHBondContact O-OG 2.87Å; T442-Q446 WeakPolarHBondContact O-CG 3.46Å
443	V	88.9	Confident	85.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-59.4	-178	176	0	0	0	0	111.4	P438 S439 S445 Q446 D481 N482 F484 F493	P438-V443 HydrophobicContact CB-CG2 3.66Å; S439-V443 PolarHBondContact O-N 3.14Å; V443-S445 PolarHBondContact O-N 2.73Å; V443-Q446 WeakPolarHBondContact O-CB 3.46Å; V443-Q446 PolarHBondContact O-N 3.39Å; V443-Q446 VanDerWaalsContact O-N 3.12Å; V443-D481 HydrophobicContact CB-CB 4.39Å; V443-D481 HydrophobicContact CG1-CB 4.05Å; V443-D481 WeakPolarHBondContact CG1-O 3.09Å; V443-D481 HydrophobicContact CG2-CB 3.88Å; V443-N482 HydrophobicContact CG1-CB 4.5Å; V443-N482 WeakPolarHBondContact O-CB 3.06Å; V443-F484 HydrophobicContact CG1-CZ 4.39Å; V443-F493 HydrophobicContact CB-CE1 3.8Å; V443-F493 HydrophobicContact CB-CZ 4.36Å; V443-F493 HydrophobicContact CG1-CD1 4.46Å; V443-F493 HydrophobicContact CG1-CE1 3.85Å; V443-F493 HydrophobicContact CG2-CE1 4.16Å; V443-F493 HydrophobicContact CG2-CZ 4.21Å
444	C	90.9	Very high	85.6	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-1.2	-171.1	-51.3	0	0	0	0	114	K440 Y462 C494 F497	K440-C444 VanDerWaalsContact O-CB 3.31Å; K440-C444 WeakPolarHBondContact O-CB 3.2Å; K440-C444 PolarHBondContact O-N 2.77Å; K440-C444 PolarHBondContact O-SG 3.42Å; C444-Y462 HydrophobicContact CB-CD1 3.82Å; C444-Y462 HydrophobicContact CB-CE1 4.43Å; C444-Y462 HydrophobicContact CB-CG 4.34Å; C444-Y462 WeakPolarHBondContact O-CD1 3.12Å; C444-C494 HydrophobicContact CB-CB 3.9Å; C444-C494 WeakPolarHBondContact CB-SG 3.45Å; C444-C494 WeakPolarHBondContact SG-CA 3.39Å; C444-C494 WeakPolarHBondContact SG-CB 3Å; C444-C494 CovalentContact SG-SG 2.04Å; C444-C494 PolarHBondContact SG-SG 3.24Å; C444-F497 HydrophobicContact CB-CB 4.19Å; C444-F497 HydrophobicContact CB-CD2 3.47Å; C444-F497 VanDerWaalsContact CB-CD2 3.47Å; C444-F497 HydrophobicContact CB-CE2 3.93Å; C444-F497 HydrophobicContact CB-CG 3.87Å
445	S	87	Confident	85.3	Confident	63 Å²	63	51 Å²	51	44%	0.441	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-10.8	172.2	64.4	0	0	0	0	114	Q441 T442 V443	Q441-S445 WeakPolarHBondContact O-CB 2.99Å; Q441-S445 PolarHBondContact O-OG 3.26Å; T442-S445 PolarHBondContact O-OG 2.87Å; V443-S445 PolarHBondContact O-N 2.73Å
446	Q	88.4	Confident	85.1	Confident	44 Å²	44	54.5 Å²	54.5	21%	0.206	32%	0.324	C	S	.	.	S	Bend	trans	-70.9	141.1	175.6	-64.2	167.5	4.2	0	0	110.6	T442 V443 N480 D481 N482	T442-Q446 WeakPolarHBondContact O-CG 3.46Å; V443-Q446 WeakPolarHBondContact O-CB 3.46Å; V443-Q446 PolarHBondContact O-N 3.39Å; V443-Q446 VanDerWaalsContact O-N 3.12Å; Q446-N480 VanDerWaalsContact OE1-CB 3.3Å; Q446-D481 PolarHBondContact NE2-OD2 3.36Å; Q446-N482 HydrophobicContact CB-CB 4.06Å; Q446-N482 PolarHBondContact O-ND2 2.67Å
447	N	90.9	Very high	84.8	Confident	129 Å²	129	57.2 Å²	57.2	69%	0.69	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-69.2	155.7	168.8	-67	-31.6	0	0	0	110.7	L449 N480	N447-L449 PolarHBondContact O-N 3.24Å; N447-N480 PolarHBondContact O-ND2 2.04Å
448	K	92.1	Very high	84.8	Confident	100 Å²	100	61.2 Å²	61.2	44%	0.435	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-53	131.3	169	55.7	-175.8	171.1	-156.6	0	111.6	W461 F472	K448-W461 HydrophobicContact CB-CB 4.36Å; K448-W461 HydrophobicContact CB-CD2 3.55Å; K448-W461 HydrophobicContact CB-CE3 3.85Å; K448-W461 HydrophobicContact CB-CG 3.75Å; K448-W461 HydrophobicContact CB-CZ2 4.43Å; K448-W461 HydrophobicContact CB-CZ3 4.41Å; K448-W461 HydrophobicContact CD-CD2 4.29Å; K448-W461 HydrophobicContact CD-CZ2 3.93Å; K448-W461 HydrophobicContact CG-CD2 4.13Å; K448-W461 HydrophobicContact CG-CE3 4.42Å; K448-W461 HydrophobicContact CG-CH2 4.38Å; K448-W461 HydrophobicContact CG-CZ2 4.08Å; K448-F472 HydrophobicContact CB-CD2 4.28Å; K448-F472 HydrophobicContact CB-CG 4.38Å; K448-F472 HydrophobicContact CD-CB 4.12Å
449	L	91	Very high	84.9	Confident	80 Å²	80	64.1 Å²	64.1	42%	0.419	38%	0.375	S	S	.	.			trans	-115.9	106.4	172.3	-173.5	56.1	0	0	0	109.7	N447 G451 N478 N480	N447-L449 PolarHBondContact O-N 3.24Å; L449-G451 PolarHBondContact O-N 3.1Å; L449-N478 WeakPolarHBondContact CD2-O 3.22Å; L449-N478 VanDerWaalsContact CG-O 3.29Å; L449-N478 WeakPolarHBondContact CG-O 3.47Å; L449-N480 HydrophobicContact CB-CB 4.22Å; L449-N480 HydrophobicContact CD2-CB 4.17Å
450	V	89.8	Confident	85.2	Confident	71 Å²	71	66.2 Å²	66.2	43%	0.43	38%	0.383	S	S	.	.			trans	-62.5	-31.8	-179.4	171.6	0	0	0	0	111.6	F472 Y474 T475	V450-F472 HydrophobicContact CG2-CD2 4.48Å; V450-Y474 WeakPolarHBondContact O-CD2 3.23Å; V450-T475 HydrophobicContact CG1-CG2 3.66Å; V450-T475 VanDerWaalsContact O-CB 3.32Å; V450-T475 WeakPolarHBondContact O-CB 3.45Å; V450-T475 VanDerWaalsContact O-CG2 3.32Å; V450-T475 WeakPolarHBondContact O-CG2 3.21Å; V450-T475 PolarHBondContact O-N 2.78Å; V450-T475 PolarHBondContact O-OG1 2.88Å
451	G	82	Confident	85.6	Confident	19 Å²	19	65 Å²	65	20%	0.196	38%	0.378	C	S	.	.			trans	84	-168.5	-175.4	0	0	0	0	0	113.3	L449 T475 C477 N478	L449-G451 PolarHBondContact O-N 3.1Å; G451-T475 VanDerWaalsContact CA-OG1 3.24Å; G451-T475 WeakPolarHBondContact CA-OG1 3.43Å; G451-C477 VanDerWaalsContact CA-O 3.25Å; G451-C477 WeakPolarHBondContact CA-O 3.37Å; G451-N478 WeakPolarHBondContact CA-O 3.47Å
452	T	82.7	Confident	86.2	Confident	111 Å²	111	60.8 Å²	60.8	68%	0.681	36%	0.358	S	S	*	.	S	Bend	trans	-129.7	13	-172.4	67.4	0	0	0	0	114.3	T475 N478	T452-T475 PolarHBondContact N-OG1 3.43Å; T452-T475 VanDerWaalsContact N-OG1 3.12Å; T452-N478 PolarHBondContact OG1-ND2 2.87Å
453	C	80.8	Confident	86.4	Confident	57 Å²	57	60.5 Å²	60.5	39%	0.385	36%	0.355	S	S	.	.	S	Bend	trans	-93.1	-172.2	179.2	-84.5	0	0	0	0	112.2	T475 C477	C453-T475 CarbonylContact C-O 3.56Å; C453-T475 WeakPolarHBondContact CB-O 3.36Å; C453-T475 PolarHBondContact N-OG1 2.95Å; C453-T475 VanDerWaalsContact N-OG1 3.12Å; C453-T475 VanDerWaalsContact O-CB 3.25Å; C453-T475 WeakPolarHBondContact O-CB 3.35Å; C453-T475 WeakPolarHBondContact O-CG2 3.33Å; C453-C477 HydrophobicContact CB-CB 3.92Å; C453-C477 WeakPolarHBondContact CB-SG 3.43Å; C453-C477 WeakPolarHBondContact SG-CB 3.15Å; C453-C477 CovalentContact SG-SG 2.03Å; C453-C477 PolarHBondContact SG-SG 2.92Å
454	T	78.2	Confident	86	Confident	147 Å²	147	61.5 Å²	61.5	90%	0.902	36%	0.364	S	S	*	.	S	Bend	trans	-111	-2.9	-173.7	52.4	0	0	0	0	114.9
455	S	73.3	Confident	85.2	Confident	65 Å²	65	65.1 Å²	65.1	46%	0.455	39%	0.394	S	S	.	.			trans	-70.8	160	174.9	-54.1	0	0	0	0	110.3	T475	S455-T475 WeakPolarHBondContact CA-O 3.35Å; S455-T475 VanDerWaalsContact CB-O 3.23Å; S455-T475 WeakPolarHBondContact CB-O 3.48Å; S455-T475 PolarHBondContact N-O 3.12Å; S455-T475 VanDerWaalsContact O-CA 3.24Å; S455-T475 WeakPolarHBondContact O-CA 3.38Å
456	A	77.9	Confident	85.1	Confident	82 Å²	82	66 Å²	66	68%	0.678	40%	0.396	S	S	*	.			trans	-128.8	86	173	0	0	0	0	0	109.1	I473	A456-I473 HydrophobicContact CB-CG2 4.06Å
457	V	78.9	Confident	84.8	Confident	57 Å²	57	71.4 Å²	71.4	35%	0.345	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.4	-178.3	-173	0	0	0	0	109.3	R459 Y474	V457-R459 HydrophobicContact CG1-CG 4.36Å; V457-R459 PolarHBondContact O-N 3.43Å; V457-Y474 PolarHBondContact N-O 3.25Å; V457-Y474 PolarHBondContact O-N 2.86Å
458	T	86	Confident	84.6	Confident	87 Å²	87	68.6 Å²	68.6	53%	0.534	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	124.8	171.4	-54.2	0	0	0	0	109.6
459	R	87.8	Confident	84.5	Confident	68 Å²	68	64.1 Å²	64.1	26%	0.257	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	168.5	177.6	-65.5	-66	-179.2	80.8	-0.3	109.4	V457 S471 F472 Y474 N483 F484	V457-R459 HydrophobicContact CG1-CG 4.36Å; V457-R459 PolarHBondContact O-N 3.43Å; R459-S471 CarbonylContact O-C 3.58Å; R459-S471 VanDerWaalsContact O-CA 3.26Å; R459-S471 WeakPolarHBondContact O-CA 3.41Å; R459-F472 HydrophobicContact CB-CD1 4.06Å; R459-F472 HydrophobicContact CB-CE1 3.57Å; R459-F472 HydrophobicContact CB-CZ 4.03Å; R459-F472 PolarHBondContact N-O 2.85Å; R459-F472 PolarHBondContact O-N 2.85Å; R459-Y474 HydrophobicContact CG-CD1 4.3Å; R459-Y474 HydrophobicContact CG-CG 4.33Å; R459-N483 WeakPolarHBondContact CB-OD1 3.27Å; R459-N483 WeakPolarHBondContact CD-OD1 3.4Å; R459-N483 WeakPolarHBondContact CG-OD1 3.36Å; R459-N483 PolarHBondContact NH1-OD1 2.95Å; R459-F484 WeakPolarHBondContact CA-O 3.29Å; R459-F484 WeakPolarHBondContact CB-O 3.5Å; R459-F484 WeakPolarHBondContact CD-O 3.41Å
460	F	91.6	Very high	84.6	Confident	48 Å²	48	63 Å²	63	21%	0.211	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	147.4	174.6	-66.8	-96.3	0	0	0	110.2	E470 F484 N486 Y487 C490	F460-E470 CarbonylContact C-O 3.51Å; F460-E470 VanDerWaalsContact CA-O 3.28Å; F460-E470 WeakPolarHBondContact CA-O 3.17Å; F460-F484 HydrophobicContact CB-CB 4.28Å; F460-F484 PolarHBondContact N-O 2.73Å; F460-F484 WeakPolarHBondContact O-CD2 3.35Å; F460-F484 PolarHBondContact O-N 3.41Å; F460-N486 VanDerWaalsContact CD2-C 3.47Å; F460-Y487 HydrophobicContact CD1-CD2 4.09Å; F460-Y487 VanDerWaalsContact CD2-N 3.34Å; F460-Y487 HydrophobicContact CE1-CD2 4.19Å; F460-Y487 HydrophobicContact CE1-CG 4.45Å; F460-C490 HydrophobicContact CB-CB 4.07Å
461	W	94.4	Very high	84.7	Confident	13 Å²	13	63.1 Å²	63.1	5%	0.049	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147.9	172.9	77.6	-65.5	0	0	0	108.8	K448 N463 C469 E470 F472 N482	K448-W461 HydrophobicContact CB-CB 4.36Å; K448-W461 HydrophobicContact CB-CD2 3.55Å; K448-W461 HydrophobicContact CB-CE3 3.85Å; K448-W461 HydrophobicContact CB-CG 3.75Å; K448-W461 HydrophobicContact CB-CZ2 4.43Å; K448-W461 HydrophobicContact CB-CZ3 4.41Å; K448-W461 HydrophobicContact CD-CD2 4.29Å; K448-W461 HydrophobicContact CD-CZ2 3.93Å; K448-W461 HydrophobicContact CG-CD2 4.13Å; K448-W461 HydrophobicContact CG-CE3 4.42Å; K448-W461 HydrophobicContact CG-CH2 4.38Å; K448-W461 HydrophobicContact CG-CZ2 4.08Å; W461-N463 HydrophobicContact CD2-CB 4.44Å; W461-N463 HydrophobicContact CE3-CB 4.47Å; W461-N463 HydrophobicContact CH2-CB 3.53Å; W461-N463 VanDerWaalsContact CH2-CG 3.44Å; W461-N463 HydrophobicContact CZ2-CB 3.46Å; W461-N463 VanDerWaalsContact CZ2-CB 3.46Å; W461-N463 HydrophobicContact CZ3-CB 4.05Å; W461-N463 PolarHBondContact O-N 3.09Å; W461-C469 CarbonylContact O-C 3.57Å; W461-C469 WeakPolarHBondContact O-CA 3.42Å; W461-E470 VanDerWaalsContact CD1-O 3.23Å; W461-E470 PolarHBondContact N-O 2.85Å; W461-E470 PolarHBondContact O-N 3.16Å; W461-F472 HydrophobicContact CB-CD1 3.94Å; W461-F472 HydrophobicContact CB-CE1 3.85Å; W461-F472 AromaticContact CD1-CD1 3.8Å; W461-F472 HydrophobicContact CG-CD1 4.14Å; W461-F472 HydrophobicContact CG-CE1 4.49Å; W461-N482 VanDerWaalsContact CB-O 3.23Å; W461-N482 WeakPolarHBondContact CB-O 3.46Å
462	Y	93	Very high	85.3	Confident	4 Å²	4	62.9 Å²	62.9	2%	0.016	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	115.6	174.7	-176.6	-96.3	0	0	0	110.2	C444 A464 R467 N482 C494 F497	C444-Y462 HydrophobicContact CB-CD1 3.82Å; C444-Y462 HydrophobicContact CB-CE1 4.43Å; C444-Y462 HydrophobicContact CB-CG 4.34Å; C444-Y462 WeakPolarHBondContact O-CD1 3.12Å; Y462-A464 HydrophobicContact CE1-CB 4.44Å; Y462-A464 PolarHBondContact O-N 3.22Å; Y462-R467 WeakPolarHBondContact CE2-O 3.37Å; Y462-R467 WeakPolarHBondContact OH-CA 3.31Å; Y462-R467 PolarHBondContact OH-O 3.32Å; Y462-N482 PolarHBondContact N-OD1 3.41Å; Y462-N482 PolarHBondContact O-ND2 3.35Å; Y462-C494 WeakPolarHBondContact CB-SG 3.4Å; Y462-C494 HydrophobicContact CD1-CB 3.99Å; Y462-C494 HydrophobicContact CD2-CB 3.3Å; Y462-C494 HydrophobicContact CE1-CB 4.44Å; Y462-C494 HydrophobicContact CE2-CB 3.83Å; Y462-C494 HydrophobicContact CG-CB 3.36Å; Y462-F497 HydrophobicContact CD1-CD1 4.37Å; Y462-F497 HydrophobicContact CE1-CB 3.94Å; Y462-F497 AromaticContact CE1-CD1 3.47Å; Y462-F497 HydrophobicContact CE1-CD1 3.47Å; Y462-F497 VanDerWaalsContact CE1-CD1 3.47Å; Y462-F497 HydrophobicContact CE1-CE1 4.15Å; Y462-F497 AromaticContact CE1-CG 3.88Å; Y462-F497 HydrophobicContact CE1-CG 3.88Å
463	N	88.1	Confident	85.7	Confident	25 Å²	25	61.8 Å²	61.8	13%	0.134	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	103.7	176.3	-178.2	-9.1	0	0	0	110	W461 A465 T466 R467 D468 E470	W461-N463 HydrophobicContact CD2-CB 4.44Å; W461-N463 HydrophobicContact CE3-CB 4.47Å; W461-N463 HydrophobicContact CH2-CB 3.53Å; W461-N463 VanDerWaalsContact CH2-CG 3.44Å; W461-N463 HydrophobicContact CZ2-CB 3.46Å; W461-N463 VanDerWaalsContact CZ2-CB 3.46Å; W461-N463 HydrophobicContact CZ3-CB 4.05Å; W461-N463 PolarHBondContact O-N 3.09Å; N463-A465 PolarHBondContact O-N 2.98Å; N463-A465 WeakPolarHBondContact OD1-CB 3.32Å; N463-A465 PolarHBondContact OD1-N 3.29Å; N463-T466 VanDerWaalsContact CB-OG1 3.27Å; N463-T466 WeakPolarHBondContact CB-OG1 3.21Å; N463-T466 VanDerWaalsContact CG-OG1 3.31Å; N463-T466 PolarHBondContact ND2-OG1 2.91Å; N463-T466 PolarHBondContact O-N 2.03Å; N463-T466 PolarHBondContact O-OG1 2.77Å; N463-R467 WeakPolarHBondContact O-CA 3.47Å; N463-R467 PolarHBondContact O-N 2.8Å; N463-D468 PolarHBondContact N-O 3.12Å; N463-E470 HydrophobicContact CB-CG 4.37Å; N463-E470 WeakPolarHBondContact CB-OE1 2.99Å; N463-E470 VanDerWaalsContact ND2-CD 3.26Å; N463-E470 PolarHBondContact ND2-OE1 3.36Å; N463-E470 PolarHBondContact ND2-OE2 3.08Å; N463-E470 VanDerWaalsContact ND2-OE2 3.14Å
464	A	81.1	Confident	85.8	Confident	22 Å²	22	60.3 Å²	60.3	18%	0.182	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-12.8	179.2	0	0	0	0	0	115.1	Y462 F497	Y462-A464 HydrophobicContact CE1-CB 4.44Å; Y462-A464 PolarHBondContact O-N 3.22Å; A464-F497 HydrophobicContact CB-CE1 3.73Å; A464-F497 HydrophobicContact CB-CZ 4.26Å
465	A	75.1	Confident	86	Confident	76 Å²	76	54.1 Å²	54.1	63%	0.628	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-43.8	174.6	0	0	0	0	0	112.5	N463	N463-A465 PolarHBondContact O-N 2.98Å; N463-A465 WeakPolarHBondContact OD1-CB 3.32Å; N463-A465 PolarHBondContact OD1-N 3.29Å
466	T	84	Confident	85.8	Confident	80 Å²	80	52.8 Å²	52.8	49%	0.491	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-17.8	176.6	53.4	0	0	0	0	112.7	N463 D468 E470	N463-T466 VanDerWaalsContact CB-OG1 3.27Å; N463-T466 WeakPolarHBondContact CB-OG1 3.21Å; N463-T466 VanDerWaalsContact CG-OG1 3.31Å; N463-T466 PolarHBondContact ND2-OG1 2.91Å; N463-T466 PolarHBondContact O-N 2.03Å; N463-T466 PolarHBondContact O-OG1 2.77Å; T466-D468 VanDerWaalsContact C-N 3.28Å; T466-E470 WeakPolarHBondContact CG2-OE1 3.09Å; T466-E470 PolarHBondContact OG1-OE1 3.38Å
467	R	81.3	Confident	85.7	Confident	158 Å²	158	50.4 Å²	50.4	60%	0.596	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	28.2	-172.2	-58.1	-172.8	179.8	-175.5	1.5	114.1	Y462 N463	Y462-R467 WeakPolarHBondContact CE2-O 3.37Å; Y462-R467 WeakPolarHBondContact OH-CA 3.31Å; Y462-R467 PolarHBondContact OH-O 3.32Å; N463-R467 WeakPolarHBondContact O-CA 3.47Å; N463-R467 PolarHBondContact O-N 2.8Å
468	D	87.4	Confident	85.6	Confident	71 Å²	71	52.7 Å²	52.7	38%	0.38	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	166	-176.6	-159.1	6	0	0	0	112.3	N463 T466 Y487	N463-D468 PolarHBondContact N-O 3.12Å; T466-D468 VanDerWaalsContact C-N 3.28Å; D468-Y487 PolarHBondContact OD1-OH 3.27Å
469	C	91	Very high	85.2	Confident	6 Å²	6	49.9 Å²	49.9	4%	0.041	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	101.3	178.7	-79.1	0	0	0	0	111.3	W461 Y487 C490 I491	W461-C469 CarbonylContact O-C 3.57Å; W461-C469 WeakPolarHBondContact O-CA 3.42Å; C469-Y487 HydrophobicContact CB-CD2 3.59Å; C469-Y487 HydrophobicContact CB-CE2 3.59Å; C469-Y487 WeakPolarHBondContact O-CD2 3.33Å; C469-Y487 WeakPolarHBondContact O-CE2 3.18Å; C469-C490 HydrophobicContact CB-CB 3.74Å; C469-C490 WeakPolarHBondContact CB-SG 3.29Å; C469-C490 WeakPolarHBondContact SG-CB 3.47Å; C469-C490 CovalentContact SG-SG 2.03Å; C469-C490 PolarHBondContact SG-SG 3.49Å; C469-I491 PolarHBondContact SG-N 3.37Å
470	E	92.9	Very high	85.1	Confident	56 Å²	56	48.6 Å²	48.6	26%	0.262	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	151.6	-179.1	-72.4	166.5	-156.5	0	0	111	F460 W461 N463 T466	F460-E470 CarbonylContact C-O 3.51Å; F460-E470 VanDerWaalsContact CA-O 3.28Å; F460-E470 WeakPolarHBondContact CA-O 3.17Å; W461-E470 VanDerWaalsContact CD1-O 3.23Å; W461-E470 PolarHBondContact N-O 2.85Å; W461-E470 PolarHBondContact O-N 3.16Å; N463-E470 HydrophobicContact CB-CG 4.37Å; N463-E470 WeakPolarHBondContact CB-OE1 2.99Å; N463-E470 VanDerWaalsContact ND2-CD 3.26Å; N463-E470 PolarHBondContact ND2-OE1 3.36Å; N463-E470 PolarHBondContact ND2-OE2 3.08Å; N463-E470 VanDerWaalsContact ND2-OE2 3.14Å; T466-E470 WeakPolarHBondContact CG2-OE1 3.09Å; T466-E470 PolarHBondContact OG1-OE1 3.38Å
471	S	92.3	Very high	85	Confident	74 Å²	74	48.2 Å²	48.2	52%	0.517	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	151.2	171	61.9	0	0	0	0	111.8	R459	R459-S471 CarbonylContact O-C 3.58Å; R459-S471 VanDerWaalsContact O-CA 3.26Å; R459-S471 WeakPolarHBondContact O-CA 3.41Å
472	F	93.6	Very high	84.9	Confident	14 Å²	14	47.6 Å²	47.6	6%	0.061	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	161.5	170.8	79.3	-71.7	0	0	0	111	K448 V450 R459 W461 Y474 N483	K448-F472 HydrophobicContact CB-CD2 4.28Å; K448-F472 HydrophobicContact CB-CG 4.38Å; K448-F472 HydrophobicContact CD-CB 4.12Å; V450-F472 HydrophobicContact CG2-CD2 4.48Å; R459-F472 HydrophobicContact CB-CD1 4.06Å; R459-F472 HydrophobicContact CB-CE1 3.57Å; R459-F472 HydrophobicContact CB-CZ 4.03Å; R459-F472 PolarHBondContact N-O 2.85Å; R459-F472 PolarHBondContact O-N 2.85Å; W461-F472 HydrophobicContact CB-CD1 3.94Å; W461-F472 HydrophobicContact CB-CE1 3.85Å; W461-F472 AromaticContact CD1-CD1 3.8Å; W461-F472 HydrophobicContact CG-CD1 4.14Å; W461-F472 HydrophobicContact CG-CE1 4.49Å; F472-Y474 HydrophobicContact CE2-CD2 4.36Å; F472-N483 HydrophobicContact CZ-CB 4.26Å
473	I	90.1	Very high	84.8	Confident	87 Å²	87	48.4 Å²	48.4	45%	0.446	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119.2	172.4	-54.8	-56.1	0	0	0	108.5	A456	A456-I473 HydrophobicContact CB-CG2 4.06Å
474	Y	84.9	Confident	84.8	Confident	26 Å²	26	47.3 Å²	47.3	10%	0.102	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.8	172.3	177.3	-125.4	0	0	0	110.4	V450 V457 R459 F472 G476 C477 G479 N483	V450-Y474 WeakPolarHBondContact O-CD2 3.23Å; V457-Y474 PolarHBondContact N-O 3.25Å; V457-Y474 PolarHBondContact O-N 2.86Å; R459-Y474 HydrophobicContact CG-CD1 4.3Å; R459-Y474 HydrophobicContact CG-CG 4.33Å; F472-Y474 HydrophobicContact CE2-CD2 4.36Å; Y474-G476 VanDerWaalsContact C-N 3.28Å; Y474-G476 VanDerWaalsContact CE1-C 3.4Å; Y474-G476 VanDerWaalsContact CE1-CA 3.44Å; Y474-G476 WeakPolarHBondContact CE1-O 3.49Å; Y474-G476 PolarHBondContact O-N 2.9Å; Y474-G476 VanDerWaalsContact OH-C 3.27Å; Y474-G476 PolarHBondContact OH-O 3.23Å; Y474-G476 VanDerWaalsContact OH-O 3.11Å; Y474-C477 WeakPolarHBondContact CE2-O 3.49Å; Y474-C477 WeakPolarHBondContact OH-CA 3.22Å; Y474-C477 PolarHBondContact OH-N 2.79Å; Y474-G479 VanDerWaalsContact CE2-CA 3.47Å; Y474-G479 PolarHBondContact OH-N 3.04Å; Y474-N483 WeakPolarHBondContact CD1-ND2 3.02Å; Y474-N483 VanDerWaalsContact CD2-ND2 3.33Å; Y474-N483 WeakPolarHBondContact CD2-ND2 3.04Å; Y474-N483 VanDerWaalsContact CG-ND2 3.29Å
475	T	81	Confident	84.7	Confident	18 Å²	18	50.1 Å²	50.1	11%	0.11	29%	0.289	C	S	.	.			trans	-78.4	-6.9	-174.3	57.6	0	0	0	0	115.4	V450 G451 T452 C453 S455 C477	V450-T475 HydrophobicContact CG1-CG2 3.66Å; V450-T475 VanDerWaalsContact O-CB 3.32Å; V450-T475 WeakPolarHBondContact O-CB 3.45Å; V450-T475 VanDerWaalsContact O-CG2 3.32Å; V450-T475 WeakPolarHBondContact O-CG2 3.21Å; V450-T475 PolarHBondContact O-N 2.78Å; V450-T475 PolarHBondContact O-OG1 2.88Å; G451-T475 VanDerWaalsContact CA-OG1 3.24Å; G451-T475 WeakPolarHBondContact CA-OG1 3.43Å; T452-T475 PolarHBondContact N-OG1 3.43Å; T452-T475 VanDerWaalsContact N-OG1 3.12Å; C453-T475 CarbonylContact C-O 3.56Å; C453-T475 WeakPolarHBondContact CB-O 3.36Å; C453-T475 PolarHBondContact N-OG1 2.95Å; C453-T475 VanDerWaalsContact N-OG1 3.12Å; C453-T475 VanDerWaalsContact O-CB 3.25Å; C453-T475 WeakPolarHBondContact O-CB 3.35Å; C453-T475 WeakPolarHBondContact O-CG2 3.33Å; S455-T475 WeakPolarHBondContact CA-O 3.35Å; S455-T475 VanDerWaalsContact CB-O 3.23Å; S455-T475 WeakPolarHBondContact CB-O 3.48Å; S455-T475 PolarHBondContact N-O 3.12Å; S455-T475 VanDerWaalsContact O-CA 3.24Å; S455-T475 WeakPolarHBondContact O-CA 3.38Å; T475-C477 PolarHBondContact OG1-O 3.12Å
476	G	69.4	Low	85.1	Confident	36 Å²	36	49.1 Å²	49.1	37%	0.371	27%	0.273	S	S	.	.	S	Bend	trans	103.6	-28.3	179.5	0	0	0	0	0	114.6	Y474	Y474-G476 VanDerWaalsContact C-N 3.28Å; Y474-G476 VanDerWaalsContact CE1-C 3.4Å; Y474-G476 VanDerWaalsContact CE1-CA 3.44Å; Y474-G476 WeakPolarHBondContact CE1-O 3.49Å; Y474-G476 PolarHBondContact O-N 2.9Å; Y474-G476 VanDerWaalsContact OH-C 3.27Å; Y474-G476 PolarHBondContact OH-O 3.23Å; Y474-G476 VanDerWaalsContact OH-O 3.11Å
477	C	75.3	Confident	85.1	Confident	33 Å²	33	49.7 Å²	49.7	22%	0.223	27%	0.267	C	S	.	.	S	Bend	trans	-134.9	168.5	176.7	76.2	0	0	0	0	112.5	G451 C453 Y474 T475 G479	G451-C477 VanDerWaalsContact CA-O 3.25Å; G451-C477 WeakPolarHBondContact CA-O 3.37Å; C453-C477 HydrophobicContact CB-CB 3.92Å; C453-C477 WeakPolarHBondContact CB-SG 3.43Å; C453-C477 WeakPolarHBondContact SG-CB 3.15Å; C453-C477 CovalentContact SG-SG 2.03Å; C453-C477 PolarHBondContact SG-SG 2.92Å; Y474-C477 WeakPolarHBondContact CE2-O 3.49Å; Y474-C477 WeakPolarHBondContact OH-CA 3.22Å; Y474-C477 PolarHBondContact OH-N 2.79Å; T475-C477 PolarHBondContact OG1-O 3.12Å; C477-G479 PolarHBondContact O-N 3.05Å
478	N	77.4	Confident	85.1	Confident	104 Å²	104	47.4 Å²	47.4	56%	0.556	27%	0.266	S	S	*	.	S	Bend	trans	55.1	33	174.8	-61.2	-23.4	0	0	0	114.2	L449 G451 T452	L449-N478 WeakPolarHBondContact CD2-O 3.22Å; L449-N478 VanDerWaalsContact CG-O 3.29Å; L449-N478 WeakPolarHBondContact CG-O 3.47Å; G451-N478 WeakPolarHBondContact CA-O 3.47Å; T452-N478 PolarHBondContact OG1-ND2 2.87Å
479	G	78.2	Confident	84.9	Confident	29 Å²	29	48.5 Å²	48.5	30%	0.299	27%	0.267	S	S	.	.			trans	-80.7	-175.1	167	0	0	0	0	0	112.2	Y474 C477	Y474-G479 VanDerWaalsContact CE2-CA 3.47Å; Y474-G479 PolarHBondContact OH-N 3.04Å; C477-G479 PolarHBondContact O-N 3.05Å
480	N	85.9	Confident	84.7	Confident	40 Å²	40	48.2 Å²	48.2	21%	0.214	27%	0.265	C	S	.	.			trans	-125	-179.9	172.1	61.1	2.8	0	0	0	110.5	Q446 N447 L449 N482 N483	Q446-N480 VanDerWaalsContact OE1-CB 3.3Å; N447-N480 PolarHBondContact O-ND2 2.04Å; L449-N480 HydrophobicContact CB-CB 4.22Å; L449-N480 HydrophobicContact CD2-CB 4.17Å; N480-N482 PolarHBondContact O-N 3.29Å; N480-N483 VanDerWaalsContact O-CB 3.26Å; N480-N483 WeakPolarHBondContact O-CB 3.37Å
481	D	89.4	Confident	84.4	Confident	40 Å²	40	47.4 Å²	47.4	21%	0.214	26%	0.262	C	S	.	.	S	Bend	trans	-68.1	-21.9	-171.4	-47.1	-68	0	0	0	113	G406 E407 V443 Q446 N483	G406-D481 WeakPolarHBondContact CA-OD1 3.4Å; E407-D481 PolarHBondContact N-OD1 2.85Å; V443-D481 HydrophobicContact CB-CB 4.39Å; V443-D481 HydrophobicContact CG1-CB 4.05Å; V443-D481 WeakPolarHBondContact CG1-O 3.09Å; V443-D481 HydrophobicContact CG2-CB 3.88Å; Q446-D481 PolarHBondContact NE2-OD2 3.36Å; D481-N483 PolarHBondContact O-N 3.43Å
482	N	92	Very high	84.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.267	C	S	.	.			trans	-77.3	55.9	175	-161.8	0.3	0	0	0	111.8	V443 Q446 W461 Y462 N480 F484	V443-N482 HydrophobicContact CG1-CB 4.5Å; V443-N482 WeakPolarHBondContact O-CB 3.06Å; Q446-N482 HydrophobicContact CB-CB 4.06Å; Q446-N482 PolarHBondContact O-ND2 2.67Å; W461-N482 VanDerWaalsContact CB-O 3.23Å; W461-N482 WeakPolarHBondContact CB-O 3.46Å; Y462-N482 PolarHBondContact N-OD1 3.41Å; Y462-N482 PolarHBondContact O-ND2 3.35Å; N480-N482 PolarHBondContact O-N 3.29Å; N482-F484 WeakPolarHBondContact OD1-CE2 3.32Å
483	N	90.3	Very high	83.8	Confident	22 Å²	22	50 Å²	50	12%	0.118	27%	0.273	C	S	.	.			trans	-143.4	93.6	-173.1	-175.6	-25.8	0	0	0	110.5	R459 F472 Y474 N480 D481	R459-N483 WeakPolarHBondContact CB-OD1 3.27Å; R459-N483 WeakPolarHBondContact CD-OD1 3.4Å; R459-N483 WeakPolarHBondContact CG-OD1 3.36Å; R459-N483 PolarHBondContact NH1-OD1 2.95Å; F472-N483 HydrophobicContact CZ-CB 4.26Å; Y474-N483 WeakPolarHBondContact CD1-ND2 3.02Å; Y474-N483 VanDerWaalsContact CD2-ND2 3.33Å; Y474-N483 WeakPolarHBondContact CD2-ND2 3.04Å; Y474-N483 VanDerWaalsContact CG-ND2 3.29Å; N480-N483 VanDerWaalsContact O-CB 3.26Å; N480-N483 WeakPolarHBondContact O-CB 3.37Å; D481-N483 PolarHBondContact O-N 3.43Å
484	F	87.5	Confident	83.7	Confident	1 Å²	1	45.9 Å²	45.9	0%	0.004	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-99.7	147.6	-176.6	-57.6	-93.3	0	0	0	111.4	Q405 V443 R459 F460 N482 K489 C490 F493	Q405-F484 HydrophobicContact CG-CD1 4.26Å; Q405-F484 HydrophobicContact CG-CE1 3.61Å; Q405-F484 HydrophobicContact CG-CZ 4.35Å; V443-F484 HydrophobicContact CG1-CZ 4.39Å; R459-F484 WeakPolarHBondContact CA-O 3.29Å; R459-F484 WeakPolarHBondContact CB-O 3.5Å; R459-F484 WeakPolarHBondContact CD-O 3.41Å; F460-F484 HydrophobicContact CB-CB 4.28Å; F460-F484 PolarHBondContact N-O 2.73Å; F460-F484 WeakPolarHBondContact O-CD2 3.35Å; F460-F484 PolarHBondContact O-N 3.41Å; N482-F484 WeakPolarHBondContact OD1-CE2 3.32Å; F484-K489 HydrophobicContact CD1-CB 4.11Å; F484-C490 HydrophobicContact CB-CB 3.79Å; F484-C490 VanDerWaalsContact CD1-CA 3.49Å; F484-C490 HydrophobicContact CD1-CB 4.1Å; F484-C490 HydrophobicContact CD2-CB 3.51Å; F484-C490 HydrophobicContact CE2-CB 4.05Å; F484-C490 VanDerWaalsContact CG-CA 3.49Å; F484-C490 HydrophobicContact CG-CB 3.54Å; F484-F493 HydrophobicContact CE1-CB 3.66Å; F484-F493 HydrophobicContact CE1-CD1 4.07Å; F484-F493 AromaticContact CE1-CG 3.95Å; F484-F493 HydrophobicContact CE1-CG 3.95Å; F484-F493 HydrophobicContact CZ-CB 4.05Å; F484-F493 AromaticContact CZ-CD1 3.81Å; F484-F493 HydrophobicContact CZ-CD1 3.81Å; F484-F493 HydrophobicContact CZ-CG 4.15Å
485	D	79.8	Confident	83.5	Confident	82 Å²	82	53.5 Å²	53.5	44%	0.439	28%	0.28	S	S	.	.	S	Bend	trans	-72.9	-28.9	176.3	63.2	-23.2	0	0	0	113.3	K489	D485-K489 VanDerWaalsContact CG-NZ 3.28Å; D485-K489 WeakPolarHBondContact OD1-CD 3.16Å; D485-K489 WeakPolarHBondContact OD1-CE 3.47Å; D485-K489 IonicContact OD1-NZ 3.82Å; D485-K489 PolarHBondContact OD1-NZ 3.28Å; D485-K489 WeakPolarHBondContact OD2-CE 3.28Å; D485-K489 IonicContact OD2-NZ 2.69Å; D485-K489 PolarHBondContact OD2-NZ 2.88Å
486	N	83.5	Confident	83.3	Confident	55 Å²	55	58.2 Å²	58.2	29%	0.294	31%	0.305	S	S	.	.	S	Bend	trans	-147.8	160.1	176.3	66.8	74.9	0	0	0	112.9	F460 I488 K489 C490	F460-N486 VanDerWaalsContact CD2-C 3.47Å; N486-I488 VanDerWaalsContact C-N 3.3Å; N486-I488 PolarHBondContact O-N 2.8Å; N486-I488 WeakPolarHBondContact OD1-CA 3.4Å; N486-I488 WeakPolarHBondContact OD1-CB 3.45Å; N486-I488 PolarHBondContact OD1-N 3.05Å; N486-I488 VanDerWaalsContact OD1-N 3.08Å; N486-K489 PolarHBondContact O-N 3.39Å; N486-K489 PolarHBondContact OD1-N 2.78Å; N486-C490 PolarHBondContact O-N 3.24Å
487	Y	84	Confident	83.5	Confident	92 Å²	92	57.4 Å²	57.4	36%	0.361	29%	0.291	S	S	.	.	H	α-helix	trans	-55.5	-39.6	179.4	179.4	-94.1	0	0	0	113.3	F460 D468 C469 C490 I491	F460-Y487 HydrophobicContact CD1-CD2 4.09Å; F460-Y487 VanDerWaalsContact CD2-N 3.34Å; F460-Y487 HydrophobicContact CE1-CD2 4.19Å; F460-Y487 HydrophobicContact CE1-CG 4.45Å; D468-Y487 PolarHBondContact OD1-OH 3.27Å; C469-Y487 HydrophobicContact CB-CD2 3.59Å; C469-Y487 HydrophobicContact CB-CE2 3.59Å; C469-Y487 WeakPolarHBondContact O-CD2 3.33Å; C469-Y487 WeakPolarHBondContact O-CE2 3.18Å; Y487-C490 WeakPolarHBondContact O-CB 2.97Å; Y487-C490 PolarHBondContact O-N 3.35Å; Y487-I491 HydrophobicContact CD1-CG2 4.28Å; Y487-I491 HydrophobicContact CE1-CB 4.35Å; Y487-I491 HydrophobicContact CE1-CG2 4Å; Y487-I491 WeakPolarHBondContact O-CG2 3.41Å; Y487-I491 PolarHBondContact O-N 2.04Å
488	I	80.7	Confident	83.3	Confident	110 Å²	110	59.2 Å²	59.2	56%	0.564	30%	0.301	S	S	*	.	H	α-helix	trans	-65.1	-45.9	-177.5	-58.3	-63.6	0	0	0	110.9	N486 C490 I491 T492	N486-I488 VanDerWaalsContact C-N 3.3Å; N486-I488 PolarHBondContact O-N 2.8Å; N486-I488 WeakPolarHBondContact OD1-CA 3.4Å; N486-I488 WeakPolarHBondContact OD1-CB 3.45Å; N486-I488 PolarHBondContact OD1-N 3.05Å; N486-I488 VanDerWaalsContact OD1-N 3.08Å; I488-C490 VanDerWaalsContact C-N 3.33Å; I488-C490 PolarHBondContact O-N 2.03Å; I488-I491 PolarHBondContact O-N 2.96Å; I488-T492 VanDerWaalsContact O-CB 3.23Å; I488-T492 WeakPolarHBondContact O-CB 3.03Å; I488-T492 PolarHBondContact O-N 3.13Å; I488-T492 PolarHBondContact O-OG1 3.17Å; I488-T492 VanDerWaalsContact O-OG1 3.04Å
489	K	82.7	Confident	83.1	Confident	94 Å²	94	57.2 Å²	57.2	41%	0.409	29%	0.285	S	S	.	.	H	α-helix	trans	-61.6	-42.7	174.6	-69.9	-160.4	-159.2	151.8	0	111.8	F484 D485 N486 F493	F484-K489 HydrophobicContact CD1-CB 4.11Å; D485-K489 VanDerWaalsContact CG-NZ 3.28Å; D485-K489 WeakPolarHBondContact OD1-CD 3.16Å; D485-K489 WeakPolarHBondContact OD1-CE 3.47Å; D485-K489 IonicContact OD1-NZ 3.82Å; D485-K489 PolarHBondContact OD1-NZ 3.28Å; D485-K489 WeakPolarHBondContact OD2-CE 3.28Å; D485-K489 IonicContact OD2-NZ 2.69Å; D485-K489 PolarHBondContact OD2-NZ 2.88Å; N486-K489 PolarHBondContact O-N 3.39Å; N486-K489 PolarHBondContact OD1-N 2.78Å; K489-F493 WeakPolarHBondContact O-CB 3.16Å; K489-F493 PolarHBondContact O-N 2.83Å
490	C	87.8	Confident	83	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.2	-54.2	176.6	-179.7	0	0	0	0	111.7	F460 C469 F484 N486 Y487 I488 F493 C494	F460-C490 HydrophobicContact CB-CB 4.07Å; C469-C490 HydrophobicContact CB-CB 3.74Å; C469-C490 WeakPolarHBondContact CB-SG 3.29Å; C469-C490 WeakPolarHBondContact SG-CB 3.47Å; C469-C490 CovalentContact SG-SG 2.03Å; C469-C490 PolarHBondContact SG-SG 3.49Å; F484-C490 HydrophobicContact CB-CB 3.79Å; F484-C490 VanDerWaalsContact CD1-CA 3.49Å; F484-C490 HydrophobicContact CD1-CB 4.1Å; F484-C490 HydrophobicContact CD2-CB 3.51Å; F484-C490 HydrophobicContact CE2-CB 4.05Å; F484-C490 VanDerWaalsContact CG-CA 3.49Å; F484-C490 HydrophobicContact CG-CB 3.54Å; N486-C490 PolarHBondContact O-N 3.24Å; Y487-C490 WeakPolarHBondContact O-CB 2.97Å; Y487-C490 PolarHBondContact O-N 3.35Å; I488-C490 VanDerWaalsContact C-N 3.33Å; I488-C490 PolarHBondContact O-N 2.03Å; C490-F493 PolarHBondContact O-N 3.27Å; C490-C494 WeakPolarHBondContact O-CB 3.05Å; C490-C494 PolarHBondContact O-N 2.82Å
491	I	87.3	Confident	82.8	Confident	38 Å²	38	57.6 Å²	57.6	20%	0.195	28%	0.277	C	S	.	.	H	α-helix	trans	-72.5	-40.1	-175.2	-162.2	63.5	0	0	0	111.1	C469 Y487 I488 F493 C494 R495	C469-I491 PolarHBondContact SG-N 3.37Å; Y487-I491 HydrophobicContact CD1-CG2 4.28Å; Y487-I491 HydrophobicContact CE1-CB 4.35Å; Y487-I491 HydrophobicContact CE1-CG2 4Å; Y487-I491 WeakPolarHBondContact O-CG2 3.41Å; Y487-I491 PolarHBondContact O-N 2.04Å; I488-I491 PolarHBondContact O-N 2.96Å; I491-F493 VanDerWaalsContact C-N 3.29Å; I491-F493 PolarHBondContact O-N 2.87Å; I491-C494 PolarHBondContact O-N 3.25Å; I491-R495 WeakPolarHBondContact O-CA 3.05Å; I491-R495 WeakPolarHBondContact O-CB 3.36Å; I491-R495 PolarHBondContact O-N 3.08Å
492	T	85.4	Confident	82.5	Confident	103 Å²	103	59 Å²	59	63%	0.632	29%	0.29	S	S	*	.	H	α-helix	trans	-61.1	-38.5	176	-64.6	0	0	0	0	111.7	I488	I488-T492 VanDerWaalsContact O-CB 3.23Å; I488-T492 WeakPolarHBondContact O-CB 3.03Å; I488-T492 PolarHBondContact O-N 3.13Å; I488-T492 PolarHBondContact O-OG1 3.17Å; I488-T492 VanDerWaalsContact O-OG1 3.04Å
493	F	86.7	Confident	82.2	Confident	40 Å²	40	60.1 Å²	60.1	18%	0.175	30%	0.298	C	S	.	.	H	α-helix	trans	-72.5	-48.5	175.4	-170.2	-89	0	0	0	111.7	D404 Q405 K440 V443 F484 K489 C490 I491	D404-F493 HydrophobicContact CB-CE2 4.21Å; Q405-F493 HydrophobicContact CB-CD2 4.25Å; Q405-F493 HydrophobicContact CB-CE1 4.41Å; Q405-F493 HydrophobicContact CB-CE2 3.8Å; Q405-F493 HydrophobicContact CB-CZ 3.9Å; Q405-F493 HydrophobicContact CG-CD1 4.36Å; Q405-F493 HydrophobicContact CG-CD2 3.67Å; Q405-F493 HydrophobicContact CG-CE1 4.45Å; Q405-F493 HydrophobicContact CG-CE2 3.76Å; Q405-F493 HydrophobicContact CG-CG 3.99Å; Q405-F493 HydrophobicContact CG-CZ 4.17Å; K440-F493 HydrophobicContact CB-CE1 4.23Å; K440-F493 HydrophobicContact CB-CZ 4.42Å; K440-F493 WeakPolarHBondContact CD-O 3.42Å; K440-F493 WeakPolarHBondContact CE-O 3.43Å; K440-F493 HydrophobicContact CG-CE1 4.34Å; K440-F493 PolarHBondContact NZ-O 3.47Å; V443-F493 HydrophobicContact CB-CE1 3.8Å; V443-F493 HydrophobicContact CB-CZ 4.36Å; V443-F493 HydrophobicContact CG1-CD1 4.46Å; V443-F493 HydrophobicContact CG1-CE1 3.85Å; V443-F493 HydrophobicContact CG2-CE1 4.16Å; V443-F493 HydrophobicContact CG2-CZ 4.21Å; F484-F493 HydrophobicContact CE1-CB 3.66Å; F484-F493 HydrophobicContact CE1-CD1 4.07Å; F484-F493 AromaticContact CE1-CG 3.95Å; F484-F493 HydrophobicContact CE1-CG 3.95Å; F484-F493 HydrophobicContact CZ-CB 4.05Å; F484-F493 AromaticContact CZ-CD1 3.81Å; F484-F493 HydrophobicContact CZ-CD1 3.81Å; F484-F493 HydrophobicContact CZ-CG 4.15Å; K489-F493 WeakPolarHBondContact O-CB 3.16Å; K489-F493 PolarHBondContact O-N 2.83Å; C490-F493 PolarHBondContact O-N 3.27Å; I491-F493 VanDerWaalsContact C-N 3.29Å; I491-F493 PolarHBondContact O-N 2.87Å
494	C	89.3	Confident	82	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-93.3	-11.1	-170.7	-67.3	0	0	0	0	116.9	K440 C444 Y462 C490 I491 D496 F497	K440-C494 WeakPolarHBondContact CE-O 3.23Å; C444-C494 HydrophobicContact CB-CB 3.9Å; C444-C494 WeakPolarHBondContact CB-SG 3.45Å; C444-C494 WeakPolarHBondContact SG-CA 3.39Å; C444-C494 WeakPolarHBondContact SG-CB 3Å; C444-C494 CovalentContact SG-SG 2.04Å; C444-C494 PolarHBondContact SG-SG 3.24Å; Y462-C494 WeakPolarHBondContact CB-SG 3.4Å; Y462-C494 HydrophobicContact CD1-CB 3.99Å; Y462-C494 HydrophobicContact CD2-CB 3.3Å; Y462-C494 HydrophobicContact CE1-CB 4.44Å; Y462-C494 HydrophobicContact CE2-CB 3.83Å; Y462-C494 HydrophobicContact CG-CB 3.36Å; C490-C494 WeakPolarHBondContact O-CB 3.05Å; C490-C494 PolarHBondContact O-N 2.82Å; I491-C494 PolarHBondContact O-N 3.25Å; C494-D496 PolarHBondContact O-N 2.81Å; C494-D496 VanDerWaalsContact O-N 3.15Å; C494-F497 WeakPolarHBondContact O-CA 3.22Å; C494-F497 WeakPolarHBondContact O-CB 3.23Å; C494-F497 PolarHBondContact O-N 2.92Å
495	R	80.1	Confident	82	Confident	187 Å²	187	63.3 Å²	63.3	71%	0.706	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38.9	-60.5	-172.8	-178.3	176.1	-175.1	171.9	1.1	115.1	I491 F497	I491-R495 WeakPolarHBondContact O-CA 3.05Å; I491-R495 WeakPolarHBondContact O-CB 3.36Å; I491-R495 PolarHBondContact O-N 3.08Å; R495-F497 PolarHBondContact O-N 3.39Å
496	D	75.6	Confident	82.4	Confident	117 Å²	117	60.7 Å²	60.7	63%	0.626	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	29.1	-178.9	-32.9	-77.6	0	0	0	113.9	K440 C494 V498	K440-D496 IonicContact NZ-OD2 3.47Å; K440-D496 PolarHBondContact NZ-OD2 3.27Å; C494-D496 PolarHBondContact O-N 2.81Å; C494-D496 VanDerWaalsContact O-N 3.15Å; D496-V498 PolarHBondContact O-N 3.41Å
497	F	74.6	Confident	82.4	Confident	18 Å²	18	62 Å²	62	8%	0.079	32%	0.316	C	S	.	.			trans	-67.2	117.3	177.2	169.7	-98.2	0	0	0	110.6	C444 Y462 A464 C494 R495 R499	C444-F497 HydrophobicContact CB-CB 4.19Å; C444-F497 HydrophobicContact CB-CD2 3.47Å; C444-F497 VanDerWaalsContact CB-CD2 3.47Å; C444-F497 HydrophobicContact CB-CE2 3.93Å; C444-F497 HydrophobicContact CB-CG 3.87Å; Y462-F497 HydrophobicContact CD1-CD1 4.37Å; Y462-F497 HydrophobicContact CE1-CB 3.94Å; Y462-F497 AromaticContact CE1-CD1 3.47Å; Y462-F497 HydrophobicContact CE1-CD1 3.47Å; Y462-F497 VanDerWaalsContact CE1-CD1 3.47Å; Y462-F497 HydrophobicContact CE1-CE1 4.15Å; Y462-F497 AromaticContact CE1-CG 3.88Å; Y462-F497 HydrophobicContact CE1-CG 3.88Å; A464-F497 HydrophobicContact CB-CE1 3.73Å; A464-F497 HydrophobicContact CB-CZ 4.26Å; C494-F497 WeakPolarHBondContact O-CA 3.22Å; C494-F497 WeakPolarHBondContact O-CB 3.23Å; C494-F497 PolarHBondContact O-N 2.92Å; R495-F497 PolarHBondContact O-N 3.39Å; F497-R499 VanDerWaalsContact CE1-CA 3.49Å; F497-R499 HydrophobicContact CE1-CB 3.89Å
498	V	71.8	Confident	82.6	Confident	71 Å²	71	57.7 Å²	57.7	43%	0.43	30%	0.3	S	S	.	.			trans	-88.1	110.5	170.4	-178.1	0	0	0	0	108.1	D496 K500	D496-V498 PolarHBondContact O-N 3.41Å; V498-K500 PolarHBondContact O-N 3.18Å
499	R	71.5	Confident	83	Confident	62 Å²	62	53 Å²	53	23%	0.234	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-56.3	127	173.1	176.7	171.7	164.3	167.9	-7.4	110.1	F497 D537 A539 I540	F497-R499 VanDerWaalsContact CE1-CA 3.49Å; F497-R499 HydrophobicContact CE1-CB 3.89Å; R499-D537 IonicContact CZ-OD2 2.76Å; R499-D537 IonicContact NE-OD2 2.74Å; R499-D537 IonicContact NH2-OD1 3.62Å; R499-D537 PolarHBondContact NH2-OD1 3.06Å; R499-D537 IonicContact NH2-OD2 3.39Å; R499-D537 PolarHBondContact NH2-OD2 2.83Å; R499-A539 VanDerWaalsContact CZ-CB 3.45Å; R499-I540 HydrophobicContact CB-CD1 4.28Å; R499-I540 HydrophobicContact CG-CD1 4.17Å; R499-I540 WeakPolarHBondContact O-CD1 3.42Å
500	K	77.4	Confident	82.9	Confident	74 Å²	74	50.9 Å²	50.9	32%	0.322	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-65.4	128.4	169.6	176.6	179.8	-170.9	-176.1	0	109.6	V498 S502 E507 Y516	V498-K500 PolarHBondContact O-N 3.18Å; K500-S502 PolarHBondContact O-N 3.11Å; K500-E507 WeakPolarHBondContact CE-OE1 3.31Å; K500-E507 VanDerWaalsContact NZ-CD 3.35Å; K500-E507 IonicContact NZ-OE1 3.26Å; K500-E507 PolarHBondContact NZ-OE1 2.83Å; K500-Y516 HydrophobicContact CB-CD2 4.33Å; K500-Y516 HydrophobicContact CB-CE1 4.49Å; K500-Y516 HydrophobicContact CB-CE2 3.71Å; K500-Y516 HydrophobicContact CD-CE1 4.4Å; K500-Y516 WeakPolarHBondContact CD-OH 3.36Å; K500-Y516 HydrophobicContact CG-CE1 3.84Å; K500-Y516 HydrophobicContact CG-CE2 3.96Å
501	P	80.6	Confident	82.2	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.019	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-62.8	130.9	170	-18.2	29.1	0	0	0	110.6	C503 A508 I540	P501-C503 PolarHBondContact O-N 2.89Å; P501-A508 HydrophobicContact CB-CB 3.9Å; P501-A508 HydrophobicContact CG-CB 3.91Å; P501-I540 HydrophobicContact CB-CD1 4.17Å; P501-I540 HydrophobicContact CB-CG1 4.24Å; P501-I540 HydrophobicContact CG-CD1 3.78Å; P501-I540 HydrophobicContact CG-CG1 4.3Å
502	S	83.2	Confident	81.4	Confident	69 Å²	69	58.3 Å²	58.3	48%	0.483	32%	0.317	S	S	.	.			trans	-82.5	108	-176.5	-37.7	0	0	0	0	110.9	K500 D537	K500-S502 PolarHBondContact O-N 3.11Å; S502-D537 WeakPolarHBondContact CB-OD2 3.43Å; S502-D537 PolarHBondContact N-OD2 3.15Å; S502-D537 PolarHBondContact OG-OD2 2.82Å
503	C	86.3	Confident	80.3	Confident	24 Å²	24	56.7 Å²	56.7	16%	0.162	32%	0.322	C	S	.	.			trans	-89.3	147.4	176.9	-60.6	0	0	0	0	111.8	P501 Q505 A508 C544	P501-C503 PolarHBondContact O-N 2.89Å; C503-Q505 PolarHBondContact O-N 2.85Å; C503-A508 VanDerWaalsContact SG-CA 3.56Å; C503-C544 WeakPolarHBondContact CA-SG 3.35Å; C503-C544 HydrophobicContact CB-CB 3.72Å; C503-C544 WeakPolarHBondContact CB-SG 3.49Å; C503-C544 WeakPolarHBondContact SG-CA 3.36Å; C503-C544 WeakPolarHBondContact SG-CB 3.02Å; C503-C544 CovalentContact SG-SG 2.04Å; C503-C544 PolarHBondContact SG-SG 3.41Å
504	P	85.8	Confident	79.3	Confident	80 Å²	80	56.8 Å²	56.8	52%	0.519	33%	0.334	S	S	.	.	S	Bend	trans	-56.7	-31.1	175.1	-25.9	34.9	0	0	0	113.4	L535 R597 Y601	P504-L535 HydrophobicContact CG-CD1 3.85Å; P504-R597 PolarHBondContact O-NH2 2.02Å; P504-Y601 HydrophobicContact CB-CE2 4.38Å
505	Q	88.2	Confident	78.3	Confident	10 Å²	10	63 Å²	63	5%	0.047	36%	0.361	C	S	.	.	S	Bend	trans	-154.4	141.4	176.2	-173.7	59.2	29.6	0	0	110.1	C503 T550 S589 N591 F592 R597 Y601	C503-Q505 PolarHBondContact O-N 2.85Å; Q505-T550 HydrophobicContact CG-CG2 4.02Å; Q505-S589 WeakPolarHBondContact CG-O 3.45Å; Q505-S589 PolarHBondContact NE2-O 3.05Å; Q505-N591 PolarHBondContact NE2-O 2.94Å; Q505-F592 HydrophobicContact CG-CD1 4.36Å; Q505-F592 HydrophobicContact CG-CE1 3.61Å; Q505-F592 HydrophobicContact CG-CZ 4.16Å; Q505-R597 VanDerWaalsContact OE1-NE 3.12Å; Q505-Y601 HydrophobicContact CB-CD1 4.4Å; Q505-Y601 HydrophobicContact CB-CD2 3.98Å; Q505-Y601 HydrophobicContact CB-CE1 3.91Å; Q505-Y601 HydrophobicContact CB-CE2 3.44Å; Q505-Y601 VanDerWaalsContact CB-CE2 3.44Å; Q505-Y601 HydrophobicContact CB-CG 4.42Å; Q505-Y601 HydrophobicContact CG-CD1 4.21Å; Q505-Y601 HydrophobicContact CG-CD2 4.48Å; Q505-Y601 HydrophobicContact CG-CE1 3.96Å; Q505-Y601 HydrophobicContact CG-CE2 4.27Å; Q505-Y601 HydrophobicContact CG-CG 4.46Å
506	G	87.1	Confident	78.3	Confident	28 Å²	28	55.2 Å²	55.2	29%	0.289	33%	0.331	S	S	.	.	S	Bend	trans	76.3	-172	-178.6	0	0	0	0	0	114.9
507	E	85.1	Confident	78.5	Confident	81 Å²	81	53.3 Å²	53.3	38%	0.379	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-95.4	149.2	175.2	-57.1	-139.8	128.9	0	0	112	K500 K510 P545	K500-E507 WeakPolarHBondContact CE-OE1 3.31Å; K500-E507 VanDerWaalsContact NZ-CD 3.35Å; K500-E507 IonicContact NZ-OE1 3.26Å; K500-E507 PolarHBondContact NZ-OE1 2.83Å; E507-K510 VanDerWaalsContact OE2-CE 3.29Å; E507-K510 WeakPolarHBondContact OE2-CE 3.01Å; E507-K510 IonicContact OE2-NZ 2.73Å; E507-K510 PolarHBondContact OE2-NZ 3.44Å; E507-P545 VanDerWaalsContact O-CD 3.24Å; E507-P545 WeakPolarHBondContact O-CD 3.46Å; E507-P545 VanDerWaalsContact O-CG 3.25Å; E507-P545 WeakPolarHBondContact O-CG 2.97Å
508	A	87.5	Confident	78.7	Confident	3 Å²	3	56.8 Å²	56.8	3%	0.025	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-63.8	148.7	167.1	0	0	0	0	0	111.4	P501 C503 Y516 C543	P501-A508 HydrophobicContact CB-CB 3.9Å; P501-A508 HydrophobicContact CG-CB 3.91Å; C503-A508 VanDerWaalsContact SG-CA 3.56Å; A508-Y516 HydrophobicContact CB-CD1 3.73Å; A508-Y516 HydrophobicContact CB-CE1 4.17Å; A508-Y516 WeakPolarHBondContact O-CD1 3.39Å; A508-Y516 WeakPolarHBondContact O-CE1 3.14Å; A508-C543 CarbonylContact C-O 3.57Å; A508-C543 WeakPolarHBondContact CA-O 3.32Å
509	D	88	Confident	79.2	Confident	11 Å²	11	54 Å²	54	6%	0.059	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-64	140.9	-174.4	-154.9	18.7	0	0	0	112	Y516 Y517 R529 F532 C543	D509-Y516 CarbonylContact O-C 3.53Å; D509-Y516 VanDerWaalsContact O-CA 3.29Å; D509-Y516 WeakPolarHBondContact O-CA 3.21Å; D509-Y517 HydrophobicContact CB-CD2 3.9Å; D509-Y517 PolarHBondContact O-N 2.88Å; D509-R529 VanDerWaalsContact CG-NH2 3.33Å; D509-R529 IonicContact OD1-CZ 3.25Å; D509-R529 IonicContact OD1-NE 2.81Å; D509-R529 PolarHBondContact OD1-NE 3.21Å; D509-R529 IonicContact OD1-NH2 3.68Å; D509-R529 PolarHBondContact OD1-NH2 3.33Å; D509-R529 IonicContact OD2-CZ 2.68Å; D509-R529 IonicContact OD2-NE 3.72Å; D509-R529 PolarHBondContact OD2-NE 2.83Å; D509-R529 IonicContact OD2-NH2 3.37Å; D509-R529 PolarHBondContact OD2-NH2 3.16Å; D509-F532 HydrophobicContact CB-CD1 3.55Å; D509-F532 HydrophobicContact CB-CE1 3.56Å; D509-F532 HydrophobicContact CB-CG 4.07Å; D509-F532 HydrophobicContact CB-CZ 4.09Å; D509-F532 WeakPolarHBondContact OD1-CZ 3.44Å; D509-C543 HydrophobicContact CB-CB 3.76Å; D509-C543 PolarHBondContact N-O 2.81Å
510	K	80.6	Confident	79.4	Confident	50 Å²	50	53 Å²	53	22%	0.217	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-122.4	142.4	-178.1	-62.2	173.4	-166.7	165.4	0	112.2	E507 K515 Y516 Y517 R529	E507-K510 VanDerWaalsContact OE2-CE 3.29Å; E507-K510 WeakPolarHBondContact OE2-CE 3.01Å; E507-K510 IonicContact OE2-NZ 2.73Å; E507-K510 PolarHBondContact OE2-NZ 3.44Å; K510-K515 CarbonylContact C-O 3.56Å; K510-K515 VanDerWaalsContact CA-O 3.32Å; K510-K515 WeakPolarHBondContact CA-O 3.44Å; K510-Y516 HydrophobicContact CD-CE1 4.06Å; K510-Y516 VanDerWaalsContact CE-CZ 3.45Å; K510-Y516 WeakPolarHBondContact CE-OH 3.05Å; K510-Y516 HydrophobicContact CG-CD1 3.69Å; K510-Y516 HydrophobicContact CG-CE1 3.71Å; K510-Y516 HydrophobicContact CG-CG 4.44Å; K510-Y517 VanDerWaalsContact C-CE2 3.44Å; K510-Y517 WeakPolarHBondContact O-CE2 3.26Å; K510-R529 PolarHBondContact O-NH2 3.25Å
511	D	74.8	Confident	79	Confident	53 Å²	53	53.8 Å²	53.8	28%	0.283	34%	0.336	S	S	.	.			trans	-71.2	177.5	168.7	71.3	16.9	0	0	0	112	G513 G514 K515 Y517	D511-G513 PolarHBondContact O-N 2.82Å; D511-G513 VanDerWaalsContact O-N 3.17Å; D511-G513 VanDerWaalsContact OD1-C 3.31Å; D511-G513 VanDerWaalsContact OD1-CA 3.27Å; D511-G513 WeakPolarHBondContact OD1-CA 3.27Å; D511-G513 PolarHBondContact OD1-N 3.46Å; D511-G514 PolarHBondContact O-N 3.24Å; D511-G514 PolarHBondContact OD1-N 3.31Å; D511-G514 VanDerWaalsContact OD1-N 3.09Å; D511-K515 PolarHBondContact N-O 2.03Å; D511-K515 PolarHBondContact OD1-N 2.96Å; D511-Y517 HydrophobicContact CB-CE1 4.38Å; D511-Y517 HydrophobicContact CB-CE2 4.06Å
512	S	70.1	Confident	78	Confident	140 Å²	140	59.7 Å²	59.7	98%	0.979	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-10.9	178.4	50.9	0	0	0	0	114.4
513	G	61.7	Low	76.5	Confident	70 Å²	70	59.4 Å²	59.4	72%	0.722	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	4.6	171.6	0	0	0	0	0	113.6	D511 K515	D511-G513 PolarHBondContact O-N 2.82Å; D511-G513 VanDerWaalsContact O-N 3.17Å; D511-G513 VanDerWaalsContact OD1-C 3.31Å; D511-G513 VanDerWaalsContact OD1-CA 3.27Å; D511-G513 WeakPolarHBondContact OD1-CA 3.27Å; D511-G513 PolarHBondContact OD1-N 3.46Å; G513-K515 VanDerWaalsContact C-N 3.3Å; G513-K515 PolarHBondContact O-N 3.48Å
514	G	65.3	Low	74.6	Confident	42 Å²	42	62 Å²	62	43%	0.433	41%	0.411	S	S	.	.	S	Bend	trans	79.2	5.9	-178.9	0	0	0	0	0	114.7	D511	D511-G514 PolarHBondContact O-N 3.24Å; D511-G514 PolarHBondContact OD1-N 3.31Å; D511-G514 VanDerWaalsContact OD1-N 3.09Å
515	K	68.4	Low	72.8	Confident	129 Å²	129	67.9 Å²	67.9	56%	0.561	42%	0.424	S	S	*	.			trans	-83.6	135.1	178.5	-179.9	-175.8	176	-175.2	0	110.2	K510 D511 G513	K510-K515 CarbonylContact C-O 3.56Å; K510-K515 VanDerWaalsContact CA-O 3.32Å; K510-K515 WeakPolarHBondContact CA-O 3.44Å; D511-K515 PolarHBondContact N-O 2.03Å; D511-K515 PolarHBondContact OD1-N 2.96Å; G513-K515 VanDerWaalsContact C-N 3.3Å; G513-K515 PolarHBondContact O-N 3.48Å
516	Y	79.7	Confident	71.2	Confident	24 Å²	24	72.9 Å²	72.9	9%	0.094	45%	0.451	C	S	.	.	B	Isolated β-bridge	trans	-65.8	135.6	179.2	-64.2	-74.3	0	0	0	112.5	K500 A508 D509 K510 T518	K500-Y516 HydrophobicContact CB-CD2 4.33Å; K500-Y516 HydrophobicContact CB-CE1 4.49Å; K500-Y516 HydrophobicContact CB-CE2 3.71Å; K500-Y516 HydrophobicContact CD-CE1 4.4Å; K500-Y516 WeakPolarHBondContact CD-OH 3.36Å; K500-Y516 HydrophobicContact CG-CE1 3.84Å; K500-Y516 HydrophobicContact CG-CE2 3.96Å; A508-Y516 HydrophobicContact CB-CD1 3.73Å; A508-Y516 HydrophobicContact CB-CE1 4.17Å; A508-Y516 WeakPolarHBondContact O-CD1 3.39Å; A508-Y516 WeakPolarHBondContact O-CE1 3.14Å; D509-Y516 CarbonylContact O-C 3.53Å; D509-Y516 VanDerWaalsContact O-CA 3.29Å; D509-Y516 WeakPolarHBondContact O-CA 3.21Å; K510-Y516 HydrophobicContact CD-CE1 4.06Å; K510-Y516 VanDerWaalsContact CE-CZ 3.45Å; K510-Y516 WeakPolarHBondContact CE-OH 3.05Å; K510-Y516 HydrophobicContact CG-CD1 3.69Å; K510-Y516 HydrophobicContact CG-CE1 3.71Å; K510-Y516 HydrophobicContact CG-CG 4.44Å; Y516-T518 PolarHBondContact O-N 3.22Å
517	Y	81.1	Confident	70.7	Confident	77 Å²	77	77.4 Å²	77.4	30%	0.302	47%	0.465	S	S	.	.			trans	-69.8	109	170.1	-76.2	-76.5	0	0	0	110.2	D509 K510 D511 G542 C543	D509-Y517 HydrophobicContact CB-CD2 3.9Å; D509-Y517 PolarHBondContact O-N 2.88Å; K510-Y517 VanDerWaalsContact C-CE2 3.44Å; K510-Y517 WeakPolarHBondContact O-CE2 3.26Å; D511-Y517 HydrophobicContact CB-CE1 4.38Å; D511-Y517 HydrophobicContact CB-CE2 4.06Å; Y517-G542 WeakPolarHBondContact O-CA 3.21Å; Y517-C543 PolarHBondContact O-N 2.82Å; Y517-C543 VanDerWaalsContact O-N 3.12Å
518	T	78.8	Confident	70.5	Confident	92 Å²	92	74.3 Å²	74.3	56%	0.564	45%	0.452	S	S	*	.			trans	-81.7	139.2	164	54.5	0	0	0	0	109.8	Y516 Y541	Y516-T518 PolarHBondContact O-N 3.22Å; T518-Y541 WeakPolarHBondContact CA-O 3.46Å
519	C	82	Confident	70.4	Confident	12 Å²	12	79.3 Å²	79.3	8%	0.081	47%	0.47	C	S	.	.			trans	-124.3	178.7	-179.7	57.7	0	0	0	0	111.5	Q527 C534 Y541	C519-Q527 HydrophobicContact CB-CB 4.4Å; C519-C534 HydrophobicContact CB-CB 3.83Å; C519-C534 WeakPolarHBondContact CB-SG 3.4Å; C519-C534 WeakPolarHBondContact SG-CA 3.21Å; C519-C534 WeakPolarHBondContact SG-CB 3.19Å; C519-C534 CovalentContact SG-SG 2.03Å; C519-C534 PolarHBondContact SG-SG 3.17Å; C519-Y541 PolarHBondContact N-O 2.93Å; C519-Y541 WeakPolarHBondContact O-CB 3.42Å
520	S	76.3	Confident	69.6	Low	42 Å²	42	84.3 Å²	84.3	29%	0.294	50%	0.503	S	S	.	.			trans	-142.9	140.7	170.9	179.9	0	0	0	0	110	T522	S520-T522 PolarHBondContact OG-N 2.68Å; S520-T522 VanDerWaalsContact OG-N 3.16Å; S520-T522 PolarHBondContact OG-OG1 2.93Å
521	V	67.8	Low	69.5	Low	90 Å²	90	85.7 Å²	85.7	55%	0.545	51%	0.513	S	S	.	.	S	Bend	trans	-82.1	-17.8	170.5	-74.9	0	0	0	0	112.6	G523 Y541	V521-G523 PolarHBondContact O-N 3.22Å; V521-G523 VanDerWaalsContact O-N 3.11Å; V521-Y541 HydrophobicContact CB-CE1 4.49Å; V521-Y541 HydrophobicContact CG1-CE1 4.14Å; V521-Y541 HydrophobicContact CG2-CE1 3.64Å
522	T	60.8	Low	70.1	Confident	127 Å²	127	84.5 Å²	84.5	78%	0.779	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	83.7	176.2	-19.4	0	0	0	0	109.4	S520	S520-T522 PolarHBondContact OG-N 2.68Å; S520-T522 VanDerWaalsContact OG-N 3.16Å; S520-T522 PolarHBondContact OG-OG1 2.93Å
523	G	51.1	Low	70.7	Confident	62 Å²	62	81.1 Å²	81.1	64%	0.639	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	165.3	-1	178.1	0	0	0	0	0	119	V521 Y525	V521-G523 PolarHBondContact O-N 3.22Å; V521-G523 VanDerWaalsContact O-N 3.11Å; G523-Y525 PolarHBondContact O-N 2.78Å
524	G	46.3	Very low	72	Confident	80 Å²	80	78.7 Å²	78.7	83%	0.825	45%	0.446	S	S	*	.	S	Bend	trans	73.3	-8.8	169.9	0	0	0	0	0	117.4
525	Y	47.6	Very low	72.9	Confident	203 Å²	203	79.2 Å²	79.2	80%	0.796	44%	0.438	S	S	*	.	S	Bend	trans	-123	129.5	174.6	-68.2	-86.3	0	0	0	111	G523 Q527	G523-Y525 PolarHBondContact O-N 2.78Å; Y525-Q527 PolarHBondContact O-N 3.04Å; Y525-Q527 VanDerWaalsContact O-N 3.15Å
526	N	55.9	Low	73.5	Confident	115 Å²	115	78.2 Å²	78.2	62%	0.615	43%	0.434	S	S	*	.			trans	-67.2	111.5	170.8	-90.4	-38.3	0	0	0	109.6	C528	N526-C528 PolarHBondContact O-N 3.29Å
527	Q	76	Confident	73.4	Confident	123 Å²	123	78.6 Å²	78.6	58%	0.575	44%	0.438	S	S	*	.			trans	-72.8	-7.6	175.4	-65.8	175.6	-13.5	0	0	113.2	C519 Y525	C519-Q527 HydrophobicContact CB-CB 4.4Å; Y525-Q527 PolarHBondContact O-N 3.04Å; Y525-Q527 VanDerWaalsContact O-N 3.15Å
528	C	81.6	Confident	72.9	Confident	15 Å²	15	77.9 Å²	77.9	10%	0.101	45%	0.454	C	S	.	.	S	Bend	trans	-81.8	147	-178.9	-56.9	0	0	0	0	112.3	N526 F532 C543	N526-C528 PolarHBondContact O-N 3.29Å; C528-F532 HydrophobicContact CB-CB 3.88Å; C528-C543 WeakPolarHBondContact CA-SG 3.18Å; C528-C543 HydrophobicContact CB-CB 3.65Å; C528-C543 WeakPolarHBondContact CB-SG 3.48Å; C528-C543 WeakPolarHBondContact SG-CA 3.31Å; C528-C543 WeakPolarHBondContact SG-CB 3.01Å; C528-C543 CovalentContact SG-SG 2.04Å; C528-C543 PolarHBondContact SG-SG 3.39Å
529	R	84.4	Confident	72.8	Confident	109 Å²	109	75.9 Å²	75.9	41%	0.411	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-59.8	155.9	174.9	-66.1	-167.4	-73.7	-156.5	0.5	111.3	D509 K510 N531 F532	D509-R529 VanDerWaalsContact CG-NH2 3.33Å; D509-R529 IonicContact OD1-CZ 3.25Å; D509-R529 IonicContact OD1-NE 2.81Å; D509-R529 PolarHBondContact OD1-NE 3.21Å; D509-R529 IonicContact OD1-NH2 3.68Å; D509-R529 PolarHBondContact OD1-NH2 3.33Å; D509-R529 IonicContact OD2-CZ 2.68Å; D509-R529 IonicContact OD2-NE 3.72Å; D509-R529 PolarHBondContact OD2-NE 2.83Å; D509-R529 IonicContact OD2-NH2 3.37Å; D509-R529 PolarHBondContact OD2-NH2 3.16Å; K510-R529 PolarHBondContact O-NH2 3.25Å; R529-N531 PolarHBondContact O-N 3.06Å; R529-F532 HydrophobicContact CB-CD2 4.35Å; R529-F532 WeakPolarHBondContact O-CB 3.14Å; R529-F532 PolarHBondContact O-N 2.99Å
530	P	71.2	Confident	72.6	Confident	116 Å²	116	76.8 Å²	76.8	75%	0.753	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	140.3	170.9	-27.3	35.5	0	0	0	110.9	F532	P530-F532 VanDerWaalsContact C-N 3.34Å
531	N	79.2	Confident	73	Confident	78 Å²	78	78.7 Å²	78.7	42%	0.417	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	-2.5	-170.6	-55.3	-34.8	0	0	0	117.9	R529 K546 Y549	R529-N531 PolarHBondContact O-N 3.06Å; N531-K546 WeakPolarHBondContact O-CB 3.05Å; N531-K546 WeakPolarHBondContact O-CG 3.5Å; N531-K546 PolarHBondContact O-N 2.76Å; N531-Y549 HydrophobicContact CB-CD1 3.65Å; N531-Y549 HydrophobicContact CB-CD2 3.67Å; N531-Y549 HydrophobicContact CB-CE1 4.04Å; N531-Y549 HydrophobicContact CB-CE2 4.06Å; N531-Y549 HydrophobicContact CB-CG 3.44Å; N531-Y549 VanDerWaalsContact CB-CG 3.44Å; N531-Y549 WeakPolarHBondContact ND2-CE2 3.44Å
532	F	85.9	Confident	73.9	Confident	28 Å²	28	74.4 Å²	74.4	12%	0.123	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	153.7	172.9	-66.9	-101.6	0	0	0	112.1	D509 C528 R529 P530 C543 C544 P545 K546 Y549	D509-F532 HydrophobicContact CB-CD1 3.55Å; D509-F532 HydrophobicContact CB-CE1 3.56Å; D509-F532 HydrophobicContact CB-CG 4.07Å; D509-F532 HydrophobicContact CB-CZ 4.09Å; D509-F532 WeakPolarHBondContact OD1-CZ 3.44Å; C528-F532 HydrophobicContact CB-CB 3.88Å; R529-F532 HydrophobicContact CB-CD2 4.35Å; R529-F532 WeakPolarHBondContact O-CB 3.14Å; R529-F532 PolarHBondContact O-N 2.99Å; P530-F532 VanDerWaalsContact C-N 3.34Å; F532-C543 HydrophobicContact CB-CB 4.21Å; F532-C544 CarbonylContact C-O 3.56Å; F532-C544 WeakPolarHBondContact CA-O 3.4Å; F532-C544 VanDerWaalsContact CD1-C 3.43Å; F532-P545 HydrophobicContact CD1-CB 4.5Å; F532-P545 HydrophobicContact CD1-CG 4.24Å; F532-P545 HydrophobicContact CE1-CB 4.26Å; F532-P545 HydrophobicContact CE1-CG 3.78Å; F532-K546 WeakPolarHBondContact O-CE 3.25Å; F532-Y549 HydrophobicContact CE2-CE1 4.36Å
533	E	84.4	Confident	75.3	Confident	70 Å²	70	68.4 Å²	68.4	33%	0.327	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.2	177.5	61.1	-167.9	145.8	0	0	111.6	L535 C543 C544 K546	E533-L535 HydrophobicContact CG-CD1 4.45Å; E533-L535 HydrophobicContact CG-CD2 4.21Å; E533-L535 HydrophobicContact CG-CG 4.13Å; E533-L535 PolarHBondContact O-N 3.17Å; E533-C543 CarbonylContact O-C 3.56Å; E533-C543 WeakPolarHBondContact O-CA 3.48Å; E533-C544 PolarHBondContact N-O 2.84Å; E533-C544 PolarHBondContact O-N 2.8Å; E533-K546 HydrophobicContact CB-CG 3.94Å; E533-K546 HydrophobicContact CG-CG 3.92Å; E533-K546 WeakPolarHBondContact OE1-CA 3.36Å
534	C	88	Confident	77.2	Confident	18 Å²	18	65.5 Å²	65.5	12%	0.122	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	112	-179	-172.4	0	0	0	0	110.4	C519	C519-C534 HydrophobicContact CB-CB 3.83Å; C519-C534 WeakPolarHBondContact CB-SG 3.4Å; C519-C534 WeakPolarHBondContact SG-CA 3.21Å; C519-C534 WeakPolarHBondContact SG-CB 3.19Å; C519-C534 CovalentContact SG-SG 2.03Å; C519-C534 PolarHBondContact SG-SG 3.17Å
535	L	83.6	Confident	79.1	Confident	53 Å²	53	61.9 Å²	61.9	28%	0.277	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144	177	-60.6	-177.3	0	0	0	110.7	P504 E533 Y541 G542 C544	P504-L535 HydrophobicContact CG-CD1 3.85Å; E533-L535 HydrophobicContact CG-CD1 4.45Å; E533-L535 HydrophobicContact CG-CD2 4.21Å; E533-L535 HydrophobicContact CG-CG 4.13Å; E533-L535 PolarHBondContact O-N 3.17Å; L535-Y541 WeakPolarHBondContact O-CA 3.47Å; L535-G542 PolarHBondContact N-O 3.44Å; L535-G542 PolarHBondContact O-N 3.36Å; L535-C544 HydrophobicContact CB-CB 4.42Å; L535-C544 HydrophobicContact CD1-CB 3.66Å; L535-C544 HydrophobicContact CG-CB 4.06Å
536	F	82.1	Confident	80.7	Confident	108 Å²	108	56 Å²	56	47%	0.474	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	125.3	170.4	-172.7	-119.2	0	0	0	109.7	G538 Y541	F536-G538 VanDerWaalsContact C-N 3.34Å; F536-G538 VanDerWaalsContact CE1-CA 3.41Å; F536-G538 VanDerWaalsContact CZ-C 3.41Å; F536-Y541 HydrophobicContact CB-CD1 3.86Å; F536-Y541 HydrophobicContact CB-CE1 3.61Å; F536-Y541 HydrophobicContact CB-CG 4.43Å; F536-Y541 HydrophobicContact CD2-CD1 4.16Å; F536-Y541 AromaticContact CD2-CD2 3.6Å; F536-Y541 HydrophobicContact CD2-CD2 3.6Å; F536-Y541 HydrophobicContact CD2-CE1 4.15Å; F536-Y541 AromaticContact CD2-CE2 3.55Å; F536-Y541 HydrophobicContact CD2-CE2 3.55Å; F536-Y541 AromaticContact CD2-CG 3.89Å; F536-Y541 HydrophobicContact CD2-CG 3.89Å; F536-Y541 AromaticContact CD2-CZ 3.84Å; F536-Y541 HydrophobicContact CE2-CD2 4.13Å; F536-Y541 HydrophobicContact CE2-CE2 4.03Å; F536-Y541 HydrophobicContact CG-CD1 4.45Å; F536-Y541 HydrophobicContact CG-CE1 4.17Å; F536-Y541 HydrophobicContact CG-CE2 4.21Å
537	D	77.3	Confident	81.8	Confident	33 Å²	33	53.8 Å²	53.8	18%	0.176	28%	0.284	C	S	.	.			trans	-92.2	8.5	-176.9	88.9	-28.4	0	0	0	114.4	R499 S502 A539 I540	R499-D537 IonicContact CZ-OD2 2.76Å; R499-D537 IonicContact NE-OD2 2.74Å; R499-D537 IonicContact NH2-OD1 3.62Å; R499-D537 PolarHBondContact NH2-OD1 3.06Å; R499-D537 IonicContact NH2-OD2 3.39Å; R499-D537 PolarHBondContact NH2-OD2 2.83Å; S502-D537 WeakPolarHBondContact CB-OD2 3.43Å; S502-D537 PolarHBondContact N-OD2 3.15Å; S502-D537 PolarHBondContact OG-OD2 2.82Å; D537-A539 WeakPolarHBondContact OD1-CA 3.31Å; D537-A539 PolarHBondContact OD1-N 3.22Å; D537-I540 PolarHBondContact N-O 3.28Å; D537-I540 PolarHBondContact OD1-N 2.92Å
538	G	71.7	Confident	81.4	Confident	61 Å²	61	52 Å²	52	63%	0.629	29%	0.29	S	S	*	.	S	Bend	trans	93.7	-12.8	-171.1	0	0	0	0	0	114.2	F536	F536-G538 VanDerWaalsContact C-N 3.34Å; F536-G538 VanDerWaalsContact CE1-CA 3.41Å; F536-G538 VanDerWaalsContact CZ-C 3.41Å
539	A	75	Confident	81.4	Confident	50 Å²	50	54.6 Å²	54.6	41%	0.413	30%	0.298	S	S	.	.	S	Bend	trans	-131.7	-39.9	175	0	0	0	0	0	113.6	R499 D537	R499-A539 VanDerWaalsContact CZ-CB 3.45Å; D537-A539 WeakPolarHBondContact OD1-CA 3.31Å; D537-A539 PolarHBondContact OD1-N 3.22Å
540	I	78.3	Confident	81.4	Confident	31 Å²	31	49.4 Å²	49.4	16%	0.159	28%	0.279	C	S	.	.			trans	-138.2	151.9	-179.7	58.9	177.6	0	0	0	111.8	R499 P501 D537	R499-I540 HydrophobicContact CB-CD1 4.28Å; R499-I540 HydrophobicContact CG-CD1 4.17Å; R499-I540 WeakPolarHBondContact O-CD1 3.42Å; P501-I540 HydrophobicContact CB-CD1 4.17Å; P501-I540 HydrophobicContact CB-CG1 4.24Å; P501-I540 HydrophobicContact CG-CD1 3.78Å; P501-I540 HydrophobicContact CG-CG1 4.3Å; D537-I540 PolarHBondContact N-O 3.28Å; D537-I540 PolarHBondContact OD1-N 2.92Å
541	Y	85.1	Confident	82	Confident	83 Å²	83	44.7 Å²	44.7	33%	0.325	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	132.4	168.4	-76.1	-85.7	0	0	0	109.9	T518 C519 V521 L535 F536	T518-Y541 WeakPolarHBondContact CA-O 3.46Å; C519-Y541 PolarHBondContact N-O 2.93Å; C519-Y541 WeakPolarHBondContact O-CB 3.42Å; V521-Y541 HydrophobicContact CB-CE1 4.49Å; V521-Y541 HydrophobicContact CG1-CE1 4.14Å; V521-Y541 HydrophobicContact CG2-CE1 3.64Å; L535-Y541 WeakPolarHBondContact O-CA 3.47Å; F536-Y541 HydrophobicContact CB-CD1 3.86Å; F536-Y541 HydrophobicContact CB-CE1 3.61Å; F536-Y541 HydrophobicContact CB-CG 4.43Å; F536-Y541 HydrophobicContact CD2-CD1 4.16Å; F536-Y541 AromaticContact CD2-CD2 3.6Å; F536-Y541 HydrophobicContact CD2-CD2 3.6Å; F536-Y541 HydrophobicContact CD2-CE1 4.15Å; F536-Y541 AromaticContact CD2-CE2 3.55Å; F536-Y541 HydrophobicContact CD2-CE2 3.55Å; F536-Y541 AromaticContact CD2-CG 3.89Å; F536-Y541 HydrophobicContact CD2-CG 3.89Å; F536-Y541 AromaticContact CD2-CZ 3.84Å; F536-Y541 HydrophobicContact CE2-CD2 4.13Å; F536-Y541 HydrophobicContact CE2-CE2 4.03Å; F536-Y541 HydrophobicContact CG-CD1 4.45Å; F536-Y541 HydrophobicContact CG-CE1 4.17Å; F536-Y541 HydrophobicContact CG-CE2 4.21Å
542	G	86	Confident	82.2	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	156	176.3	0	0	0	0	0	113.3	Y517 L535 C544	Y517-G542 WeakPolarHBondContact O-CA 3.21Å; L535-G542 PolarHBondContact N-O 3.44Å; L535-G542 PolarHBondContact O-N 3.36Å; G542-C544 PolarHBondContact O-N 2.86Å
543	C	90.8	Very high	82.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	108.3	176.1	-66.9	0	0	0	0	110.7	A508 D509 Y517 C528 F532 E533	A508-C543 CarbonylContact C-O 3.57Å; A508-C543 WeakPolarHBondContact CA-O 3.32Å; D509-C543 HydrophobicContact CB-CB 3.76Å; D509-C543 PolarHBondContact N-O 2.81Å; Y517-C543 PolarHBondContact O-N 2.82Å; Y517-C543 VanDerWaalsContact O-N 3.12Å; C528-C543 WeakPolarHBondContact CA-SG 3.18Å; C528-C543 HydrophobicContact CB-CB 3.65Å; C528-C543 WeakPolarHBondContact CB-SG 3.48Å; C528-C543 WeakPolarHBondContact SG-CA 3.31Å; C528-C543 WeakPolarHBondContact SG-CB 3.01Å; C528-C543 CovalentContact SG-SG 2.04Å; C528-C543 PolarHBondContact SG-SG 3.39Å; F532-C543 HydrophobicContact CB-CB 4.21Å; E533-C543 CarbonylContact O-C 3.56Å; E533-C543 WeakPolarHBondContact O-CA 3.48Å
544	C	90.5	Very high	82.5	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.007	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	149.3	-177.9	-73.7	0	0	0	0	112.5	C503 F532 E533 L535 G542 K546	C503-C544 WeakPolarHBondContact CA-SG 3.35Å; C503-C544 HydrophobicContact CB-CB 3.72Å; C503-C544 WeakPolarHBondContact CB-SG 3.49Å; C503-C544 WeakPolarHBondContact SG-CA 3.36Å; C503-C544 WeakPolarHBondContact SG-CB 3.02Å; C503-C544 CovalentContact SG-SG 2.04Å; C503-C544 PolarHBondContact SG-SG 3.41Å; F532-C544 CarbonylContact C-O 3.56Å; F532-C544 WeakPolarHBondContact CA-O 3.4Å; F532-C544 VanDerWaalsContact CD1-C 3.43Å; E533-C544 PolarHBondContact N-O 2.84Å; E533-C544 PolarHBondContact O-N 2.8Å; L535-C544 HydrophobicContact CB-CB 4.42Å; L535-C544 HydrophobicContact CD1-CB 3.66Å; L535-C544 HydrophobicContact CG-CB 4.06Å; G542-C544 PolarHBondContact O-N 2.86Å; C544-K546 PolarHBondContact O-N 2.7Å
545	P	87.5	Confident	82.7	Confident	4 Å²	4	52.1 Å²	52.1	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	127.1	178.7	-19.7	31.1	0	0	0	111.2	E507 F532 Y549 S589	E507-P545 VanDerWaalsContact O-CD 3.24Å; E507-P545 WeakPolarHBondContact O-CD 3.46Å; E507-P545 VanDerWaalsContact O-CG 3.25Å; E507-P545 WeakPolarHBondContact O-CG 2.97Å; F532-P545 HydrophobicContact CD1-CB 4.5Å; F532-P545 HydrophobicContact CD1-CG 4.24Å; F532-P545 HydrophobicContact CE1-CB 4.26Å; F532-P545 HydrophobicContact CE1-CG 3.78Å; P545-Y549 HydrophobicContact CB-CD1 4.38Å; P545-S589 WeakPolarHBondContact CG-OG 3.29Å
546	K	80.6	Confident	83.1	Confident	79 Å²	79	50.8 Å²	50.8	34%	0.343	28%	0.281	S	S	.	.			trans	-60.7	144.3	175.2	-69.5	-179.5	-174.4	-173	0	110.8	N531 F532 E533 C544 A548 Y549 T550	N531-K546 WeakPolarHBondContact O-CB 3.05Å; N531-K546 WeakPolarHBondContact O-CG 3.5Å; N531-K546 PolarHBondContact O-N 2.76Å; F532-K546 WeakPolarHBondContact O-CE 3.25Å; E533-K546 HydrophobicContact CB-CG 3.94Å; E533-K546 HydrophobicContact CG-CG 3.92Å; E533-K546 WeakPolarHBondContact OE1-CA 3.36Å; C544-K546 PolarHBondContact O-N 2.7Å; K546-A548 VanDerWaalsContact C-N 3.34Å; K546-A548 PolarHBondContact O-N 2.88Å; K546-Y549 WeakPolarHBondContact O-CB 3.42Å; K546-Y549 PolarHBondContact O-N 3.38Å; K546-T550 PolarHBondContact O-N 3.07Å; K546-T550 PolarHBondContact O-OG1 2.87Å
547	K	77.9	Confident	83.6	Confident	70 Å²	70	48.4 Å²	48.4	30%	0.304	28%	0.276	S	S	.	.	H	α-helix	trans	-50.6	-49.6	174	170.3	165.4	160.6	153.4	0	112.8	Y549 T550 C551 Y601 D603	K547-Y549 VanDerWaalsContact C-N 3.29Å; K547-Y549 PolarHBondContact O-N 3.3Å; K547-T550 PolarHBondContact O-N 3.36Å; K547-C551 PolarHBondContact O-N 3.5Å; K547-C551 PolarHBondContact O-SG 3.19Å; K547-Y601 WeakPolarHBondContact CA-OH 3.38Å; K547-Y601 HydrophobicContact CB-CE1 4.15Å; K547-Y601 WeakPolarHBondContact CD-O 3.43Å; K547-Y601 WeakPolarHBondContact CE-O 3.45Å; K547-Y601 HydrophobicContact CG-CE1 4.09Å; K547-Y601 WeakPolarHBondContact CG-O 3.2Å; K547-Y601 PolarHBondContact NZ-O 2.7Å; K547-D603 WeakPolarHBondContact CE-OD2 3.35Å; K547-D603 IonicContact NZ-OD1 2.82Å; K547-D603 PolarHBondContact NZ-OD1 3.29Å; K547-D603 IonicContact NZ-OD2 3.59Å; K547-D603 PolarHBondContact NZ-OD2 3.24Å
548	A	69.2	Low	84	Confident	84 Å²	84	48.2 Å²	48.2	69%	0.694	28%	0.282	S	S	*	.	H	α-helix	trans	-61.2	-33.7	177.9	0	0	0	0	0	113.6	K546 S552	K546-A548 VanDerWaalsContact C-N 3.34Å; K546-A548 PolarHBondContact O-N 2.88Å; A548-S552 WeakPolarHBondContact O-CB 3.22Å; A548-S552 PolarHBondContact O-N 2.84Å
549	Y	81.3	Confident	84.6	Confident	71 Å²	71	47.7 Å²	47.7	28%	0.278	27%	0.267	S	S	.	.	H	α-helix	trans	-71.8	-50.6	175.4	175.1	-128.4	0	0	0	111	N531 F532 P545 K546 K547 C551 S552 L553	N531-Y549 HydrophobicContact CB-CD1 3.65Å; N531-Y549 HydrophobicContact CB-CD2 3.67Å; N531-Y549 HydrophobicContact CB-CE1 4.04Å; N531-Y549 HydrophobicContact CB-CE2 4.06Å; N531-Y549 HydrophobicContact CB-CG 3.44Å; N531-Y549 VanDerWaalsContact CB-CG 3.44Å; N531-Y549 WeakPolarHBondContact ND2-CE2 3.44Å; F532-Y549 HydrophobicContact CE2-CE1 4.36Å; P545-Y549 HydrophobicContact CB-CD1 4.38Å; K546-Y549 WeakPolarHBondContact O-CB 3.42Å; K546-Y549 PolarHBondContact O-N 3.38Å; K547-Y549 VanDerWaalsContact C-N 3.29Å; K547-Y549 PolarHBondContact O-N 3.3Å; Y549-C551 VanDerWaalsContact C-N 3.28Å; Y549-C551 PolarHBondContact O-N 3.45Å; Y549-S552 WeakPolarHBondContact O-CA 3.28Å; Y549-S552 WeakPolarHBondContact O-CB 3.1Å; Y549-S552 PolarHBondContact O-N 3.15Å; Y549-S552 PolarHBondContact O-OG 3.11Å; Y549-L553 HydrophobicContact CD2-CD2 4.31Å; Y549-L553 HydrophobicContact CE1-CD1 4.46Å; Y549-L553 HydrophobicContact CE2-CD2 3.71Å; Y549-L553 HydrophobicContact CE2-CG 4.47Å; Y549-L553 PolarHBondContact O-N 3.05Å
550	T	84.3	Confident	84.9	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-49.9	-49.7	177	-64.3	0	0	0	0	111.5	Q505 K546 K547 S552 L553 S589 N590 F592 Y601	Q505-T550 HydrophobicContact CG-CG2 4.02Å; K546-T550 PolarHBondContact O-N 3.07Å; K546-T550 PolarHBondContact O-OG1 2.87Å; K547-T550 PolarHBondContact O-N 3.36Å; T550-S552 PolarHBondContact O-N 3.36Å; T550-L553 PolarHBondContact O-N 3.4Å; T550-S589 WeakPolarHBondContact CG2-O 3.19Å; T550-S589 WeakPolarHBondContact OG1-CB 3.37Å; T550-N590 WeakPolarHBondContact O-CB 3.02Å; T550-F592 HydrophobicContact CG2-CZ 4.35Å; T550-Y601 HydrophobicContact CG2-CD1 4.23Å; T550-Y601 HydrophobicContact CG2-CE1 3.64Å
551	C	84.4	Confident	84.6	Confident	16 Å²	16	45.9 Å²	45.9	11%	0.108	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	10.6	-179.4	-51.4	0	0	0	0	114.1	K547 Y549 F570 C602	K547-C551 PolarHBondContact O-N 3.5Å; K547-C551 PolarHBondContact O-SG 3.19Å; Y549-C551 VanDerWaalsContact C-N 3.28Å; Y549-C551 PolarHBondContact O-N 3.45Å; C551-F570 HydrophobicContact CB-CD1 3.78Å; C551-F570 HydrophobicContact CB-CE1 4.16Å; C551-F570 WeakPolarHBondContact O-CD1 3.42Å; C551-F570 VanDerWaalsContact O-CE1 3.29Å; C551-F570 WeakPolarHBondContact O-CE1 3.34Å; C551-C602 HydrophobicContact CB-CB 3.73Å; C551-C602 WeakPolarHBondContact CB-SG 3.39Å; C551-C602 WeakPolarHBondContact SG-CA 3.37Å; C551-C602 WeakPolarHBondContact SG-CB 3.22Å; C551-C602 CovalentContact SG-SG 2.03Å; C551-C602 PolarHBondContact SG-SG 3.06Å
552	S	82.6	Confident	84	Confident	64 Å²	64	43.5 Å²	43.5	45%	0.448	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-12.1	169	73	0	0	0	0	113	A548 Y549 T550	A548-S552 WeakPolarHBondContact O-CB 3.22Å; A548-S552 PolarHBondContact O-N 2.84Å; Y549-S552 WeakPolarHBondContact O-CA 3.28Å; Y549-S552 WeakPolarHBondContact O-CB 3.1Å; Y549-S552 PolarHBondContact O-N 3.15Å; Y549-S552 PolarHBondContact O-OG 3.11Å; T550-S552 PolarHBondContact O-N 3.36Å
553	L	85.7	Confident	83.3	Confident	31 Å²	31	47.3 Å²	47.3	16%	0.162	29%	0.287	C	S	.	.	S	Bend	trans	-75.3	143.3	-179.1	-62.1	174.1	0	0	0	111.1	Y549 T550 N588 N590	Y549-L553 HydrophobicContact CD2-CD2 4.31Å; Y549-L553 HydrophobicContact CE1-CD1 4.46Å; Y549-L553 HydrophobicContact CE2-CD2 3.71Å; Y549-L553 HydrophobicContact CE2-CG 4.47Å; Y549-L553 PolarHBondContact O-N 3.05Å; T550-L553 PolarHBondContact O-N 3.4Å; L553-N588 HydrophobicContact CD1-CB 3.99Å; L553-N590 HydrophobicContact CB-CB 4.12Å; L553-N590 PolarHBondContact O-ND2 3.2Å
554	N	90.1	Very high	82.8	Confident	116 Å²	116	50.7 Å²	50.7	62%	0.62	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-68.4	160.4	164.9	-68.5	-33.7	0	0	0	110.7	A556 N588	N554-A556 PolarHBondContact O-N 3.35Å; N554-N588 PolarHBondContact O-ND2 2.91Å
555	R	92.4	Very high	82.6	Confident	140 Å²	140	53.1 Å²	53.1	53%	0.528	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-54.9	139.3	170	64	179.9	-175.7	-96.6	-2.8	111.2	Y569 F580	R555-Y569 HydrophobicContact CB-CD1 3.83Å; R555-Y569 HydrophobicContact CB-CD2 3.73Å; R555-Y569 HydrophobicContact CB-CE1 4.07Å; R555-Y569 HydrophobicContact CB-CE2 4.01Å; R555-Y569 HydrophobicContact CB-CG 3.65Å; R555-Y569 HydrophobicContact CG-CE1 4.33Å; R555-Y569 HydrophobicContact CG-CE2 4.36Å; R555-Y569 PolarHBondContact NH1-OH 3.47Å; R555-F580 HydrophobicContact CB-CB 4.44Å; R555-F580 HydrophobicContact CB-CD2 4.12Å; R555-F580 HydrophobicContact CB-CG 4.11Å
556	A	92.9	Very high	82.7	Confident	24 Å²	24	57.1 Å²	57.1	20%	0.198	35%	0.352	C	S	.	.			trans	-124.2	104.3	172.4	0	0	0	0	0	109.4	N554 G558 F580 N588	N554-A556 PolarHBondContact O-N 3.35Å; A556-G558 PolarHBondContact O-N 3.42Å; A556-F580 WeakPolarHBondContact O-CE2 3.34Å; A556-N588 HydrophobicContact CB-CB 4.08Å; A556-N588 WeakPolarHBondContact CB-ND2 3.43Å
557	P	91.1	Very high	83.3	Confident	58 Å²	58	56.6 Å²	56.6	38%	0.377	35%	0.348	S	S	.	.			trans	-57	-27.5	175.3	-26.2	35.9	0	0	0	113.4	Y582 L583	P557-Y582 WeakPolarHBondContact O-CD2 3.43Å; P557-L583 HydrophobicContact CB-CD1 4.33Å; P557-L583 HydrophobicContact CB-CG 4.21Å; P557-L583 WeakPolarHBondContact O-CB 3.38Å; P557-L583 PolarHBondContact O-N 2.02Å
558	G	87	Confident	84	Confident	29 Å²	29	56.8 Å²	56.8	30%	0.299	35%	0.346	S	S	.	.			trans	75.3	-151.7	177.7	0	0	0	0	0	113.2	A556 C585 D586	A556-G558 PolarHBondContact O-N 3.42Å; G558-C585 CarbonylContact C-O 3.54Å; G558-C585 VanDerWaalsContact CA-O 3.23Å; G558-C585 WeakPolarHBondContact CA-O 3.25Å; G558-D586 VanDerWaalsContact CA-O 3.26Å; G558-D586 WeakPolarHBondContact CA-O 3.42Å
559	T	84.3	Confident	85.2	Confident	50 Å²	50	53 Å²	53	31%	0.307	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	142.4	-179.8	-47.1	0	0	0	0	109.9	P426 C561 L583 C585 D586	P426-T559 HydrophobicContact CG-CG2 3.96Å; T559-C561 PolarHBondContact O-N 2.94Å; T559-L583 CarbonylContact O-C 3.53Å; T559-C585 PolarHBondContact N-O 2.03Å; T559-C585 PolarHBondContact O-N 3.08Å; T559-C585 VanDerWaalsContact O-N 3.08Å; T559-D586 PolarHBondContact OG1-OD2 2.9Å
560	A	80.4	Confident	85.4	Confident	23 Å²	23	50 Å²	50	19%	0.19	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	124.3	169.7	0	0	0	0	0	110.2	L412 Q417 L583	L412-A560 HydrophobicContact CD1-CB 4.45Å; L412-A560 HydrophobicContact CG-CB 4.2Å; Q417-A560 PolarHBondContact OE1-O 2.99Å; A560-L583 WeakPolarHBondContact CA-O 3.39Å; A560-L583 HydrophobicContact CB-CB 4.44Å
561	C	73.1	Confident	85.4	Confident	21 Å²	21	50.8 Å²	50.8	14%	0.142	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	28.3	172.5	80.2	0	0	0	0	113.7	L409 P426 Y429 T559 L583 C585	L409-C561 HydrophobicContact CD1-CB 3.64Å; L409-C561 WeakPolarHBondContact CD1-O 3.46Å; L409-C561 HydrophobicContact CD2-CB 3.88Å; L409-C561 HydrophobicContact CG-CB 4.38Å; P426-C561 HydrophobicContact CG-CB 3.9Å; Y429-C561 HydrophobicContact CE2-CB 4.49Å; T559-C561 PolarHBondContact O-N 2.94Å; C561-L583 PolarHBondContact N-O 3.22Å; C561-C585 HydrophobicContact CB-CB 3.7Å; C561-C585 WeakPolarHBondContact CB-SG 3.31Å; C561-C585 WeakPolarHBondContact SG-CB 3.47Å; C561-C585 PolarHBondContact SG-N 3.4Å; C561-C585 CovalentContact SG-SG 2.02Å; C561-C585 PolarHBondContact SG-SG 3.14Å
562	G	71.2	Confident	84.8	Confident	32 Å²	32	51.2 Å²	51.2	33%	0.33	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	157.7	-168.6	-176.9	0	0	0	0	0	110.3	L412	L412-G562 WeakPolarHBondContact CD2-O 3.48Å
563	A	71.9	Confident	84.3	Confident	81 Å²	81	53.5 Å²	53.5	67%	0.669	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	134	174.2	0	0	0	0	0	110.6	T565	A563-T565 PolarHBondContact O-N 3.44Å
564	P	80.9	Confident	83.5	Confident	70 Å²	70	56 Å²	56	46%	0.455	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	134.9	179.8	28.2	-32.2	0	0	0	109.4	L412 T581 Y582 L583	L412-P564 HydrophobicContact CD2-CG 4.26Å; P564-T581 HydrophobicContact CB-CG2 3.75Å; P564-Y582 CarbonylContact C-O 3.56Å; P564-Y582 WeakPolarHBondContact CA-O 3.39Å; P564-L583 HydrophobicContact CB-CD2 4.29Å
565	T	85.2	Confident	82.4	Confident	53 Å²	53	52.6 Å²	52.6	33%	0.325	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	141.4	-177.5	53.9	0	0	0	0	111	A563 R567 Y582	A563-T565 PolarHBondContact O-N 3.44Å; T565-R567 PolarHBondContact O-N 2.87Å; T565-R567 PolarHBondContact OG1-NE 3.22Å; T565-R567 VanDerWaalsContact OG1-NE 3.11Å; T565-R567 PolarHBondContact OG1-NH2 2.91Å; T565-Y582 PolarHBondContact N-O 3.42Å; T565-Y582 PolarHBondContact O-N 2.92Å
566	S	90.5	Very high	81.4	Confident	87 Å²	87	48.6 Å²	48.6	61%	0.608	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	127.6	168.4	-170.1	0	0	0	0	109.1
567	R	93.1	Very high	81	Confident	69 Å²	69	48.1 Å²	48.1	26%	0.26	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	163	179.3	-63.7	-63.5	179.5	83.4	4.7	109.9	T565 T579 F580 Y582 N591	T565-R567 PolarHBondContact O-N 2.87Å; T565-R567 PolarHBondContact OG1-NE 3.22Å; T565-R567 VanDerWaalsContact OG1-NE 3.11Å; T565-R567 PolarHBondContact OG1-NH2 2.91Å; R567-T579 CarbonylContact O-C 3.59Å; R567-T579 WeakPolarHBondContact O-CA 3.37Å; R567-F580 HydrophobicContact CB-CD1 4.05Å; R567-F580 HydrophobicContact CB-CE1 3.55Å; R567-F580 HydrophobicContact CB-CZ 4Å; R567-F580 PolarHBondContact N-O 2.03Å; R567-F580 WeakPolarHBondContact O-CD1 3.48Å; R567-F580 PolarHBondContact O-N 3.03Å; R567-Y582 VanDerWaalsContact CG-CB 3.44Å; R567-Y582 HydrophobicContact CG-CD1 4.09Å; R567-Y582 HydrophobicContact CG-CG 4.08Å; R567-N591 WeakPolarHBondContact CB-OD1 3.49Å; R567-N591 WeakPolarHBondContact CG-OD1 3.36Å; R567-N591 PolarHBondContact NH1-OD1 3.1Å
568	W	92.9	Very high	80.8	Confident	73 Å²	73	48.1 Å²	48.1	28%	0.277	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	141.5	176.2	-63.6	81.7	0	0	0	110.4	C577 K578 T579 F592 N595 C598	W568-C577 HydrophobicContact CE3-CB 4.22Å; W568-K578 CarbonylContact C-O 3.51Å; W568-K578 WeakPolarHBondContact CA-O 3.26Å; W568-T579 HydrophobicContact CD2-CG2 3.88Å; W568-T579 HydrophobicContact CE3-CG2 4.02Å; W568-T579 HydrophobicContact CH2-CG2 3.72Å; W568-T579 HydrophobicContact CZ2-CG2 3.54Å; W568-T579 HydrophobicContact CZ3-CG2 3.96Å; W568-F592 HydrophobicContact CB-CB 4.21Å; W568-F592 PolarHBondContact N-O 2.86Å; W568-F592 WeakPolarHBondContact O-CD2 3.02Å; W568-F592 PolarHBondContact O-N 3.49Å; W568-N595 HydrophobicContact CD2-CB 3.64Å; W568-N595 HydrophobicContact CE3-CB 3.71Å; W568-N595 VanDerWaalsContact CE3-OD1 3.28Å; W568-N595 HydrophobicContact CG-CB 4.29Å; W568-N595 HydrophobicContact CH2-CB 3.86Å; W568-N595 HydrophobicContact CZ2-CB 3.8Å; W568-N595 HydrophobicContact CZ3-CB 3.82Å; W568-N595 WeakPolarHBondContact CZ3-OD1 3.24Å; W568-C598 HydrophobicContact CB-CB 3.95Å
569	Y	92.9	Very high	81	Confident	6 Å²	6	50.5 Å²	50.5	2%	0.024	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.3	168.3	81.6	-79.1	0	0	0	109	R555 D571 C577 K578 F580 N590	R555-Y569 HydrophobicContact CB-CD1 3.83Å; R555-Y569 HydrophobicContact CB-CD2 3.73Å; R555-Y569 HydrophobicContact CB-CE1 4.07Å; R555-Y569 HydrophobicContact CB-CE2 4.01Å; R555-Y569 HydrophobicContact CB-CG 3.65Å; R555-Y569 HydrophobicContact CG-CE1 4.33Å; R555-Y569 HydrophobicContact CG-CE2 4.36Å; R555-Y569 PolarHBondContact NH1-OH 3.47Å; Y569-D571 HydrophobicContact CE2-CB 3.86Å; Y569-D571 PolarHBondContact OH-OD2 3.38Å; Y569-C577 CarbonylContact O-C 3.59Å; Y569-C577 WeakPolarHBondContact O-CA 3.08Å; Y569-K578 HydrophobicContact CD1-CB 4.18Å; Y569-K578 VanDerWaalsContact CD1-O 3.3Å; Y569-K578 WeakPolarHBondContact CD1-O 3.4Å; Y569-K578 HydrophobicContact CE1-CB 3.64Å; Y569-K578 PolarHBondContact N-O 3.31Å; Y569-K578 PolarHBondContact O-N 3.05Å; Y569-F580 HydrophobicContact CD1-CB 3.92Å; Y569-F580 AromaticContact CD1-CD1 3.68Å; Y569-F580 HydrophobicContact CD1-CD1 3.68Å; Y569-F580 HydrophobicContact CD1-CG 4.06Å; Y569-F580 HydrophobicContact CE1-CB 4.17Å; Y569-F580 HydrophobicContact CG-CD1 4.16Å; Y569-N590 WeakPolarHBondContact CA-OD1 3.03Å; Y569-N590 VanDerWaalsContact CB-O 3.31Å; Y569-N590 WeakPolarHBondContact CB-O 3.42Å
570	F	86.1	Confident	81.5	Confident	7 Å²	7	48.8 Å²	48.8	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	122.2	170	174.4	-114.1	0	0	0	109.5	C551 P572 K575 N590 C598 C602 V604	C551-F570 HydrophobicContact CB-CD1 3.78Å; C551-F570 HydrophobicContact CB-CE1 4.16Å; C551-F570 WeakPolarHBondContact O-CD1 3.42Å; C551-F570 VanDerWaalsContact O-CE1 3.29Å; C551-F570 WeakPolarHBondContact O-CE1 3.34Å; F570-P572 VanDerWaalsContact O-CD 3.3Å; F570-P572 WeakPolarHBondContact O-CD 3.39Å; F570-K575 VanDerWaalsContact CE2-C 3.47Å; F570-K575 HydrophobicContact CE2-CB 4.34Å; F570-K575 HydrophobicContact CZ-CB 4.27Å; F570-K575 HydrophobicContact CZ-CD 3.92Å; F570-N590 PolarHBondContact N-OD1 3.34Å; F570-N590 PolarHBondContact O-ND2 2.85Å; F570-C598 PolarHBondContact N-SG 3.37Å; F570-C598 VanDerWaalsContact N-SG 3.39Å; F570-C602 HydrophobicContact CB-CB 3.85Å; F570-C602 HydrophobicContact CD1-CB 4.05Å; F570-C602 HydrophobicContact CD2-CB 4.07Å; F570-C602 HydrophobicContact CG-CB 3.72Å; F570-V604 HydrophobicContact CD2-CB 4.35Å; F570-V604 HydrophobicContact CD2-CG1 4.12Å; F570-V604 HydrophobicContact CD2-CG2 3.28Å; F570-V604 HydrophobicContact CE2-CB 4.26Å; F570-V604 HydrophobicContact CE2-CG1 3.93Å; F570-V604 HydrophobicContact CE2-CG2 3.45Å; F570-V604 VanDerWaalsContact CE2-CG2 3.45Å; F570-V604 HydrophobicContact CG-CG2 4.19Å; F570-V604 HydrophobicContact CZ-CG2 4.46Å
571	D	84.8	Confident	82.1	Confident	16 Å²	16	51.8 Å²	51.8	9%	0.086	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	111.7	175.1	-163.2	-55.1	0	0	0	110	Y569 T573 D574 K575 I576 K578	Y569-D571 HydrophobicContact CE2-CB 3.86Å; Y569-D571 PolarHBondContact OH-OD2 3.38Å; D571-T573 PolarHBondContact O-N 2.88Å; D571-T573 VanDerWaalsContact OD1-CB 3.31Å; D571-T573 WeakPolarHBondContact OD1-CB 3.5Å; D571-T573 PolarHBondContact OD1-N 3.49Å; D571-D574 HydrophobicContact CB-CB 4.39Å; D571-D574 PolarHBondContact OD1-N 2.86Å; D571-K575 WeakPolarHBondContact O-CA 3.02Å; D571-K575 PolarHBondContact O-N 2.92Å; D571-I576 WeakPolarHBondContact CB-O 3.28Å; D571-I576 PolarHBondContact N-O 3.42Å; D571-K578 HydrophobicContact CB-CD 3.99Å; D571-K578 HydrophobicContact CB-CG 4.34Å; D571-K578 WeakPolarHBondContact OD2-CD 3.33Å; D571-K578 WeakPolarHBondContact OD2-CE 3.05Å; D571-K578 IonicContact OD2-NZ 2.83Å; D571-K578 PolarHBondContact OD2-NZ 3.45Å
572	P	71.1	Confident	82.9	Confident	26 Å²	26	52 Å²	52	17%	0.169	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-9.2	-176.3	31.8	-36.3	0	0	0	113	F570 K575	F570-P572 VanDerWaalsContact O-CD 3.3Å; F570-P572 WeakPolarHBondContact O-CD 3.39Å; P572-K575 WeakPolarHBondContact O-CD 3.17Å; P572-K575 WeakPolarHBondContact O-CE 2.99Å; P572-K575 PolarHBondContact O-NZ 2.85Å
573	T	72.7	Confident	83.6	Confident	111 Å²	111	52.8 Å²	52.8	68%	0.681	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-59.2	174.4	-50	0	0	0	0	109.8	D571 K575	D571-T573 PolarHBondContact O-N 2.88Å; D571-T573 VanDerWaalsContact OD1-CB 3.31Å; D571-T573 WeakPolarHBondContact OD1-CB 3.5Å; D571-T573 PolarHBondContact OD1-N 3.49Å; T573-K575 VanDerWaalsContact C-N 3.27Å; T573-K575 PolarHBondContact O-N 3.48Å
574	D	68.3	Low	84.1	Confident	83 Å²	83	50.1 Å²	50.1	44%	0.444	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-9.2	-173.4	-67.5	7.1	0	0	0	113.4	D571 I576 K578	D571-D574 HydrophobicContact CB-CB 4.39Å; D571-D574 PolarHBondContact OD1-N 2.86Å; D574-I576 HydrophobicContact CB-CD1 4.25Å; D574-I576 HydrophobicContact CB-CG1 3.78Å; D574-I576 PolarHBondContact O-N 2.87Å; D574-K578 WeakPolarHBondContact OD2-CE 3Å; D574-K578 IonicContact OD2-NZ 2.72Å; D574-K578 PolarHBondContact OD2-NZ 2.86Å
575	K	67	Low	84.3	Confident	46 Å²	46	47.3 Å²	47.3	20%	0.2	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	39.3	-176.5	-49.6	-50.8	-165.5	-179.1	0	112.9	F570 D571 P572 T573 V604 I639 S640	F570-K575 VanDerWaalsContact CE2-C 3.47Å; F570-K575 HydrophobicContact CE2-CB 4.34Å; F570-K575 HydrophobicContact CZ-CB 4.27Å; F570-K575 HydrophobicContact CZ-CD 3.92Å; D571-K575 WeakPolarHBondContact O-CA 3.02Å; D571-K575 PolarHBondContact O-N 2.92Å; P572-K575 WeakPolarHBondContact O-CD 3.17Å; P572-K575 WeakPolarHBondContact O-CE 2.99Å; P572-K575 PolarHBondContact O-NZ 2.85Å; T573-K575 VanDerWaalsContact C-N 3.27Å; T573-K575 PolarHBondContact O-N 3.48Å; K575-V604 WeakPolarHBondContact O-CG1 3.29Å; K575-I639 HydrophobicContact CB-CD1 4.31Å; K575-I639 HydrophobicContact CD-CG2 3.76Å; K575-I639 HydrophobicContact CG-CD1 4.42Å; K575-I639 HydrophobicContact CG-CG2 4.35Å; K575-S640 PolarHBondContact NZ-OG 3Å
576	I	72.4	Confident	84	Confident	56 Å²	56	47.6 Å²	47.6	29%	0.287	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	154.8	174.8	59	173.2	0	0	0	110.8	D571 D574 K578	D571-I576 WeakPolarHBondContact CB-O 3.28Å; D571-I576 PolarHBondContact N-O 3.42Å; D574-I576 HydrophobicContact CB-CD1 4.25Å; D574-I576 HydrophobicContact CB-CG1 3.78Å; D574-I576 PolarHBondContact O-N 2.87Å; I576-K578 HydrophobicContact CD1-CG 4.18Å; I576-K578 HydrophobicContact CG1-CG 4.07Å
577	C	83	Confident	83.7	Confident	13 Å²	13	44.9 Å²	44.9	9%	0.088	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	131.4	168.3	-73.1	0	0	0	0	110.1	W568 Y569 N595 C598 E599	W568-C577 HydrophobicContact CE3-CB 4.22Å; Y569-C577 CarbonylContact O-C 3.59Å; Y569-C577 WeakPolarHBondContact O-CA 3.08Å; C577-N595 WeakPolarHBondContact CB-OD1 3.4Å; C577-C598 HydrophobicContact CB-CB 3.83Å; C577-C598 WeakPolarHBondContact CB-SG 3.01Å; C577-C598 WeakPolarHBondContact SG-CB 2.99Å; C577-C598 CovalentContact SG-SG 2.03Å; C577-C598 PolarHBondContact SG-SG 2.02Å; C577-E599 HydrophobicContact CB-CG 4.05Å; C577-E599 PolarHBondContact SG-N 2.9Å; C577-E599 VanDerWaalsContact SG-N 3.38Å
578	K	87.5	Confident	83.6	Confident	59 Å²	59	44 Å²	44	26%	0.257	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	153.9	179.4	-65.7	-178.5	-175.5	169.1	0	110	W568 Y569 D571 D574 I576	W568-K578 CarbonylContact C-O 3.51Å; W568-K578 WeakPolarHBondContact CA-O 3.26Å; Y569-K578 HydrophobicContact CD1-CB 4.18Å; Y569-K578 VanDerWaalsContact CD1-O 3.3Å; Y569-K578 WeakPolarHBondContact CD1-O 3.4Å; Y569-K578 HydrophobicContact CE1-CB 3.64Å; Y569-K578 PolarHBondContact N-O 3.31Å; Y569-K578 PolarHBondContact O-N 3.05Å; D571-K578 HydrophobicContact CB-CD 3.99Å; D571-K578 HydrophobicContact CB-CG 4.34Å; D571-K578 WeakPolarHBondContact OD2-CD 3.33Å; D571-K578 WeakPolarHBondContact OD2-CE 3.05Å; D571-K578 IonicContact OD2-NZ 2.83Å; D571-K578 PolarHBondContact OD2-NZ 3.45Å; D574-K578 WeakPolarHBondContact OD2-CE 3Å; D574-K578 IonicContact OD2-NZ 2.72Å; D574-K578 PolarHBondContact OD2-NZ 2.86Å; I576-K578 HydrophobicContact CD1-CG 4.18Å; I576-K578 HydrophobicContact CG1-CG 4.07Å
579	T	91.8	Very high	83.5	Confident	78 Å²	78	41 Å²	41	48%	0.479	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	148.9	171.2	50.2	0	0	0	0	111.9	R567 W568	R567-T579 CarbonylContact O-C 3.59Å; R567-T579 WeakPolarHBondContact O-CA 3.37Å; W568-T579 HydrophobicContact CD2-CG2 3.88Å; W568-T579 HydrophobicContact CE3-CG2 4.02Å; W568-T579 HydrophobicContact CH2-CG2 3.72Å; W568-T579 HydrophobicContact CZ2-CG2 3.54Å; W568-T579 HydrophobicContact CZ3-CG2 3.96Å
580	F	94.2	Very high	83.5	Confident	14 Å²	14	40.8 Å²	40.8	6%	0.061	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	157.5	166.6	78.3	-71.5	0	0	0	111.1	R555 A556 R567 Y569 Y582 N591	R555-F580 HydrophobicContact CB-CB 4.44Å; R555-F580 HydrophobicContact CB-CD2 4.12Å; R555-F580 HydrophobicContact CB-CG 4.11Å; A556-F580 WeakPolarHBondContact O-CE2 3.34Å; R567-F580 HydrophobicContact CB-CD1 4.05Å; R567-F580 HydrophobicContact CB-CE1 3.55Å; R567-F580 HydrophobicContact CB-CZ 4Å; R567-F580 PolarHBondContact N-O 2.03Å; R567-F580 WeakPolarHBondContact O-CD1 3.48Å; R567-F580 PolarHBondContact O-N 3.03Å; Y569-F580 HydrophobicContact CD1-CB 3.92Å; Y569-F580 AromaticContact CD1-CD1 3.68Å; Y569-F580 HydrophobicContact CD1-CD1 3.68Å; Y569-F580 HydrophobicContact CD1-CG 4.06Å; Y569-F580 HydrophobicContact CE1-CB 4.17Å; Y569-F580 HydrophobicContact CG-CD1 4.16Å; F580-Y582 HydrophobicContact CE2-CD2 4.33Å; F580-Y582 PolarHBondContact O-N 2.86Å; F580-N591 HydrophobicContact CE1-CB 4.48Å; F580-N591 HydrophobicContact CZ-CB 4.06Å
581	T	92.9	Very high	83.9	Confident	87 Å²	87	41.4 Å²	41.4	53%	0.534	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	118.7	173.3	-49.1	0	0	0	0	110	P564 L583	P564-T581 HydrophobicContact CB-CG2 3.75Å; T581-L583 HydrophobicContact CG2-CD2 4.32Å
582	Y	90.1	Very high	84.3	Confident	25 Å²	25	40.7 Å²	40.7	10%	0.098	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.9	172.1	179.4	-124.5	0	0	0	110.1	P557 P564 T565 R567 F580 G584 C585 N591	P557-Y582 WeakPolarHBondContact O-CD2 3.43Å; P564-Y582 CarbonylContact C-O 3.56Å; P564-Y582 WeakPolarHBondContact CA-O 3.39Å; T565-Y582 PolarHBondContact N-O 3.42Å; T565-Y582 PolarHBondContact O-N 2.92Å; R567-Y582 VanDerWaalsContact CG-CB 3.44Å; R567-Y582 HydrophobicContact CG-CD1 4.09Å; R567-Y582 HydrophobicContact CG-CG 4.08Å; F580-Y582 HydrophobicContact CE2-CD2 4.33Å; F580-Y582 PolarHBondContact O-N 2.86Å; Y582-G584 VanDerWaalsContact C-N 3.3Å; Y582-G584 WeakPolarHBondContact CE1-O 3.15Å; Y582-G584 VanDerWaalsContact CZ-O 3.3Å; Y582-G584 PolarHBondContact O-N 3.05Å; Y582-G584 PolarHBondContact OH-O 3.21Å; Y582-G584 VanDerWaalsContact OH-O 3.05Å; Y582-C585 WeakPolarHBondContact CE2-O 3.32Å; Y582-C585 VanDerWaalsContact OH-C 3.27Å; Y582-C585 VanDerWaalsContact OH-CA 3.29Å; Y582-C585 WeakPolarHBondContact OH-CA 3.12Å; Y582-C585 PolarHBondContact OH-N 2.04Å; Y582-C585 PolarHBondContact OH-O 3.04Å; Y582-N591 WeakPolarHBondContact CD2-ND2 3.38Å; Y582-N591 VanDerWaalsContact CE2-ND2 3.28Å; Y582-N591 WeakPolarHBondContact CE2-ND2 3.42Å; Y582-N591 VanDerWaalsContact CG-ND2 3.26Å
583	L	87	Confident	85.1	Confident	49 Å²	49	43.3 Å²	43.3	26%	0.257	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-8.1	-172.3	-57.8	-177.8	0	0	0	113.7	P557 T559 A560 C561 P564 T581	P557-L583 HydrophobicContact CB-CD1 4.33Å; P557-L583 HydrophobicContact CB-CG 4.21Å; P557-L583 WeakPolarHBondContact O-CB 3.38Å; P557-L583 PolarHBondContact O-N 2.02Å; T559-L583 CarbonylContact O-C 3.53Å; A560-L583 WeakPolarHBondContact CA-O 3.39Å; A560-L583 HydrophobicContact CB-CB 4.44Å; C561-L583 PolarHBondContact N-O 3.22Å; P564-L583 HydrophobicContact CB-CD2 4.29Å; T581-L583 HydrophobicContact CG2-CD2 4.32Å
584	G	82.3	Confident	85.7	Confident	25 Å²	25	40.7 Å²	40.7	26%	0.258	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	125.3	-36.6	167.4	0	0	0	0	0	114.6	Y582	Y582-G584 VanDerWaalsContact C-N 3.3Å; Y582-G584 WeakPolarHBondContact CE1-O 3.15Å; Y582-G584 VanDerWaalsContact CZ-O 3.3Å; Y582-G584 PolarHBondContact O-N 3.05Å; Y582-G584 PolarHBondContact OH-O 3.21Å; Y582-G584 VanDerWaalsContact OH-O 3.05Å
585	C	83.6	Confident	86.5	Confident	11 Å²	11	38 Å²	38	7%	0.074	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	170.2	-176.8	-72.9	0	0	0	0	112	P426 S428 G558 T559 C561 Y582 G587	P426-C585 HydrophobicContact CB-CB 3.54Å; P426-C585 HydrophobicContact CG-CB 4.11Å; S428-C585 PolarHBondContact OG-SG 3.31Å; G558-C585 CarbonylContact C-O 3.54Å; G558-C585 VanDerWaalsContact CA-O 3.23Å; G558-C585 WeakPolarHBondContact CA-O 3.25Å; T559-C585 PolarHBondContact N-O 2.03Å; T559-C585 PolarHBondContact O-N 3.08Å; T559-C585 VanDerWaalsContact O-N 3.08Å; C561-C585 HydrophobicContact CB-CB 3.7Å; C561-C585 WeakPolarHBondContact CB-SG 3.31Å; C561-C585 WeakPolarHBondContact SG-CB 3.47Å; C561-C585 PolarHBondContact SG-N 3.4Å; C561-C585 CovalentContact SG-SG 2.02Å; C561-C585 PolarHBondContact SG-SG 3.14Å; Y582-C585 WeakPolarHBondContact CE2-O 3.32Å; Y582-C585 VanDerWaalsContact OH-C 3.27Å; Y582-C585 VanDerWaalsContact OH-CA 3.29Å; Y582-C585 WeakPolarHBondContact OH-CA 3.12Å; Y582-C585 PolarHBondContact OH-N 2.04Å; Y582-C585 PolarHBondContact OH-O 3.04Å; C585-G587 PolarHBondContact O-N 3.48Å
586	D	80	Confident	86.8	Confident	58 Å²	58	39.1 Å²	39.1	31%	0.31	23%	0.225	S	C	.	.	S	Bend	trans	48.1	37.3	169.4	-49.8	-28	0	0	0	116.4	P426 S427 G558 T559	P426-D586 WeakPolarHBondContact CA-OD2 3.49Å; P426-D586 VanDerWaalsContact CB-OD2 3.28Å; P426-D586 WeakPolarHBondContact CB-OD2 3.19Å; S427-D586 VanDerWaalsContact CB-OD1 3.23Å; S427-D586 WeakPolarHBondContact CB-OD1 3.46Å; S427-D586 PolarHBondContact N-OD1 3.39Å; S427-D586 PolarHBondContact N-OD2 2.86Å; S427-D586 PolarHBondContact OG-OD1 3.07Å; G558-D586 VanDerWaalsContact CA-O 3.26Å; G558-D586 WeakPolarHBondContact CA-O 3.42Å; T559-D586 PolarHBondContact OG1-OD2 2.9Å
587	G	84.2	Confident	87.4	Confident	30 Å²	30	40.8 Å²	40.8	31%	0.309	23%	0.227	S	C	.	.			trans	-76	-163.9	168.2	0	0	0	0	0	111.2	C585	C585-G587 PolarHBondContact O-N 3.48Å
588	N	90.2	Very high	87.5	Confident	50 Å²	50	40.1 Å²	40.1	27%	0.267	22%	0.223	S	C	.	.			trans	-119.5	179.7	167.9	70.8	28.9	0	0	0	110.5	L553 N554 A556 N590 N591	L553-N588 HydrophobicContact CD1-CB 3.99Å; N554-N588 PolarHBondContact O-ND2 2.91Å; A556-N588 HydrophobicContact CB-CB 4.08Å; A556-N588 WeakPolarHBondContact CB-ND2 3.43Å; N588-N590 PolarHBondContact O-N 3.02Å; N588-N590 VanDerWaalsContact O-N 3.14Å; N588-N590 WeakPolarHBondContact OD1-CA 3.34Å; N588-N590 WeakPolarHBondContact OD1-CB 2.96Å; N588-N590 PolarHBondContact OD1-N 3.32Å; N588-N591 WeakPolarHBondContact O-CB 3.31Å
589	S	92.2	Very high	87.1	Confident	12 Å²	12	39 Å²	39	8%	0.084	22%	0.219	C	C	.	.	S	Bend	trans	-62.3	-19.6	-177.1	-48.4	0	0	0	0	114.2	Q505 P545 T550 N591	Q505-S589 WeakPolarHBondContact CG-O 3.45Å; Q505-S589 PolarHBondContact NE2-O 3.05Å; P545-S589 WeakPolarHBondContact CG-OG 3.29Å; T550-S589 WeakPolarHBondContact CG2-O 3.19Å; T550-S589 WeakPolarHBondContact OG1-CB 3.37Å; S589-N591 PolarHBondContact O-N 2.77Å
590	N	93	Very high	86.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.228	C	C	.	.			trans	-84.1	59	177.7	-163.4	4.5	0	0	0	111	T550 L553 Y569 F570 N588 F592	T550-N590 WeakPolarHBondContact O-CB 3.02Å; L553-N590 HydrophobicContact CB-CB 4.12Å; L553-N590 PolarHBondContact O-ND2 3.2Å; Y569-N590 WeakPolarHBondContact CA-OD1 3.03Å; Y569-N590 VanDerWaalsContact CB-O 3.31Å; Y569-N590 WeakPolarHBondContact CB-O 3.42Å; F570-N590 PolarHBondContact N-OD1 3.34Å; F570-N590 PolarHBondContact O-ND2 2.85Å; N588-N590 PolarHBondContact O-N 3.02Å; N588-N590 VanDerWaalsContact O-N 3.14Å; N588-N590 WeakPolarHBondContact OD1-CA 3.34Å; N588-N590 WeakPolarHBondContact OD1-CB 2.96Å; N588-N590 PolarHBondContact OD1-N 3.32Å; N590-F592 WeakPolarHBondContact OD1-CE2 3.45Å
591	N	94	Very high	85.7	Confident	20 Å²	20	45 Å²	45	11%	0.107	23%	0.233	C	C	.	.			trans	-144.5	107.6	-177.2	-179.2	-24.2	0	0	0	108.8	Q505 R567 F580 Y582 N588 S589	Q505-N591 PolarHBondContact NE2-O 2.94Å; R567-N591 WeakPolarHBondContact CB-OD1 3.49Å; R567-N591 WeakPolarHBondContact CG-OD1 3.36Å; R567-N591 PolarHBondContact NH1-OD1 3.1Å; F580-N591 HydrophobicContact CE1-CB 4.48Å; F580-N591 HydrophobicContact CZ-CB 4.06Å; Y582-N591 WeakPolarHBondContact CD2-ND2 3.38Å; Y582-N591 VanDerWaalsContact CE2-ND2 3.28Å; Y582-N591 WeakPolarHBondContact CE2-ND2 3.42Å; Y582-N591 VanDerWaalsContact CG-ND2 3.26Å; N588-N591 WeakPolarHBondContact O-CB 3.31Å; S589-N591 PolarHBondContact O-N 2.77Å
592	F	92.6	Very high	85	Confident	1 Å²	1	41.5 Å²	41.5	0%	0.004	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-117.6	146.2	-175.6	-54	-83.3	0	0	0	110.6	Q505 T550 W568 N590 T594 R597 C598 Y601	Q505-F592 HydrophobicContact CG-CD1 4.36Å; Q505-F592 HydrophobicContact CG-CE1 3.61Å; Q505-F592 HydrophobicContact CG-CZ 4.16Å; T550-F592 HydrophobicContact CG2-CZ 4.35Å; W568-F592 HydrophobicContact CB-CB 4.21Å; W568-F592 PolarHBondContact N-O 2.86Å; W568-F592 WeakPolarHBondContact O-CD2 3.02Å; W568-F592 PolarHBondContact O-N 3.49Å; N590-F592 WeakPolarHBondContact OD1-CE2 3.45Å; F592-T594 VanDerWaalsContact C-N 3.35Å; F592-R597 HydrophobicContact CD1-CG 3.9Å; F592-C598 HydrophobicContact CB-CB 3.87Å; F592-C598 HydrophobicContact CD1-CB 4.49Å; F592-C598 HydrophobicContact CD2-CB 3.39Å; F592-C598 VanDerWaalsContact CD2-SG 3.6Å; F592-C598 HydrophobicContact CE2-CB 3.99Å; F592-C598 HydrophobicContact CG-CB 3.68Å; F592-Y601 AromaticContact CE1-CD1 3.74Å; F592-Y601 HydrophobicContact CE1-CD1 3.74Å; F592-Y601 AromaticContact CE1-CG 3.72Å; F592-Y601 HydrophobicContact CE1-CG 3.72Å; F592-Y601 AromaticContact CZ-CD1 3.65Å; F592-Y601 HydrophobicContact CZ-CD1 3.65Å; F592-Y601 HydrophobicContact CZ-CG 4.08Å
593	D	87.1	Confident	83.9	Confident	81 Å²	81	44.4 Å²	44.4	43%	0.433	23%	0.229	S	C	.	.	S	Bend	trans	-65.8	-35.5	174.9	42.8	40.1	0	0	0	113	R597	D593-R597 WeakPolarHBondContact OD1-CB 3.1Å; D593-R597 WeakPolarHBondContact OD1-CD 3.47Å; D593-R597 WeakPolarHBondContact OD2-CD 3.18Å; D593-R597 IonicContact OD2-CZ 3.61Å; D593-R597 IonicContact OD2-NE 2.69Å; D593-R597 IonicContact OD2-NH1 3.67Å; D593-R597 PolarHBondContact OD2-NH1 2.74Å
594	T	86.2	Confident	82.4	Confident	57 Å²	57	43 Å²	43	35%	0.35	22%	0.222	S	C	.	.	S	Bend	trans	-138	153.4	-168.5	53.4	0	0	0	0	110.9	F592 E596 R597 C598	F592-T594 VanDerWaalsContact C-N 3.35Å; T594-E596 VanDerWaalsContact C-N 3.3Å; T594-E596 PolarHBondContact O-N 2.81Å; T594-R597 PolarHBondContact O-N 3.28Å; T594-R597 WeakPolarHBondContact OG1-CB 2.96Å; T594-R597 PolarHBondContact OG1-N 2.72Å; T594-C598 PolarHBondContact O-N 2.86Å; T594-C598 VanDerWaalsContact O-N 3.14Å
595	N	84.3	Confident	81	Confident	26 Å²	26	43.2 Å²	43.2	14%	0.139	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-43.7	176	-172.2	34	0	0	0	110.3	W568 C577 R597 C598 E599	W568-N595 HydrophobicContact CD2-CB 3.64Å; W568-N595 HydrophobicContact CE3-CB 3.71Å; W568-N595 VanDerWaalsContact CE3-OD1 3.28Å; W568-N595 HydrophobicContact CG-CB 4.29Å; W568-N595 HydrophobicContact CH2-CB 3.86Å; W568-N595 HydrophobicContact CZ2-CB 3.8Å; W568-N595 HydrophobicContact CZ3-CB 3.82Å; W568-N595 WeakPolarHBondContact CZ3-OD1 3.24Å; C577-N595 WeakPolarHBondContact CB-OD1 3.4Å; N595-R597 VanDerWaalsContact C-N 3.28Å; N595-R597 PolarHBondContact O-N 3.27Å; N595-C598 CarbonylContact O-C 3.5Å; N595-C598 WeakPolarHBondContact O-CA 3.41Å; N595-C598 WeakPolarHBondContact O-CB 3.25Å; N595-C598 PolarHBondContact O-N 3.04Å; N595-C598 VanDerWaalsContact O-N 3.09Å; N595-E599 PolarHBondContact ND2-OE1 2.59Å; N595-E599 WeakPolarHBondContact O-CB 3.44Å; N595-E599 WeakPolarHBondContact O-CG 3.48Å; N595-E599 PolarHBondContact O-N 3.45Å; N595-E599 PolarHBondContact OD1-OE1 3.44Å
596	E	74.7	Confident	79.7	Confident	69 Å²	69	44 Å²	44	32%	0.322	23%	0.234	S	C	.	.	H	α-helix	trans	-62.1	-34	-178.4	-63.5	79	-179.8	0	0	112.4	T594 R600	T594-E596 VanDerWaalsContact C-N 3.3Å; T594-E596 PolarHBondContact O-N 2.81Å; E596-R600 WeakPolarHBondContact O-CB 3.27Å; E596-R600 PolarHBondContact O-N 3.38Å
597	R	84.1	Confident	79.1	Confident	91 Å²	91	41.6 Å²	41.6	34%	0.343	22%	0.222	S	C	.	.	H	α-helix	trans	-72.1	-42.7	173.5	-174.1	-174.3	175.6	156	5	111.1	P504 Q505 F592 D593 T594 N595 Y601	P504-R597 PolarHBondContact O-NH2 2.02Å; Q505-R597 VanDerWaalsContact OE1-NE 3.12Å; F592-R597 HydrophobicContact CD1-CG 3.9Å; D593-R597 WeakPolarHBondContact OD1-CB 3.1Å; D593-R597 WeakPolarHBondContact OD1-CD 3.47Å; D593-R597 WeakPolarHBondContact OD2-CD 3.18Å; D593-R597 IonicContact OD2-CZ 3.61Å; D593-R597 IonicContact OD2-NE 2.69Å; D593-R597 IonicContact OD2-NH1 3.67Å; D593-R597 PolarHBondContact OD2-NH1 2.74Å; T594-R597 PolarHBondContact O-N 3.28Å; T594-R597 WeakPolarHBondContact OG1-CB 2.96Å; T594-R597 PolarHBondContact OG1-N 2.72Å; N595-R597 VanDerWaalsContact C-N 3.28Å; N595-R597 PolarHBondContact O-N 3.27Å; R597-Y601 WeakPolarHBondContact O-CB 3.44Å; R597-Y601 PolarHBondContact O-N 2.99Å
598	C	86.3	Confident	78.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.2	-49.7	173.6	178.3	0	0	0	0	111.2	W568 F570 C577 F592 T594 N595 Y601 C602	W568-C598 HydrophobicContact CB-CB 3.95Å; F570-C598 PolarHBondContact N-SG 3.37Å; F570-C598 VanDerWaalsContact N-SG 3.39Å; C577-C598 HydrophobicContact CB-CB 3.83Å; C577-C598 WeakPolarHBondContact CB-SG 3.01Å; C577-C598 WeakPolarHBondContact SG-CB 2.99Å; C577-C598 CovalentContact SG-SG 2.03Å; C577-C598 PolarHBondContact SG-SG 2.02Å; F592-C598 HydrophobicContact CB-CB 3.87Å; F592-C598 HydrophobicContact CD1-CB 4.49Å; F592-C598 HydrophobicContact CD2-CB 3.39Å; F592-C598 VanDerWaalsContact CD2-SG 3.6Å; F592-C598 HydrophobicContact CE2-CB 3.99Å; F592-C598 HydrophobicContact CG-CB 3.68Å; T594-C598 PolarHBondContact O-N 2.86Å; T594-C598 VanDerWaalsContact O-N 3.14Å; N595-C598 CarbonylContact O-C 3.5Å; N595-C598 WeakPolarHBondContact O-CA 3.41Å; N595-C598 WeakPolarHBondContact O-CB 3.25Å; N595-C598 PolarHBondContact O-N 3.04Å; N595-C598 VanDerWaalsContact O-N 3.09Å; C598-Y601 PolarHBondContact O-N 2.88Å; C598-C602 WeakPolarHBondContact O-CB 3.49Å; C598-C602 PolarHBondContact O-N 3.38Å
599	E	78.1	Confident	77.1	Confident	34 Å²	34	39.5 Å²	39.5	16%	0.159	20%	0.204	C	C	.	.	H	α-helix	trans	-65.2	-46.8	-176.3	-69.6	174.6	158.4	0	0	111.6	C577 N595 D603 V604 K612	C577-E599 HydrophobicContact CB-CG 4.05Å; C577-E599 PolarHBondContact SG-N 2.9Å; C577-E599 VanDerWaalsContact SG-N 3.38Å; N595-E599 PolarHBondContact ND2-OE1 2.59Å; N595-E599 WeakPolarHBondContact O-CB 3.44Å; N595-E599 WeakPolarHBondContact O-CG 3.48Å; N595-E599 PolarHBondContact O-N 3.45Å; N595-E599 PolarHBondContact OD1-OE1 3.44Å; E599-D603 WeakPolarHBondContact O-CA 3.46Å; E599-D603 PolarHBondContact O-N 3.44Å; E599-D603 VanDerWaalsContact O-N 3.07Å; E599-V604 HydrophobicContact CB-CB 4.05Å; E599-V604 HydrophobicContact CG-CB 4.04Å; E599-V604 HydrophobicContact CG-CG1 4.43Å; E599-V604 PolarHBondContact O-N 2.86Å; E599-K612 IonicContact OE1-NZ 3.19Å; E599-K612 PolarHBondContact OE1-NZ 2.95Å; E599-K612 VanDerWaalsContact OE2-CE 3.25Å; E599-K612 WeakPolarHBondContact OE2-CE 3.42Å; E599-K612 IonicContact OE2-NZ 3.21Å; E599-K612 PolarHBondContact OE2-NZ 3.22Å
600	R	75.7	Confident	75.8	Confident	182 Å²	182	39.7 Å²	39.7	69%	0.687	21%	0.209	S	C	*	.	H	α-helix	trans	-67.7	-35.5	177.8	-168.6	-168.9	-47.9	139.7	12	112.8	E596	E596-R600 WeakPolarHBondContact O-CB 3.27Å; E596-R600 PolarHBondContact O-N 3.38Å
601	Y	80.5	Confident	74.5	Confident	38 Å²	38	40.1 Å²	40.1	15%	0.149	21%	0.213	C	C	.	.	H	α-helix	trans	-75.9	-39.2	179.6	-171.1	-89.6	0	0	0	111.8	P504 Q505 K547 T550 F592 R597 C598	P504-Y601 HydrophobicContact CB-CE2 4.38Å; Q505-Y601 HydrophobicContact CB-CD1 4.4Å; Q505-Y601 HydrophobicContact CB-CD2 3.98Å; Q505-Y601 HydrophobicContact CB-CE1 3.91Å; Q505-Y601 HydrophobicContact CB-CE2 3.44Å; Q505-Y601 VanDerWaalsContact CB-CE2 3.44Å; Q505-Y601 HydrophobicContact CB-CG 4.42Å; Q505-Y601 HydrophobicContact CG-CD1 4.21Å; Q505-Y601 HydrophobicContact CG-CD2 4.48Å; Q505-Y601 HydrophobicContact CG-CE1 3.96Å; Q505-Y601 HydrophobicContact CG-CE2 4.27Å; Q505-Y601 HydrophobicContact CG-CG 4.46Å; K547-Y601 WeakPolarHBondContact CA-OH 3.38Å; K547-Y601 HydrophobicContact CB-CE1 4.15Å; K547-Y601 WeakPolarHBondContact CD-O 3.43Å; K547-Y601 WeakPolarHBondContact CE-O 3.45Å; K547-Y601 HydrophobicContact CG-CE1 4.09Å; K547-Y601 WeakPolarHBondContact CG-O 3.2Å; K547-Y601 PolarHBondContact NZ-O 2.7Å; T550-Y601 HydrophobicContact CG2-CD1 4.23Å; T550-Y601 HydrophobicContact CG2-CE1 3.64Å; F592-Y601 AromaticContact CE1-CD1 3.74Å; F592-Y601 HydrophobicContact CE1-CD1 3.74Å; F592-Y601 AromaticContact CE1-CG 3.72Å; F592-Y601 HydrophobicContact CE1-CG 3.72Å; F592-Y601 AromaticContact CZ-CD1 3.65Å; F592-Y601 HydrophobicContact CZ-CD1 3.65Å; F592-Y601 HydrophobicContact CZ-CG 4.08Å; R597-Y601 WeakPolarHBondContact O-CB 3.44Å; R597-Y601 PolarHBondContact O-N 2.99Å; C598-Y601 PolarHBondContact O-N 2.88Å
602	C	77.7	Confident	73.5	Confident	13 Å²	13	44.2 Å²	44.2	9%	0.088	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	13.6	-178.1	-69	0	0	0	0	115.4	C551 F570 C598 V604	C551-C602 HydrophobicContact CB-CB 3.73Å; C551-C602 WeakPolarHBondContact CB-SG 3.39Å; C551-C602 WeakPolarHBondContact SG-CA 3.37Å; C551-C602 WeakPolarHBondContact SG-CB 3.22Å; C551-C602 CovalentContact SG-SG 2.03Å; C551-C602 PolarHBondContact SG-SG 3.06Å; F570-C602 HydrophobicContact CB-CB 3.85Å; F570-C602 HydrophobicContact CD1-CB 4.05Å; F570-C602 HydrophobicContact CD2-CB 4.07Å; F570-C602 HydrophobicContact CG-CB 3.72Å; C598-C602 WeakPolarHBondContact O-CB 3.49Å; C598-C602 PolarHBondContact O-N 3.38Å; C602-V604 HydrophobicContact CB-CG2 3.56Å; C602-V604 PolarHBondContact O-N 2.94Å
603	D	67.8	Low	72.7	Confident	86 Å²	86	45.1 Å²	45.1	46%	0.46	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	37.1	-178.6	-57.8	-36.3	0	0	0	113.8	K547 E599 G605 G606	K547-D603 WeakPolarHBondContact CE-OD2 3.35Å; K547-D603 IonicContact NZ-OD1 2.82Å; K547-D603 PolarHBondContact NZ-OD1 3.29Å; K547-D603 IonicContact NZ-OD2 3.59Å; K547-D603 PolarHBondContact NZ-OD2 3.24Å; E599-D603 WeakPolarHBondContact O-CA 3.46Å; E599-D603 PolarHBondContact O-N 3.44Å; E599-D603 VanDerWaalsContact O-N 3.07Å; D603-G605 PolarHBondContact O-N 2.87Å; D603-G606 PolarHBondContact O-N 2.89Å
604	V	55.9	Low	72.2	Confident	19 Å²	19	42.5 Å²	42.5	12%	0.115	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	55	-177.5	-159.9	0	0	0	0	110.1	F570 K575 E599 C602	F570-V604 HydrophobicContact CD2-CB 4.35Å; F570-V604 HydrophobicContact CD2-CG1 4.12Å; F570-V604 HydrophobicContact CD2-CG2 3.28Å; F570-V604 HydrophobicContact CE2-CB 4.26Å; F570-V604 HydrophobicContact CE2-CG1 3.93Å; F570-V604 HydrophobicContact CE2-CG2 3.45Å; F570-V604 VanDerWaalsContact CE2-CG2 3.45Å; F570-V604 HydrophobicContact CG-CG2 4.19Å; F570-V604 HydrophobicContact CZ-CG2 4.46Å; K575-V604 WeakPolarHBondContact O-CG1 3.29Å; E599-V604 HydrophobicContact CB-CB 4.05Å; E599-V604 HydrophobicContact CG-CB 4.04Å; E599-V604 HydrophobicContact CG-CG1 4.43Å; E599-V604 PolarHBondContact O-N 2.86Å; C602-V604 HydrophobicContact CB-CG2 3.56Å; C602-V604 PolarHBondContact O-N 2.94Å
605	G	52.3	Low	71.5	Confident	30 Å²	30	44.2 Å²	44.2	31%	0.309	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	166.9	28.9	-163.8	0	0	0	0	0	111	D603 C607	D603-G605 PolarHBondContact O-N 2.87Å; G605-C607 PolarHBondContact O-N 2.83Å
606	G	55.9	Low	71	Confident	26 Å²	26	46.1 Å²	46.1	27%	0.268	24%	0.243	S	C	.	.			trans	-68.8	26.3	-173.4	0	0	0	0	0	115.6	D603 V637	D603-G606 PolarHBondContact O-N 2.89Å; G606-V637 WeakPolarHBondContact O-CG2 3.29Å
607	C	68.4	Low	70.6	Confident	9 Å²	9	46 Å²	46	6%	0.061	25%	0.254	C	S	.	.			trans	-68.6	128.6	167.8	-65.3	0	0	0	0	109.2	G605 Y609 G610 C648	G605-C607 PolarHBondContact O-N 2.83Å; C607-Y609 PolarHBondContact O-N 3.19Å; C607-G610 WeakPolarHBondContact CB-O 3.46Å; C607-G610 PolarHBondContact O-N 3.11Å; C607-C648 WeakPolarHBondContact CA-SG 3.05Å; C607-C648 HydrophobicContact CB-CB 3.51Å; C607-C648 WeakPolarHBondContact CB-SG 3.44Å; C607-C648 WeakPolarHBondContact SG-CA 3.26Å; C607-C648 WeakPolarHBondContact SG-CB 3.03Å; C607-C648 CovalentContact SG-SG 2.04Å; C607-C648 PolarHBondContact SG-SG 2.63Å
608	P	63.7	Low	70	Confident	30 Å²	30	52.5 Å²	52.5	20%	0.195	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-9.3	-166	32.3	-38.5	0	0	0	113.1	V635	P608-V635 HydrophobicContact CG-CB 4.41Å; P608-V635 HydrophobicContact CG-CG1 3.87Å; P608-V635 HydrophobicContact CG-CG2 3.88Å
609	Y	69	Low	69.3	Low	5 Å²	5	56.6 Å²	56.6	2%	0.02	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	9.4	179.7	-54.4	-56	0	0	0	112.2	C607 E633 R651 I654 F705 P713 P773 L774	C607-Y609 PolarHBondContact O-N 3.19Å; Y609-E633 WeakPolarHBondContact CE2-OE1 3.21Å; Y609-R651 HydrophobicContact CD1-CG 3.58Å; Y609-R651 HydrophobicContact CD2-CG 4.31Å; Y609-R651 HydrophobicContact CE1-CG 3.92Å; Y609-R651 HydrophobicContact CG-CG 3.79Å; Y609-I654 WeakPolarHBondContact O-CD1 3.38Å; Y609-F705 VanDerWaalsContact O-CE2 3.22Å; Y609-F705 WeakPolarHBondContact O-CE2 3.27Å; Y609-F705 WeakPolarHBondContact O-CZ 3.23Å; Y609-P713 WeakPolarHBondContact OH-CA 3.3Å; Y609-P713 VanDerWaalsContact OH-CG 3.29Å; Y609-P713 WeakPolarHBondContact OH-CG 3.28Å; Y609-P773 HydrophobicContact CD1-CB 3.54Å; Y609-P773 HydrophobicContact CD1-CG 3.57Å; Y609-P773 HydrophobicContact CE1-CB 3.9Å; Y609-P773 HydrophobicContact CE1-CG 3.49Å; Y609-P773 VanDerWaalsContact CE1-CG 3.49Å; Y609-L774 WeakPolarHBondContact O-CD1 3.36Å
610	G	64.1	Low	69.3	Low	17 Å²	17	57.9 Å²	57.9	18%	0.175	30%	0.301	C	S	.	.	S	Bend	trans	78	-168.5	-164.4	0	0	0	0	0	111.7	C607	C607-G610 WeakPolarHBondContact CB-O 3.46Å; C607-G610 PolarHBondContact O-N 3.11Å
611	G	67	Low	69.4	Low	8 Å²	8	53 Å²	53	8%	0.082	29%	0.291	C	S	.	.	S	Bend	trans	70.8	166	-170.6	0	0	0	0	0	114.4	D693	G611-D693 WeakPolarHBondContact CA-OD1 2.96Å; G611-D693 VanDerWaalsContact CA-OD2 3.32Å; G611-D693 WeakPolarHBondContact CA-OD2 3.01Å; G611-D693 PolarHBondContact N-OD1 2.81Å
612	K	71.8	Confident	69.2	Low	107 Å²	107	51.5 Å²	51.5	47%	0.465	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-92.1	146	177.9	-57.6	-168.7	179.8	-165.4	0	110.3	E599 P649	E599-K612 IonicContact OE1-NZ 3.19Å; E599-K612 PolarHBondContact OE1-NZ 2.95Å; E599-K612 VanDerWaalsContact OE2-CE 3.25Å; E599-K612 WeakPolarHBondContact OE2-CE 3.42Å; E599-K612 IonicContact OE2-NZ 3.21Å; E599-K612 PolarHBondContact OE2-NZ 3.22Å; K612-P649 WeakPolarHBondContact O-CD 3.12Å
613	P	75.3	Confident	68.8	Low	20 Å²	20	55.2 Å²	55.2	13%	0.13	31%	0.306	C	S	.	.	S	Bend	trans	-48.2	153.1	163.5	-29.3	36.8	0	0	0	111.7	R620 Y646 C647	P613-R620 HydrophobicContact CB-CG 3.64Å; P613-Y646 HydrophobicContact CB-CD1 4.15Å; P613-Y646 HydrophobicContact CB-CG 4.16Å; P613-Y646 HydrophobicContact CG-CD1 4.4Å; P613-Y646 HydrophobicContact CG-CD2 4.46Å; P613-Y646 HydrophobicContact CG-CG 4.09Å; P613-C647 WeakPolarHBondContact CA-O 3.36Å
614	H	78.2	Confident	68.6	Low	26 Å²	26	56.1 Å²	56.1	12%	0.12	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-47.8	131.3	-174.9	-168.4	-84.4	0	0	0	112.4	D616 Q619 R620 Y632 C647	H614-D616 PolarHBondContact ND1-N 3.17Å; H614-D616 PolarHBondContact O-N 2.81Å; H614-Q619 PolarHBondContact CE1-OE1 3.24Å; H614-Q619 PolarHBondContact NE2-OE1 3.2Å; H614-R620 WeakPolarHBondContact O-CB 3.28Å; H614-R620 WeakPolarHBondContact O-CG 3.14Å; H614-R620 PolarHBondContact O-NE 3.19Å; H614-Y632 HydrophobicContact CB-CD1 4.11Å; H614-Y632 HydrophobicContact CB-CE1 3.92Å; H614-Y632 AromaticContact CD2-CD2 3.84Å; H614-Y632 AromaticContact CD2-CE1 3.92Å; H614-Y632 AromaticContact CD2-CE2 3.54Å; H614-Y632 AromaticContact CD2-CZ 3.58Å; H614-C647 HydrophobicContact CB-CB 4.18Å; H614-C647 PolarHBondContact N-O 2.79Å
615	P	70.9	Confident	69.1	Low	92 Å²	92	58.5 Å²	58.5	60%	0.597	33%	0.331	S	S	*	.	S	Bend	trans	-64.1	-42.2	-168.4	22.2	-33.4	0	0	0	112.7	A617 R620	P615-A617 PolarHBondContact O-N 3.17Å; P615-R620 PolarHBondContact O-NH2 2.9Å
616	D	72.8	Confident	69.9	Low	66 Å²	66	58.5 Å²	58.5	35%	0.353	33%	0.331	S	S	.	.	S	Bend	trans	-63.6	118.6	171.6	175.8	10.4	0	0	0	110.5	H614 R618 Q619 R620	H614-D616 PolarHBondContact ND1-N 3.17Å; H614-D616 PolarHBondContact O-N 2.81Å; D616-R618 PolarHBondContact O-N 3.44Å; D616-R618 VanDerWaalsContact O-N 3.16Å; D616-R618 WeakPolarHBondContact OD1-CB 3.45Å; D616-R618 PolarHBondContact OD1-N 3.34Å; D616-Q619 CarbonylContact O-C 3.4Å; D616-Q619 PolarHBondContact O-N 2.69Å; D616-R620 WeakPolarHBondContact O-CB 3.42Å; D616-R620 PolarHBondContact O-N 3.3Å
617	A	66.3	Low	71	Confident	68 Å²	68	63.3 Å²	63.3	56%	0.562	35%	0.35	S	S	*	.	H	α-helix	trans	-55.3	-29.8	178	0	0	0	0	0	113.5	P615 Q619	P615-A617 PolarHBondContact O-N 3.17Å; A617-Q619 VanDerWaalsContact C-N 3.34Å
618	R	71.3	Confident	71.6	Confident	226 Å²	226	64.2 Å²	64.2	85%	0.853	36%	0.356	S	S	*	.	H	α-helix	trans	-71.6	-27.4	178.7	-61.4	179.9	176.1	-173.2	-0	113.5	D616	D616-R618 PolarHBondContact O-N 3.44Å; D616-R618 VanDerWaalsContact O-N 3.16Å; D616-R618 WeakPolarHBondContact OD1-CB 3.45Å; D616-R618 PolarHBondContact OD1-N 3.34Å
619	Q	73.3	Confident	72.6	Confident	86 Å²	86	64.5 Å²	64.5	40%	0.402	36%	0.358	S	S	.	.	H	α-helix	trans	-107.7	-5.1	179.2	-64.7	-179.4	-3.3	0	0	112.3	H614 D616 A617 P629 C647	H614-Q619 PolarHBondContact CE1-OE1 3.24Å; H614-Q619 PolarHBondContact NE2-OE1 3.2Å; D616-Q619 CarbonylContact O-C 3.4Å; D616-Q619 PolarHBondContact O-N 2.69Å; A617-Q619 VanDerWaalsContact C-N 3.34Å; Q619-P629 HydrophobicContact CB-CG 4.15Å; Q619-P629 HydrophobicContact CG-CG 4.38Å; Q619-C647 VanDerWaalsContact O-CB 3.3Å; Q619-C647 WeakPolarHBondContact O-CB 3.17Å; Q619-C647 PolarHBondContact O-SG 2.8Å
620	R	78.2	Confident	73.2	Confident	61 Å²	61	71.6 Å²	71.6	23%	0.23	40%	0.401	C	S	.	.	H	α-helix	trans	-62.5	-45	179.5	-166.9	178.1	-61.9	163.1	4.9	111.8	P613 H614 P615 D616 Y646 C647	P613-R620 HydrophobicContact CB-CG 3.64Å; H614-R620 WeakPolarHBondContact O-CB 3.28Å; H614-R620 WeakPolarHBondContact O-CG 3.14Å; H614-R620 PolarHBondContact O-NE 3.19Å; P615-R620 PolarHBondContact O-NH2 2.9Å; D616-R620 WeakPolarHBondContact O-CB 3.42Å; D616-R620 PolarHBondContact O-N 3.3Å; R620-Y646 HydrophobicContact CG-CD1 3.87Å; R620-Y646 HydrophobicContact CG-CE1 4.17Å; R620-Y646 CarbonylContact O-C 3.55Å; R620-Y646 VanDerWaalsContact O-CA 3.22Å; R620-Y646 WeakPolarHBondContact O-CA 3.26Å; R620-Y646 WeakPolarHBondContact O-CD1 3.23Å; R620-C647 PolarHBondContact O-N 3.38Å
621	V	76.3	Confident	74	Confident	79 Å²	79	72 Å²	72	48%	0.479	41%	0.405	S	S	.	.	S	Bend	trans	-99.7	115.6	179.2	177.1	0	0	0	0	109	R645 Y646	V621-R645 WeakPolarHBondContact CA-O 3.24Å; V621-R645 WeakPolarHBondContact CG1-O 3.37Å; V621-Y646 HydrophobicContact CG2-CD1 4.05Å; V621-Y646 HydrophobicContact CG2-CE1 3.82Å
622	C	77.1	Confident	75	Confident	7 Å²	7	74.8 Å²	74.8	5%	0.047	41%	0.414	C	S	.	.			trans	-77.3	144.4	168.6	37.1	0	0	0	0	110.8	C634 R645	C622-C634 HydrophobicContact CB-CB 3.78Å; C622-C634 WeakPolarHBondContact CB-SG 3.13Å; C622-C634 WeakPolarHBondContact SG-CA 3.25Å; C622-C634 WeakPolarHBondContact SG-CB 3.09Å; C622-C634 CovalentContact SG-SG 2.03Å; C622-C634 PolarHBondContact SG-SG 2.91Å; C622-R645 VanDerWaalsContact SG-CB 3.53Å
623	D	70.2	Confident	75.5	Confident	92 Å²	92	72.4 Å²	72.4	49%	0.492	40%	0.404	S	S	.	.			trans	-79.1	-167.8	177.6	73.3	0.4	0	0	0	112.3	S625 G626 R645	D623-S625 PolarHBondContact O-N 2.78Å; D623-S625 WeakPolarHBondContact OD1-CA 3.35Å; D623-S625 VanDerWaalsContact OD1-CB 3.27Å; D623-S625 WeakPolarHBondContact OD1-CB 3.47Å; D623-S625 PolarHBondContact OD1-N 3.39Å; D623-S625 PolarHBondContact OD1-OG 2.8Å; D623-S625 PolarHBondContact OD2-OG 2.93Å; D623-G626 PolarHBondContact O-N 2.75Å; D623-G626 PolarHBondContact OD1-N 3.24Å; D623-R645 PolarHBondContact O-NH1 2.78Å
624	V	63.7	Low	75.9	Confident	104 Å²	104	73.3 Å²	73.3	63%	0.63	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-20.4	176.5	-73.1	0	0	0	0	114.1	G626	V624-G626 VanDerWaalsContact C-N 3.25Å; V624-G626 PolarHBondContact O-N 2.85Å
625	S	65.5	Low	75.6	Confident	70 Å²	70	73.3 Å²	73.3	49%	0.49	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-15.4	175.1	78	0	0	0	0	112.8	D623 I627	D623-S625 PolarHBondContact O-N 2.78Å; D623-S625 WeakPolarHBondContact OD1-CA 3.35Å; D623-S625 VanDerWaalsContact OD1-CB 3.27Å; D623-S625 WeakPolarHBondContact OD1-CB 3.47Å; D623-S625 PolarHBondContact OD1-N 3.39Å; D623-S625 PolarHBondContact OD1-OG 2.8Å; D623-S625 PolarHBondContact OD2-OG 2.93Å; S625-I627 PolarHBondContact O-N 3.49Å; S625-I627 VanDerWaalsContact OG-CD1 3.31Å; S625-I627 WeakPolarHBondContact OG-CD1 3Å; S625-I627 VanDerWaalsContact OG-CG1 3.28Å; S625-I627 WeakPolarHBondContact OG-CG1 3.36Å
626	G	68.3	Low	75.5	Confident	30 Å²	30	71.3 Å²	71.3	31%	0.309	40%	0.398	S	S	.	.			trans	72.2	13.4	177.6	0	0	0	0	0	114.3	D623 V624 C634	D623-G626 PolarHBondContact O-N 2.75Å; D623-G626 PolarHBondContact OD1-N 3.24Å; V624-G626 VanDerWaalsContact C-N 3.25Å; V624-G626 PolarHBondContact O-N 2.85Å; G626-C634 VanDerWaalsContact O-CB 3.31Å; G626-C634 WeakPolarHBondContact O-CB 3.47Å
627	I	78.9	Confident	75	Confident	127 Å²	127	68.8 Å²	68.8	65%	0.651	39%	0.385	S	S	*	.			trans	-71	129.5	179.6	-64.7	170.2	0	0	0	109.8	S625	S625-I627 PolarHBondContact O-N 3.49Å; S625-I627 VanDerWaalsContact OG-CD1 3.31Å; S625-I627 WeakPolarHBondContact OG-CD1 3Å; S625-I627 VanDerWaalsContact OG-CG1 3.28Å; S625-I627 WeakPolarHBondContact OG-CG1 3.36Å
628	C	82.1	Confident	74.4	Confident	27 Å²	27	68 Å²	68	18%	0.182	38%	0.378	C	S	.	.			trans	-130.9	158.8	171.4	-73	0	0	0	0	110.5	Y632 C647	C628-Y632 WeakPolarHBondContact CB-O 3.32Å; C628-C647 WeakPolarHBondContact CA-SG 3.49Å; C628-C647 HydrophobicContact CB-CB 3.78Å; C628-C647 WeakPolarHBondContact CB-SG 3.32Å; C628-C647 WeakPolarHBondContact SG-CA 3.24Å; C628-C647 WeakPolarHBondContact SG-CB 3.23Å; C628-C647 CovalentContact SG-SG 2.04Å; C628-C647 PolarHBondContact SG-SG 3.38Å
629	P	84.4	Confident	73.4	Confident	37 Å²	37	58.2 Å²	58.2	24%	0.24	34%	0.343	C	S	.	.			trans	-57.4	156.5	172.7	-24	34.9	0	0	0	112.5	Q619 G631 Y632	Q619-P629 HydrophobicContact CB-CG 4.15Å; Q619-P629 HydrophobicContact CG-CG 4.38Å; P629-G631 PolarHBondContact O-N 2.85Å; P629-Y632 HydrophobicContact CB-CD2 4.42Å; P629-Y632 WeakPolarHBondContact O-CA 3.34Å; P629-Y632 WeakPolarHBondContact O-CB 3.36Å; P629-Y632 PolarHBondContact O-N 2.9Å
630	V	81.8	Confident	72	Confident	154 Å²	154	58.5 Å²	58.5	93%	0.933	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	131.5	177.4	179.3	0	0	0	0	110.4	Y632	V630-Y632 VanDerWaalsContact C-N 3.33Å
631	G	81.5	Confident	70.3	Confident	25 Å²	25	61.9 Å²	61.9	26%	0.258	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	-12.2	-174	0	0	0	0	0	114.2	P629 T650 S653	P629-G631 PolarHBondContact O-N 2.85Å; G631-T650 WeakPolarHBondContact O-CB 3.43Å; G631-T650 VanDerWaalsContact O-CG2 3.27Å; G631-T650 WeakPolarHBondContact O-CG2 3.36Å; G631-T650 PolarHBondContact O-N 2.85Å; G631-T650 PolarHBondContact O-OG1 2.8Å; G631-S653 VanDerWaalsContact O-CB 3.24Å; G631-S653 WeakPolarHBondContact O-CB 3.01Å; G631-S653 PolarHBondContact O-OG 3.19Å; G631-S653 VanDerWaalsContact O-OG 3.08Å
632	Y	86.5	Confident	68.9	Low	66 Å²	66	60.3 Å²	60.3	26%	0.259	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	149	174.3	-69.4	-103.1	0	0	0	111.4	H614 C628 P629 V630 C647 C648 P649	H614-Y632 HydrophobicContact CB-CD1 4.11Å; H614-Y632 HydrophobicContact CB-CE1 3.92Å; H614-Y632 AromaticContact CD2-CD2 3.84Å; H614-Y632 AromaticContact CD2-CE1 3.92Å; H614-Y632 AromaticContact CD2-CE2 3.54Å; H614-Y632 AromaticContact CD2-CZ 3.58Å; C628-Y632 WeakPolarHBondContact CB-O 3.32Å; P629-Y632 HydrophobicContact CB-CD2 4.42Å; P629-Y632 WeakPolarHBondContact O-CA 3.34Å; P629-Y632 WeakPolarHBondContact O-CB 3.36Å; P629-Y632 PolarHBondContact O-N 2.9Å; V630-Y632 VanDerWaalsContact C-N 3.33Å; Y632-C647 HydrophobicContact CD1-CB 4.36Å; Y632-C647 WeakPolarHBondContact CD1-O 3.35Å; Y632-C648 CarbonylContact C-O 3.6Å; Y632-C648 WeakPolarHBondContact CA-O 3.23Å; Y632-C648 VanDerWaalsContact CD1-C 3.4Å; Y632-P649 HydrophobicContact CD1-CB 4.37Å; Y632-P649 HydrophobicContact CE1-CB 4.09Å; Y632-P649 HydrophobicContact CE1-CG 4.46Å
633	E	82.7	Confident	68.1	Low	58 Å²	58	64 Å²	64	27%	0.271	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.1	175.1	65.1	-172.7	108.5	0	0	110.9	Y609 V635 C648 T650	Y609-E633 WeakPolarHBondContact CE2-OE1 3.21Å; E633-V635 HydrophobicContact CG-CG2 4Å; E633-V635 PolarHBondContact O-N 3.49Å; E633-C648 PolarHBondContact N-O 3.01Å; E633-C648 PolarHBondContact O-N 3.09Å; E633-T650 HydrophobicContact CB-CG2 3.91Å; E633-T650 HydrophobicContact CG-CG2 3.96Å; E633-T650 WeakPolarHBondContact OE1-CA 3.22Å; E633-T650 WeakPolarHBondContact OE1-CG2 3.45Å
634	C	83.6	Confident	67.8	Low	39 Å²	39	61.4 Å²	61.4	26%	0.264	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	106.7	-175.5	-173.6	0	0	0	0	111.3	C622 G626	C622-C634 HydrophobicContact CB-CB 3.78Å; C622-C634 WeakPolarHBondContact CB-SG 3.13Å; C622-C634 WeakPolarHBondContact SG-CA 3.25Å; C622-C634 WeakPolarHBondContact SG-CB 3.09Å; C622-C634 CovalentContact SG-SG 2.03Å; C622-C634 PolarHBondContact SG-SG 2.91Å; G626-C634 VanDerWaalsContact O-CB 3.31Å; G626-C634 WeakPolarHBondContact O-CB 3.47Å
635	V	73	Confident	68.2	Low	26 Å²	26	58.1 Å²	58.1	16%	0.158	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.7	-179.1	-172.5	0	0	0	0	111.2	P608 E633 R645 Y646 C648	P608-V635 HydrophobicContact CG-CB 4.41Å; P608-V635 HydrophobicContact CG-CG1 3.87Å; P608-V635 HydrophobicContact CG-CG2 3.88Å; E633-V635 HydrophobicContact CG-CG2 4Å; E633-V635 PolarHBondContact O-N 3.49Å; V635-R645 WeakPolarHBondContact O-CA 3.33Å; V635-Y646 PolarHBondContact N-O 2.92Å; V635-Y646 PolarHBondContact O-N 3.39Å; V635-C648 HydrophobicContact CB-CB 4.41Å; V635-C648 HydrophobicContact CG2-CB 3.97Å
636	T	68.5	Low	68.8	Low	49 Å²	49	55.7 Å²	55.7	30%	0.301	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	119.5	170.8	-58.2	0	0	0	0	110.3	P643	T636-P643 HydrophobicContact CG2-CB 3.56Å
637	V	61.8	Low	69.7	Low	14 Å²	14	54.4 Å²	54.4	9%	0.085	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134	-178.7	-174.1	0	0	0	0	108.9	G606 I639 V644 Y646	G606-V637 WeakPolarHBondContact O-CG2 3.29Å; V637-I639 HydrophobicContact CG1-CG1 4.18Å; V637-I639 PolarHBondContact O-N 3.31Å; V637-V644 PolarHBondContact N-O 2.68Å; V637-V644 PolarHBondContact O-N 2.71Å; V637-Y646 HydrophobicContact CB-CD2 3.97Å; V637-Y646 HydrophobicContact CB-CE2 4.34Å; V637-Y646 HydrophobicContact CG2-CD2 3.81Å
638	A	53.4	Low	69.9	Low	50 Å²	50	48.3 Å²	48.3	41%	0.413	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	108.6	176.5	0	0	0	0	0	110.3	V787	A638-V787 HydrophobicContact CB-CB 3.66Å; A638-V787 HydrophobicContact CB-CG1 4.09Å; A638-V787 HydrophobicContact CB-CG2 3.72Å
639	I	50.3	Low	70	Confident	22 Å²	22	47.3 Å²	47.3	11%	0.113	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122	171.9	-59.5	-170.7	0	0	0	108.4	K575 V637 N641 A642 V644 Y646	K575-I639 HydrophobicContact CB-CD1 4.31Å; K575-I639 HydrophobicContact CD-CG2 3.76Å; K575-I639 HydrophobicContact CG-CD1 4.42Å; K575-I639 HydrophobicContact CG-CG2 4.35Å; V637-I639 HydrophobicContact CG1-CG1 4.18Å; V637-I639 PolarHBondContact O-N 3.31Å; I639-N641 VanDerWaalsContact C-N 3.3Å; I639-N641 PolarHBondContact O-N 3.19Å; I639-A642 PolarHBondContact N-O 3.36Å; I639-A642 PolarHBondContact O-N 3.39Å; I639-V644 HydrophobicContact CB-CG2 4.48Å; I639-Y646 HydrophobicContact CD1-CE2 3.6Å; I639-Y646 WeakPolarHBondContact CD1-OH 3.15Å; I639-Y646 HydrophobicContact CG1-CE2 4.49Å
640	S	43.3	Very low	70.1	Confident	92 Å²	92	47 Å²	47	64%	0.643	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	46.5	178.5	48.1	0	0	0	0	113.4	K575 A642	K575-S640 PolarHBondContact NZ-OG 3Å; S640-A642 PolarHBondContact O-N 2.98Å; S640-A642 VanDerWaalsContact O-N 3.12Å
641	N	44.3	Very low	70.3	Confident	132 Å²	132	39.9 Å²	39.9	71%	0.706	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	4.5	-174.8	-64.8	-21.1	0	0	0	116.8	I639	I639-N641 VanDerWaalsContact C-N 3.3Å; I639-N641 PolarHBondContact O-N 3.19Å
642	A	46	Very low	70.5	Confident	46 Å²	46	39.9 Å²	39.9	38%	0.38	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.6	171.3	0	0	0	0	0	110.9	I639 S640 V644	I639-A642 PolarHBondContact N-O 3.36Å; I639-A642 PolarHBondContact O-N 3.39Å; S640-A642 PolarHBondContact O-N 2.98Å; S640-A642 VanDerWaalsContact O-N 3.12Å; A642-V644 PolarHBondContact O-N 2.67Å
643	P	59.9	Low	70.5	Confident	84 Å²	84	37.7 Å²	37.7	55%	0.545	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	107.4	171.1	29.6	-31.3	0	0	0	109.9	T636	T636-P643 HydrophobicContact CG2-CB 3.56Å
644	V	64.4	Low	70.8	Confident	37 Å²	37	35 Å²	35	22%	0.224	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	144.1	172.8	-174.3	0	0	0	0	108.4	V637 I639 A642 Y646	V637-V644 PolarHBondContact N-O 2.68Å; V637-V644 PolarHBondContact O-N 2.71Å; I639-V644 HydrophobicContact CB-CG2 4.48Å; A642-V644 PolarHBondContact O-N 2.67Å; V644-Y646 HydrophobicContact CB-CE2 4.01Å; V644-Y646 HydrophobicContact CG1-CD2 4.42Å; V644-Y646 HydrophobicContact CG1-CE1 3.96Å; V644-Y646 HydrophobicContact CG1-CE2 3.75Å
645	R	72	Confident	71.1	Confident	36 Å²	36	33.1 Å²	33.1	14%	0.136	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	137.3	174.6	-59.2	-168.3	-170.9	172.1	10.1	111.6	V621 C622 D623 V635 M826	V621-R645 WeakPolarHBondContact CA-O 3.24Å; V621-R645 WeakPolarHBondContact CG1-O 3.37Å; C622-R645 VanDerWaalsContact SG-CB 3.53Å; D623-R645 PolarHBondContact O-NH1 2.78Å; V635-R645 WeakPolarHBondContact O-CA 3.33Å; R645-M826 PolarHBondContact NH1-O 3.38Å; R645-M826 PolarHBondContact NH2-O 2.03Å
646	Y	78.9	Confident	71.8	Confident	19 Å²	19	35.1 Å²	35.1	8%	0.075	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139.2	174.1	-67.2	-61.6	0	0	0	111.1	P613 R620 V621 V635 V637 I639 V644 C648	P613-Y646 HydrophobicContact CB-CD1 4.15Å; P613-Y646 HydrophobicContact CB-CG 4.16Å; P613-Y646 HydrophobicContact CG-CD1 4.4Å; P613-Y646 HydrophobicContact CG-CD2 4.46Å; P613-Y646 HydrophobicContact CG-CG 4.09Å; R620-Y646 HydrophobicContact CG-CD1 3.87Å; R620-Y646 HydrophobicContact CG-CE1 4.17Å; R620-Y646 CarbonylContact O-C 3.55Å; R620-Y646 VanDerWaalsContact O-CA 3.22Å; R620-Y646 WeakPolarHBondContact O-CA 3.26Å; R620-Y646 WeakPolarHBondContact O-CD1 3.23Å; V621-Y646 HydrophobicContact CG2-CD1 4.05Å; V621-Y646 HydrophobicContact CG2-CE1 3.82Å; V635-Y646 PolarHBondContact N-O 2.92Å; V635-Y646 PolarHBondContact O-N 3.39Å; V637-Y646 HydrophobicContact CB-CD2 3.97Å; V637-Y646 HydrophobicContact CB-CE2 4.34Å; V637-Y646 HydrophobicContact CG2-CD2 3.81Å; I639-Y646 HydrophobicContact CD1-CE2 3.6Å; I639-Y646 WeakPolarHBondContact CD1-OH 3.15Å; I639-Y646 HydrophobicContact CG1-CE2 4.49Å; V644-Y646 HydrophobicContact CB-CE2 4.01Å; V644-Y646 HydrophobicContact CG1-CD2 4.42Å; V644-Y646 HydrophobicContact CG1-CE1 3.96Å; V644-Y646 HydrophobicContact CG1-CE2 3.75Å; Y646-C648 PolarHBondContact O-N 3.29Å
647	C	86.2	Confident	72.7	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.014	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	107.9	160.4	-70.1	0	0	0	0	107.9	P613 H614 Q619 R620 C628 Y632	P613-C647 WeakPolarHBondContact CA-O 3.36Å; H614-C647 HydrophobicContact CB-CB 4.18Å; H614-C647 PolarHBondContact N-O 2.79Å; Q619-C647 VanDerWaalsContact O-CB 3.3Å; Q619-C647 WeakPolarHBondContact O-CB 3.17Å; Q619-C647 PolarHBondContact O-SG 2.8Å; R620-C647 PolarHBondContact O-N 3.38Å; C628-C647 WeakPolarHBondContact CA-SG 3.49Å; C628-C647 HydrophobicContact CB-CB 3.78Å; C628-C647 WeakPolarHBondContact CB-SG 3.32Å; C628-C647 WeakPolarHBondContact SG-CA 3.24Å; C628-C647 WeakPolarHBondContact SG-CB 3.23Å; C628-C647 CovalentContact SG-SG 2.04Å; C628-C647 PolarHBondContact SG-SG 3.38Å; Y632-C647 HydrophobicContact CD1-CB 4.36Å; Y632-C647 WeakPolarHBondContact CD1-O 3.35Å
648	C	82.3	Confident	73.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.9	-176	-81.7	0	0	0	0	110.5	C607 Y632 E633 V635 Y646 T650	C607-C648 WeakPolarHBondContact CA-SG 3.05Å; C607-C648 HydrophobicContact CB-CB 3.51Å; C607-C648 WeakPolarHBondContact CB-SG 3.44Å; C607-C648 WeakPolarHBondContact SG-CA 3.26Å; C607-C648 WeakPolarHBondContact SG-CB 3.03Å; C607-C648 CovalentContact SG-SG 2.04Å; C607-C648 PolarHBondContact SG-SG 2.63Å; Y632-C648 CarbonylContact C-O 3.6Å; Y632-C648 WeakPolarHBondContact CA-O 3.23Å; Y632-C648 VanDerWaalsContact CD1-C 3.4Å; E633-C648 PolarHBondContact N-O 3.01Å; E633-C648 PolarHBondContact O-N 3.09Å; V635-C648 HydrophobicContact CB-CB 4.41Å; V635-C648 HydrophobicContact CG2-CB 3.97Å; Y646-C648 PolarHBondContact O-N 3.29Å; C648-T650 PolarHBondContact O-N 2.8Å
649	P	84.9	Confident	75.6	Confident	5 Å²	5	39.5 Å²	39.5	3%	0.032	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	129.8	-179.2	26.5	-32.7	0	0	0	110.1	K612 Y632 S653 I654	K612-P649 WeakPolarHBondContact O-CD 3.12Å; Y632-P649 HydrophobicContact CD1-CB 4.37Å; Y632-P649 HydrophobicContact CE1-CB 4.09Å; Y632-P649 HydrophobicContact CE1-CG 4.46Å; P649-S653 WeakPolarHBondContact CB-OG 3.43Å; P649-I654 HydrophobicContact CB-CD1 4.37Å; P649-I654 HydrophobicContact CB-CG1 4.08Å; P649-I654 HydrophobicContact CG-CD1 4.21Å; P649-I654 HydrophobicContact CG-CG1 4.3Å
650	T	86.1	Confident	77.2	Confident	30 Å²	30	41.7 Å²	41.7	18%	0.184	26%	0.256	C	S	.	.			trans	-64.6	153.6	174.7	57.8	0	0	0	0	110.6	G631 E633 C648 A652 S653 I654	G631-T650 WeakPolarHBondContact O-CB 3.43Å; G631-T650 VanDerWaalsContact O-CG2 3.27Å; G631-T650 WeakPolarHBondContact O-CG2 3.36Å; G631-T650 PolarHBondContact O-N 2.85Å; G631-T650 PolarHBondContact O-OG1 2.8Å; E633-T650 HydrophobicContact CB-CG2 3.91Å; E633-T650 HydrophobicContact CG-CG2 3.96Å; E633-T650 WeakPolarHBondContact OE1-CA 3.22Å; E633-T650 WeakPolarHBondContact OE1-CG2 3.45Å; C648-T650 PolarHBondContact O-N 2.8Å; T650-A652 PolarHBondContact O-N 3.14Å; T650-S653 PolarHBondContact N-OG 3Å; T650-S653 VanDerWaalsContact N-OG 3.12Å; T650-S653 PolarHBondContact O-N 2.6Å; T650-S653 PolarHBondContact O-OG 3.47Å; T650-S653 WeakPolarHBondContact OG1-CB 3.04Å; T650-S653 PolarHBondContact OG1-N 2.88Å; T650-S653 VanDerWaalsContact OG1-N 3.1Å; T650-S653 PolarHBondContact OG1-OG 3.01Å; T650-I654 PolarHBondContact O-N 3.07Å; T650-I654 VanDerWaalsContact O-N 3.07Å
651	R	85.8	Confident	79.3	Confident	6 Å²	6	43.8 Å²	43.8	2%	0.023	25%	0.25	C	C	.	.	H	α-helix	trans	-47	-45.5	169.7	-74	176.1	169.8	143.1	-11.2	111.9	Y609 S653 I654 C655 F705 S708 C711 D712 E715	Y609-R651 HydrophobicContact CD1-CG 3.58Å; Y609-R651 HydrophobicContact CD2-CG 4.31Å; Y609-R651 HydrophobicContact CE1-CG 3.92Å; Y609-R651 HydrophobicContact CG-CG 3.79Å; R651-S653 PolarHBondContact O-N 3.1Å; R651-I654 PolarHBondContact O-N 3.34Å; R651-C655 WeakPolarHBondContact O-CB 3.49Å; R651-C655 PolarHBondContact O-N 2.92Å; R651-C655 PolarHBondContact O-SG 3.04Å; R651-F705 HydrophobicContact CB-CE1 4.35Å; R651-F705 HydrophobicContact CG-CE1 4.24Å; R651-F705 HydrophobicContact CG-CE2 4.33Å; R651-F705 HydrophobicContact CG-CZ 4.03Å; R651-S708 WeakPolarHBondContact CD-O 3.42Å; R651-S708 PolarHBondContact NH1-O 3.01Å; R651-C711 PolarHBondContact NH1-O 3.01Å; R651-D712 PolarHBondContact NH1-O 2.84Å; R651-E715 PolarHBondContact NH2-O 2.8Å
652	A	86.1	Confident	80.9	Confident	24 Å²	24	38.4 Å²	38.4	20%	0.198	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-43.4	178.4	0	0	0	0	0	112.6	T650 S656	T650-A652 PolarHBondContact O-N 3.14Å; A652-S656 WeakPolarHBondContact O-CB 3.43Å; A652-S656 PolarHBondContact O-N 2.66Å
653	S	87.7	Confident	82	Confident	21 Å²	21	40 Å²	40	15%	0.147	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-43.7	177	73.7	0	0	0	0	112.3	G631 P649 T650 R651 S656 Q657	G631-S653 VanDerWaalsContact O-CB 3.24Å; G631-S653 WeakPolarHBondContact O-CB 3.01Å; G631-S653 PolarHBondContact O-OG 3.19Å; G631-S653 VanDerWaalsContact O-OG 3.08Å; P649-S653 WeakPolarHBondContact CB-OG 3.43Å; T650-S653 PolarHBondContact N-OG 3Å; T650-S653 VanDerWaalsContact N-OG 3.12Å; T650-S653 PolarHBondContact O-N 2.6Å; T650-S653 PolarHBondContact O-OG 3.47Å; T650-S653 WeakPolarHBondContact OG1-CB 3.04Å; T650-S653 PolarHBondContact OG1-N 2.88Å; T650-S653 VanDerWaalsContact OG1-N 3.1Å; T650-S653 PolarHBondContact OG1-OG 3.01Å; R651-S653 PolarHBondContact O-N 3.1Å; S653-S656 PolarHBondContact O-N 2.9Å; S653-S656 PolarHBondContact O-OG 2.78Å; S653-Q657 WeakPolarHBondContact O-CG 2.88Å
654	I	87.6	Confident	82.6	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-59.7	-53	177.6	-70.3	167.7	0	0	0	110.1	Y609 P649 T650 R651 S656 Q657 D693 N694 F705	Y609-I654 WeakPolarHBondContact O-CD1 3.38Å; P649-I654 HydrophobicContact CB-CD1 4.37Å; P649-I654 HydrophobicContact CB-CG1 4.08Å; P649-I654 HydrophobicContact CG-CD1 4.21Å; P649-I654 HydrophobicContact CG-CG1 4.3Å; T650-I654 PolarHBondContact O-N 3.07Å; T650-I654 VanDerWaalsContact O-N 3.07Å; R651-I654 PolarHBondContact O-N 3.34Å; I654-S656 PolarHBondContact O-N 3.45Å; I654-Q657 WeakPolarHBondContact O-CB 3.34Å; I654-Q657 VanDerWaalsContact O-CG 3.32Å; I654-Q657 WeakPolarHBondContact O-CG 3.17Å; I654-Q657 PolarHBondContact O-N 3.06Å; I654-Q657 VanDerWaalsContact O-N 3.1Å; I654-D693 HydrophobicContact CD1-CB 4.44Å; I654-D693 HydrophobicContact CG1-CB 4.21Å; I654-D693 HydrophobicContact CG2-CB 3.66Å; I654-N694 WeakPolarHBondContact O-CB 3.29Å; I654-F705 HydrophobicContact CB-CE1 4.18Å; I654-F705 HydrophobicContact CD1-CE1 4.41Å; I654-F705 HydrophobicContact CD1-CZ 3.91Å; I654-F705 HydrophobicContact CG2-CE1 3.84Å; I654-F705 HydrophobicContact CG2-CZ 4.29Å
655	C	90.4	Very high	82.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-71.9	-11.3	-176.4	-59.6	0	0	0	0	114.3	R651 F674 N694 F705 C706 L748	R651-C655 WeakPolarHBondContact O-CB 3.49Å; R651-C655 PolarHBondContact O-N 2.92Å; R651-C655 PolarHBondContact O-SG 3.04Å; C655-F674 HydrophobicContact CB-CB 4.1Å; C655-F674 HydrophobicContact CB-CD1 4.02Å; C655-F674 HydrophobicContact CB-CG 4.27Å; C655-N694 PolarHBondContact O-ND2 2.89Å; C655-F705 VanDerWaalsContact SG-CD1 3.55Å; C655-C706 HydrophobicContact CB-CB 3.62Å; C655-C706 WeakPolarHBondContact CB-SG 3.01Å; C655-C706 WeakPolarHBondContact SG-CA 3.43Å; C655-C706 WeakPolarHBondContact SG-CB 3.07Å; C655-C706 CovalentContact SG-SG 2.02Å; C655-C706 PolarHBondContact SG-SG 2.94Å; C655-L748 HydrophobicContact CB-CD2 3.65Å
656	S	88.7	Confident	82.4	Confident	68 Å²	68	44.8 Å²	44.8	48%	0.476	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-14.6	171.5	75.9	0	0	0	0	113.8	A652 S653 I654	A652-S656 WeakPolarHBondContact O-CB 3.43Å; A652-S656 PolarHBondContact O-N 2.66Å; S653-S656 PolarHBondContact O-N 2.9Å; S653-S656 PolarHBondContact O-OG 2.78Å; I654-S656 PolarHBondContact O-N 3.45Å
657	Q	87.2	Confident	82	Confident	55 Å²	55	47.8 Å²	47.8	26%	0.257	29%	0.293	S	S	.	.	S	Bend	trans	-72.7	146.5	-175.8	-57.6	176.9	18.9	0	0	111.9	S653 I654 N692 N694	S653-Q657 WeakPolarHBondContact O-CG 2.88Å; I654-Q657 WeakPolarHBondContact O-CB 3.34Å; I654-Q657 VanDerWaalsContact O-CG 3.32Å; I654-Q657 WeakPolarHBondContact O-CG 3.17Å; I654-Q657 PolarHBondContact O-N 3.06Å; I654-Q657 VanDerWaalsContact O-N 3.1Å; Q657-N692 WeakPolarHBondContact CB-ND2 3.29Å; Q657-N692 VanDerWaalsContact OE1-CB 3.29Å; Q657-N692 PolarHBondContact OE1-ND2 2.84Å; Q657-N694 HydrophobicContact CB-CB 4.29Å; Q657-N694 PolarHBondContact O-ND2 2.8Å
658	P	86	Confident	81.6	Confident	98 Å²	98	51.3 Å²	51.3	64%	0.636	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-67.7	158.4	174	30	-35.9	0	0	0	111.7	N660 N692	P658-N660 PolarHBondContact O-N 2.62Å; P658-N692 PolarHBondContact O-ND2 3.27Å
659	P	89.5	Confident	81.7	Confident	52 Å²	52	55.5 Å²	55.5	34%	0.338	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-67.4	117.1	177.3	26.2	-32.4	0	0	0	111.4	Y673 F684	P659-Y673 HydrophobicContact CB-CD1 3.73Å; P659-Y673 HydrophobicContact CB-CD2 3.93Å; P659-Y673 HydrophobicContact CB-CE1 4.03Å; P659-Y673 HydrophobicContact CB-CE2 4.23Å; P659-Y673 HydrophobicContact CB-CG 3.69Å; P659-Y673 HydrophobicContact CG-CD1 4.15Å; P659-Y673 HydrophobicContact CG-CD2 4.02Å; P659-Y673 HydrophobicContact CG-CE1 3.94Å; P659-Y673 HydrophobicContact CG-CE2 3.82Å; P659-Y673 HydrophobicContact CG-CG 4.2Å; P659-F684 HydrophobicContact CB-CB 4.3Å; P659-F684 HydrophobicContact CB-CD1 4.4Å; P659-F684 HydrophobicContact CB-CD2 3.97Å; P659-F684 HydrophobicContact CB-CE2 4.37Å; P659-F684 HydrophobicContact CB-CG 3.98Å
660	N	85	Confident	81.9	Confident	67 Å²	67	60.3 Å²	60.3	36%	0.358	36%	0.358	S	S	.	.			trans	-100.5	113.1	176.4	-174.8	-7.1	0	0	0	111.2	P658 G662 F684 S690 N692	P658-N660 PolarHBondContact O-N 2.62Å; N660-G662 PolarHBondContact O-N 3.2Å; N660-G662 PolarHBondContact OD1-N 3.17Å; N660-F684 WeakPolarHBondContact O-CE2 3.48Å; N660-S690 PolarHBondContact ND2-O 2.61Å; N660-N692 HydrophobicContact CB-CB 4.12Å; N660-N692 VanDerWaalsContact CB-OD1 3.26Å; N660-N692 WeakPolarHBondContact CB-OD1 3.44Å; N660-N692 PolarHBondContact N-OD1 3.07Å
661	R	86.6	Confident	82.2	Confident	136 Å²	136	60.9 Å²	60.9	51%	0.513	36%	0.357	S	S	.	.			trans	-64.9	-22.9	178.3	-58.7	-162.6	177.5	-177.1	-0.3	113.6	T685 Y686 Y687	R661-T685 VanDerWaalsContact CG-O 3.32Å; R661-T685 WeakPolarHBondContact CG-O 3.41Å; R661-Y686 WeakPolarHBondContact O-CD2 3.28Å; R661-Y687 HydrophobicContact CB-CD2 3.77Å; R661-Y687 HydrophobicContact CB-CE2 3.75Å; R661-Y687 HydrophobicContact CG-CE2 4.41Å; R661-Y687 PolarHBondContact NH1-OH 3.03Å; R661-Y687 VanDerWaalsContact NH1-OH 3.14Å; R661-Y687 PolarHBondContact O-N 2.77Å
662	G	77.1	Confident	82.5	Confident	20 Å²	20	62.5 Å²	62.5	21%	0.206	36%	0.364	C	S	.	.			trans	70.4	-163.9	-179.8	0	0	0	0	0	114.4	N660 C689	N660-G662 PolarHBondContact O-N 3.2Å; N660-G662 PolarHBondContact OD1-N 3.17Å; G662-C689 CarbonylContact C-O 3.53Å; G662-C689 WeakPolarHBondContact CA-O 3.37Å
663	T	70.1	Confident	82.8	Confident	79 Å²	79	62.8 Å²	62.8	49%	0.485	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	143.1	-179.1	-47.9	0	0	0	0	110.5	C665 Y687 C689 S690	T663-C665 PolarHBondContact O-N 2.94Å; T663-Y687 CarbonylContact O-C 3.57Å; T663-C689 PolarHBondContact N-O 2.04Å; T663-C689 PolarHBondContact O-N 3.33Å; T663-C689 VanDerWaalsContact O-N 3.16Å; T663-S690 WeakPolarHBondContact OG1-CB 3.35Å; T663-S690 PolarHBondContact OG1-OG 3.47Å
664	Q	72.7	Confident	83	Confident	141 Å²	141	61.8 Å²	61.8	66%	0.659	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	107.6	178.6	-170.2	172	-29.1	0	0	112.2	Y687	Q664-Y687 WeakPolarHBondContact CA-O 3.06Å
665	C	59.9	Low	83	Confident	76 Å²	76	62.9 Å²	62.9	51%	0.514	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	7.6	175.2	70.4	0	0	0	0	112.8	T663 Y687 C689	T663-C665 PolarHBondContact O-N 2.94Å; C665-Y687 PolarHBondContact N-O 3.36Å; C665-Y687 VanDerWaalsContact N-O 3.12Å; C665-C689 HydrophobicContact CB-CB 3.87Å; C665-C689 WeakPolarHBondContact CB-SG 3.45Å; C665-C689 WeakPolarHBondContact SG-CB 3.2Å; C665-C689 PolarHBondContact SG-N 2.89Å; C665-C689 CovalentContact SG-SG 2.03Å; C665-C689 PolarHBondContact SG-SG 2.93Å
666	G	71.2	Confident	82.6	Confident	40 Å²	40	65.1 Å²	65.1	41%	0.412	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	-170.2	175.7	0	0	0	0	0	111.2
667	A	70.7	Confident	82.2	Confident	83 Å²	83	69.3 Å²	69.3	69%	0.686	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.2	137.3	170.5	0	0	0	0	0	110.1	M669	A667-M669 WeakPolarHBondContact O-CG 3.34Å; A667-M669 PolarHBondContact O-N 3.22Å
668	P	79.2	Confident	82	Confident	75 Å²	75	71.2 Å²	71.2	49%	0.487	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	131.1	175.5	-24.4	33.8	0	0	0	111.8	T685 Y687	P668-T685 HydrophobicContact CB-CG2 3.79Å; P668-Y687 HydrophobicContact CB-CD1 3.97Å; P668-Y687 HydrophobicContact CB-CE1 4.22Å; P668-Y687 HydrophobicContact CG-CD1 4Å; P668-Y687 HydrophobicContact CG-CE1 4.22Å
669	M	83.7	Confident	81.8	Confident	88 Å²	88	71.6 Å²	71.6	43%	0.433	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	140.4	-178.4	-53.2	-174.6	82.5	0	0	110.5	A667 R671 Y686	A667-M669 WeakPolarHBondContact O-CG 3.34Å; A667-M669 PolarHBondContact O-N 3.22Å; M669-R671 PolarHBondContact SD-NH2 3.27Å; M669-Y686 PolarHBondContact N-O 3.25Å; M669-Y686 PolarHBondContact O-N 3.42Å
670	E	89.8	Confident	81.7	Confident	106 Å²	106	73.9 Å²	73.9	50%	0.495	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	135.9	165.5	-163.1	176.4	83.6	0	0	109.4	R683	E670-R683 HydrophobicContact CG-CB 4.17Å; E670-R683 WeakPolarHBondContact OE2-CD 3.37Å; E670-R683 IonicContact OE2-CZ 2.69Å; E670-R683 IonicContact OE2-NE 2.71Å; E670-R683 IonicContact OE2-NH1 4Å; E670-R683 PolarHBondContact OE2-NH1 3.04Å
671	R	90.7	Very high	81.9	Confident	43 Å²	43	71.3 Å²	71.3	16%	0.162	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	167.7	-178.7	-64.7	-64.7	-178.2	83.5	0.8	109.6	M669 R683 F684 Y686 N695 F696	M669-R671 PolarHBondContact SD-NH2 3.27Å; R671-R683 CarbonylContact O-C 3.48Å; R671-R683 WeakPolarHBondContact O-CA 3.39Å; R671-F684 HydrophobicContact CB-CD1 4Å; R671-F684 HydrophobicContact CB-CE1 3.54Å; R671-F684 HydrophobicContact CB-CZ 3.99Å; R671-F684 PolarHBondContact N-O 3.39Å; R671-F684 WeakPolarHBondContact O-CD1 3.45Å; R671-F684 PolarHBondContact O-N 3.03Å; R671-Y686 HydrophobicContact CG-CD1 4.4Å; R671-Y686 HydrophobicContact CG-CG 4.34Å; R671-N695 WeakPolarHBondContact CB-OD1 3.4Å; R671-N695 WeakPolarHBondContact CD-OD1 3.16Å; R671-N695 WeakPolarHBondContact CG-OD1 3.5Å; R671-N695 PolarHBondContact NH1-OD1 2.89Å; R671-F696 WeakPolarHBondContact CA-O 3.13Å
672	F	92.5	Very high	82.1	Confident	39 Å²	39	66.7 Å²	66.7	17%	0.171	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	145.6	177	-66	-97.4	0	0	0	110.7	T682 R683 F696 L699 C702	F672-T682 CarbonylContact C-O 3.53Å; F672-T682 WeakPolarHBondContact CA-O 3.33Å; F672-R683 HydrophobicContact CD1-CB 4.21Å; F672-R683 HydrophobicContact CE1-CB 3.99Å; F672-R683 HydrophobicContact CZ-CB 4.38Å; F672-F696 HydrophobicContact CB-CB 4.47Å; F672-F696 PolarHBondContact N-O 3.46Å; F672-F696 WeakPolarHBondContact O-CD2 3.38Å; F672-F696 PolarHBondContact O-N 3.08Å; F672-L699 HydrophobicContact CD1-CB 3.96Å; F672-L699 HydrophobicContact CD1-CD1 3.97Å; F672-L699 VanDerWaalsContact CD2-N 3.35Å; F672-L699 HydrophobicContact CE1-CB 3.79Å; F672-L699 HydrophobicContact CE1-CD1 4.18Å; F672-L699 HydrophobicContact CE1-CG 4.49Å; F672-L699 HydrophobicContact CG-CB 4.43Å; F672-L699 HydrophobicContact CZ-CB 4.13Å; F672-C702 HydrophobicContact CB-CB 3.94Å
673	Y	93.2	Very high	82.9	Confident	30 Å²	30	73.5 Å²	73.5	12%	0.118	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	148.5	171.4	80.1	-78.4	0	0	0	109	P659 N675 C681 T682 F684 N694	P659-Y673 HydrophobicContact CB-CD1 3.73Å; P659-Y673 HydrophobicContact CB-CD2 3.93Å; P659-Y673 HydrophobicContact CB-CE1 4.03Å; P659-Y673 HydrophobicContact CB-CE2 4.23Å; P659-Y673 HydrophobicContact CB-CG 3.69Å; P659-Y673 HydrophobicContact CG-CD1 4.15Å; P659-Y673 HydrophobicContact CG-CD2 4.02Å; P659-Y673 HydrophobicContact CG-CE1 3.94Å; P659-Y673 HydrophobicContact CG-CE2 3.82Å; P659-Y673 HydrophobicContact CG-CG 4.2Å; Y673-N675 HydrophobicContact CE2-CB 3.73Å; Y673-N675 PolarHBondContact OH-ND2 2.59Å; Y673-N675 VanDerWaalsContact OH-ND2 3.08Å; Y673-C681 CarbonylContact O-C 3.54Å; Y673-C681 VanDerWaalsContact O-CA 3.31Å; Y673-C681 WeakPolarHBondContact O-CA 3.35Å; Y673-T682 WeakPolarHBondContact CD1-O 3.41Å; Y673-T682 HydrophobicContact CE1-CG2 4.1Å; Y673-T682 PolarHBondContact N-O 3.43Å; Y673-T682 PolarHBondContact O-N 2.86Å; Y673-F684 HydrophobicContact CD1-CB 4.09Å; Y673-F684 AromaticContact CD1-CD1 3.8Å; Y673-F684 HydrophobicContact CD1-CD1 3.8Å; Y673-F684 HydrophobicContact CD1-CG 4.19Å; Y673-F684 HydrophobicContact CE1-CB 4.37Å; Y673-F684 HydrophobicContact CG-CD1 4.33Å; Y673-N694 WeakPolarHBondContact CA-OD1 3.39Å; Y673-N694 WeakPolarHBondContact CB-O 3.5Å
674	F	90.8	Very high	84	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	125.8	172.6	-174.3	-94	0	0	0	109.8	C655 P676 N694 C702 C706 L748 T749	C655-F674 HydrophobicContact CB-CB 4.1Å; C655-F674 HydrophobicContact CB-CD1 4.02Å; C655-F674 HydrophobicContact CB-CG 4.27Å; F674-P676 HydrophobicContact CE1-CB 4.3Å; F674-P676 WeakPolarHBondContact O-CD 3.31Å; F674-N694 PolarHBondContact N-OD1 3.24Å; F674-N694 PolarHBondContact O-ND2 3.31Å; F674-C702 PolarHBondContact N-SG 3.19Å; F674-C702 VanDerWaalsContact N-SG 3.39Å; F674-C706 HydrophobicContact CB-CB 3.6Å; F674-C706 WeakPolarHBondContact CB-SG 3.43Å; F674-C706 HydrophobicContact CD1-CB 4.26Å; F674-C706 HydrophobicContact CD2-CB 3.51Å; F674-C706 HydrophobicContact CE2-CB 4.21Å; F674-C706 HydrophobicContact CG-CB 3.53Å; F674-L748 HydrophobicContact CD1-CD2 3.99Å; F674-L748 HydrophobicContact CE1-CD1 4.27Å; F674-L748 HydrophobicContact CE1-CD2 3.58Å; F674-L748 HydrophobicContact CE1-CG 3.75Å; F674-L748 HydrophobicContact CZ-CD2 4.14Å; F674-L748 HydrophobicContact CZ-CG 4.35Å; F674-T749 HydrophobicContact CZ-CG2 4.05Å
675	N	88	Confident	84.9	Confident	25 Å²	25	66.9 Å²	66.9	13%	0.134	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	109	175.2	-175.8	-46.9	0	0	0	108.7	Y673 L677 L678 K679 Q680	Y673-N675 HydrophobicContact CE2-CB 3.73Å; Y673-N675 PolarHBondContact OH-ND2 2.59Å; Y673-N675 VanDerWaalsContact OH-ND2 3.08Å; N675-L677 VanDerWaalsContact C-N 3.26Å; N675-L677 PolarHBondContact O-N 3.06Å; N675-L677 WeakPolarHBondContact OD1-CB 3.39Å; N675-L677 PolarHBondContact OD1-N 3.12Å; N675-L678 HydrophobicContact CB-CB 4.18Å; N675-L678 HydrophobicContact CB-CD1 4.32Å; N675-L678 HydrophobicContact CB-CG 4.4Å; N675-L678 PolarHBondContact O-N 2.88Å; N675-L678 PolarHBondContact OD1-N 2.85Å; N675-K679 WeakPolarHBondContact O-CA 3.3Å; N675-K679 PolarHBondContact O-N 3.14Å; N675-Q680 PolarHBondContact N-O 2.91Å; N675-Q680 PolarHBondContact O-N 2.9Å
676	P	82.7	Confident	86	Confident	46 Å²	46	64.5 Å²	64.5	30%	0.299	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-22	-175.8	27.4	-35.8	0	0	0	113.9	F674 L748	F674-P676 HydrophobicContact CE1-CB 4.3Å; F674-P676 WeakPolarHBondContact O-CD 3.31Å; P676-L748 HydrophobicContact CB-CD1 4.26Å
677	L	79.3	Confident	86.4	Confident	156 Å²	156	65.7 Å²	65.7	82%	0.817	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-42.5	175.1	-59.7	173.6	0	0	0	111.2	N675	N675-L677 VanDerWaalsContact C-N 3.26Å; N675-L677 PolarHBondContact O-N 3.06Å; N675-L677 WeakPolarHBondContact OD1-CB 3.39Å; N675-L677 PolarHBondContact OD1-N 3.12Å
678	L	83.7	Confident	86.1	Confident	96 Å²	96	63 Å²	63	50%	0.503	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-12.1	177.6	-58.4	176.9	0	0	0	113	N675 Q680	N675-L678 HydrophobicContact CB-CB 4.18Å; N675-L678 HydrophobicContact CB-CD1 4.32Å; N675-L678 HydrophobicContact CB-CG 4.4Å; N675-L678 PolarHBondContact O-N 2.88Å; N675-L678 PolarHBondContact OD1-N 2.85Å; L678-Q680 HydrophobicContact CB-CG 3.76Å; L678-Q680 PolarHBondContact O-N 3.38Å
679	K	82.1	Confident	85.7	Confident	106 Å²	106	61.3 Å²	61.3	46%	0.461	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	31.3	-175.9	-57.8	177.1	176	-172.3	0	113.5	N675 T749	N675-K679 WeakPolarHBondContact O-CA 3.3Å; N675-K679 PolarHBondContact O-N 3.14Å; K679-T749 VanDerWaalsContact CD-O 3.29Å; K679-T749 WeakPolarHBondContact CD-O 3.27Å; K679-T749 WeakPolarHBondContact CE-O 3.37Å; K679-T749 PolarHBondContact NZ-O 3.06Å
680	Q	85.8	Confident	85.2	Confident	99 Å²	99	60.2 Å²	60.2	46%	0.463	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	157	-175.6	75.4	-170.1	6.1	0	0	111.1	N675 L678	N675-Q680 PolarHBondContact N-O 2.91Å; N675-Q680 PolarHBondContact O-N 2.9Å; L678-Q680 HydrophobicContact CB-CG 3.76Å; L678-Q680 PolarHBondContact O-N 3.38Å
681	C	90	Very high	84.3	Confident	13 Å²	13	56.5 Å²	56.5	9%	0.088	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	132.3	174.3	-74.8	0	0	0	0	112.3	Y673 L699 C702 M703	Y673-C681 CarbonylContact O-C 3.54Å; Y673-C681 VanDerWaalsContact O-CA 3.31Å; Y673-C681 WeakPolarHBondContact O-CA 3.35Å; C681-L699 HydrophobicContact CB-CD1 3.59Å; C681-C702 HydrophobicContact CB-CB 3.65Å; C681-C702 WeakPolarHBondContact CB-SG 3.33Å; C681-C702 WeakPolarHBondContact SG-CB 3.24Å; C681-C702 CovalentContact SG-SG 2.02Å; C681-C702 PolarHBondContact SG-SG 3.34Å; C681-M703 HydrophobicContact CB-CG 3.94Å; C681-M703 HydrophobicContact CB-SD 3.63Å; C681-M703 PolarHBondContact N-SD 3.47Å; C681-M703 VanDerWaalsContact N-SD 3.36Å; C681-M703 PolarHBondContact SG-N 2.04Å; C681-M703 VanDerWaalsContact SG-N 3.38Å
682	T	90.5	Very high	83.8	Confident	40 Å²	40	55.8 Å²	55.8	25%	0.245	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.8	-176.6	-53.7	0	0	0	0	109.4	F672 Y673	F672-T682 CarbonylContact C-O 3.53Å; F672-T682 WeakPolarHBondContact CA-O 3.33Å; Y673-T682 WeakPolarHBondContact CD1-O 3.41Å; Y673-T682 HydrophobicContact CE1-CG2 4.1Å; Y673-T682 PolarHBondContact N-O 3.43Å; Y673-T682 PolarHBondContact O-N 2.86Å
683	R	94.5	Very high	83.5	Confident	163 Å²	163	57.3 Å²	57.3	62%	0.615	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	151.6	177.2	58.9	166.8	174.8	176.2	-2.2	113.3	E670 R671 F672	E670-R683 HydrophobicContact CG-CB 4.17Å; E670-R683 WeakPolarHBondContact OE2-CD 3.37Å; E670-R683 IonicContact OE2-CZ 2.69Å; E670-R683 IonicContact OE2-NE 2.71Å; E670-R683 IonicContact OE2-NH1 4Å; E670-R683 PolarHBondContact OE2-NH1 3.04Å; R671-R683 CarbonylContact O-C 3.48Å; R671-R683 WeakPolarHBondContact O-CA 3.39Å; F672-R683 HydrophobicContact CD1-CB 4.21Å; F672-R683 HydrophobicContact CE1-CB 3.99Å; F672-R683 HydrophobicContact CZ-CB 4.38Å
684	F	93.8	Very high	83.3	Confident	23 Å²	23	55.9 Å²	55.9	10%	0.101	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	168.6	170.5	80.5	-72.3	0	0	0	111.2	P659 N660 R671 Y673 N695	P659-F684 HydrophobicContact CB-CB 4.3Å; P659-F684 HydrophobicContact CB-CD1 4.4Å; P659-F684 HydrophobicContact CB-CD2 3.97Å; P659-F684 HydrophobicContact CB-CE2 4.37Å; P659-F684 HydrophobicContact CB-CG 3.98Å; N660-F684 WeakPolarHBondContact O-CE2 3.48Å; R671-F684 HydrophobicContact CB-CD1 4Å; R671-F684 HydrophobicContact CB-CE1 3.54Å; R671-F684 HydrophobicContact CB-CZ 3.99Å; R671-F684 PolarHBondContact N-O 3.39Å; R671-F684 WeakPolarHBondContact O-CD1 3.45Å; R671-F684 PolarHBondContact O-N 3.03Å; Y673-F684 HydrophobicContact CD1-CB 4.09Å; Y673-F684 AromaticContact CD1-CD1 3.8Å; Y673-F684 HydrophobicContact CD1-CD1 3.8Å; Y673-F684 HydrophobicContact CD1-CG 4.19Å; Y673-F684 HydrophobicContact CE1-CB 4.37Å; Y673-F684 HydrophobicContact CG-CD1 4.33Å; F684-N695 HydrophobicContact CE1-CB 4.43Å; F684-N695 HydrophobicContact CZ-CB 3.99Å
685	T	90.4	Very high	83.1	Confident	57 Å²	57	57.2 Å²	57.2	35%	0.35	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	127.7	177	-48	0	0	0	0	110.8	R661 P668 Y687	R661-T685 VanDerWaalsContact CG-O 3.32Å; R661-T685 WeakPolarHBondContact CG-O 3.41Å; P668-T685 HydrophobicContact CB-CG2 3.79Å; T685-Y687 HydrophobicContact CG2-CD1 4.33Å; T685-Y687 HydrophobicContact CG2-CE1 3.97Å
686	Y	84.5	Confident	83.1	Confident	26 Å²	26	56.9 Å²	56.9	10%	0.102	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134.1	175.6	179.5	-119.7	0	0	0	110.9	R661 M669 R671 G688 C689 N695	R661-Y686 WeakPolarHBondContact O-CD2 3.28Å; M669-Y686 PolarHBondContact N-O 3.25Å; M669-Y686 PolarHBondContact O-N 3.42Å; R671-Y686 HydrophobicContact CG-CD1 4.4Å; R671-Y686 HydrophobicContact CG-CG 4.34Å; Y686-G688 WeakPolarHBondContact CE1-O 3.34Å; Y686-G688 VanDerWaalsContact CZ-O 3.27Å; Y686-G688 PolarHBondContact OH-O 2.8Å; Y686-C689 VanDerWaalsContact OH-C 3.26Å; Y686-C689 VanDerWaalsContact OH-CA 3.27Å; Y686-C689 WeakPolarHBondContact OH-CA 3.38Å; Y686-C689 PolarHBondContact OH-N 2.65Å; Y686-C689 PolarHBondContact OH-O 2.82Å; Y686-N695 WeakPolarHBondContact CD2-ND2 3.31Å; Y686-N695 WeakPolarHBondContact CE2-ND2 2.87Å; Y686-N695 VanDerWaalsContact CG-ND2 3.32Å
687	Y	79.3	Confident	83.1	Confident	66 Å²	66	61 Å²	61	26%	0.259	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-0.2	-173.2	-60.4	-50	0	0	0	114.9	R661 T663 Q664 C665 P668 T685	R661-Y687 HydrophobicContact CB-CD2 3.77Å; R661-Y687 HydrophobicContact CB-CE2 3.75Å; R661-Y687 HydrophobicContact CG-CE2 4.41Å; R661-Y687 PolarHBondContact NH1-OH 3.03Å; R661-Y687 VanDerWaalsContact NH1-OH 3.14Å; R661-Y687 PolarHBondContact O-N 2.77Å; T663-Y687 CarbonylContact O-C 3.57Å; Q664-Y687 WeakPolarHBondContact CA-O 3.06Å; C665-Y687 PolarHBondContact N-O 3.36Å; C665-Y687 VanDerWaalsContact N-O 3.12Å; P668-Y687 HydrophobicContact CB-CD1 3.97Å; P668-Y687 HydrophobicContact CB-CE1 4.22Å; P668-Y687 HydrophobicContact CG-CD1 4Å; P668-Y687 HydrophobicContact CG-CE1 4.22Å; T685-Y687 HydrophobicContact CG2-CD1 4.33Å; T685-Y687 HydrophobicContact CG2-CE1 3.97Å
688	G	64.5	Low	83.4	Confident	27 Å²	27	55.5 Å²	55.5	28%	0.278	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	118.4	-37.1	166.8	0	0	0	0	0	115	Y686	Y686-G688 WeakPolarHBondContact CE1-O 3.34Å; Y686-G688 VanDerWaalsContact CZ-O 3.27Å; Y686-G688 PolarHBondContact OH-O 2.8Å
689	C	70.7	Confident	83.5	Confident	38 Å²	38	53.9 Å²	53.9	26%	0.257	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	166.3	-174.7	-69.4	0	0	0	0	112.9	G662 T663 C665 Y686 G691	G662-C689 CarbonylContact C-O 3.53Å; G662-C689 WeakPolarHBondContact CA-O 3.37Å; T663-C689 PolarHBondContact N-O 2.04Å; T663-C689 PolarHBondContact O-N 3.33Å; T663-C689 VanDerWaalsContact O-N 3.16Å; C665-C689 HydrophobicContact CB-CB 3.87Å; C665-C689 WeakPolarHBondContact CB-SG 3.45Å; C665-C689 WeakPolarHBondContact SG-CB 3.2Å; C665-C689 PolarHBondContact SG-N 2.89Å; C665-C689 CovalentContact SG-SG 2.03Å; C665-C689 PolarHBondContact SG-SG 2.93Å; Y686-C689 VanDerWaalsContact OH-C 3.26Å; Y686-C689 VanDerWaalsContact OH-CA 3.27Å; Y686-C689 WeakPolarHBondContact OH-CA 3.38Å; Y686-C689 PolarHBondContact OH-N 2.65Å; Y686-C689 PolarHBondContact OH-O 2.82Å; C689-G691 PolarHBondContact O-N 3.2Å
690	S	71.7	Confident	83.4	Confident	65 Å²	65	51.7 Å²	51.7	46%	0.455	29%	0.285	S	S	.	.	S	Bend	trans	59.5	7.9	169.9	-38.6	0	0	0	0	118.1	N660 T663	N660-S690 PolarHBondContact ND2-O 2.61Å; T663-S690 WeakPolarHBondContact OG1-CB 3.35Å; T663-S690 PolarHBondContact OG1-OG 3.47Å
691	G	72.1	Confident	83.3	Confident	29 Å²	29	48.1 Å²	48.1	30%	0.299	27%	0.273	S	S	.	.			trans	-69.3	-171.2	176.6	0	0	0	0	0	113.4	C689	C689-G691 PolarHBondContact O-N 3.2Å
692	N	79.8	Confident	83.3	Confident	28 Å²	28	47.5 Å²	47.5	15%	0.15	27%	0.268	C	S	.	.			trans	-116.2	172.1	175.2	67.8	-16.4	0	0	0	112.3	Q657 P658 N660 N694 N695	Q657-N692 WeakPolarHBondContact CB-ND2 3.29Å; Q657-N692 VanDerWaalsContact OE1-CB 3.29Å; Q657-N692 PolarHBondContact OE1-ND2 2.84Å; P658-N692 PolarHBondContact O-ND2 3.27Å; N660-N692 HydrophobicContact CB-CB 4.12Å; N660-N692 VanDerWaalsContact CB-OD1 3.26Å; N660-N692 WeakPolarHBondContact CB-OD1 3.44Å; N660-N692 PolarHBondContact N-OD1 3.07Å; N692-N694 VanDerWaalsContact C-N 3.27Å; N692-N694 PolarHBondContact O-N 3.49Å; N692-N695 WeakPolarHBondContact O-CB 3Å
693	D	86	Confident	83.1	Confident	70 Å²	70	46.6 Å²	46.6	37%	0.374	26%	0.261	S	S	.	.	S	Bend	trans	-72.1	-13.9	-170.8	-56.8	-80.5	0	0	0	114.4	G611 I654 N695	G611-D693 WeakPolarHBondContact CA-OD1 2.96Å; G611-D693 VanDerWaalsContact CA-OD2 3.32Å; G611-D693 WeakPolarHBondContact CA-OD2 3.01Å; G611-D693 PolarHBondContact N-OD1 2.81Å; I654-D693 HydrophobicContact CD1-CB 4.44Å; I654-D693 HydrophobicContact CG1-CB 4.21Å; I654-D693 HydrophobicContact CG2-CB 3.66Å; D693-N695 PolarHBondContact O-N 3.29Å
694	N	88.8	Confident	82.5	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-77	55.9	170.6	-159.9	0.9	0	0	0	110.9	I654 C655 Q657 Y673 F674 N692 F696	I654-N694 WeakPolarHBondContact O-CB 3.29Å; C655-N694 PolarHBondContact O-ND2 2.89Å; Q657-N694 HydrophobicContact CB-CB 4.29Å; Q657-N694 PolarHBondContact O-ND2 2.8Å; Y673-N694 WeakPolarHBondContact CA-OD1 3.39Å; Y673-N694 WeakPolarHBondContact CB-O 3.5Å; F674-N694 PolarHBondContact N-OD1 3.24Å; F674-N694 PolarHBondContact O-ND2 3.31Å; N692-N694 VanDerWaalsContact C-N 3.27Å; N692-N694 PolarHBondContact O-N 3.49Å; N694-F696 WeakPolarHBondContact OD1-CE2 3.04Å
695	N	86.8	Confident	82.2	Confident	29 Å²	29	39.2 Å²	39.2	16%	0.155	24%	0.235	C	C	.	.			trans	-147.3	92.8	-169.2	-177.6	-18.8	0	0	0	110.4	R671 F684 Y686 N692 D693	R671-N695 WeakPolarHBondContact CB-OD1 3.4Å; R671-N695 WeakPolarHBondContact CD-OD1 3.16Å; R671-N695 WeakPolarHBondContact CG-OD1 3.5Å; R671-N695 PolarHBondContact NH1-OD1 2.89Å; F684-N695 HydrophobicContact CE1-CB 4.43Å; F684-N695 HydrophobicContact CZ-CB 3.99Å; Y686-N695 WeakPolarHBondContact CD2-ND2 3.31Å; Y686-N695 WeakPolarHBondContact CE2-ND2 2.87Å; Y686-N695 VanDerWaalsContact CG-ND2 3.32Å; N692-N695 WeakPolarHBondContact O-CB 3Å; D693-N695 PolarHBondContact O-N 3.29Å
696	F	87.7	Confident	82.1	Confident	18 Å²	18	36.5 Å²	36.5	8%	0.079	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-107.6	148.9	-173.9	-54.9	-81	0	0	0	111.5	R671 F672 N694 A701 C702 F705 C706	R671-F696 WeakPolarHBondContact CA-O 3.13Å; F672-F696 HydrophobicContact CB-CB 4.47Å; F672-F696 PolarHBondContact N-O 3.46Å; F672-F696 WeakPolarHBondContact O-CD2 3.38Å; F672-F696 PolarHBondContact O-N 3.08Å; N694-F696 WeakPolarHBondContact OD1-CE2 3.04Å; F696-A701 HydrophobicContact CB-CB 4.38Å; F696-C702 HydrophobicContact CB-CB 3.71Å; F696-C702 HydrophobicContact CD2-CB 3.48Å; F696-C702 VanDerWaalsContact CD2-CB 3.48Å; F696-C702 WeakPolarHBondContact CD2-SG 3.46Å; F696-C702 HydrophobicContact CE2-CB 4.28Å; F696-C702 HydrophobicContact CG-CB 3.67Å; F696-F705 HydrophobicContact CD1-CB 4.43Å; F696-F705 HydrophobicContact CE1-CB 3.71Å; F696-F705 AromaticContact CE1-CD1 3.59Å; F696-F705 HydrophobicContact CE1-CD1 3.59Å; F696-F705 HydrophobicContact CE1-CD2 4.27Å; F696-F705 HydrophobicContact CE1-CE1 4.25Å; F696-F705 AromaticContact CE1-CG 3.6Å; F696-F705 HydrophobicContact CE1-CG 3.6Å; F696-F705 HydrophobicContact CZ-CB 4.15Å; F696-F705 AromaticContact CZ-CD1 3.4Å; F696-F705 HydrophobicContact CZ-CD1 3.4Å; F696-F705 VanDerWaalsContact CZ-CD1 3.4Å; F696-F705 AromaticContact CZ-CE1 3.95Å; F696-F705 HydrophobicContact CZ-CE1 3.95Å; F696-F705 AromaticContact CZ-CG 3.91Å; F696-F705 HydrophobicContact CZ-CG 3.91Å; F696-C706 VanDerWaalsContact CE2-SG 3.6Å
697	L	83.1	Confident	82.2	Confident	133 Å²	133	35.4 Å²	35.4	70%	0.696	22%	0.215	S	C	*	.	S	Bend	trans	-71	-29.2	-179.7	-174.2	63	0	0	0	113.1
698	S	85.3	Confident	82.4	Confident	40 Å²	40	32.3 Å²	32.3	28%	0.28	20%	0.203	S	C	.	.	S	Bend	trans	-140.5	160.3	-178.3	70.6	0	0	0	0	112.4	S700 A701 C702	S698-S700 VanDerWaalsContact C-N 3.27Å; S698-S700 PolarHBondContact O-N 2.74Å; S698-S700 PolarHBondContact OG-OG 2.76Å; S698-A701 PolarHBondContact O-N 2.86Å; S698-A701 WeakPolarHBondContact OG-CB 2.87Å; S698-A701 PolarHBondContact OG-N 2.93Å; S698-C702 WeakPolarHBondContact O-CB 3.43Å; S698-C702 PolarHBondContact O-N 2.82Å; S698-C702 VanDerWaalsContact O-N 3.07Å
699	L	85.7	Confident	83.5	Confident	62 Å²	62	32.1 Å²	32.1	33%	0.325	20%	0.197	S	C	.	.	H	α-helix	trans	-54.3	-44.5	171.2	-178.5	59.5	0	0	0	111.8	F672 C681 C702 M703	F672-L699 HydrophobicContact CD1-CB 3.96Å; F672-L699 HydrophobicContact CD1-CD1 3.97Å; F672-L699 VanDerWaalsContact CD2-N 3.35Å; F672-L699 HydrophobicContact CE1-CB 3.79Å; F672-L699 HydrophobicContact CE1-CD1 4.18Å; F672-L699 HydrophobicContact CE1-CG 4.49Å; F672-L699 HydrophobicContact CG-CB 4.43Å; F672-L699 HydrophobicContact CZ-CB 4.13Å; C681-L699 HydrophobicContact CB-CD1 3.59Å; L699-C702 WeakPolarHBondContact O-CB 3.4Å; L699-C702 PolarHBondContact O-N 3.26Å; L699-M703 HydrophobicContact CD1-CG 4.2Å; L699-M703 WeakPolarHBondContact O-CG 3.48Å; L699-M703 PolarHBondContact O-N 3.2Å
700	S	81.3	Confident	84.1	Confident	60 Å²	60	31.4 Å²	31.4	42%	0.42	19%	0.194	S	C	.	.	H	α-helix	trans	-64.9	-45.5	179.5	51.8	0	0	0	0	112.6	S698 C702 M703 N704	S698-S700 VanDerWaalsContact C-N 3.27Å; S698-S700 PolarHBondContact O-N 2.74Å; S698-S700 PolarHBondContact OG-OG 2.76Å; S700-C702 VanDerWaalsContact C-N 3.29Å; S700-C702 PolarHBondContact O-N 2.72Å; S700-M703 PolarHBondContact O-N 2.78Å; S700-N704 VanDerWaalsContact O-CB 3.25Å; S700-N704 WeakPolarHBondContact O-CB 3.17Å; S700-N704 PolarHBondContact O-N 2.84Å; S700-N704 PolarHBondContact O-OD1 3.07Å
701	A	83.5	Confident	84.8	Confident	24 Å²	24	28.7 Å²	28.7	20%	0.198	18%	0.175	C	C	.	.	H	α-helix	trans	-60.5	-42.1	176.2	0	0	0	0	0	111.3	F696 S698 F705	F696-A701 HydrophobicContact CB-CB 4.38Å; S698-A701 PolarHBondContact O-N 2.86Å; S698-A701 WeakPolarHBondContact OG-CB 2.87Å; S698-A701 PolarHBondContact OG-N 2.93Å; A701-F705 VanDerWaalsContact O-CB 3.24Å; A701-F705 WeakPolarHBondContact O-CB 3.49Å; A701-F705 PolarHBondContact O-N 3.36Å
702	C	88.9	Confident	85.2	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-51.8	176.1	-175.4	0	0	0	0	112.4	F672 F674 C681 F696 S698 L699 S700 F705 C706	F672-C702 HydrophobicContact CB-CB 3.94Å; F674-C702 PolarHBondContact N-SG 3.19Å; F674-C702 VanDerWaalsContact N-SG 3.39Å; C681-C702 HydrophobicContact CB-CB 3.65Å; C681-C702 WeakPolarHBondContact CB-SG 3.33Å; C681-C702 WeakPolarHBondContact SG-CB 3.24Å; C681-C702 CovalentContact SG-SG 2.02Å; C681-C702 PolarHBondContact SG-SG 3.34Å; F696-C702 HydrophobicContact CB-CB 3.71Å; F696-C702 HydrophobicContact CD2-CB 3.48Å; F696-C702 VanDerWaalsContact CD2-CB 3.48Å; F696-C702 WeakPolarHBondContact CD2-SG 3.46Å; F696-C702 HydrophobicContact CE2-CB 4.28Å; F696-C702 HydrophobicContact CG-CB 3.67Å; S698-C702 WeakPolarHBondContact O-CB 3.43Å; S698-C702 PolarHBondContact O-N 2.82Å; S698-C702 VanDerWaalsContact O-N 3.07Å; L699-C702 WeakPolarHBondContact O-CB 3.4Å; L699-C702 PolarHBondContact O-N 3.26Å; S700-C702 VanDerWaalsContact C-N 3.29Å; S700-C702 PolarHBondContact O-N 2.72Å; C702-F705 PolarHBondContact O-N 3.12Å; C702-C706 VanDerWaalsContact O-CB 3.31Å; C702-C706 WeakPolarHBondContact O-CB 3.31Å; C702-C706 PolarHBondContact O-N 3.19Å
703	M	86.9	Confident	84.9	Confident	20 Å²	20	31.9 Å²	31.9	10%	0.099	19%	0.188	C	C	.	.	H	α-helix	trans	-65	-43.1	-178.7	-71.6	-59.2	-67.7	0	0	111.2	C681 L699 S700 S707	C681-M703 HydrophobicContact CB-CG 3.94Å; C681-M703 HydrophobicContact CB-SD 3.63Å; C681-M703 PolarHBondContact N-SD 3.47Å; C681-M703 VanDerWaalsContact N-SD 3.36Å; C681-M703 PolarHBondContact SG-N 2.04Å; C681-M703 VanDerWaalsContact SG-N 3.38Å; L699-M703 HydrophobicContact CD1-CG 4.2Å; L699-M703 WeakPolarHBondContact O-CG 3.48Å; L699-M703 PolarHBondContact O-N 3.2Å; S700-M703 PolarHBondContact O-N 2.78Å; M703-S707 WeakPolarHBondContact O-CA 3.25Å; M703-S707 WeakPolarHBondContact O-CB 3.21Å; M703-S707 PolarHBondContact O-N 3.28Å; M703-S707 PolarHBondContact O-OG 3.26Å
704	N	82	Confident	84.4	Confident	27 Å²	27	28.5 Å²	28.5	14%	0.144	17%	0.17	C	C	.	.	H	α-helix	trans	-60.9	-48.3	177.3	-70.7	24.3	0	0	0	111.6	S700 S708 V719 Q776	S700-N704 VanDerWaalsContact O-CB 3.25Å; S700-N704 WeakPolarHBondContact O-CB 3.17Å; S700-N704 PolarHBondContact O-N 2.84Å; S700-N704 PolarHBondContact O-OD1 3.07Å; N704-S708 WeakPolarHBondContact O-CB 3.32Å; N704-S708 PolarHBondContact O-N 3.23Å; N704-S708 PolarHBondContact O-OG 3.28Å; N704-V719 WeakPolarHBondContact OD1-CG2 3.46Å; N704-Q776 HydrophobicContact CB-CG 4.33Å; N704-Q776 PolarHBondContact ND2-OE1 2.87Å
705	F	86.6	Confident	84.3	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.018	17%	0.172	C	C	.	.	H	α-helix	trans	-67.6	-53.4	-178.6	-179.3	-84.9	0	0	0	111.4	Y609 R651 I654 C655 F696 A701 C702 S708 P773 L774	Y609-F705 VanDerWaalsContact O-CE2 3.22Å; Y609-F705 WeakPolarHBondContact O-CE2 3.27Å; Y609-F705 WeakPolarHBondContact O-CZ 3.23Å; R651-F705 HydrophobicContact CB-CE1 4.35Å; R651-F705 HydrophobicContact CG-CE1 4.24Å; R651-F705 HydrophobicContact CG-CE2 4.33Å; R651-F705 HydrophobicContact CG-CZ 4.03Å; I654-F705 HydrophobicContact CB-CE1 4.18Å; I654-F705 HydrophobicContact CD1-CE1 4.41Å; I654-F705 HydrophobicContact CD1-CZ 3.91Å; I654-F705 HydrophobicContact CG2-CE1 3.84Å; I654-F705 HydrophobicContact CG2-CZ 4.29Å; C655-F705 VanDerWaalsContact SG-CD1 3.55Å; F696-F705 HydrophobicContact CD1-CB 4.43Å; F696-F705 HydrophobicContact CE1-CB 3.71Å; F696-F705 AromaticContact CE1-CD1 3.59Å; F696-F705 HydrophobicContact CE1-CD1 3.59Å; F696-F705 HydrophobicContact CE1-CD2 4.27Å; F696-F705 HydrophobicContact CE1-CE1 4.25Å; F696-F705 AromaticContact CE1-CG 3.6Å; F696-F705 HydrophobicContact CE1-CG 3.6Å; F696-F705 HydrophobicContact CZ-CB 4.15Å; F696-F705 AromaticContact CZ-CD1 3.4Å; F696-F705 HydrophobicContact CZ-CD1 3.4Å; F696-F705 VanDerWaalsContact CZ-CD1 3.4Å; F696-F705 AromaticContact CZ-CE1 3.95Å; F696-F705 HydrophobicContact CZ-CE1 3.95Å; F696-F705 AromaticContact CZ-CG 3.91Å; F696-F705 HydrophobicContact CZ-CG 3.91Å; A701-F705 VanDerWaalsContact O-CB 3.24Å; A701-F705 WeakPolarHBondContact O-CB 3.49Å; A701-F705 PolarHBondContact O-N 3.36Å; C702-F705 PolarHBondContact O-N 3.12Å; F705-S708 PolarHBondContact O-N 3.17Å; F705-P773 HydrophobicContact CD2-CB 4.4Å; F705-P773 HydrophobicContact CE2-CB 4.41Å; F705-L774 HydrophobicContact CD2-CD1 4.4Å; F705-L774 HydrophobicContact CE2-CD1 3.98Å
706	C	89.1	Confident	84	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-78.2	-30.2	-171.2	-70.2	0	0	0	0	114.3	C655 F674 F696 C702 S708 S709	C655-C706 HydrophobicContact CB-CB 3.62Å; C655-C706 WeakPolarHBondContact CB-SG 3.01Å; C655-C706 WeakPolarHBondContact SG-CA 3.43Å; C655-C706 WeakPolarHBondContact SG-CB 3.07Å; C655-C706 CovalentContact SG-SG 2.02Å; C655-C706 PolarHBondContact SG-SG 2.94Å; F674-C706 HydrophobicContact CB-CB 3.6Å; F674-C706 WeakPolarHBondContact CB-SG 3.43Å; F674-C706 HydrophobicContact CD1-CB 4.26Å; F674-C706 HydrophobicContact CD2-CB 3.51Å; F674-C706 HydrophobicContact CE2-CB 4.21Å; F674-C706 HydrophobicContact CG-CB 3.53Å; F696-C706 VanDerWaalsContact CE2-SG 3.6Å; C702-C706 VanDerWaalsContact O-CB 3.31Å; C702-C706 WeakPolarHBondContact O-CB 3.31Å; C702-C706 PolarHBondContact O-N 3.19Å; C706-S708 VanDerWaalsContact C-N 3.27Å; C706-S709 PolarHBondContact O-OG 3.44Å; C706-S709 VanDerWaalsContact O-OG 3.07Å
707	S	86.7	Confident	83.9	Confident	4 Å²	4	27.5 Å²	27.5	3%	0.028	17%	0.166	C	C	.	.	H	α-helix	trans	-81.2	-7.9	170.6	-48.5	0	0	0	0	112.2	M703 S709 I753	M703-S707 WeakPolarHBondContact O-CA 3.25Å; M703-S707 WeakPolarHBondContact O-CB 3.21Å; M703-S707 PolarHBondContact O-N 3.28Å; M703-S707 PolarHBondContact O-OG 3.26Å; S707-S709 VanDerWaalsContact C-N 3.25Å; S707-S709 PolarHBondContact O-N 2.03Å; S707-I753 WeakPolarHBondContact O-CD1 3.48Å
708	S	84.4	Confident	83.8	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	15.2	169.5	-61.6	0	0	0	0	113.4	R651 N704 F705 C706 A710 C711 I717	R651-S708 WeakPolarHBondContact CD-O 3.42Å; R651-S708 PolarHBondContact NH1-O 3.01Å; N704-S708 WeakPolarHBondContact O-CB 3.32Å; N704-S708 PolarHBondContact O-N 3.23Å; N704-S708 PolarHBondContact O-OG 3.28Å; F705-S708 PolarHBondContact O-N 3.17Å; C706-S708 VanDerWaalsContact C-N 3.27Å; S708-A710 PolarHBondContact O-N 3.04Å; S708-A710 VanDerWaalsContact O-N 3.13Å; S708-C711 PolarHBondContact O-N 2.85Å; S708-I717 PolarHBondContact OG-N 3.09Å
709	S	85.8	Confident	83.3	Confident	24 Å²	24	23 Å²	23	17%	0.168	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.9	-178.1	41.3	0	0	0	0	114.9	C706 S707 D746	C706-S709 PolarHBondContact O-OG 3.44Å; C706-S709 VanDerWaalsContact O-OG 3.07Å; S707-S709 VanDerWaalsContact C-N 3.25Å; S707-S709 PolarHBondContact O-N 2.03Å; S709-D746 WeakPolarHBondContact CB-OD1 3.45Å; S709-D746 PolarHBondContact OG-OD1 3.04Å; S709-D746 PolarHBondContact OG-OD2 2.92Å
710	A	85.1	Confident	82.8	Confident	23 Å²	23	22.4 Å²	22.4	19%	0.19	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-9.5	174.2	0	0	0	0	0	115	S708 R744 D746 I753	S708-A710 PolarHBondContact O-N 3.04Å; S708-A710 VanDerWaalsContact O-N 3.13Å; A710-R744 HydrophobicContact CB-CB 4.09Å; A710-R744 WeakPolarHBondContact O-CD 3.04Å; A710-D746 HydrophobicContact CB-CB 3.75Å; A710-I753 HydrophobicContact CB-CD1 4.22Å
711	C	86.1	Confident	82.4	Confident	8 Å²	8	24.6 Å²	24.6	5%	0.054	15%	0.151	C	C	.	.	S	Bend	trans	-85.1	147.7	-174.7	-49.9	0	0	0	0	110.9	R651 S708 E715 C755	R651-C711 PolarHBondContact NH1-O 3.01Å; S708-C711 PolarHBondContact O-N 2.85Å; C711-E715 HydrophobicContact CB-CB 3.86Å; C711-C755 WeakPolarHBondContact CA-SG 3.44Å; C711-C755 HydrophobicContact CB-CB 3.54Å; C711-C755 WeakPolarHBondContact CB-SG 3.44Å; C711-C755 PolarHBondContact N-SG 2.89Å; C711-C755 VanDerWaalsContact SG-CA 3.6Å; C711-C755 WeakPolarHBondContact SG-CB 3.21Å; C711-C755 CovalentContact SG-SG 2.04Å; C711-C755 PolarHBondContact SG-SG 2.88Å
712	D	80	Confident	82	Confident	65 Å²	65	27.8 Å²	27.8	35%	0.348	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-65.1	165	178.4	-77.9	-15.2	0	0	0	112	R651 G714 E715 R744	R651-D712 PolarHBondContact NH1-O 2.84Å; D712-G714 PolarHBondContact O-N 2.84Å; D712-E715 HydrophobicContact CB-CG 4.12Å; D712-E715 PolarHBondContact N-OE2 2.7Å; D712-E715 VanDerWaalsContact N-OE2 3.12Å; D712-E715 WeakPolarHBondContact O-CB 3.32Å; D712-E715 PolarHBondContact O-N 3.36Å; D712-R744 IonicContact OD1-CZ 3.64Å; D712-R744 IonicContact OD1-NH1 2.87Å; D712-R744 PolarHBondContact OD1-NH1 2.89Å; D712-R744 IonicContact OD1-NH2 2.72Å; D712-R744 IonicContact OD2-CZ 3.84Å; D712-R744 IonicContact OD2-NH1 3.3Å; D712-R744 PolarHBondContact OD2-NH1 3.35Å; D712-R744 IonicContact OD2-NH2 3.7Å; D712-R744 PolarHBondContact OD2-NH2 2.88Å
713	P	73.8	Confident	81.5	Confident	58 Å²	58	32.5 Å²	32.5	38%	0.377	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	126.2	165.5	-21.3	27.6	0	0	0	111.7	Y609 E715	Y609-P713 WeakPolarHBondContact OH-CA 3.3Å; Y609-P713 VanDerWaalsContact OH-CG 3.29Å; Y609-P713 WeakPolarHBondContact OH-CG 3.28Å; P713-E715 VanDerWaalsContact C-N 3.34Å
714	G	75.9	Confident	80.8	Confident	0 Å²	0	36 Å²	36	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-5.9	-177.9	0	0	0	0	0	115.9	D712 I771	D712-G714 PolarHBondContact O-N 2.84Å; G714-I771 WeakPolarHBondContact CA-O 3.47Å; G714-I771 PolarHBondContact O-N 3.02Å
715	E	85.1	Confident	80.5	Confident	6 Å²	6	35.3 Å²	35.3	3%	0.028	22%	0.221	C	C	.	.			trans	-95	150.4	169.9	-64	-179.3	174.4	0	0	111.2	R651 C711 D712 P713 R744 R808	R651-E715 PolarHBondContact NH2-O 2.8Å; C711-E715 HydrophobicContact CB-CB 3.86Å; D712-E715 HydrophobicContact CB-CG 4.12Å; D712-E715 PolarHBondContact N-OE2 2.7Å; D712-E715 VanDerWaalsContact N-OE2 3.12Å; D712-E715 WeakPolarHBondContact O-CB 3.32Å; D712-E715 PolarHBondContact O-N 3.36Å; P713-E715 VanDerWaalsContact C-N 3.34Å; E715-R744 VanDerWaalsContact CD-NH2 3.26Å; E715-R744 IonicContact OE1-NH2 2.59Å; E715-R744 PolarHBondContact OE1-NH2 3.46Å; E715-R744 IonicContact OE2-CZ 3.65Å; E715-R744 IonicContact OE2-NE 3.5Å; E715-R744 PolarHBondContact OE2-NE 2.98Å; E715-R744 IonicContact OE2-NH2 3.93Å; E715-R744 PolarHBondContact OE2-NH2 3.28Å; E715-R808 IonicContact OE1-CZ 2.81Å; E715-R808 VanDerWaalsContact OE1-CZ 3.24Å; E715-R808 IonicContact OE1-NH1 2.67Å; E715-R808 PolarHBondContact OE1-NH1 3.08Å; E715-R808 IonicContact OE1-NH2 3.53Å; E715-R808 PolarHBondContact OE1-NH2 3.21Å
716	G	81.6	Confident	80.2	Confident	3 Å²	3	35.9 Å²	35.9	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	-179.5	168.4	0	0	0	0	0	112	C755 G756	G716-C755 WeakPolarHBondContact O-CA 3.43Å; G716-G756 PolarHBondContact N-O 2.84Å; G716-G756 PolarHBondContact O-N 2.86Å; G716-G756 VanDerWaalsContact O-O 3.07Å
717	I	84.7	Confident	80.1	Confident	17 Å²	17	39.1 Å²	39.1	9%	0.087	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	159.4	171.6	54.3	156.7	0	0	0	112.2	S708 V719 A726 I753	S708-I717 PolarHBondContact OG-N 3.09Å; I717-V719 HydrophobicContact CD1-CG2 4.18Å; I717-A726 HydrophobicContact CB-CB 4.49Å; I717-A726 HydrophobicContact CD1-CB 3.62Å; I717-A726 HydrophobicContact CG2-CB 4.42Å; I717-I753 HydrophobicContact CG2-CD1 3.93Å
718	I	80.7	Confident	80.1	Confident	36 Å²	36	46.2 Å²	46.2	19%	0.185	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-82.7	122.3	157.9	-53	178.8	0	0	0	107.8	M727 P738 Y741	I718-M727 HydrophobicContact CB-CB 4.03Å; I718-M727 HydrophobicContact CB-CE 4.4Å; I718-M727 HydrophobicContact CB-SD 4.32Å; I718-M727 HydrophobicContact CD1-SD 4.03Å; I718-M727 HydrophobicContact CG2-CB 4.39Å; I718-M727 HydrophobicContact CG2-CE 3.77Å; I718-M727 HydrophobicContact CG2-SD 4.32Å; I718-M727 WeakPolarHBondContact O-CB 3.47Å; I718-M727 PolarHBondContact O-N 3.06Å; I718-P738 HydrophobicContact CD1-CB 4.25Å; I718-P738 HydrophobicContact CD1-CG 3.62Å; I718-Y741 HydrophobicContact CD1-CD1 3.99Å; I718-Y741 HydrophobicContact CD1-CD2 3.87Å; I718-Y741 HydrophobicContact CD1-CE1 4.09Å; I718-Y741 HydrophobicContact CD1-CE2 3.95Å; I718-Y741 HydrophobicContact CD1-CG 3.9Å; I718-Y741 HydrophobicContact CG1-CD1 3.71Å; I718-Y741 HydrophobicContact CG1-CD2 4.3Å; I718-Y741 HydrophobicContact CG1-CE1 3.45Å; I718-Y741 VanDerWaalsContact CG1-CE1 3.45Å; I718-Y741 HydrophobicContact CG1-CE2 4.07Å; I718-Y741 HydrophobicContact CG1-CG 4.15Å
719	V	75.9	Confident	80.5	Confident	41 Å²	41	47.1 Å²	47.1	25%	0.248	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-84.1	127.5	169.1	-170.8	0	0	0	0	108.3	N704 I717 P721 G725	N704-V719 WeakPolarHBondContact OD1-CG2 3.46Å; I717-V719 HydrophobicContact CD1-CG2 4.18Å; V719-P721 WeakPolarHBondContact O-CD 3.32Å; V719-G725 CarbonylContact C-O 3.57Å; V719-G725 WeakPolarHBondContact CA-O 3.42Å
720	D	75.5	Confident	80.7	Confident	50 Å²	50	49.9 Å²	49.9	27%	0.267	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-70.8	117.9	167.2	167.3	17.8	0	0	0	109.2	A722 T723 Q724 G725	D720-A722 PolarHBondContact O-N 2.75Å; D720-A722 WeakPolarHBondContact OD1-CB 2.99Å; D720-A722 PolarHBondContact OD1-N 2.85Å; D720-T723 WeakPolarHBondContact CB-OG1 3.38Å; D720-T723 VanDerWaalsContact CG-OG1 3.3Å; D720-T723 PolarHBondContact O-N 2.89Å; D720-T723 WeakPolarHBondContact OD2-CB 3.01Å; D720-T723 VanDerWaalsContact OD2-CG2 3.25Å; D720-T723 WeakPolarHBondContact OD2-CG2 3.44Å; D720-T723 PolarHBondContact OD2-N 2.86Å; D720-T723 PolarHBondContact OD2-OG1 2.04Å; D720-Q724 WeakPolarHBondContact O-CA 3.42Å; D720-Q724 PolarHBondContact O-N 3.45Å; D720-G725 PolarHBondContact N-O 3.13Å
721	P	72.7	Confident	80.7	Confident	107 Å²	107	52.6 Å²	52.6	70%	0.695	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.4	-179.6	-24.1	34.6	0	0	0	113.6	V719 Q724	V719-P721 WeakPolarHBondContact O-CD 3.32Å; P721-Q724 PolarHBondContact O-NE2 3Å
722	A	75.6	Confident	80.7	Confident	90 Å²	90	57.3 Å²	57.3	74%	0.744	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-42.1	-175.6	0	0	0	0	0	112.5	D720	D720-A722 PolarHBondContact O-N 2.75Å; D720-A722 WeakPolarHBondContact OD1-CB 2.99Å; D720-A722 PolarHBondContact OD1-N 2.85Å
723	T	76.8	Confident	81	Confident	99 Å²	99	57.7 Å²	57.7	61%	0.607	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-9.7	-178.4	60	0	0	0	0	114.5	D720 G725	D720-T723 WeakPolarHBondContact CB-OG1 3.38Å; D720-T723 VanDerWaalsContact CG-OG1 3.3Å; D720-T723 PolarHBondContact O-N 2.89Å; D720-T723 WeakPolarHBondContact OD2-CB 3.01Å; D720-T723 VanDerWaalsContact OD2-CG2 3.25Å; D720-T723 WeakPolarHBondContact OD2-CG2 3.44Å; D720-T723 PolarHBondContact OD2-N 2.86Å; D720-T723 PolarHBondContact OD2-OG1 2.04Å; T723-G725 PolarHBondContact O-N 2.84Å; T723-G725 VanDerWaalsContact O-N 3.11Å
724	Q	72.7	Confident	81.5	Confident	95 Å²	95	60.4 Å²	60.4	44%	0.444	36%	0.362	S	S	.	.	S	Bend	trans	56	19.6	-172.3	-60	-72.5	-62.8	0	0	113.4	D720 P721	D720-Q724 WeakPolarHBondContact O-CA 3.42Å; D720-Q724 PolarHBondContact O-N 3.45Å; P721-Q724 PolarHBondContact O-NE2 3Å
725	G	74.7	Confident	81.7	Confident	12 Å²	12	67.8 Å²	67.8	12%	0.124	40%	0.402	C	S	.	.	S	Bend	trans	-114.8	173.4	-179.8	0	0	0	0	0	112.8	V719 D720 T723	V719-G725 CarbonylContact C-O 3.57Å; V719-G725 WeakPolarHBondContact CA-O 3.42Å; D720-G725 PolarHBondContact N-O 3.13Å; T723-G725 PolarHBondContact O-N 2.84Å; T723-G725 VanDerWaalsContact O-N 3.11Å
726	A	81.2	Confident	82	Confident	16 Å²	16	69.6 Å²	69.6	13%	0.132	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-66.3	137.1	175.6	0	0	0	0	0	111.9	I717 K728 I753	I717-A726 HydrophobicContact CB-CB 4.49Å; I717-A726 HydrophobicContact CD1-CB 3.62Å; I717-A726 HydrophobicContact CG2-CB 4.42Å; A726-K728 PolarHBondContact O-N 3.36Å; A726-I753 HydrophobicContact CB-CB 4.48Å; A726-I753 HydrophobicContact CB-CG2 3.79Å
727	M	86.4	Confident	82.4	Confident	67 Å²	67	70.4 Å²	70.4	33%	0.33	42%	0.419	S	S	.	.			trans	-61.2	109.4	169.4	-178.7	177.6	-75.1	0	0	109.8	I718 P738 I753 C754	I718-M727 HydrophobicContact CB-CB 4.03Å; I718-M727 HydrophobicContact CB-CE 4.4Å; I718-M727 HydrophobicContact CB-SD 4.32Å; I718-M727 HydrophobicContact CD1-SD 4.03Å; I718-M727 HydrophobicContact CG2-CB 4.39Å; I718-M727 HydrophobicContact CG2-CE 3.77Å; I718-M727 HydrophobicContact CG2-SD 4.32Å; I718-M727 WeakPolarHBondContact O-CB 3.47Å; I718-M727 PolarHBondContact O-N 3.06Å; M727-P738 HydrophobicContact SD-CG 4.41Å; M727-I753 WeakPolarHBondContact O-CA 3.01Å; M727-C754 PolarHBondContact O-N 2.94Å; M727-C754 VanDerWaalsContact O-N 3.12Å
728	K	87.5	Confident	82.5	Confident	153 Å²	153	72.4 Å²	72.4	67%	0.665	43%	0.433	S	S	*	.	B	Isolated β-bridge	trans	-75.1	144	176	-63.9	175.9	-175.8	171.6	0	110.4	A726 S752	A726-K728 PolarHBondContact O-N 3.36Å; K728-S752 CarbonylContact C-O 3.49Å; K728-S752 VanDerWaalsContact CA-O 3.28Å; K728-S752 WeakPolarHBondContact CA-O 3.39Å
729	C	91.8	Very high	82.6	Confident	19 Å²	19	75.4 Å²	75.4	13%	0.128	46%	0.464	C	S	.	.			trans	-128.8	162.7	175.7	60.1	0	0	0	0	110.3	P736 C743 S752 I753	C729-P736 HydrophobicContact CB-CB 4.11Å; C729-P736 HydrophobicContact CB-CG 4.21Å; C729-C743 HydrophobicContact CB-CB 3.87Å; C729-C743 WeakPolarHBondContact CB-SG 3.47Å; C729-C743 WeakPolarHBondContact SG-CA 3.48Å; C729-C743 WeakPolarHBondContact SG-CB 3.03Å; C729-C743 CovalentContact SG-SG 2.03Å; C729-C743 PolarHBondContact SG-SG 3.42Å; C729-S752 PolarHBondContact N-O 3.04Å; C729-S752 WeakPolarHBondContact O-CB 3.34Å; C729-I753 VanDerWaalsContact SG-CA 3.58Å; C729-I753 PolarHBondContact SG-N 2.68Å; C729-I753 PolarHBondContact SG-O 3.16Å; C729-I753 VanDerWaalsContact SG-O 3.35Å
730	N	90.3	Very high	82.8	Confident	83 Å²	83	75.1 Å²	75.1	44%	0.444	47%	0.468	S	S	.	.			trans	-112.4	116.1	171.8	-177.4	-10.3	0	0	0	109	S732 V733	N730-S732 PolarHBondContact O-N 2.71Å; N730-S732 VanDerWaalsContact O-N 3.16Å; N730-S732 WeakPolarHBondContact OD1-CB 2.99Å; N730-S732 PolarHBondContact OD1-N 2.9Å; N730-S732 PolarHBondContact OD1-OG 2.9Å; N730-V733 HydrophobicContact CB-CG2 4Å; N730-V733 PolarHBondContact O-N 3.38Å; N730-V733 VanDerWaalsContact O-N 3.1Å
731	P	86	Confident	83.4	Confident	80 Å²	80	74.7 Å²	74.7	52%	0.519	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-13.7	-178.9	27.8	-35.2	0	0	0	113.8	V733	P731-V733 VanDerWaalsContact C-N 3.32Å
732	S	86.2	Confident	84.2	Confident	106 Å²	106	73.1 Å²	73.1	74%	0.741	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-9	173.6	-55.1	0	0	0	0	114.1	N730	N730-S732 PolarHBondContact O-N 2.71Å; N730-S732 VanDerWaalsContact O-N 3.16Å; N730-S732 WeakPolarHBondContact OD1-CB 2.99Å; N730-S732 PolarHBondContact OD1-N 2.9Å; N730-S732 PolarHBondContact OD1-OG 2.9Å
733	V	86.5	Confident	84.9	Confident	74 Å²	74	70.5 Å²	70.5	45%	0.448	43%	0.431	S	S	.	.	S	Bend	trans	-100.9	132.6	-179.2	177.8	0	0	0	0	109.5	N730 P731 P736	N730-V733 HydrophobicContact CB-CG2 4Å; N730-V733 PolarHBondContact O-N 3.38Å; N730-V733 VanDerWaalsContact O-N 3.1Å; P731-V733 VanDerWaalsContact C-N 3.32Å; V733-P736 HydrophobicContact CB-CB 4.25Å; V733-P736 HydrophobicContact CG1-CB 4.49Å; V733-P736 VanDerWaalsContact O-CD 3.26Å; V733-P736 WeakPolarHBondContact O-CD 3.38Å
734	P	83.3	Confident	85.6	Confident	114 Å²	114	68.7 Å²	68.7	74%	0.74	41%	0.413	S	S	*	.	S	Bend	trans	-61.8	135.3	173.4	-22.8	34	0	0	0	112.2
735	N	81.7	Confident	86.2	Confident	155 Å²	155	68.2 Å²	68.2	83%	0.829	42%	0.42	S	S	*	.	S	Bend	trans	47.7	55.5	179.4	-57.8	-24.6	0	0	0	114.8	C737	N735-C737 PolarHBondContact O-N 2.8Å; N735-C737 VanDerWaalsContact O-N 3.16Å
736	P	90.1	Very high	86.6	Confident	45 Å²	45	68 Å²	68	29%	0.292	42%	0.416	S	S	.	.			trans	-82.2	8.7	-173.3	39.5	-37.7	0	0	0	112.9	C729 V733 C743	C729-P736 HydrophobicContact CB-CB 4.11Å; C729-P736 HydrophobicContact CB-CG 4.21Å; V733-P736 HydrophobicContact CB-CB 4.25Å; V733-P736 HydrophobicContact CG1-CB 4.49Å; V733-P736 VanDerWaalsContact O-CD 3.26Å; V733-P736 WeakPolarHBondContact O-CD 3.38Å; P736-C743 HydrophobicContact CG-CB 3.71Å
737	C	89.9	Confident	86.5	Confident	19 Å²	19	72.5 Å²	72.5	13%	0.128	45%	0.447	C	S	.	.	S	Bend	trans	-136.1	150.2	-177.5	-68.3	0	0	0	0	110.1	N735 C754	N735-C737 PolarHBondContact O-N 2.8Å; N735-C737 VanDerWaalsContact O-N 3.16Å; C737-C754 WeakPolarHBondContact CA-SG 3.49Å; C737-C754 HydrophobicContact CB-CB 3.81Å; C737-C754 WeakPolarHBondContact CB-SG 3.21Å; C737-C754 WeakPolarHBondContact SG-CA 3.42Å; C737-C754 WeakPolarHBondContact SG-CB 3.44Å; C737-C754 CovalentContact SG-SG 2.04Å; C737-C754 PolarHBondContact SG-SG 3.38Å
738	P	87.9	Confident	86.1	Confident	60 Å²	60	70.6 Å²	70.6	39%	0.39	44%	0.438	S	S	.	.			trans	-59.7	161.9	175.4	-26.4	37.5	0	0	0	113.7	I718 M727 G740 Y741	I718-P738 HydrophobicContact CD1-CB 4.25Å; I718-P738 HydrophobicContact CD1-CG 3.62Å; M727-P738 HydrophobicContact SD-CG 4.41Å; P738-G740 PolarHBondContact O-N 2.94Å; P738-Y741 HydrophobicContact CB-CD2 4.48Å; P738-Y741 WeakPolarHBondContact O-CB 3.02Å; P738-Y741 PolarHBondContact O-N 3.12Å
739	A	82.5	Confident	85.8	Confident	99 Å²	99	63.9 Å²	63.9	82%	0.818	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	132.8	176.7	0	0	0	0	0	111.7	Y741	A739-Y741 VanDerWaalsContact C-N 3.35Å
740	G	79.9	Confident	85.3	Confident	34 Å²	34	65.9 Å²	65.9	35%	0.351	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	-8.8	-173.4	0	0	0	0	0	115.1	P738 S757 Q768	P738-G740 PolarHBondContact O-N 2.94Å; G740-S757 PolarHBondContact O-N 3.38Å; G740-Q768 PolarHBondContact O-NE2 2.04Å
741	Y	88	Confident	85.1	Confident	42 Å²	42	63.9 Å²	63.9	17%	0.165	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	147.8	178.1	-64.8	-100.7	0	0	0	111.5	I718 P738 A739 C755 G756	I718-Y741 HydrophobicContact CD1-CD1 3.99Å; I718-Y741 HydrophobicContact CD1-CD2 3.87Å; I718-Y741 HydrophobicContact CD1-CE1 4.09Å; I718-Y741 HydrophobicContact CD1-CE2 3.95Å; I718-Y741 HydrophobicContact CD1-CG 3.9Å; I718-Y741 HydrophobicContact CG1-CD1 3.71Å; I718-Y741 HydrophobicContact CG1-CD2 4.3Å; I718-Y741 HydrophobicContact CG1-CE1 3.45Å; I718-Y741 VanDerWaalsContact CG1-CE1 3.45Å; I718-Y741 HydrophobicContact CG1-CE2 4.07Å; I718-Y741 HydrophobicContact CG1-CG 4.15Å; P738-Y741 HydrophobicContact CB-CD2 4.48Å; P738-Y741 WeakPolarHBondContact O-CB 3.02Å; P738-Y741 PolarHBondContact O-N 3.12Å; A739-Y741 VanDerWaalsContact C-N 3.35Å; Y741-C755 CarbonylContact C-O 3.41Å; Y741-C755 WeakPolarHBondContact CA-O 3.02Å; Y741-G756 VanDerWaalsContact CD1-N 3.3Å; Y741-G756 VanDerWaalsContact CE1-C 3.47Å
742	S	88.4	Confident	85.2	Confident	73 Å²	73	61 Å²	61	51%	0.51	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.1	177.1	-67.9	0	0	0	0	110.3	R744 C755	S742-R744 PolarHBondContact O-N 3.2Å; S742-C755 PolarHBondContact N-O 3.06Å; S742-C755 PolarHBondContact O-N 3.03Å
743	C	91.8	Very high	85.4	Confident	35 Å²	35	56.1 Å²	56.1	24%	0.236	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	122	178.9	-171	0	0	0	0	110.4	C729 P736 I753	C729-C743 HydrophobicContact CB-CB 3.87Å; C729-C743 WeakPolarHBondContact CB-SG 3.47Å; C729-C743 WeakPolarHBondContact SG-CA 3.48Å; C729-C743 WeakPolarHBondContact SG-CB 3.03Å; C729-C743 CovalentContact SG-SG 2.03Å; C729-C743 PolarHBondContact SG-SG 3.42Å; P736-C743 HydrophobicContact CG-CB 3.71Å; C743-I753 WeakPolarHBondContact CA-O 3.31Å
744	R	90.9	Very high	85.7	Confident	61 Å²	61	52.6 Å²	52.6	23%	0.23	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.4	-179.7	-58.8	-171.2	-174.6	-134.8	1.7	110.2	A710 D712 E715 S742 S752 I753 C755	A710-R744 HydrophobicContact CB-CB 4.09Å; A710-R744 WeakPolarHBondContact O-CD 3.04Å; D712-R744 IonicContact OD1-CZ 3.64Å; D712-R744 IonicContact OD1-NH1 2.87Å; D712-R744 PolarHBondContact OD1-NH1 2.89Å; D712-R744 IonicContact OD1-NH2 2.72Å; D712-R744 IonicContact OD2-CZ 3.84Å; D712-R744 IonicContact OD2-NH1 3.3Å; D712-R744 PolarHBondContact OD2-NH1 3.35Å; D712-R744 IonicContact OD2-NH2 3.7Å; D712-R744 PolarHBondContact OD2-NH2 2.88Å; E715-R744 VanDerWaalsContact CD-NH2 3.26Å; E715-R744 IonicContact OE1-NH2 2.59Å; E715-R744 PolarHBondContact OE1-NH2 3.46Å; E715-R744 IonicContact OE2-CZ 3.65Å; E715-R744 IonicContact OE2-NE 3.5Å; E715-R744 PolarHBondContact OE2-NE 2.98Å; E715-R744 IonicContact OE2-NH2 3.93Å; E715-R744 PolarHBondContact OE2-NH2 3.28Å; S742-R744 PolarHBondContact O-N 3.2Å; R744-S752 CarbonylContact O-C 3.55Å; R744-S752 VanDerWaalsContact O-CA 3.23Å; R744-S752 WeakPolarHBondContact O-CA 3.35Å; R744-I753 PolarHBondContact N-O 3.46Å; R744-I753 PolarHBondContact O-N 3.49Å; R744-C755 HydrophobicContact CG-CB 3.99Å
745	S	86.1	Confident	86	Confident	86 Å²	86	47.2 Å²	47.2	60%	0.601	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	123.4	176.6	-61.8	0	0	0	0	110.8	S752	S745-S752 PolarHBondContact OG-OG 2.94Å
746	D	83.1	Confident	86.2	Confident	6 Å²	6	39.9 Å²	39.9	3%	0.032	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.5	178.2	175	38.2	0	0	0	111.9	S709 A710 L748 T749 G750 T751 I753	S709-D746 WeakPolarHBondContact CB-OD1 3.45Å; S709-D746 PolarHBondContact OG-OD1 3.04Å; S709-D746 PolarHBondContact OG-OD2 2.92Å; A710-D746 HydrophobicContact CB-CB 3.75Å; D746-L748 PolarHBondContact OD1-N 2.95Å; D746-T749 VanDerWaalsContact OD2-CB 3.23Å; D746-T749 WeakPolarHBondContact OD2-CB 3.46Å; D746-T749 VanDerWaalsContact OD2-CG2 3.24Å; D746-T749 WeakPolarHBondContact OD2-CG2 3.44Å; D746-T749 PolarHBondContact OD2-N 2.84Å; D746-T749 PolarHBondContact OD2-OG1 2.94Å; D746-G750 WeakPolarHBondContact O-CA 3.22Å; D746-G750 PolarHBondContact O-N 3.21Å; D746-T751 WeakPolarHBondContact CB-O 3.3Å; D746-T751 PolarHBondContact N-O 2.04Å; D746-T751 PolarHBondContact O-N 2.03Å; D746-I753 HydrophobicContact CB-CD1 4.15Å; D746-I753 HydrophobicContact CB-CG1 4.43Å
747	S	78.8	Confident	86.1	Confident	112 Å²	112	37.8 Å²	37.8	78%	0.783	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-24.6	178.2	56.4	0	0	0	0	113
748	L	78.3	Confident	85.8	Confident	27 Å²	27	39 Å²	39	14%	0.141	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-49	-179.3	-176.6	68.7	0	0	0	111.5	C655 F674 P676 D746	C655-L748 HydrophobicContact CB-CD2 3.65Å; F674-L748 HydrophobicContact CD1-CD2 3.99Å; F674-L748 HydrophobicContact CE1-CD1 4.27Å; F674-L748 HydrophobicContact CE1-CD2 3.58Å; F674-L748 HydrophobicContact CE1-CG 3.75Å; F674-L748 HydrophobicContact CZ-CD2 4.14Å; F674-L748 HydrophobicContact CZ-CG 4.35Å; P676-L748 HydrophobicContact CB-CD1 4.26Å; D746-L748 PolarHBondContact OD1-N 2.95Å
749	T	80.3	Confident	85.5	Confident	12 Å²	12	39 Å²	39	7%	0.074	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-19.6	175.8	61.5	0	0	0	0	113.2	F674 K679 D746 T751	F674-T749 HydrophobicContact CZ-CG2 4.05Å; K679-T749 VanDerWaalsContact CD-O 3.29Å; K679-T749 WeakPolarHBondContact CD-O 3.27Å; K679-T749 WeakPolarHBondContact CE-O 3.37Å; K679-T749 PolarHBondContact NZ-O 3.06Å; D746-T749 VanDerWaalsContact OD2-CB 3.23Å; D746-T749 WeakPolarHBondContact OD2-CB 3.46Å; D746-T749 VanDerWaalsContact OD2-CG2 3.24Å; D746-T749 WeakPolarHBondContact OD2-CG2 3.44Å; D746-T749 PolarHBondContact OD2-N 2.84Å; D746-T749 PolarHBondContact OD2-OG1 2.94Å; T749-T751 PolarHBondContact O-N 3.45Å; T749-T751 PolarHBondContact OG1-N 2.03Å; T749-T751 PolarHBondContact OG1-OG1 3.31Å
750	G	81.7	Confident	85.4	Confident	60 Å²	60	38.2 Å²	38.2	62%	0.619	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	28.1	-171.2	0	0	0	0	0	113	D746	D746-G750 WeakPolarHBondContact O-CA 3.22Å; D746-G750 PolarHBondContact O-N 3.21Å
751	T	85.6	Confident	85.6	Confident	42 Å²	42	39.1 Å²	39.1	26%	0.258	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	155.9	178.9	64.4	0	0	0	0	110.8	D746 T749	D746-T751 WeakPolarHBondContact CB-O 3.3Å; D746-T751 PolarHBondContact N-O 2.04Å; D746-T751 PolarHBondContact O-N 2.03Å; T749-T751 PolarHBondContact O-N 3.45Å; T749-T751 PolarHBondContact OG1-N 2.03Å; T749-T751 PolarHBondContact OG1-OG1 3.31Å
752	S	89.3	Confident	85.5	Confident	19 Å²	19	37.4 Å²	37.4	13%	0.133	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	137.7	173	-52.8	0	0	0	0	110.7	K728 C729 R744 S745	K728-S752 CarbonylContact C-O 3.49Å; K728-S752 VanDerWaalsContact CA-O 3.28Å; K728-S752 WeakPolarHBondContact CA-O 3.39Å; C729-S752 PolarHBondContact N-O 3.04Å; C729-S752 WeakPolarHBondContact O-CB 3.34Å; R744-S752 CarbonylContact O-C 3.55Å; R744-S752 VanDerWaalsContact O-CA 3.23Å; R744-S752 WeakPolarHBondContact O-CA 3.35Å; S745-S752 PolarHBondContact OG-OG 2.94Å
753	I	89.8	Confident	85.4	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	155.2	-169.3	52.3	169.7	0	0	0	111.9	S707 A710 I717 A726 M727 C729 C743 R744 D746 C755	S707-I753 WeakPolarHBondContact O-CD1 3.48Å; A710-I753 HydrophobicContact CB-CD1 4.22Å; I717-I753 HydrophobicContact CG2-CD1 3.93Å; A726-I753 HydrophobicContact CB-CB 4.48Å; A726-I753 HydrophobicContact CB-CG2 3.79Å; M727-I753 WeakPolarHBondContact O-CA 3.01Å; C729-I753 VanDerWaalsContact SG-CA 3.58Å; C729-I753 PolarHBondContact SG-N 2.68Å; C729-I753 PolarHBondContact SG-O 3.16Å; C729-I753 VanDerWaalsContact SG-O 3.35Å; C743-I753 WeakPolarHBondContact CA-O 3.31Å; R744-I753 PolarHBondContact N-O 3.46Å; R744-I753 PolarHBondContact O-N 3.49Å; D746-I753 HydrophobicContact CB-CD1 4.15Å; D746-I753 HydrophobicContact CB-CG1 4.43Å; I753-C755 PolarHBondContact O-N 3.28Å
754	C	91.5	Very high	85	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.007	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	110.6	176.5	-65.7	0	0	0	0	111.9	M727 C737	M727-C754 PolarHBondContact O-N 2.94Å; M727-C754 VanDerWaalsContact O-N 3.12Å; C737-C754 WeakPolarHBondContact CA-SG 3.49Å; C737-C754 HydrophobicContact CB-CB 3.81Å; C737-C754 WeakPolarHBondContact CB-SG 3.21Å; C737-C754 WeakPolarHBondContact SG-CA 3.42Å; C737-C754 WeakPolarHBondContact SG-CB 3.44Å; C737-C754 CovalentContact SG-SG 2.04Å; C737-C754 PolarHBondContact SG-SG 3.38Å
755	C	89.6	Confident	84.4	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.007	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	134.6	178.6	-73.1	0	0	0	0	111.7	C711 G716 Y741 S742 R744 I753	C711-C755 WeakPolarHBondContact CA-SG 3.44Å; C711-C755 HydrophobicContact CB-CB 3.54Å; C711-C755 WeakPolarHBondContact CB-SG 3.44Å; C711-C755 PolarHBondContact N-SG 2.89Å; C711-C755 VanDerWaalsContact SG-CA 3.6Å; C711-C755 WeakPolarHBondContact SG-CB 3.21Å; C711-C755 CovalentContact SG-SG 2.04Å; C711-C755 PolarHBondContact SG-SG 2.88Å; G716-C755 WeakPolarHBondContact O-CA 3.43Å; Y741-C755 CarbonylContact C-O 3.41Å; Y741-C755 WeakPolarHBondContact CA-O 3.02Å; S742-C755 PolarHBondContact N-O 3.06Å; S742-C755 PolarHBondContact O-N 3.03Å; R744-C755 HydrophobicContact CG-CB 3.99Å; I753-C755 PolarHBondContact O-N 3.28Å
756	G	87.6	Confident	83.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.6	-158	179.1	0	0	0	0	0	113.8	G716 Y741	G716-G756 PolarHBondContact N-O 2.84Å; G716-G756 PolarHBondContact O-N 2.86Å; G716-G756 VanDerWaalsContact O-O 3.07Å; Y741-G756 VanDerWaalsContact CD1-N 3.3Å; Y741-G756 VanDerWaalsContact CE1-C 3.47Å
757	S	86.4	Confident	83.9	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.007	27%	0.271	C	S	.	.			trans	-160.8	158.3	167	57	0	0	0	0	109.9	G740 Q768 A769	G740-S757 PolarHBondContact O-N 3.38Å; S757-Q768 PolarHBondContact O-NE2 3.16Å; S757-A769 WeakPolarHBondContact CB-O 3.02Å; S757-A769 PolarHBondContact OG-O 2.85Å
758	S	84.2	Confident	84.3	Confident	45 Å²	45	38.7 Å²	38.7	32%	0.315	24%	0.241	S	C	.	.			trans	-90.3	-174.8	167.1	63	0	0	0	0	110.6	M760 A769	S758-M760 PolarHBondContact O-N 3.31Å; S758-M760 PolarHBondContact OG-N 2.94Å; S758-M760 PolarHBondContact OG-SD 2.97Å; S758-A769 PolarHBondContact O-N 2.66Å
759	D	82.4	Confident	84.8	Confident	59 Å²	59	37.4 Å²	37.4	32%	0.316	24%	0.235	S	C	.	.			trans	-63.9	-15.3	169.4	55.6	50.7	0	0	0	113.9	G761 V762 C763 E767	D759-G761 PolarHBondContact O-N 2.81Å; D759-G761 PolarHBondContact OD1-N 3.19Å; D759-V762 WeakPolarHBondContact O-CG2 3.29Å; D759-V762 PolarHBondContact O-N 3.36Å; D759-C763 HydrophobicContact CB-CB 4.08Å; D759-C763 PolarHBondContact O-N 3.24Å; D759-E767 WeakPolarHBondContact CA-O 3.32Å
760	M	80.3	Confident	85.1	Confident	83 Å²	83	37 Å²	37	41%	0.409	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	25.6	-175.1	-60	-66.6	-72.2	0	0	114.4	S758 V762 A769 I778	S758-M760 PolarHBondContact O-N 3.31Å; S758-M760 PolarHBondContact OG-N 2.94Å; S758-M760 PolarHBondContact OG-SD 2.97Å; M760-V762 PolarHBondContact O-N 3.2Å; M760-A769 HydrophobicContact CB-CB 3.87Å; M760-A769 HydrophobicContact CG-CB 3.79Å; M760-I778 HydrophobicContact CB-CD1 3.64Å; M760-I778 HydrophobicContact CB-CG1 4.22Å; M760-I778 HydrophobicContact CG-CD1 4.47Å
761	G	83	Confident	85	Confident	54 Å²	54	35 Å²	35	56%	0.557	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	20.2	-173.4	0	0	0	0	0	114.3	D759	D759-G761 PolarHBondContact O-N 2.81Å; D759-G761 PolarHBondContact OD1-N 3.19Å
762	V	87.2	Confident	84.4	Confident	5 Å²	5	34.7 Å²	34.7	3%	0.03	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-24	177.1	-56.7	0	0	0	0	115.2	D759 M760 A769 I778 N798 F805	D759-V762 WeakPolarHBondContact O-CG2 3.29Å; D759-V762 PolarHBondContact O-N 3.36Å; M760-V762 PolarHBondContact O-N 3.2Å; V762-A769 HydrophobicContact CG2-CB 4.01Å; V762-I778 HydrophobicContact CG1-CD1 3.86Å; V762-I778 HydrophobicContact CG2-CD1 4.06Å; V762-I778 HydrophobicContact CG2-CG2 3.68Å; V762-N798 WeakPolarHBondContact CA-ND2 3.49Å; V762-F805 HydrophobicContact CB-CB 4.25Å; V762-F805 HydrophobicContact CB-CD1 4.29Å; V762-F805 HydrophobicContact CB-CD2 3.79Å; V762-F805 HydrophobicContact CB-CE2 4.2Å; V762-F805 HydrophobicContact CB-CG 3.84Å; V762-F805 HydrophobicContact CG1-CD1 4.33Å; V762-F805 HydrophobicContact CG1-CD2 4.21Å; V762-F805 HydrophobicContact CG1-CE1 4.23Å; V762-F805 HydrophobicContact CG1-CE2 4.13Å; V762-F805 HydrophobicContact CG1-CG 4.31Å; V762-F805 HydrophobicContact CG1-CZ 4.14Å; V762-F805 HydrophobicContact CG2-CB 3.98Å; V762-F805 HydrophobicContact CG2-CD1 4.26Å; V762-F805 HydrophobicContact CG2-CD2 4.41Å; V762-F805 HydrophobicContact CG2-CG 3.96Å
763	C	86.4	Confident	83.2	Confident	12 Å²	12	33.8 Å²	33.8	8%	0.081	20%	0.197	C	C	.	.	S	Bend	trans	-97.2	157.9	177.4	-66	0	0	0	0	111.5	D759 E767 A769 C807	D759-C763 HydrophobicContact CB-CB 4.08Å; D759-C763 PolarHBondContact O-N 3.24Å; C763-E767 HydrophobicContact CB-CB 4.03Å; C763-A769 WeakPolarHBondContact SG-CA 3.15Å; C763-C807 WeakPolarHBondContact CA-SG 3.03Å; C763-C807 HydrophobicContact CB-CB 3.75Å; C763-C807 WeakPolarHBondContact CB-SG 3Å; C763-C807 VanDerWaalsContact SG-CA 3.59Å; C763-C807 WeakPolarHBondContact SG-CB 3.21Å; C763-C807 CovalentContact SG-SG 2.03Å; C763-C807 PolarHBondContact SG-SG 2.91Å
764	P	83.5	Confident	81.8	Confident	53 Å²	53	38.3 Å²	38.3	34%	0.344	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-56.9	152.4	168.6	-23.2	33.7	0	0	0	112.1	N766 E767 R796	P764-N766 PolarHBondContact O-N 2.87Å; P764-E767 HydrophobicContact CB-CG 4.27Å; P764-E767 HydrophobicContact CG-CG 4.5Å; P764-E767 WeakPolarHBondContact O-CB 3.49Å; P764-E767 PolarHBondContact O-N 2.04Å; P764-R796 HydrophobicContact CG-CG 4.44Å
765	N	77.1	Confident	80.6	Confident	135 Å²	135	42 Å²	42	72%	0.722	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	132.5	176.1	-62.1	-5.3	0	0	0	111.2	E767	N765-E767 VanDerWaalsContact C-N 3.27Å; N765-E767 PolarHBondContact O-N 2.89Å
766	N	74.2	Confident	79.5	Confident	150 Å²	150	44.7 Å²	44.7	80%	0.802	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	5.6	-173.4	-45.7	-63.1	0	0	0	116.3	P764	P764-N766 PolarHBondContact O-N 2.87Å
767	E	85.1	Confident	78.8	Confident	16 Å²	16	51.2 Å²	51.2	8%	0.075	29%	0.287	C	S	.	.			trans	-98.9	156.8	163.2	-62.3	-172.6	-166.5	0	0	110.6	D759 C763 P764 N765 R796 C807 R808 V809	D759-E767 WeakPolarHBondContact CA-O 3.32Å; C763-E767 HydrophobicContact CB-CB 4.03Å; P764-E767 HydrophobicContact CB-CG 4.27Å; P764-E767 HydrophobicContact CG-CG 4.5Å; P764-E767 WeakPolarHBondContact O-CB 3.49Å; P764-E767 PolarHBondContact O-N 2.04Å; N765-E767 VanDerWaalsContact C-N 3.27Å; N765-E767 PolarHBondContact O-N 2.89Å; E767-R796 IonicContact OE1-CZ 3.67Å; E767-R796 IonicContact OE1-NE 2.65Å; E767-R796 PolarHBondContact OE1-NE 3.42Å; E767-R796 IonicContact OE1-NH2 2.83Å; E767-R796 PolarHBondContact OE1-NH2 2.9Å; E767-R796 WeakPolarHBondContact OE2-CG 3.37Å; E767-R796 IonicContact OE2-CZ 2.68Å; E767-R796 IonicContact OE2-NE 2.66Å; E767-R796 PolarHBondContact OE2-NE 3.15Å; E767-R796 IonicContact OE2-NH2 2.66Å; E767-C807 HydrophobicContact CB-CB 4.18Å; E767-C807 WeakPolarHBondContact OE2-CB 3.35Å; E767-R808 WeakPolarHBondContact CA-O 3.19Å; E767-V809 HydrophobicContact CG-CG2 4.49Å
768	Q	86.4	Confident	78.6	Confident	34 Å²	34	52.9 Å²	52.9	16%	0.159	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.4	-171.3	-60	-177	-61.1	0	0	111.2	G740 S757 C807 R808	G740-Q768 PolarHBondContact O-NE2 2.04Å; S757-Q768 PolarHBondContact O-NE2 3.16Å; Q768-C807 CarbonylContact O-C 3.6Å; Q768-C807 WeakPolarHBondContact O-CA 3.18Å; Q768-R808 HydrophobicContact CB-CB 4.33Å; Q768-R808 PolarHBondContact N-O 3.38Å; Q768-R808 PolarHBondContact O-N 2.95Å; Q768-R808 VanDerWaalsContact OE1-CZ 3.27Å
769	A	88.8	Confident	78.4	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	137.8	180	0	0	0	0	0	111.4	S757 S758 M760 V762 C763 I771 I778	S757-A769 WeakPolarHBondContact CB-O 3.02Å; S757-A769 PolarHBondContact OG-O 2.85Å; S758-A769 PolarHBondContact O-N 2.66Å; M760-A769 HydrophobicContact CB-CB 3.87Å; M760-A769 HydrophobicContact CG-CB 3.79Å; V762-A769 HydrophobicContact CG2-CB 4.01Å; C763-A769 WeakPolarHBondContact SG-CA 3.15Å; A769-I771 PolarHBondContact O-N 3.26Å; A769-I778 HydrophobicContact CB-CG2 3.94Å
770	Y	86.3	Confident	78.4	Confident	5 Å²	5	55.6 Å²	55.6	2%	0.02	30%	0.297	C	S	.	.			trans	-69.4	115.7	167.5	-175.8	-84.6	0	0	0	109.2	D772 I778 R779 P790 F793 C806	Y770-D772 HydrophobicContact CE1-CB 4.2Å; Y770-I778 WeakPolarHBondContact O-CA 3.47Å; Y770-R779 HydrophobicContact CD1-CB 3.29Å; Y770-R779 HydrophobicContact CD1-CG 4.19Å; Y770-R779 HydrophobicContact CE1-CB 3.96Å; Y770-R779 HydrophobicContact CG-CB 4.06Å; Y770-R779 PolarHBondContact O-N 2.65Å; Y770-P790 HydrophobicContact CD2-CG 3.45Å; Y770-P790 VanDerWaalsContact CD2-CG 3.45Å; Y770-P790 HydrophobicContact CE1-CG 4.48Å; Y770-P790 HydrophobicContact CE2-CB 4.22Å; Y770-P790 HydrophobicContact CE2-CG 3.13Å; Y770-P790 HydrophobicContact CG-CG 4.3Å; Y770-F793 VanDerWaalsContact CA-CE1 3.5Å; Y770-F793 HydrophobicContact CD2-CD1 4.11Å; Y770-F793 AromaticContact CD2-CD2 3.93Å; Y770-F793 HydrophobicContact CD2-CD2 3.93Å; Y770-F793 AromaticContact CD2-CE1 3.9Å; Y770-F793 HydrophobicContact CD2-CE1 3.9Å; Y770-F793 AromaticContact CD2-CE2 3.71Å; Y770-F793 HydrophobicContact CD2-CE2 3.71Å; Y770-F793 HydrophobicContact CD2-CG 4.15Å; Y770-F793 AromaticContact CD2-CZ 3.7Å; Y770-F793 HydrophobicContact CD2-CZ 3.7Å; Y770-F793 HydrophobicContact CE2-CE2 4.36Å; Y770-F793 HydrophobicContact CG-CD1 4.37Å; Y770-F793 HydrophobicContact CG-CE1 4.24Å; Y770-F793 HydrophobicContact CG-CZ 4.44Å; Y770-C806 WeakPolarHBondContact CB-O 3.46Å; Y770-C806 HydrophobicContact CG-CB 4.5Å; Y770-C806 PolarHBondContact N-O 3.35Å
771	I	81.6	Confident	78.4	Confident	18 Å²	18	52.5 Å²	52.5	9%	0.092	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-92.6	119.6	170.6	-56.8	178.6	0	0	0	107.7	G714 A769 P773	G714-I771 WeakPolarHBondContact CA-O 3.47Å; G714-I771 PolarHBondContact O-N 3.02Å; A769-I771 PolarHBondContact O-N 3.26Å; I771-P773 WeakPolarHBondContact O-CD 3.38Å
772	D	71	Confident	77.9	Confident	34 Å²	34	56.9 Å²	56.9	18%	0.182	29%	0.29	C	S	.	.			trans	-66	123.3	175.3	-177.7	-94.8	0	0	0	110.6	Y770 L774 T775 Q776 Q777	Y770-D772 HydrophobicContact CE1-CB 4.2Å; D772-L774 VanDerWaalsContact C-N 3.28Å; D772-L774 PolarHBondContact O-N 3.04Å; D772-L774 PolarHBondContact OD1-N 3.34Å; D772-T775 VanDerWaalsContact CB-OG1 3.28Å; D772-T775 WeakPolarHBondContact CB-OG1 3.29Å; D772-T775 VanDerWaalsContact CG-OG1 3.25Å; D772-T775 WeakPolarHBondContact OD1-CB 3.44Å; D772-T775 PolarHBondContact OD1-N 2.93Å; D772-T775 PolarHBondContact OD1-OG1 3.31Å; D772-Q776 WeakPolarHBondContact O-CA 3.33Å; D772-Q776 PolarHBondContact O-N 3.29Å; D772-Q777 WeakPolarHBondContact CB-O 3.37Å; D772-Q777 PolarHBondContact N-O 2.8Å
773	P	64.4	Low	77	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.006	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-38.7	-172.9	-27.2	35.2	0	0	0	114	Y609 F705 I771 Q776	Y609-P773 HydrophobicContact CD1-CB 3.54Å; Y609-P773 HydrophobicContact CD1-CG 3.57Å; Y609-P773 HydrophobicContact CE1-CB 3.9Å; Y609-P773 HydrophobicContact CE1-CG 3.49Å; Y609-P773 VanDerWaalsContact CE1-CG 3.49Å; F705-P773 HydrophobicContact CD2-CB 4.4Å; F705-P773 HydrophobicContact CE2-CB 4.41Å; I771-P773 WeakPolarHBondContact O-CD 3.38Å; P773-Q776 PolarHBondContact O-NE2 2.93Å
774	L	60.5	Low	75.7	Confident	97 Å²	97	61.4 Å²	61.4	51%	0.508	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-44.1	-168.1	-156.6	87.5	0	0	0	111.7	Y609 F705 D772	Y609-L774 WeakPolarHBondContact O-CD1 3.36Å; F705-L774 HydrophobicContact CD2-CD1 4.4Å; F705-L774 HydrophobicContact CE2-CD1 3.98Å; D772-L774 VanDerWaalsContact C-N 3.28Å; D772-L774 PolarHBondContact O-N 3.04Å; D772-L774 PolarHBondContact OD1-N 3.34Å
775	T	66.6	Low	74.5	Confident	78 Å²	78	61.1 Å²	61.1	48%	0.479	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-15.8	-177.7	62.6	0	0	0	0	113.2	D772 Q777	D772-T775 VanDerWaalsContact CB-OG1 3.28Å; D772-T775 WeakPolarHBondContact CB-OG1 3.29Å; D772-T775 VanDerWaalsContact CG-OG1 3.25Å; D772-T775 WeakPolarHBondContact OD1-CB 3.44Å; D772-T775 PolarHBondContact OD1-N 2.93Å; D772-T775 PolarHBondContact OD1-OG1 3.31Å; T775-Q777 PolarHBondContact O-N 2.98Å; T775-Q777 VanDerWaalsContact O-N 3.14Å; T775-Q777 PolarHBondContact OG1-N 3.41Å
776	Q	66.4	Low	73.4	Confident	59 Å²	59	59.7 Å²	59.7	28%	0.276	33%	0.327	S	S	.	.			trans	58.5	16.1	-171.9	-59.2	-73.3	-61	0	0	113.5	N704 D772 P773	N704-Q776 HydrophobicContact CB-CG 4.33Å; N704-Q776 PolarHBondContact ND2-OE1 2.87Å; D772-Q776 WeakPolarHBondContact O-CA 3.33Å; D772-Q776 PolarHBondContact O-N 3.29Å; P773-Q776 PolarHBondContact O-NE2 2.93Å
777	Q	72.7	Confident	72.7	Confident	137 Å²	137	54.8 Å²	54.8	64%	0.64	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-92.1	155.8	178.3	-64.1	-172.2	2.9	0	0	111.2	D772 T775 R779	D772-Q777 WeakPolarHBondContact CB-O 3.37Å; D772-Q777 PolarHBondContact N-O 2.8Å; T775-Q777 PolarHBondContact O-N 2.98Å; T775-Q777 VanDerWaalsContact O-N 3.14Å; T775-Q777 PolarHBondContact OG1-N 3.41Å; Q777-R779 PolarHBondContact O-N 3.49Å
778	I	81.7	Confident	71.9	Confident	36 Å²	36	55 Å²	55	19%	0.185	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-74.2	125.4	174.2	-50.7	164.9	0	0	0	108.3	M760 V762 A769 Y770 E780 F805	M760-I778 HydrophobicContact CB-CD1 3.64Å; M760-I778 HydrophobicContact CB-CG1 4.22Å; M760-I778 HydrophobicContact CG-CD1 4.47Å; V762-I778 HydrophobicContact CG1-CD1 3.86Å; V762-I778 HydrophobicContact CG2-CD1 4.06Å; V762-I778 HydrophobicContact CG2-CG2 3.68Å; A769-I778 HydrophobicContact CB-CG2 3.94Å; Y770-I778 WeakPolarHBondContact O-CA 3.47Å; I778-E780 PolarHBondContact O-N 3.41Å; I778-F805 HydrophobicContact CB-CD1 4.42Å; I778-F805 HydrophobicContact CG2-CD1 3.89Å
779	R	80.9	Confident	71.2	Confident	80 Å²	80	53.9 Å²	53.9	30%	0.302	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-72.2	116.8	-177.5	178.9	171.6	173.1	155.9	-1.9	111.4	Y770 Q777 S788 C806	Y770-R779 HydrophobicContact CD1-CB 3.29Å; Y770-R779 HydrophobicContact CD1-CG 4.19Å; Y770-R779 HydrophobicContact CE1-CB 3.96Å; Y770-R779 HydrophobicContact CG-CB 4.06Å; Y770-R779 PolarHBondContact O-N 2.65Å; Q777-R779 PolarHBondContact O-N 3.49Å; R779-S788 PolarHBondContact NE-O 2.73Å; R779-S788 PolarHBondContact NH2-O 3.26Å; R779-C806 HydrophobicContact CB-CB 4.44Å; R779-C806 HydrophobicContact CG-CB 4.49Å; R779-C806 PolarHBondContact O-N 3.36Å
780	E	83.3	Confident	70.3	Confident	80 Å²	80	55.3 Å²	55.3	37%	0.374	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	159.3	166.1	-73.3	-177.3	-149	0	0	112.1	I778 R803 Y804 F805	I778-E780 PolarHBondContact O-N 3.41Å; E780-R803 IonicContact OE1-CZ 3.24Å; E780-R803 IonicContact OE1-NE 2.99Å; E780-R803 PolarHBondContact OE1-NE 3.04Å; E780-R803 IonicContact OE1-NH1 2.8Å; E780-R803 IonicContact OE1-NH2 2.74Å; E780-R803 PolarHBondContact OE1-NH2 3.26Å; E780-R803 IonicContact OE2-CZ 2.6Å; E780-R803 IonicContact OE2-NE 3.63Å; E780-R803 PolarHBondContact OE2-NE 2.74Å; E780-R803 IonicContact OE2-NH2 3.79Å; E780-R803 PolarHBondContact OE2-NH2 3.11Å; E780-Y804 VanDerWaalsContact CA-O 3.3Å; E780-Y804 WeakPolarHBondContact CA-O 3.33Å; E780-F805 HydrophobicContact CG-CD1 3.62Å; E780-F805 HydrophobicContact CG-CE1 3.34Å; E780-F805 HydrophobicContact CG-CZ 4.08Å
781	C	79	Confident	69.3	Low	19 Å²	19	56.1 Å²	56.1	13%	0.128	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	165.9	-179.2	62.2	0	0	0	0	111.1	S788 C789 C795 Y804 F805	C781-S788 WeakPolarHBondContact CB-OG 3.11Å; C781-C789 VanDerWaalsContact CB-SG 3.55Å; C781-C795 HydrophobicContact CB-CB 3.87Å; C781-C795 WeakPolarHBondContact CB-SG 3.3Å; C781-C795 WeakPolarHBondContact SG-CA 3.04Å; C781-C795 WeakPolarHBondContact SG-CB 3.46Å; C781-C795 CovalentContact SG-SG 2.03Å; C781-C795 PolarHBondContact SG-SG 2.91Å; C781-Y804 PolarHBondContact N-O 3.12Å; C781-Y804 WeakPolarHBondContact O-CB 3.49Å; C781-Y804 VanDerWaalsContact SG-CB 3.59Å; C781-F805 PolarHBondContact SG-N 2.87Å; C781-F805 VanDerWaalsContact SG-N 3.4Å
782	Q	74	Confident	68.8	Low	145 Å²	145	57.1 Å²	57.1	68%	0.678	33%	0.326	S	S	*	.			trans	-117.2	126.2	170.7	-171.7	166.6	-9.5	0	0	109.6	G784 A785 S788	Q782-G784 PolarHBondContact O-N 3.24Å; Q782-A785 PolarHBondContact O-N 3.3Å; Q782-S788 PolarHBondContact N-OG 3.01Å; Q782-S788 WeakPolarHBondContact O-CB 3.49Å; Q782-S788 PolarHBondContact O-OG 3.27Å
783	P	68.3	Low	69.1	Low	59 Å²	59	55.7 Å²	55.7	38%	0.383	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	138.1	-177.2	-28	35.3	0	0	0	113.1	A785 Y804 E855	P783-A785 PolarHBondContact O-N 3.16Å; P783-Y804 HydrophobicContact CG-CD1 3.38Å; P783-Y804 HydrophobicContact CG-CD2 3.85Å; P783-Y804 HydrophobicContact CG-CE1 3.31Å; P783-Y804 HydrophobicContact CG-CE2 3.8Å; P783-Y804 HydrophobicContact CG-CG 3.68Å; P783-E855 WeakPolarHBondContact CA-OE1 3.31Å
784	G	57.7	Low	69.9	Low	54 Å²	54	55.8 Å²	55.8	56%	0.557	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	3.9	176.8	0	0	0	0	0	116.2	Q782 E855	Q782-G784 PolarHBondContact O-N 3.24Å; G784-E855 PolarHBondContact N-OE1 3.12Å
785	A	59.7	Low	70.9	Confident	47 Å²	47	51.4 Å²	51.4	39%	0.388	30%	0.296	S	S	.	.			trans	-72.1	133.3	169.9	0	0	0	0	0	110.6	Q782 P783 V787 S788	Q782-A785 PolarHBondContact O-N 3.3Å; P783-A785 PolarHBondContact O-N 3.16Å; A785-V787 PolarHBondContact O-N 3.44Å; A785-S788 PolarHBondContact O-N 2.82Å
786	V	52.9	Low	71.7	Confident	105 Å²	105	48 Å²	48	64%	0.636	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-33.6	-167	-175.2	0	0	0	0	113.9
787	V	60.4	Low	72.6	Confident	47 Å²	47	47.6 Å²	47.6	29%	0.285	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.9	55.5	173.2	-165.3	0	0	0	0	110.3	A638 A785	A638-V787 HydrophobicContact CB-CB 3.66Å; A638-V787 HydrophobicContact CB-CG1 4.09Å; A638-V787 HydrophobicContact CB-CG2 3.72Å; A785-V787 PolarHBondContact O-N 3.44Å
788	S	66.6	Low	73.2	Confident	19 Å²	19	41.5 Å²	41.5	13%	0.133	25%	0.249	C	C	.	.	S	Bend	trans	-62.9	-47.1	178.7	-139	0	0	0	0	112.3	R779 C781 Q782 A785	R779-S788 PolarHBondContact NE-O 2.73Å; R779-S788 PolarHBondContact NH2-O 3.26Å; C781-S788 WeakPolarHBondContact CB-OG 3.11Å; Q782-S788 PolarHBondContact N-OG 3.01Å; Q782-S788 WeakPolarHBondContact O-CB 3.49Å; Q782-S788 PolarHBondContact O-OG 3.27Å; A785-S788 PolarHBondContact O-N 2.82Å
789	C	72.5	Confident	73.1	Confident	12 Å²	12	45.4 Å²	45.4	8%	0.081	28%	0.277	C	S	.	.	S	Bend	trans	-115.4	148	177.2	-65.2	0	0	0	0	110.8	C781 F793 C806	C781-C789 VanDerWaalsContact CB-SG 3.55Å; C789-F793 HydrophobicContact CB-CB 4.03Å; C789-F793 WeakPolarHBondContact CB-O 3.36Å; C789-C806 WeakPolarHBondContact CA-SG 3.08Å; C789-C806 HydrophobicContact CB-CB 3.81Å; C789-C806 WeakPolarHBondContact CB-SG 3.38Å; C789-C806 WeakPolarHBondContact SG-CA 3.4Å; C789-C806 WeakPolarHBondContact SG-CB 3.48Å; C789-C806 CovalentContact SG-SG 2.04Å; C789-C806 PolarHBondContact SG-SG 2.83Å
790	P	70	Confident	73	Confident	30 Å²	30	48 Å²	48	20%	0.195	30%	0.301	C	S	.	.			trans	-69.1	151.6	169	28.9	-27.5	0	0	0	109.6	Y770 F793	Y770-P790 HydrophobicContact CD2-CG 3.45Å; Y770-P790 VanDerWaalsContact CD2-CG 3.45Å; Y770-P790 HydrophobicContact CE1-CG 4.48Å; Y770-P790 HydrophobicContact CE2-CB 4.22Å; Y770-P790 HydrophobicContact CE2-CG 3.13Å; Y770-P790 HydrophobicContact CG-CG 4.3Å; P790-F793 HydrophobicContact CG-CD2 4.44Å; P790-F793 WeakPolarHBondContact O-CB 3.44Å; P790-F793 PolarHBondContact O-N 2.88Å
791	G	64.5	Low	73	Confident	22 Å²	22	50.4 Å²	50.4	23%	0.227	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	153.3	-167.2	0	0	0	0	0	114.9
792	N	71.3	Confident	73.1	Confident	38 Å²	38	56.5 Å²	56.5	20%	0.203	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	-4.1	-160.1	-48.3	-75.3	0	0	0	115.7	R808 P830 Y857	N792-R808 WeakPolarHBondContact O-CA 3.42Å; N792-P830 WeakPolarHBondContact OD1-CD 3.5Å; N792-Y857 PolarHBondContact O-OH 2.88Å
793	F	79	Confident	73.6	Confident	5 Å²	5	56.1 Å²	56.1	2%	0.022	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	137.6	171.1	-60.9	-106.3	0	0	0	110.5	Y770 C789 P790 C806 C807 R808 N832	Y770-F793 VanDerWaalsContact CA-CE1 3.5Å; Y770-F793 HydrophobicContact CD2-CD1 4.11Å; Y770-F793 AromaticContact CD2-CD2 3.93Å; Y770-F793 HydrophobicContact CD2-CD2 3.93Å; Y770-F793 AromaticContact CD2-CE1 3.9Å; Y770-F793 HydrophobicContact CD2-CE1 3.9Å; Y770-F793 AromaticContact CD2-CE2 3.71Å; Y770-F793 HydrophobicContact CD2-CE2 3.71Å; Y770-F793 HydrophobicContact CD2-CG 4.15Å; Y770-F793 AromaticContact CD2-CZ 3.7Å; Y770-F793 HydrophobicContact CD2-CZ 3.7Å; Y770-F793 HydrophobicContact CE2-CE2 4.36Å; Y770-F793 HydrophobicContact CG-CD1 4.37Å; Y770-F793 HydrophobicContact CG-CE1 4.24Å; Y770-F793 HydrophobicContact CG-CZ 4.44Å; C789-F793 HydrophobicContact CB-CB 4.03Å; C789-F793 WeakPolarHBondContact CB-O 3.36Å; P790-F793 HydrophobicContact CG-CD2 4.44Å; P790-F793 WeakPolarHBondContact O-CB 3.44Å; P790-F793 PolarHBondContact O-N 2.88Å; F793-C806 HydrophobicContact CB-CB 4.07Å; F793-C806 HydrophobicContact CD1-CB 4.5Å; F793-C807 CarbonylContact C-O 3.35Å; F793-C807 WeakPolarHBondContact CA-O 3.31Å; F793-R808 HydrophobicContact CD1-CB 3.58Å; F793-R808 HydrophobicContact CD2-CB 4.42Å; F793-R808 HydrophobicContact CE1-CB 3.45Å; F793-R808 VanDerWaalsContact CE1-CB 3.45Å; F793-R808 HydrophobicContact CE2-CB 4.32Å; F793-R808 HydrophobicContact CG-CB 4.07Å; F793-R808 HydrophobicContact CZ-CB 3.85Å; F793-N832 PolarHBondContact O-ND2 3.48Å
794	L	79.8	Confident	74.4	Confident	2 Å²	2	58 Å²	58	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	154	173	-66.3	-178.6	0	0	0	110.5	R796 C806 C807 V809 N832 Y857	L794-R796 PolarHBondContact O-N 3.02Å; L794-C806 WeakPolarHBondContact O-CA 3.5Å; L794-C807 PolarHBondContact N-O 3.02Å; L794-C807 PolarHBondContact O-N 2.95Å; L794-V809 HydrophobicContact CD1-CG2 3.9Å; L794-V809 HydrophobicContact CG-CG2 4.38Å; L794-N832 HydrophobicContact CD2-CB 4.04Å; L794-N832 VanDerWaalsContact CD2-CG 3.44Å; L794-N832 WeakPolarHBondContact CD2-OD1 3.04Å; L794-Y857 HydrophobicContact CD1-CD2 4.17Å; L794-Y857 HydrophobicContact CD1-CE2 3.61Å; L794-Y857 HydrophobicContact CD2-CE1 4.05Å; L794-Y857 HydrophobicContact CD2-CE2 4.23Å; L794-Y857 HydrophobicContact CG-CE1 4.44Å; L794-Y857 HydrophobicContact CG-CE2 3.93Å
795	C	81.3	Confident	75.9	Confident	6 Å²	6	55.7 Å²	55.7	4%	0.041	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	103.8	173.9	-169.1	0	0	0	0	109.9	C781 Y804 E855	C781-C795 HydrophobicContact CB-CB 3.87Å; C781-C795 WeakPolarHBondContact CB-SG 3.3Å; C781-C795 WeakPolarHBondContact SG-CA 3.04Å; C781-C795 WeakPolarHBondContact SG-CB 3.46Å; C781-C795 CovalentContact SG-SG 2.03Å; C781-C795 PolarHBondContact SG-SG 2.91Å; C795-Y804 WeakPolarHBondContact SG-CB 3.26Å; C795-E855 WeakPolarHBondContact CB-OE2 3.28Å; C795-E855 PolarHBondContact N-OE2 3.22Å
796	R	84.7	Confident	77.2	Confident	6 Å²	6	53.4 Å²	53.4	2%	0.023	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	135.7	-178.1	-63.7	-55.8	-157.9	-170.3	15.3	111.6	P764 E767 L794 Y804 F805 C807 S851 E855	P764-R796 HydrophobicContact CG-CG 4.44Å; E767-R796 IonicContact OE1-CZ 3.67Å; E767-R796 IonicContact OE1-NE 2.65Å; E767-R796 PolarHBondContact OE1-NE 3.42Å; E767-R796 IonicContact OE1-NH2 2.83Å; E767-R796 PolarHBondContact OE1-NH2 2.9Å; E767-R796 WeakPolarHBondContact OE2-CG 3.37Å; E767-R796 IonicContact OE2-CZ 2.68Å; E767-R796 IonicContact OE2-NE 2.66Å; E767-R796 PolarHBondContact OE2-NE 3.15Å; E767-R796 IonicContact OE2-NH2 2.66Å; L794-R796 PolarHBondContact O-N 3.02Å; R796-Y804 CarbonylContact O-C 3.6Å; R796-Y804 WeakPolarHBondContact O-CA 3.37Å; R796-Y804 WeakPolarHBondContact O-CB 3.46Å; R796-F805 PolarHBondContact N-O 3.3Å; R796-F805 PolarHBondContact O-N 3.36Å; R796-C807 HydrophobicContact CB-CB 4.25Å; R796-C807 HydrophobicContact CG-CB 3.52Å; R796-S851 PolarHBondContact NH1-OG 3.1Å; R796-S851 PolarHBondContact NH2-OG 3.16Å; R796-E855 PolarHBondContact NH1-O 2.68Å
797	P	84.8	Confident	78.9	Confident	50 Å²	50	48.4 Å²	48.4	33%	0.325	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	133.9	168.6	27.4	-31.4	0	0	0	110.6	Y804	P797-Y804 VanDerWaalsContact CA-CD1 3.4Å; P797-Y804 HydrophobicContact CB-CD1 3.75Å; P797-Y804 HydrophobicContact CB-CE1 3.6Å; P797-Y804 HydrophobicContact CG-CE1 4.44Å
798	N	84.4	Confident	80.1	Confident	9 Å²	9	48.2 Å²	48.2	5%	0.048	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	104.6	163.5	179.1	-21.7	0	0	0	108.7	V762 V800 R801 N802 R803 F805	V762-N798 WeakPolarHBondContact CA-ND2 3.49Å; N798-V800 VanDerWaalsContact C-N 3.26Å; N798-V800 PolarHBondContact O-N 2.78Å; N798-V800 WeakPolarHBondContact OD1-CA 3.44Å; N798-V800 WeakPolarHBondContact OD1-CB 3.42Å; N798-V800 PolarHBondContact OD1-N 2.72Å; N798-R801 HydrophobicContact CB-CB 4.44Å; N798-R801 PolarHBondContact O-N 3.49Å; N798-R801 PolarHBondContact OD1-N 2.96Å; N798-R801 VanDerWaalsContact OD1-N 3.08Å; N798-N802 PolarHBondContact O-N 2.91Å; N798-R803 WeakPolarHBondContact CB-O 3.48Å; N798-R803 PolarHBondContact N-O 2.95Å; N798-F805 HydrophobicContact CB-CD2 3.62Å; N798-F805 HydrophobicContact CB-CE2 3.65Å
799	P	79.2	Confident	80.6	Confident	119 Å²	119	47.7 Å²	47.7	77%	0.773	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-24.3	-177.6	27.6	-34.4	0	0	0	113.2
800	V	80.7	Confident	80.4	Confident	135 Å²	135	49.2 Å²	49.2	82%	0.818	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-36.9	179	-175.3	0	0	0	0	111.2	N798	N798-V800 VanDerWaalsContact C-N 3.26Å; N798-V800 PolarHBondContact O-N 2.78Å; N798-V800 WeakPolarHBondContact OD1-CA 3.44Å; N798-V800 WeakPolarHBondContact OD1-CB 3.42Å; N798-V800 PolarHBondContact OD1-N 2.72Å
801	R	81.6	Confident	80.2	Confident	129 Å²	129	57.8 Å²	57.8	49%	0.487	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-5	-178.9	-64.6	-171.4	-177.2	-170.9	3.6	114.4	N798 R803 F805	N798-R801 HydrophobicContact CB-CB 4.44Å; N798-R801 PolarHBondContact O-N 3.49Å; N798-R801 PolarHBondContact OD1-N 2.96Å; N798-R801 VanDerWaalsContact OD1-N 3.08Å; R801-R803 WeakPolarHBondContact O-CG 3.43Å; R801-R803 PolarHBondContact O-N 3.25Å; R801-F805 HydrophobicContact CB-CE2 4.18Å; R801-F805 HydrophobicContact CB-CZ 4.45Å
802	N	81.3	Confident	80.2	Confident	148 Å²	148	63.3 Å²	63.3	79%	0.791	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	37.9	-173.3	-162.8	27.9	0	0	0	113.5	N798	N798-N802 PolarHBondContact O-N 2.91Å
803	R	85	Confident	80.1	Confident	136 Å²	136	63.5 Å²	63.5	51%	0.513	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	166.6	-177	-69.2	173.8	92	157	1.4	109	E780 N798 R801 F805	E780-R803 IonicContact OE1-CZ 3.24Å; E780-R803 IonicContact OE1-NE 2.99Å; E780-R803 PolarHBondContact OE1-NE 3.04Å; E780-R803 IonicContact OE1-NH1 2.8Å; E780-R803 IonicContact OE1-NH2 2.74Å; E780-R803 PolarHBondContact OE1-NH2 3.26Å; E780-R803 IonicContact OE2-CZ 2.6Å; E780-R803 IonicContact OE2-NE 3.63Å; E780-R803 PolarHBondContact OE2-NE 2.74Å; E780-R803 IonicContact OE2-NH2 3.79Å; E780-R803 PolarHBondContact OE2-NH2 3.11Å; N798-R803 WeakPolarHBondContact CB-O 3.48Å; N798-R803 PolarHBondContact N-O 2.95Å; R801-R803 WeakPolarHBondContact O-CG 3.43Å; R801-R803 PolarHBondContact O-N 3.25Å; R803-F805 HydrophobicContact CB-CE2 3.84Å; R803-F805 HydrophobicContact CB-CZ 4Å
804	Y	85.6	Confident	79.9	Confident	100 Å²	100	63.6 Å²	63.6	39%	0.392	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	143.8	178.4	-55.2	-107.1	0	0	0	110.7	E780 C781 P783 C795 R796 P797	E780-Y804 VanDerWaalsContact CA-O 3.3Å; E780-Y804 WeakPolarHBondContact CA-O 3.33Å; C781-Y804 PolarHBondContact N-O 3.12Å; C781-Y804 WeakPolarHBondContact O-CB 3.49Å; C781-Y804 VanDerWaalsContact SG-CB 3.59Å; P783-Y804 HydrophobicContact CG-CD1 3.38Å; P783-Y804 HydrophobicContact CG-CD2 3.85Å; P783-Y804 HydrophobicContact CG-CE1 3.31Å; P783-Y804 HydrophobicContact CG-CE2 3.8Å; P783-Y804 HydrophobicContact CG-CG 3.68Å; C795-Y804 WeakPolarHBondContact SG-CB 3.26Å; R796-Y804 CarbonylContact O-C 3.6Å; R796-Y804 WeakPolarHBondContact O-CA 3.37Å; R796-Y804 WeakPolarHBondContact O-CB 3.46Å; P797-Y804 VanDerWaalsContact CA-CD1 3.4Å; P797-Y804 HydrophobicContact CB-CD1 3.75Å; P797-Y804 HydrophobicContact CB-CE1 3.6Å; P797-Y804 HydrophobicContact CG-CE1 4.44Å
805	F	87.9	Confident	79.8	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.018	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	150	-174.1	-61.4	-87.5	0	0	0	111.5	V762 I778 E780 C781 R796 N798 R801 R803 C807	V762-F805 HydrophobicContact CB-CB 4.25Å; V762-F805 HydrophobicContact CB-CD1 4.29Å; V762-F805 HydrophobicContact CB-CD2 3.79Å; V762-F805 HydrophobicContact CB-CE2 4.2Å; V762-F805 HydrophobicContact CB-CG 3.84Å; V762-F805 HydrophobicContact CG1-CD1 4.33Å; V762-F805 HydrophobicContact CG1-CD2 4.21Å; V762-F805 HydrophobicContact CG1-CE1 4.23Å; V762-F805 HydrophobicContact CG1-CE2 4.13Å; V762-F805 HydrophobicContact CG1-CG 4.31Å; V762-F805 HydrophobicContact CG1-CZ 4.14Å; V762-F805 HydrophobicContact CG2-CB 3.98Å; V762-F805 HydrophobicContact CG2-CD1 4.26Å; V762-F805 HydrophobicContact CG2-CD2 4.41Å; V762-F805 HydrophobicContact CG2-CG 3.96Å; I778-F805 HydrophobicContact CB-CD1 4.42Å; I778-F805 HydrophobicContact CG2-CD1 3.89Å; E780-F805 HydrophobicContact CG-CD1 3.62Å; E780-F805 HydrophobicContact CG-CE1 3.34Å; E780-F805 HydrophobicContact CG-CZ 4.08Å; C781-F805 PolarHBondContact SG-N 2.87Å; C781-F805 VanDerWaalsContact SG-N 3.4Å; R796-F805 PolarHBondContact N-O 3.3Å; R796-F805 PolarHBondContact O-N 3.36Å; N798-F805 HydrophobicContact CB-CD2 3.62Å; N798-F805 HydrophobicContact CB-CE2 3.65Å; R801-F805 HydrophobicContact CB-CE2 4.18Å; R801-F805 HydrophobicContact CB-CZ 4.45Å; R803-F805 HydrophobicContact CB-CE2 3.84Å; R803-F805 HydrophobicContact CB-CZ 4Å; F805-C807 PolarHBondContact O-N 3.05Å
806	C	87.6	Confident	79.7	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	115.3	177	-66.3	0	0	0	0	111.1	Y770 R779 C789 F793 L794	Y770-C806 WeakPolarHBondContact CB-O 3.46Å; Y770-C806 HydrophobicContact CG-CB 4.5Å; Y770-C806 PolarHBondContact N-O 3.35Å; R779-C806 HydrophobicContact CB-CB 4.44Å; R779-C806 HydrophobicContact CG-CB 4.49Å; R779-C806 PolarHBondContact O-N 3.36Å; C789-C806 WeakPolarHBondContact CA-SG 3.08Å; C789-C806 HydrophobicContact CB-CB 3.81Å; C789-C806 WeakPolarHBondContact CB-SG 3.38Å; C789-C806 WeakPolarHBondContact SG-CA 3.4Å; C789-C806 WeakPolarHBondContact SG-CB 3.48Å; C789-C806 CovalentContact SG-SG 2.04Å; C789-C806 PolarHBondContact SG-SG 2.83Å; F793-C806 HydrophobicContact CB-CB 4.07Å; F793-C806 HydrophobicContact CD1-CB 4.5Å; L794-C806 WeakPolarHBondContact O-CA 3.5Å
807	C	88.2	Confident	79	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	130.3	-178.1	-56.6	0	0	0	0	111.8	C763 E767 Q768 F793 L794 R796 F805	C763-C807 WeakPolarHBondContact CA-SG 3.03Å; C763-C807 HydrophobicContact CB-CB 3.75Å; C763-C807 WeakPolarHBondContact CB-SG 3Å; C763-C807 VanDerWaalsContact SG-CA 3.59Å; C763-C807 WeakPolarHBondContact SG-CB 3.21Å; C763-C807 CovalentContact SG-SG 2.03Å; C763-C807 PolarHBondContact SG-SG 2.91Å; E767-C807 HydrophobicContact CB-CB 4.18Å; E767-C807 WeakPolarHBondContact OE2-CB 3.35Å; Q768-C807 CarbonylContact O-C 3.6Å; Q768-C807 WeakPolarHBondContact O-CA 3.18Å; F793-C807 CarbonylContact C-O 3.35Å; F793-C807 WeakPolarHBondContact CA-O 3.31Å; L794-C807 PolarHBondContact N-O 3.02Å; L794-C807 PolarHBondContact O-N 2.95Å; R796-C807 HydrophobicContact CB-CB 4.25Å; R796-C807 HydrophobicContact CG-CB 3.52Å; F805-C807 PolarHBondContact O-N 3.05Å
808	R	85.4	Confident	78.2	Confident	42 Å²	42	70.1 Å²	70.1	16%	0.158	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	120.8	175.3	175.6	167	76.6	178	4.8	109.6	E715 E767 Q768 N792 F793	E715-R808 IonicContact OE1-CZ 2.81Å; E715-R808 VanDerWaalsContact OE1-CZ 3.24Å; E715-R808 IonicContact OE1-NH1 2.67Å; E715-R808 PolarHBondContact OE1-NH1 3.08Å; E715-R808 IonicContact OE1-NH2 3.53Å; E715-R808 PolarHBondContact OE1-NH2 3.21Å; E767-R808 WeakPolarHBondContact CA-O 3.19Å; Q768-R808 HydrophobicContact CB-CB 4.33Å; Q768-R808 PolarHBondContact N-O 3.38Å; Q768-R808 PolarHBondContact O-N 2.95Å; Q768-R808 VanDerWaalsContact OE1-CZ 3.27Å; N792-R808 WeakPolarHBondContact O-CA 3.42Å; F793-R808 HydrophobicContact CD1-CB 3.58Å; F793-R808 HydrophobicContact CD2-CB 4.42Å; F793-R808 HydrophobicContact CE1-CB 3.45Å; F793-R808 VanDerWaalsContact CE1-CB 3.45Å; F793-R808 HydrophobicContact CE2-CB 4.32Å; F793-R808 HydrophobicContact CG-CB 4.07Å; F793-R808 HydrophobicContact CZ-CB 3.85Å
809	V	77.1	Confident	78	Confident	8 Å²	8	72.2 Å²	72.2	5%	0.048	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-81.7	134.4	172.1	-174.2	0	0	0	0	108.5	E767 L794 R811 A813 Y857	E767-V809 HydrophobicContact CG-CG2 4.49Å; L794-V809 HydrophobicContact CD1-CG2 3.9Å; L794-V809 HydrophobicContact CG-CG2 4.38Å; V809-R811 PolarHBondContact O-N 3.02Å; V809-A813 HydrophobicContact CG1-CB 3.92Å; V809-Y857 HydrophobicContact CB-CE2 4.13Å; V809-Y857 HydrophobicContact CG2-CE2 4.08Å
810	A	69.1	Low	77.8	Confident	44 Å²	44	67.6 Å²	67.6	36%	0.364	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-54.3	139.2	174.4	0	0	0	0	0	111	T812 A813 M814	A810-T812 PolarHBondContact O-N 2.75Å; A810-A813 CarbonylContact O-C 3.36Å; A810-A813 WeakPolarHBondContact O-CA 3.32Å; A810-A813 PolarHBondContact O-N 3.35Å; A810-M814 PolarHBondContact O-N 2.9Å
811	R	65.4	Low	77.7	Confident	211 Å²	211	62.9 Å²	62.9	80%	0.796	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-54.5	-31.8	-176.3	-73.2	-171.7	-178.3	-163.3	3	113.6	V809 A813 M814	V809-R811 PolarHBondContact O-N 3.02Å; R811-A813 VanDerWaalsContact C-N 3.3Å; R811-A813 PolarHBondContact O-N 3.06Å; R811-M814 HydrophobicContact CB-SD 4.45Å; R811-M814 HydrophobicContact CG-CE 3.94Å; R811-M814 HydrophobicContact CG-SD 4.28Å
812	T	65.4	Low	77.6	Confident	137 Å²	137	58.6 Å²	58.6	84%	0.84	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-72.1	-17.9	176.5	46.3	0	0	0	0	114.3	A810	A810-T812 PolarHBondContact O-N 2.75Å
813	A	67.8	Low	77.1	Confident	42 Å²	42	53.2 Å²	53.2	35%	0.347	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-112.3	2.5	-178.1	0	0	0	0	0	113.7	V809 A810 R811 C815 A850	V809-A813 HydrophobicContact CG1-CB 3.92Å; A810-A813 CarbonylContact O-C 3.36Å; A810-A813 WeakPolarHBondContact O-CA 3.32Å; A810-A813 PolarHBondContact O-N 3.35Å; R811-A813 VanDerWaalsContact C-N 3.3Å; R811-A813 PolarHBondContact O-N 3.06Å; A813-C815 VanDerWaalsContact C-N 3.31Å; A813-C815 PolarHBondContact O-N 2.03Å; A813-A850 WeakPolarHBondContact O-CB 3.46Å
814	M	74.9	Confident	75.9	Confident	8 Å²	8	47.8 Å²	47.8	4%	0.039	27%	0.266	C	S	.	.	S	Bend	trans	-61.4	-38.5	177.8	-71.5	177.6	170.6	0	0	112.5	A810 R811 P830 Y857	A810-M814 PolarHBondContact O-N 2.9Å; R811-M814 HydrophobicContact CB-SD 4.45Å; R811-M814 HydrophobicContact CG-CE 3.94Å; R811-M814 HydrophobicContact CG-SD 4.28Å; M814-P830 HydrophobicContact CE-CG 4.2Å; M814-P830 HydrophobicContact SD-CB 4.47Å; M814-P830 HydrophobicContact SD-CG 3.84Å; M814-Y857 HydrophobicContact CB-CD2 3.92Å; M814-Y857 HydrophobicContact CB-CE2 4.08Å; M814-Y857 HydrophobicContact CB-CG 4.46Å; M814-Y857 HydrophobicContact CG-CD2 4.25Å; M814-Y857 HydrophobicContact CG-CE2 3.9Å; M814-Y857 VanDerWaalsContact O-CD2 3.29Å; M814-Y857 WeakPolarHBondContact O-CD2 3.38Å
815	C	78.8	Confident	74.2	Confident	8 Å²	8	48.3 Å²	48.3	5%	0.054	27%	0.274	C	S	.	.	S	Bend	trans	-125.5	154.9	176.9	-69.8	0	0	0	0	110.8	A813 K819 A820 P821 C859	A813-C815 VanDerWaalsContact C-N 3.31Å; A813-C815 PolarHBondContact O-N 2.03Å; C815-K819 HydrophobicContact CB-CB 4.03Å; C815-A820 VanDerWaalsContact SG-C 3.53Å; C815-P821 WeakPolarHBondContact SG-CA 3.37Å; C815-C859 WeakPolarHBondContact CA-SG 3.24Å; C815-C859 HydrophobicContact CB-CB 3.81Å; C815-C859 WeakPolarHBondContact CB-SG 3.37Å; C815-C859 WeakPolarHBondContact SG-CB 3.5Å; C815-C859 CovalentContact SG-SG 2.03Å; C815-C859 PolarHBondContact SG-SG 3.25Å
816	P	77.9	Confident	71.9	Confident	38 Å²	38	53.1 Å²	53.1	25%	0.247	30%	0.298	C	S	.	.	S	Bend	trans	-55.9	150.8	174.4	-26	35.7	0	0	0	112.5	G818 K819 Q848	P816-G818 PolarHBondContact O-N 3.19Å; P816-K819 WeakPolarHBondContact O-CB 3.37Å; P816-K819 PolarHBondContact O-N 3.28Å; P816-Q848 HydrophobicContact CG-CB 4.28Å
817	P	71.9	Confident	70	Confident	118 Å²	118	55.6 Å²	55.6	77%	0.766	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	127.9	-176	-31.5	36.2	0	0	0	114.1
818	G	67	Low	68.5	Low	37 Å²	37	58 Å²	58	38%	0.381	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	-0.4	-176.4	0	0	0	0	0	115.2	P816 R863 K864	P816-G818 PolarHBondContact O-N 3.19Å; G818-R863 CarbonylContact O-C 3.59Å; G818-R863 VanDerWaalsContact O-CA 3.22Å; G818-R863 WeakPolarHBondContact O-CA 3.4Å; G818-K864 PolarHBondContact O-N 2.78Å
819	K	79.4	Confident	67.2	Low	52 Å²	52	58.9 Å²	58.9	23%	0.226	34%	0.343	C	S	.	.			trans	-106.9	155.4	175.3	-66.8	179	165.2	-132.6	0	111.9	C815 P816 C859 T860 V861 R863	C815-K819 HydrophobicContact CB-CB 4.03Å; P816-K819 WeakPolarHBondContact O-CB 3.37Å; P816-K819 PolarHBondContact O-N 3.28Å; K819-C859 HydrophobicContact CB-CB 4.49Å; K819-T860 VanDerWaalsContact CD-O 3.23Å; K819-T860 WeakPolarHBondContact CD-O 3.41Å; K819-T860 WeakPolarHBondContact CE-O 3.42Å; K819-T860 PolarHBondContact NZ-O 3.4Å; K819-V861 WeakPolarHBondContact CE-O 3.27Å; K819-V861 PolarHBondContact NZ-O 2.84Å; K819-R863 HydrophobicContact CG-CG 4.45Å
820	A	75	Confident	66.9	Low	23 Å²	23	59.2 Å²	59.2	19%	0.19	35%	0.346	C	S	.	.			trans	-114.2	144.2	179.2	0	0	0	0	0	111.2	C815 C859 T860	C815-A820 VanDerWaalsContact SG-C 3.53Å; A820-C859 CarbonylContact O-C 3.56Å; A820-C859 WeakPolarHBondContact O-CA 3.42Å; A820-T860 HydrophobicContact CB-CG2 4.12Å; A820-T860 PolarHBondContact N-OG1 3.37Å; A820-T860 VanDerWaalsContact N-OG1 3.09Å; A820-T860 PolarHBondContact O-N 3.02Å
821	P	80.2	Confident	67.2	Low	35 Å²	35	59.3 Å²	59.3	23%	0.227	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-73	145.4	173.7	29.2	-33.4	0	0	0	111.2	C815 V823 P830 C858	C815-P821 WeakPolarHBondContact SG-CA 3.37Å; P821-V823 PolarHBondContact O-N 2.9Å; P821-P830 HydrophobicContact CB-CB 4.24Å; P821-C858 CarbonylContact C-O 3.58Å; P821-C858 WeakPolarHBondContact CA-O 3.19Å
822	Y	79.1	Confident	67.7	Low	40 Å²	40	52 Å²	52	16%	0.157	32%	0.316	C	S	.	.			trans	-68	111.6	163.3	178.7	-107.8	0	0	0	108.3	N824 P830 Q831 P842 Y845 C858	Y822-N824 HydrophobicContact CD1-CB 4.34Å; Y822-N824 VanDerWaalsContact CE1-CA 3.42Å; Y822-N824 HydrophobicContact CE1-CB 3.76Å; Y822-P830 CarbonylContact O-C 3.39Å; Y822-P830 WeakPolarHBondContact O-CA 3.45Å; Y822-Q831 HydrophobicContact CD1-CB 3.71Å; Y822-Q831 HydrophobicContact CE1-CB 4.39Å; Y822-Q831 PolarHBondContact O-N 2.61Å; Y822-P842 HydrophobicContact CD1-CG 3.69Å; Y822-P842 HydrophobicContact CD2-CG 3.98Å; Y822-P842 HydrophobicContact CE1-CG 3.5Å; Y822-P842 HydrophobicContact CE2-CB 4.35Å; Y822-P842 HydrophobicContact CE2-CG 3.82Å; Y822-P842 HydrophobicContact CG-CG 3.93Å; Y822-Y845 AromaticContact CD2-CD2 3.95Å; Y822-Y845 HydrophobicContact CD2-CD2 3.95Å; Y822-Y845 HydrophobicContact CD2-CE1 4.26Å; Y822-Y845 AromaticContact CD2-CE2 3.6Å; Y822-Y845 HydrophobicContact CD2-CE2 3.6Å; Y822-Y845 HydrophobicContact CD2-CG 4.46Å; Y822-Y845 AromaticContact CD2-CZ 3.77Å; Y822-Y845 HydrophobicContact CE2-CE2 4.43Å; Y822-Y845 HydrophobicContact CG-CD1 4.49Å; Y822-Y845 HydrophobicContact CG-CD2 4.38Å; Y822-Y845 HydrophobicContact CG-CE1 4.43Å; Y822-Y845 HydrophobicContact CG-CE2 4.36Å; Y822-Y845 HydrophobicContact CG-CG 4.47Å; Y822-C858 PolarHBondContact N-O 2.92Å
823	V	70.5	Confident	68.3	Low	34 Å²	34	45.9 Å²	45.9	21%	0.206	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-85.2	116.1	166.6	-177.6	0	0	0	0	106.9	P821 I825 G828	P821-V823 PolarHBondContact O-N 2.9Å; V823-I825 PolarHBondContact O-N 3.41Å; V823-I825 VanDerWaalsContact O-N 3.17Å; V823-G828 VanDerWaalsContact CG1-C 3.44Å; V823-G828 WeakPolarHBondContact CG1-O 3.03Å
824	N	58.9	Low	68.5	Low	23 Å²	23	47 Å²	47	12%	0.123	28%	0.28	C	S	.	.			trans	-65.5	117.8	179.1	-177.4	-59.3	0	0	0	109	Y822 M826 T827 G828 Q829 Q831	Y822-N824 HydrophobicContact CD1-CB 4.34Å; Y822-N824 VanDerWaalsContact CE1-CA 3.42Å; Y822-N824 HydrophobicContact CE1-CB 3.76Å; N824-M826 CarbonylContact O-C 3.56Å; N824-M826 PolarHBondContact O-N 3.27Å; N824-M826 WeakPolarHBondContact OD1-CA 3.41Å; N824-M826 VanDerWaalsContact OD1-CB 3.27Å; N824-M826 WeakPolarHBondContact OD1-CB 3Å; N824-M826 PolarHBondContact OD1-N 2.96Å; N824-T827 PolarHBondContact O-N 2.73Å; N824-T827 VanDerWaalsContact O-N 3.08Å; N824-T827 PolarHBondContact OD1-N 2.82Å; N824-G828 PolarHBondContact O-N 3.17Å; N824-Q829 PolarHBondContact N-O 2.8Å; N824-Q831 PolarHBondContact ND2-OE1 2.99Å; N824-Q831 VanDerWaalsContact ND2-OE1 3.1Å
825	I	51.6	Low	68.4	Low	110 Å²	110	50.2 Å²	50.2	56%	0.564	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.7	-175.1	55.6	168	0	0	0	113.2	V823 T898	V823-I825 PolarHBondContact O-N 3.41Å; V823-I825 VanDerWaalsContact O-N 3.17Å; I825-T898 HydrophobicContact CG2-CG2 3.48Å; I825-T898 VanDerWaalsContact CG2-CG2 3.48Å
826	M	38.7	Very low	67.8	Low	106 Å²	106	52.3 Å²	52.3	52%	0.522	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-63.8	172.1	-53.2	-170.8	-70.3	0	0	108.4	R645 N824 G828	R645-M826 PolarHBondContact NH1-O 3.38Å; R645-M826 PolarHBondContact NH2-O 2.03Å; N824-M826 CarbonylContact O-C 3.56Å; N824-M826 PolarHBondContact O-N 3.27Å; N824-M826 WeakPolarHBondContact OD1-CA 3.41Å; N824-M826 VanDerWaalsContact OD1-CB 3.27Å; N824-M826 WeakPolarHBondContact OD1-CB 3Å; N824-M826 PolarHBondContact OD1-N 2.96Å; M826-G828 VanDerWaalsContact C-N 3.35Å; M826-G828 PolarHBondContact O-N 3.07Å
827	T	48.1	Very low	66.9	Low	51 Å²	51	56.6 Å²	56.6	31%	0.313	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-11.9	-165.6	63.5	0	0	0	0	114.7	N824 Q829	N824-T827 PolarHBondContact O-N 2.73Å; N824-T827 VanDerWaalsContact O-N 3.08Å; N824-T827 PolarHBondContact OD1-N 2.82Å; T827-Q829 PolarHBondContact O-N 2.99Å; T827-Q829 PolarHBondContact OG1-N 2.74Å
828	G	55.7	Low	66.2	Low	50 Å²	50	59.6 Å²	59.6	52%	0.515	35%	0.35	S	S	.	.	S	Bend	trans	67.2	10.8	-173.8	0	0	0	0	0	113.7	V823 N824 M826	V823-G828 VanDerWaalsContact CG1-C 3.44Å; V823-G828 WeakPolarHBondContact CG1-O 3.03Å; N824-G828 PolarHBondContact O-N 3.17Å; M826-G828 VanDerWaalsContact C-N 3.35Å; M826-G828 PolarHBondContact O-N 3.07Å
829	Q	59.1	Low	66	Low	61 Å²	61	62.1 Å²	62.1	29%	0.285	36%	0.355	S	S	.	.	S	Bend	trans	-120.8	152.4	-172.9	-69.6	175.2	-20.8	0	0	111.6	N824 T827 Q831	N824-Q829 PolarHBondContact N-O 2.8Å; T827-Q829 PolarHBondContact O-N 2.99Å; T827-Q829 PolarHBondContact OG1-N 2.74Å; Q829-Q831 PolarHBondContact O-N 2.04Å
830	P	71.2	Confident	65.7	Low	15 Å²	15	62.5 Å²	62.5	10%	0.097	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-55.5	133.7	170.5	-23.2	34.5	0	0	0	111.1	N792 M814 P821 Y822 N832 Y857	N792-P830 WeakPolarHBondContact OD1-CD 3.5Å; M814-P830 HydrophobicContact CE-CG 4.2Å; M814-P830 HydrophobicContact SD-CB 4.47Å; M814-P830 HydrophobicContact SD-CG 3.84Å; P821-P830 HydrophobicContact CB-CB 4.24Å; Y822-P830 CarbonylContact O-C 3.39Å; Y822-P830 WeakPolarHBondContact O-CA 3.45Å; P830-N832 PolarHBondContact O-N 2.03Å; P830-Y857 HydrophobicContact CB-CD1 3.63Å; P830-Y857 HydrophobicContact CB-CE1 3.76Å
831	Q	74.4	Confident	65.9	Low	47 Å²	47	62.1 Å²	62.1	22%	0.22	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-80.7	117.8	176.9	-176	161.7	-41.1	0	0	111	Y822 N824 Q829 S840 Y857 C858	Y822-Q831 HydrophobicContact CD1-CB 3.71Å; Y822-Q831 HydrophobicContact CE1-CB 4.39Å; Y822-Q831 PolarHBondContact O-N 2.61Å; N824-Q831 PolarHBondContact ND2-OE1 2.99Å; N824-Q831 VanDerWaalsContact ND2-OE1 3.1Å; Q829-Q831 PolarHBondContact O-N 2.04Å; Q831-S840 PolarHBondContact NE2-O 3.4Å; Q831-Y857 WeakPolarHBondContact O-CA 3.37Å; Q831-C858 HydrophobicContact CB-CB 4.37Å; Q831-C858 PolarHBondContact O-N 2.82Å
832	N	76	Confident	65.8	Low	57 Å²	57	61.8 Å²	61.8	31%	0.305	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	151.4	168.9	-61.8	0.8	0	0	0	110.2	F793 L794 P830 G856 Y857	F793-N832 PolarHBondContact O-ND2 3.48Å; L794-N832 HydrophobicContact CD2-CB 4.04Å; L794-N832 VanDerWaalsContact CD2-CG 3.44Å; L794-N832 WeakPolarHBondContact CD2-OD1 3.04Å; P830-N832 PolarHBondContact O-N 2.03Å; N832-G856 CarbonylContact C-O 3.58Å; N832-G856 WeakPolarHBondContact CA-O 3.45Å; N832-Y857 WeakPolarHBondContact OD1-CE1 3.48Å
833	C	77.2	Confident	65.5	Low	8 Å²	8	65.4 Å²	65.4	5%	0.054	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	161.5	177.9	62.9	0	0	0	0	111	S840 C847 E855 G856 Y857	C833-S840 WeakPolarHBondContact CB-OG 3.48Å; C833-C847 HydrophobicContact CB-CB 3.7Å; C833-C847 WeakPolarHBondContact CB-SG 3.42Å; C833-C847 WeakPolarHBondContact SG-CA 2.99Å; C833-C847 WeakPolarHBondContact SG-CB 3.01Å; C833-C847 CovalentContact SG-SG 2.03Å; C833-C847 PolarHBondContact SG-SG 3.07Å; C833-E855 WeakPolarHBondContact O-CA 3.46Å; C833-G856 PolarHBondContact N-O 2.8Å; C833-G856 PolarHBondContact O-N 2.99Å; C833-G856 PolarHBondContact SG-O 3.21Å; C833-Y857 PolarHBondContact SG-O 3.32Å
834	V	73.7	Confident	65.8	Low	65 Å²	65	68.6 Å²	68.6	39%	0.394	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	131.6	174.5	-174.9	0	0	0	0	109.3	G836 C847 R854	V834-G836 PolarHBondContact O-N 2.03Å; V834-C847 VanDerWaalsContact C-SG 3.55Å; V834-R854 WeakPolarHBondContact CA-O 3.3Å
835	L	71.5	Confident	67	Low	77 Å²	77	69.3 Å²	69.3	40%	0.403	40%	0.403	S	S	.	.			trans	-67.7	116.7	171.4	-66.5	178.5	0	0	0	109.6	C847 Q853 R854	L835-C847 HydrophobicContact CD2-CB 4.13Å; L835-C847 VanDerWaalsContact CD2-O 3.26Å; L835-C847 WeakPolarHBondContact CD2-O 3.38Å; L835-Q853 WeakPolarHBondContact CD1-O 3.46Å; L835-R854 PolarHBondContact N-O 3.41Å
836	G	66.6	Low	68.5	Low	52 Å²	52	66 Å²	66	54%	0.536	39%	0.389	S	S	.	.	S	Bend	trans	-180	-177.8	-179	0	0	0	0	0	112.1	V834 F838	V834-G836 PolarHBondContact O-N 2.03Å; G836-F838 PolarHBondContact O-N 2.85Å
837	P	59	Low	70.7	Confident	128 Å²	128	61.8 Å²	61.8	83%	0.831	37%	0.37	S	S	*	.	S	Bend	trans	-67.6	-19.7	-178.6	27.1	-34.5	0	0	0	113.5
838	F	56.8	Low	72.4	Confident	180 Å²	180	60.6 Å²	60.6	79%	0.789	36%	0.361	S	S	*	.	S	Bend	trans	-95.8	102.2	176.1	-60.9	-76.6	0	0	0	110.1	G836 S840	G836-F838 PolarHBondContact O-N 2.85Å; F838-S840 PolarHBondContact O-N 3.02Å
839	N	63.8	Low	73.4	Confident	91 Å²	91	58.9 Å²	58.9	49%	0.487	34%	0.341	S	S	.	.			trans	-70.3	104.5	175	-168.7	30.1	0	0	0	109.6	C841 Y845 C847	N839-C841 PolarHBondContact O-N 3.34Å; N839-C841 WeakPolarHBondContact OD1-CB 3.34Å; N839-Y845 PolarHBondContact ND2-O 3.34Å; N839-Y845 VanDerWaalsContact ND2-O 3.15Å; N839-C847 PolarHBondContact OD1-N 2.91Å
840	S	73	Confident	73.8	Confident	59 Å²	59	58.9 Å²	58.9	41%	0.413	35%	0.351	S	S	.	.			trans	-79.2	10.3	177.4	38.2	0	0	0	0	113.5	Q831 C833 F838	Q831-S840 PolarHBondContact NE2-O 3.4Å; C833-S840 WeakPolarHBondContact CB-OG 3.48Å; F838-S840 PolarHBondContact O-N 3.02Å
841	C	78.5	Confident	73.5	Confident	15 Å²	15	60.3 Å²	60.3	10%	0.101	36%	0.362	C	S	.	.	S	Bend	trans	-100.8	151.6	-176.5	-63.1	0	0	0	0	112.7	N839 C858	N839-C841 PolarHBondContact O-N 3.34Å; N839-C841 WeakPolarHBondContact OD1-CB 3.34Å; C841-C858 WeakPolarHBondContact CA-SG 3.45Å; C841-C858 HydrophobicContact CB-CB 3.68Å; C841-C858 WeakPolarHBondContact CB-SG 3.38Å; C841-C858 WeakPolarHBondContact SG-CA 3.15Å; C841-C858 WeakPolarHBondContact SG-CB 3.35Å; C841-C858 CovalentContact SG-SG 2.04Å; C841-C858 PolarHBondContact SG-SG 3.29Å
842	P	79.4	Confident	72.9	Confident	29 Å²	29	65.2 Å²	65.2	19%	0.188	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-60.5	164.7	172.9	-20.2	31.7	0	0	0	113	Y822 Y845	Y822-P842 HydrophobicContact CD1-CG 3.69Å; Y822-P842 HydrophobicContact CD2-CG 3.98Å; Y822-P842 HydrophobicContact CE1-CG 3.5Å; Y822-P842 HydrophobicContact CE2-CB 4.35Å; Y822-P842 HydrophobicContact CE2-CG 3.82Å; Y822-P842 HydrophobicContact CG-CG 3.93Å; P842-Y845 HydrophobicContact CB-CD2 4.39Å; P842-Y845 PolarHBondContact O-N 2.9Å; P842-Y845 VanDerWaalsContact O-N 3.13Å
843	P	72	Confident	72.5	Confident	116 Å²	116	65.9 Å²	65.9	75%	0.753	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	143.9	169.5	-26.1	35.3	0	0	0	112.4	Y845	P843-Y845 VanDerWaalsContact O-CD2 3.3Å; P843-Y845 WeakPolarHBondContact O-CD2 3.41Å; P843-Y845 PolarHBondContact O-N 3.46Å
844	D	76	Confident	72.2	Confident	101 Å²	101	75.6 Å²	75.6	54%	0.54	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	4.5	-174.6	-54.6	-49	0	0	0	116.9	V861	D844-V861 WeakPolarHBondContact O-CG2 3Å; D844-V861 PolarHBondContact O-N 2.86Å
845	Y	83.8	Confident	72.1	Confident	38 Å²	38	73.6 Å²	73.6	15%	0.149	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.1	170.5	-62.9	-96.1	0	0	0	111.5	Y822 N839 P842 P843 C859 T860	Y822-Y845 AromaticContact CD2-CD2 3.95Å; Y822-Y845 HydrophobicContact CD2-CD2 3.95Å; Y822-Y845 HydrophobicContact CD2-CE1 4.26Å; Y822-Y845 AromaticContact CD2-CE2 3.6Å; Y822-Y845 HydrophobicContact CD2-CE2 3.6Å; Y822-Y845 HydrophobicContact CD2-CG 4.46Å; Y822-Y845 AromaticContact CD2-CZ 3.77Å; Y822-Y845 HydrophobicContact CE2-CE2 4.43Å; Y822-Y845 HydrophobicContact CG-CD1 4.49Å; Y822-Y845 HydrophobicContact CG-CD2 4.38Å; Y822-Y845 HydrophobicContact CG-CE1 4.43Å; Y822-Y845 HydrophobicContact CG-CE2 4.36Å; Y822-Y845 HydrophobicContact CG-CG 4.47Å; N839-Y845 PolarHBondContact ND2-O 3.34Å; N839-Y845 VanDerWaalsContact ND2-O 3.15Å; P842-Y845 HydrophobicContact CB-CD2 4.39Å; P842-Y845 PolarHBondContact O-N 2.9Å; P842-Y845 VanDerWaalsContact O-N 3.13Å; P843-Y845 VanDerWaalsContact O-CD2 3.3Å; P843-Y845 WeakPolarHBondContact O-CD2 3.41Å; P843-Y845 PolarHBondContact O-N 3.46Å; Y845-C859 WeakPolarHBondContact CA-O 3.42Å; Y845-C859 VanDerWaalsContact CD1-C 3.5Å; Y845-T860 HydrophobicContact CD1-CG2 4.11Å; Y845-T860 HydrophobicContact CE1-CG2 3.5Å
846	S	84.7	Confident	72.4	Confident	39 Å²	39	69.9 Å²	69.9	27%	0.273	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146	171.4	64	0	0	0	0	110.9	Q848 C859	S846-Q848 PolarHBondContact O-N 3.27Å; S846-Q848 PolarHBondContact O-NE2 3.07Å; S846-Q848 PolarHBondContact OG-NE2 3.45Å; S846-C859 PolarHBondContact N-O 3.37Å; S846-C859 PolarHBondContact O-N 2.95Å
847	C	85.2	Confident	73.2	Confident	18 Å²	18	67.6 Å²	67.6	12%	0.122	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	122.9	178.9	-169.6	0	0	0	0	110.9	C833 V834 L835 N839	C833-C847 HydrophobicContact CB-CB 3.7Å; C833-C847 WeakPolarHBondContact CB-SG 3.42Å; C833-C847 WeakPolarHBondContact SG-CA 2.99Å; C833-C847 WeakPolarHBondContact SG-CB 3.01Å; C833-C847 CovalentContact SG-SG 2.03Å; C833-C847 PolarHBondContact SG-SG 3.07Å; V834-C847 VanDerWaalsContact C-SG 3.55Å; L835-C847 HydrophobicContact CD2-CB 4.13Å; L835-C847 VanDerWaalsContact CD2-O 3.26Å; L835-C847 WeakPolarHBondContact CD2-O 3.38Å; N839-C847 PolarHBondContact OD1-N 2.91Å
848	Q	83.3	Confident	74.5	Confident	26 Å²	26	61.5 Å²	61.5	12%	0.121	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	139.8	-177.2	-67.5	165	51.7	0	0	109.9	P816 S846 G856 Y857 C859 T860	P816-Q848 HydrophobicContact CG-CB 4.28Å; S846-Q848 PolarHBondContact O-N 3.27Å; S846-Q848 PolarHBondContact O-NE2 3.07Å; S846-Q848 PolarHBondContact OG-NE2 3.45Å; Q848-G856 WeakPolarHBondContact O-CA 3.27Å; Q848-Y857 PolarHBondContact N-O 3.48Å; Q848-Y857 PolarHBondContact O-N 3.2Å; Q848-Y857 VanDerWaalsContact O-O 3.14Å; Q848-C859 HydrophobicContact CB-CB 3.98Å; Q848-C859 HydrophobicContact CG-CB 4.25Å; Q848-C859 PolarHBondContact NE2-O 2.94Å; Q848-T860 PolarHBondContact NE2-O 3.03Å
849	S	75.7	Confident	76	Confident	14 Å²	14	52.9 Å²	52.9	10%	0.098	29%	0.291	C	S	.	.			trans	-123.8	122.7	174.1	150.7	0	0	0	0	108.7	S851 N852 Q853	S849-S851 PolarHBondContact O-N 2.55Å; S849-S851 VanDerWaalsContact O-N 3.16Å; S849-S851 PolarHBondContact OG-N 2.82Å; S849-S851 PolarHBondContact OG-OG 3.49Å; S849-N852 PolarHBondContact O-N 3.41Å; S849-N852 PolarHBondContact OG-N 3.18Å; S849-N852 VanDerWaalsContact OG-N 3.12Å; S849-Q853 PolarHBondContact OG-N 3.33Å
850	A	67.5	Low	76.9	Confident	61 Å²	61	49.9 Å²	49.9	50%	0.504	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.1	174.3	0	0	0	0	0	113.6	A813	A813-A850 WeakPolarHBondContact O-CB 3.46Å
851	S	65.5	Low	77.1	Confident	45 Å²	45	50.1 Å²	50.1	32%	0.315	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	16.1	-175.8	59.8	0	0	0	0	114.3	R796 S849 Q853	R796-S851 PolarHBondContact NH1-OG 3.1Å; R796-S851 PolarHBondContact NH2-OG 3.16Å; S849-S851 PolarHBondContact O-N 2.55Å; S849-S851 VanDerWaalsContact O-N 3.16Å; S849-S851 PolarHBondContact OG-N 2.82Å; S849-S851 PolarHBondContact OG-OG 3.49Å; S851-Q853 PolarHBondContact O-N 3.5Å; S851-Q853 WeakPolarHBondContact OG-CG 3.19Å
852	N	62.9	Low	76.4	Confident	151 Å²	151	56.4 Å²	56.4	81%	0.807	30%	0.297	S	S	*	.			trans	50	27.2	-175.7	-65.2	-18.1	0	0	0	115.9	S849	S849-N852 PolarHBondContact O-N 3.41Å; S849-N852 PolarHBondContact OG-N 3.18Å; S849-N852 VanDerWaalsContact OG-N 3.12Å
853	Q	65.8	Low	75.1	Confident	70 Å²	70	64.4 Å²	64.4	33%	0.327	32%	0.324	S	S	.	.			trans	-88.2	156.4	178.1	-66.7	-60.7	-39	0	0	111.2	L835 S849 S851 E855	L835-Q853 WeakPolarHBondContact CD1-O 3.46Å; S849-Q853 PolarHBondContact OG-N 3.33Å; S851-Q853 PolarHBondContact O-N 3.5Å; S851-Q853 WeakPolarHBondContact OG-CG 3.19Å; Q853-E855 PolarHBondContact O-N 3Å
854	R	70.9	Confident	73.7	Confident	213 Å²	213	64.7 Å²	64.7	80%	0.804	31%	0.313	S	S	*	.	S	Bend	trans	-57.6	-30.7	179.9	-77.9	-172	175.3	-138	0.8	114	V834 L835	V834-R854 WeakPolarHBondContact CA-O 3.3Å; L835-R854 PolarHBondContact N-O 3.41Å
855	E	72	Confident	72.1	Confident	22 Å²	22	71.3 Å²	71.3	10%	0.103	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.9	173.8	-64.4	-173.5	-177.5	0	0	110.5	P783 G784 C795 R796 C833 Q853	P783-E855 WeakPolarHBondContact CA-OE1 3.31Å; G784-E855 PolarHBondContact N-OE1 3.12Å; C795-E855 WeakPolarHBondContact CB-OE2 3.28Å; C795-E855 PolarHBondContact N-OE2 3.22Å; R796-E855 PolarHBondContact NH1-O 2.68Å; C833-E855 WeakPolarHBondContact O-CA 3.46Å; Q853-E855 PolarHBondContact O-N 3Å
856	G	79.2	Confident	70	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	-161.3	177.9	0	0	0	0	0	111.8	N832 C833 Q848	N832-G856 CarbonylContact C-O 3.58Å; N832-G856 WeakPolarHBondContact CA-O 3.45Å; C833-G856 PolarHBondContact N-O 2.8Å; C833-G856 PolarHBondContact O-N 2.99Å; C833-G856 PolarHBondContact SG-O 3.21Å; Q848-G856 WeakPolarHBondContact O-CA 3.27Å
857	Y	83.3	Confident	67.5	Low	3 Å²	3	82.2 Å²	82.2	1%	0.012	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	150.5	176.1	-65.9	-78.9	0	0	0	111	N792 L794 V809 M814 P830 Q831 N832 C833 Q848 C859	N792-Y857 PolarHBondContact O-OH 2.88Å; L794-Y857 HydrophobicContact CD1-CD2 4.17Å; L794-Y857 HydrophobicContact CD1-CE2 3.61Å; L794-Y857 HydrophobicContact CD2-CE1 4.05Å; L794-Y857 HydrophobicContact CD2-CE2 4.23Å; L794-Y857 HydrophobicContact CG-CE1 4.44Å; L794-Y857 HydrophobicContact CG-CE2 3.93Å; V809-Y857 HydrophobicContact CB-CE2 4.13Å; V809-Y857 HydrophobicContact CG2-CE2 4.08Å; M814-Y857 HydrophobicContact CB-CD2 3.92Å; M814-Y857 HydrophobicContact CB-CE2 4.08Å; M814-Y857 HydrophobicContact CB-CG 4.46Å; M814-Y857 HydrophobicContact CG-CD2 4.25Å; M814-Y857 HydrophobicContact CG-CE2 3.9Å; M814-Y857 VanDerWaalsContact O-CD2 3.29Å; M814-Y857 WeakPolarHBondContact O-CD2 3.38Å; P830-Y857 HydrophobicContact CB-CD1 3.63Å; P830-Y857 HydrophobicContact CB-CE1 3.76Å; Q831-Y857 WeakPolarHBondContact O-CA 3.37Å; N832-Y857 WeakPolarHBondContact OD1-CE1 3.48Å; C833-Y857 PolarHBondContact SG-O 3.32Å; Q848-Y857 PolarHBondContact N-O 3.48Å; Q848-Y857 PolarHBondContact O-N 3.2Å; Q848-Y857 VanDerWaalsContact O-O 3.14Å; Y857-C859 PolarHBondContact O-N 3.36Å; Y857-C859 VanDerWaalsContact O-N 3.12Å; Y857-C859 PolarHBondContact O-SG 2.83Å; Y857-C859 VanDerWaalsContact O-SG 3.4Å
858	C	86.2	Confident	65.1	Low	0 Å²	0	87 Å²	87	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	107.1	168.7	-68.2	0	0	0	0	109.2	P821 Y822 Q831 C841	P821-C858 CarbonylContact C-O 3.58Å; P821-C858 WeakPolarHBondContact CA-O 3.19Å; Y822-C858 PolarHBondContact N-O 2.92Å; Q831-C858 HydrophobicContact CB-CB 4.37Å; Q831-C858 PolarHBondContact O-N 2.82Å; C841-C858 WeakPolarHBondContact CA-SG 3.45Å; C841-C858 HydrophobicContact CB-CB 3.68Å; C841-C858 WeakPolarHBondContact CB-SG 3.38Å; C841-C858 WeakPolarHBondContact SG-CA 3.15Å; C841-C858 WeakPolarHBondContact SG-CB 3.35Å; C841-C858 CovalentContact SG-SG 2.04Å; C841-C858 PolarHBondContact SG-SG 3.29Å
859	C	87	Confident	62.7	Low	0 Å²	0	94.9 Å²	94.9	0%	0	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	146.9	-174.6	-64.9	0	0	0	0	110.8	C815 K819 A820 Y845 S846 Q848 Y857 V861	C815-C859 WeakPolarHBondContact CA-SG 3.24Å; C815-C859 HydrophobicContact CB-CB 3.81Å; C815-C859 WeakPolarHBondContact CB-SG 3.37Å; C815-C859 WeakPolarHBondContact SG-CB 3.5Å; C815-C859 CovalentContact SG-SG 2.03Å; C815-C859 PolarHBondContact SG-SG 3.25Å; K819-C859 HydrophobicContact CB-CB 4.49Å; A820-C859 CarbonylContact O-C 3.56Å; A820-C859 WeakPolarHBondContact O-CA 3.42Å; Y845-C859 WeakPolarHBondContact CA-O 3.42Å; Y845-C859 VanDerWaalsContact CD1-C 3.5Å; S846-C859 PolarHBondContact N-O 3.37Å; S846-C859 PolarHBondContact O-N 2.95Å; Q848-C859 HydrophobicContact CB-CB 3.98Å; Q848-C859 HydrophobicContact CG-CB 4.25Å; Q848-C859 PolarHBondContact NE2-O 2.94Å; Y857-C859 PolarHBondContact O-N 3.36Å; Y857-C859 VanDerWaalsContact O-N 3.12Å; Y857-C859 PolarHBondContact O-SG 2.83Å; Y857-C859 VanDerWaalsContact O-SG 3.4Å; C859-V861 PolarHBondContact O-N 2.68Å
860	T	83.2	Confident	60.6	Low	27 Å²	27	104.4 Å²	104.4	17%	0.166	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.6	137.2	179.7	52.7	0	0	0	0	111.1	K819 A820 Y845 Q848 Y862	K819-T860 VanDerWaalsContact CD-O 3.23Å; K819-T860 WeakPolarHBondContact CD-O 3.41Å; K819-T860 WeakPolarHBondContact CE-O 3.42Å; K819-T860 PolarHBondContact NZ-O 3.4Å; A820-T860 HydrophobicContact CB-CG2 4.12Å; A820-T860 PolarHBondContact N-OG1 3.37Å; A820-T860 VanDerWaalsContact N-OG1 3.09Å; A820-T860 PolarHBondContact O-N 3.02Å; Y845-T860 HydrophobicContact CD1-CG2 4.11Å; Y845-T860 HydrophobicContact CE1-CG2 3.5Å; Q848-T860 PolarHBondContact NE2-O 3.03Å; T860-Y862 WeakPolarHBondContact CB-O 3.44Å; T860-Y862 PolarHBondContact O-N 2.83Å; T860-Y862 PolarHBondContact OG1-O 2.85Å
861	V	76.8	Confident	58.8	Low	64 Å²	64	106.8 Å²	106.8	39%	0.388	49%	0.494	S	S	.	.	S	Bend	trans	-63.1	-38.3	174.6	172.9	0	0	0	0	110	K819 D844 C859	K819-V861 WeakPolarHBondContact CE-O 3.27Å; K819-V861 PolarHBondContact NZ-O 2.84Å; D844-V861 WeakPolarHBondContact O-CG2 3Å; D844-V861 PolarHBondContact O-N 2.86Å; C859-V861 PolarHBondContact O-N 2.68Å
862	Y	63.5	Low	57.1	Low	147 Å²	147	110.8 Å²	110.8	58%	0.576	51%	0.511	S	S	*	.	S	Bend	trans	-93	154.3	-179.7	-52.4	-72.6	0	0	0	113.7	T860	T860-Y862 WeakPolarHBondContact CB-O 3.44Å; T860-Y862 PolarHBondContact O-N 2.83Å; T860-Y862 PolarHBondContact OG1-O 2.85Å
863	R	53.2	Low	55.5	Low	197 Å²	197	112.3 Å²	112.3	74%	0.743	51%	0.51	S	S	*	.			trans	-83.2	127.1	172.8	-78.4	-179.2	170.3	165.2	0.3	111	G818 K819 R865	G818-R863 CarbonylContact O-C 3.59Å; G818-R863 VanDerWaalsContact O-CA 3.22Å; G818-R863 WeakPolarHBondContact O-CA 3.4Å; K819-R863 HydrophobicContact CG-CG 4.45Å; R863-R865 PolarHBondContact O-N 2.92Å
864	K	43.1	Very low	54	Low	123 Å²	123	115 Å²	115	54%	0.535	53%	0.531	S	S	.	.			trans	-61.1	109.4	156.6	-98.6	-176.4	174.2	174.8	0	108.4	G818 L866 K899	G818-K864 PolarHBondContact O-N 2.78Å; K864-L866 PolarHBondContact O-N 2.78Å; K864-K899 PolarHBondContact NZ-O 3.04Å
865	R	40.7	Very low	52	Low	239 Å²	239	110.6 Å²	110.6	90%	0.902	53%	0.528	S	S	*	.			trans	-74.9	104.9	159.6	-134.7	-179.2	-171.8	-178	2.8	106.7	R863 L867	R863-R865 PolarHBondContact O-N 2.92Å; R865-L867 PolarHBondContact O-N 3.35Å
866	L	39.7	Very low	50.2	Low	146 Å²	146	114.5 Å²	114.5	76%	0.764	56%	0.558	S	S	*	*			trans	-62.3	115	166.5	-96.1	146.8	0	0	0	107.6	K864 T868	K864-L866 PolarHBondContact O-N 2.78Å; L866-T868 PolarHBondContact O-N 3.21Å
867	L	33.9	Very low	48	Very low	160 Å²	160	119.7 Å²	119.7	84%	0.838	59%	0.594	S	S	*	*			trans	-74.3	67.8	167.5	-87.3	159.3	0	0	0	109.2	R865 F869	R865-L867 PolarHBondContact O-N 3.35Å; L867-F869 PolarHBondContact O-N 2.86Å
868	T	34.4	Very low	45.5	Very low	118 Å²	118	125.7 Å²	125.7	72%	0.724	64%	0.635	S	S	*	*			trans	-76.8	94.6	163.7	31.8	0	0	0	0	108.7	L866 Y870	L866-T868 PolarHBondContact O-N 3.21Å; T868-Y870 PolarHBondContact O-N 3.43Å
869	F	32.3	Very low	42.8	Very low	193 Å²	193	132.4 Å²	132.4	85%	0.846	67%	0.671	S	S	*	*			trans	-59.1	100.9	160	-107.2	-103.8	0	0	0	108.7	L867	L867-F869 PolarHBondContact O-N 2.86Å
870	Y	31	Very low	40.3	Very low	213 Å²	213	140.2 Å²	140.2	84%	0.835	71%	0.707	S	S	*	*			trans	-164.5	97.8	145.8	-124.5	-94.1	0	0	0	110.6	T868	T868-Y870 PolarHBondContact O-N 3.43Å
871	V	30.8	Very low	37.8	Very low	112 Å²	112	145.2 Å²	145.2	68%	0.679	74%	0.738	S	S	*	*				54.8	107.1	127.3	-180	0	0	0	0	118.3
872	L	29.9	Very low	36.1	Very low	129 Å²	129	149.4 Å²	149.4	68%	0.675	76%	0.757	S	S	*	*			trans	103.2	119.5	145.9	-66.8	172.1	0	0	0	123.6
873	F	29.7	Very low	35.4	Very low	183 Å²	183	147.9 Å²	147.9	80%	0.803	76%	0.758	S	S	*	*			trans	76.9	144.2	144.4	-60.4	-53	0	0	0	124.2
874	V	32.7	Very low	35.6	Very low	126 Å²	126	140.1 Å²	140.1	76%	0.764	74%	0.737	S	S	*	*			trans	81.8	82.5	159.2	-156.6	0	0	0	0	120.4
875	T	30.5	Very low	36.8	Very low	121 Å²	121	137.6 Å²	137.6	74%	0.742	73%	0.728	S	S	*	*			trans	43	136.9	131.5	67	0	0	0	0	124.4
876	S	33.8	Very low	38.3	Very low	103 Å²	103	126.3 Å²	126.3	72%	0.72	69%	0.686	S	S	*	*			trans	103.8	104.7	145.7	87.6	0	0	0	0	118
877	S	32.8	Very low	39.8	Very low	109 Å²	109	121 Å²	121	76%	0.762	66%	0.661	S	S	*	*			trans	36.3	105.1	139.1	53.9	0	0	0	0	120.1
878	C	30.8	Very low	41.4	Very low	129 Å²	129	120.7 Å²	120.7	87%	0.872	66%	0.66	S	S	*	*				-148.3	119.2	126	-104.1	0	0	0	0	109.3
879	D	29.6	Very low	42.7	Very low	141 Å²	141	121.7 Å²	121.7	75%	0.754	66%	0.661	S	S	*	*			trans	-69.7	128.1	178.3	-179.9	14.8	0	0	0	110.8
880	H	33.1	Very low	44.4	Very low	164 Å²	164	114.9 Å²	114.9	76%	0.759	63%	0.632	S	S	*	*			trans	-159.7	106.9	163.9	-94.7	-54.7	0	0	0	111.7	L882	H880-L882 PolarHBondContact O-N 2.86Å
881	T	32.1	Very low	46.1	Very low	132 Å²	132	109.4 Å²	109.4	81%	0.81	62%	0.617	S	S	*	*			trans	-59	84.6	164.9	37	0	0	0	0	112.4
882	L	40.6	Very low	48.4	Very low	152 Å²	152	107.7 Å²	107.7	80%	0.796	60%	0.6	S	S	*	*			trans	-89.1	111.9	171.9	-88.1	161.3	0	0	0	110.7	H880 A884	H880-L882 PolarHBondContact O-N 2.86Å; L882-A884 PolarHBondContact O-N 3.3Å
883	L	49	Very low	50.5	Low	115 Å²	115	103.8 Å²	103.8	60%	0.602	58%	0.577	S	S	*	*			trans	-56.9	133.5	177.1	-73	103.1	0	0	0	111.7
884	A	57.3	Low	52.2	Low	35 Å²	35	99.5 Å²	99.5	29%	0.289	56%	0.561	S	S	.	*			trans	-59.4	141.1	167.4	0	0	0	0	0	110.5	L882 C886 N889 T923	L882-A884 PolarHBondContact O-N 3.3Å; A884-C886 VanDerWaalsContact C-N 3.33Å; A884-C886 VanDerWaalsContact CB-O 3.23Å; A884-C886 WeakPolarHBondContact CB-O 3.5Å; A884-N889 WeakPolarHBondContact CB-OD1 3.34Å; A884-T923 WeakPolarHBondContact O-CB 3.48Å; A884-T923 WeakPolarHBondContact O-CG2 3.47Å; A884-T923 PolarHBondContact O-OG1 3.08Å
885	L	67.1	Low	53.6	Low	69 Å²	69	95 Å²	95	36%	0.361	53%	0.533	S	S	.	.	S	Bend	trans	-71.8	-31.4	177.5	-73	165.1	0	0	0	112.1	F892 P901 Y931	L885-F892 HydrophobicContact CD1-CD1 4.39Å; L885-F892 HydrophobicContact CD1-CE1 4.28Å; L885-P901 HydrophobicContact CD1-CG 4.13Å; L885-Y931 HydrophobicContact CB-CD2 4.35Å; L885-Y931 HydrophobicContact CD2-CD2 4.13Å; L885-Y931 HydrophobicContact CD2-CE2 3.59Å
886	C	73.5	Confident	54.7	Low	2 Å²	2	93.6 Å²	93.6	1%	0.014	52%	0.524	C	S	.	.	S	Bend	trans	-111.1	144.9	172.7	-67.5	0	0	0	0	109.9	A884 E890 T923 C933	A884-C886 VanDerWaalsContact C-N 3.33Å; A884-C886 VanDerWaalsContact CB-O 3.23Å; A884-C886 WeakPolarHBondContact CB-O 3.5Å; C886-E890 HydrophobicContact CB-CB 3.98Å; C886-E890 VanDerWaalsContact CB-O 3.31Å; C886-E890 WeakPolarHBondContact CB-O 3.47Å; C886-T923 VanDerWaalsContact C-CG2 3.49Å; C886-C933 WeakPolarHBondContact CA-SG 3.47Å; C886-C933 HydrophobicContact CB-CB 3.69Å; C886-C933 WeakPolarHBondContact CB-SG 2.99Å; C886-C933 WeakPolarHBondContact SG-CB 3.36Å; C886-C933 CovalentContact SG-SG 2.02Å; C886-C933 PolarHBondContact SG-SG 3.23Å
887	P	71.5	Confident	55.3	Low	36 Å²	36	93 Å²	93	23%	0.234	52%	0.516	C	S	.	.	G	3₁₀ helix	trans	-53.9	149.3	168.2	-24.4	35	0	0	0	111.2	N889 E890 K921 T923	P887-N889 PolarHBondContact O-N 2.97Å; P887-E890 PolarHBondContact O-N 3.06Å; P887-K921 HydrophobicContact CG-CB 3.95Å; P887-K921 HydrophobicContact CG-CD 4.2Å; P887-T923 HydrophobicContact CB-CG2 4.49Å; P887-T923 HydrophobicContact CG-CG2 4.04Å
888	N	67.1	Low	56.3	Low	152 Å²	152	89.5 Å²	89.5	81%	0.813	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	56.1	23.4	173.1	-51.9	-24.5	0	0	0	115.8	E890	N888-E890 VanDerWaalsContact C-N 3.28Å; N888-E890 PolarHBondContact O-N 2.89Å
889	N	60.8	Low	57.6	Low	140 Å²	140	89.5 Å²	89.5	75%	0.749	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	57.9	31.4	-175.7	-66.1	-16.9	0	0	0	114.7	A884 P887	A884-N889 WeakPolarHBondContact CB-OD1 3.34Å; P887-N889 PolarHBondContact O-N 2.97Å
890	E	67.9	Low	58.8	Low	50 Å²	50	83.7 Å²	83.7	23%	0.234	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-63.3	152.4	171.4	-67.6	173.5	-159.5	0	0	112.7	C886 P887 N888 F892 K921 C933	C886-E890 HydrophobicContact CB-CB 3.98Å; C886-E890 VanDerWaalsContact CB-O 3.31Å; C886-E890 WeakPolarHBondContact CB-O 3.47Å; P887-E890 PolarHBondContact O-N 3.06Å; N888-E890 VanDerWaalsContact C-N 3.28Å; N888-E890 PolarHBondContact O-N 2.89Å; E890-F892 PolarHBondContact O-N 3.44Å; E890-K921 IonicContact OE1-NZ 2.77Å; E890-K921 PolarHBondContact OE1-NZ 3.29Å; E890-K921 IonicContact OE2-NZ 2.65Å; E890-K921 PolarHBondContact OE2-NZ 2.84Å; E890-C933 HydrophobicContact CB-CB 4.44Å
891	D	68.2	Low	60.5	Low	97 Å²	97	77.8 Å²	77.8	52%	0.519	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	129.9	175.6	-74	-46.6	0	0	0	110.8	G934	D891-G934 PolarHBondContact N-O 2.73Å; D891-G934 PolarHBondContact O-N 2.97Å
892	F	77.9	Confident	62.7	Low	77 Å²	77	74.5 Å²	74.5	34%	0.338	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	143.2	169.9	52.1	-93.4	0	0	0	111	L885 E890 I894 P901 C932	L885-F892 HydrophobicContact CD1-CD1 4.39Å; L885-F892 HydrophobicContact CD1-CE1 4.28Å; E890-F892 PolarHBondContact O-N 3.44Å; F892-I894 HydrophobicContact CD2-CG1 3.98Å; F892-I894 HydrophobicContact CE2-CD1 4.24Å; F892-I894 HydrophobicContact CE2-CG1 3.75Å; F892-I894 PolarHBondContact O-N 3.1Å; F892-P901 HydrophobicContact CB-CB 4.26Å; F892-P901 HydrophobicContact CD2-CB 3.56Å; F892-P901 HydrophobicContact CD2-CG 3.67Å; F892-P901 HydrophobicContact CE2-CB 4.12Å; F892-P901 HydrophobicContact CE2-CG 3.67Å; F892-P901 HydrophobicContact CG-CB 3.99Å; F892-P901 HydrophobicContact CG-CG 4.27Å; F892-P901 HydrophobicContact CZ-CG 4.29Å; F892-C932 CarbonylContact C-O 3.59Å; F892-C932 WeakPolarHBondContact CA-O 3.31Å
893	Y	74.2	Confident	64.6	Low	47 Å²	47	69.6 Å²	69.6	18%	0.184	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-65.1	118.7	171.6	178.7	-103.7	0	0	0	109.6	D895 P901 K902 P915 Y918 C932	Y893-D895 HydrophobicContact CE1-CB 4.27Å; Y893-P901 WeakPolarHBondContact O-CA 3.2Å; Y893-K902 HydrophobicContact CD1-CB 3.64Å; Y893-K902 HydrophobicContact CD1-CD 3.82Å; Y893-K902 HydrophobicContact CD1-CG 4.35Å; Y893-K902 HydrophobicContact CE1-CB 4.36Å; Y893-K902 HydrophobicContact CE1-CD 3.99Å; Y893-K902 PolarHBondContact O-N 3.39Å; Y893-P915 HydrophobicContact CD1-CG 3.74Å; Y893-P915 HydrophobicContact CD2-CB 4.4Å; Y893-P915 HydrophobicContact CD2-CG 3.85Å; Y893-P915 HydrophobicContact CE1-CG 3.59Å; Y893-P915 HydrophobicContact CE2-CB 4.22Å; Y893-P915 HydrophobicContact CE2-CG 3.7Å; Y893-P915 HydrophobicContact CG-CG 3.86Å; Y893-Y918 AromaticContact CD2-CD2 3.94Å; Y893-Y918 HydrophobicContact CD2-CD2 3.94Å; Y893-Y918 AromaticContact CD2-CE2 3.6Å; Y893-Y918 HydrophobicContact CD2-CE2 3.6Å; Y893-Y918 AromaticContact CD2-CZ 3.95Å; Y893-Y918 HydrophobicContact CG-CD2 4.31Å; Y893-Y918 HydrophobicContact CG-CE2 4.28Å; Y893-Y918 VanDerWaalsContact N-CE1 3.33Å; Y893-C932 PolarHBondContact N-O 3.43Å
894	I	65.3	Low	66	Low	92 Å²	92	64.7 Å²	64.7	47%	0.472	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-82.7	115.6	170.2	-60.6	179	0	0	0	107.7	F892 T896 A900	F892-I894 HydrophobicContact CD2-CG1 3.98Å; F892-I894 HydrophobicContact CE2-CD1 4.24Å; F892-I894 HydrophobicContact CE2-CG1 3.75Å; F892-I894 PolarHBondContact O-N 3.1Å; I894-T896 PolarHBondContact O-N 2.9Å; I894-A900 WeakPolarHBondContact CA-O 3.4Å
895	D	62	Low	67	Low	31 Å²	31	64.6 Å²	64.6	17%	0.166	36%	0.356	C	S	.	.			trans	-63.3	129.4	175.9	177.5	-85.3	0	0	0	110.8	Y893 V897 T898 K899 A900 K902	Y893-D895 HydrophobicContact CE1-CB 4.27Å; D895-V897 PolarHBondContact O-N 3.46Å; D895-V897 WeakPolarHBondContact OD1-CB 3.45Å; D895-V897 PolarHBondContact OD1-N 2.92Å; D895-T898 WeakPolarHBondContact CB-OG1 3.42Å; D895-T898 PolarHBondContact OD1-N 3.43Å; D895-T898 PolarHBondContact OD1-OG1 2.96Å; D895-T898 VanDerWaalsContact OD1-OG1 3.07Å; D895-K899 WeakPolarHBondContact O-CA 3.4Å; D895-K899 PolarHBondContact O-N 2.82Å; D895-A900 PolarHBondContact N-O 2.94Å; D895-K902 HydrophobicContact CB-CB 4.31Å
896	T	54.7	Low	67.2	Low	92 Å²	92	64.6 Å²	64.6	56%	0.564	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.6	-171	47	0	0	0	0	112.9	I894 K899	I894-T896 PolarHBondContact O-N 2.9Å; T896-K899 WeakPolarHBondContact O-CE 3.29Å; T896-K899 PolarHBondContact O-NZ 3.48Å
897	V	46	Very low	66.7	Low	90 Å²	90	71 Å²	71	55%	0.545	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-51.4	-179.4	-174.3	0	0	0	0	110.3	D895	D895-V897 PolarHBondContact O-N 3.46Å; D895-V897 WeakPolarHBondContact OD1-CB 3.45Å; D895-V897 PolarHBondContact OD1-N 2.92Å
898	T	54.9	Low	65.8	Low	37 Å²	37	72.1 Å²	72.1	23%	0.227	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-17.5	-173.1	62	0	0	0	0	114.8	I825 D895 A900	I825-T898 HydrophobicContact CG2-CG2 3.48Å; I825-T898 VanDerWaalsContact CG2-CG2 3.48Å; D895-T898 WeakPolarHBondContact CB-OG1 3.42Å; D895-T898 PolarHBondContact OD1-N 3.43Å; D895-T898 PolarHBondContact OD1-OG1 2.96Å; D895-T898 VanDerWaalsContact OD1-OG1 3.07Å; T898-A900 PolarHBondContact O-N 3.23Å; T898-A900 PolarHBondContact OG1-N 3.41Å
899	K	58.1	Low	64.8	Low	128 Å²	128	74.2 Å²	74.2	56%	0.557	40%	0.401	S	S	*	.			trans	55.7	28.4	-172.3	-48.9	-53.7	-170.6	-163.9	0	113.9	K864 D895 T896	K864-K899 PolarHBondContact NZ-O 3.04Å; D895-K899 WeakPolarHBondContact O-CA 3.4Å; D895-K899 PolarHBondContact O-N 2.82Å; T896-K899 WeakPolarHBondContact O-CE 3.29Å; T896-K899 PolarHBondContact O-NZ 3.48Å
900	A	54	Low	64	Low	19 Å²	19	70.8 Å²	70.8	16%	0.157	40%	0.399	C	S	.	.	S	Bend	trans	-119.6	162.4	178.3	0	0	0	0	0	111.1	I894 D895 T898 K902	I894-A900 WeakPolarHBondContact CA-O 3.4Å; D895-A900 PolarHBondContact N-O 2.94Å; T898-A900 PolarHBondContact O-N 3.23Å; T898-A900 PolarHBondContact OG1-N 3.41Å; A900-K902 PolarHBondContact O-N 3.12Å
901	P	68.3	Low	62.6	Low	40 Å²	40	77 Å²	77	26%	0.26	43%	0.425	S	S	.	.	B	Isolated β-bridge	trans	-60.2	128.5	172	-16.4	28.6	0	0	0	110.5	L885 F892 Y893 G903 Y931	L885-P901 HydrophobicContact CD1-CG 4.13Å; F892-P901 HydrophobicContact CB-CB 4.26Å; F892-P901 HydrophobicContact CD2-CB 3.56Å; F892-P901 HydrophobicContact CD2-CG 3.67Å; F892-P901 HydrophobicContact CE2-CB 4.12Å; F892-P901 HydrophobicContact CE2-CG 3.67Å; F892-P901 HydrophobicContact CG-CB 3.99Å; F892-P901 HydrophobicContact CG-CG 4.27Å; F892-P901 HydrophobicContact CZ-CG 4.29Å; Y893-P901 WeakPolarHBondContact O-CA 3.2Å; P901-G903 PolarHBondContact O-N 3.03Å; P901-Y931 HydrophobicContact CB-CD1 3.71Å; P901-Y931 HydrophobicContact CB-CE1 3.99Å
902	K	77.8	Confident	62	Low	64 Å²	64	80.5 Å²	80.5	28%	0.278	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-74.1	117.5	178	-170.2	-177.7	-170.2	-169	0	110.7	Y893 D895 A900 Q913 Y931 C932	Y893-K902 HydrophobicContact CD1-CB 3.64Å; Y893-K902 HydrophobicContact CD1-CD 3.82Å; Y893-K902 HydrophobicContact CD1-CG 4.35Å; Y893-K902 HydrophobicContact CE1-CB 4.36Å; Y893-K902 HydrophobicContact CE1-CD 3.99Å; Y893-K902 PolarHBondContact O-N 3.39Å; D895-K902 HydrophobicContact CB-CB 4.31Å; A900-K902 PolarHBondContact O-N 3.12Å; K902-Q913 VanDerWaalsContact CE-O 3.27Å; K902-Q913 WeakPolarHBondContact CE-O 3.18Å; K902-Q913 PolarHBondContact NZ-O 3.17Å; K902-Y931 WeakPolarHBondContact O-CA 3.47Å; K902-C932 HydrophobicContact CB-CB 4.42Å; K902-C932 PolarHBondContact O-N 3.21Å
903	G	80.2	Confident	61.7	Low	48 Å²	48	79.6 Å²	79.6	50%	0.495	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	155.3	170.2	0	0	0	0	0	112.6	P901 G930	P901-G903 PolarHBondContact O-N 3.03Å; G903-G930 CarbonylContact C-O 3.58Å; G903-G930 WeakPolarHBondContact CA-O 3.18Å
904	C	79.9	Confident	61.9	Low	13 Å²	13	78.2 Å²	78.2	9%	0.088	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	168.7	177.9	58.7	0	0	0	0	110.3	Q913 C920 T929 G930 Y931	C904-Q913 HydrophobicContact CB-CB 4.34Å; C904-C920 HydrophobicContact CB-CB 3.8Å; C904-C920 WeakPolarHBondContact CB-SG 3.36Å; C904-C920 WeakPolarHBondContact SG-CA 3.47Å; C904-C920 WeakPolarHBondContact SG-CB 3.34Å; C904-C920 CovalentContact SG-SG 2.03Å; C904-C920 PolarHBondContact SG-SG 3.46Å; C904-T929 CarbonylContact O-C 3.56Å; C904-T929 WeakPolarHBondContact O-CA 3.43Å; C904-G930 PolarHBondContact N-O 2.9Å; C904-G930 PolarHBondContact O-N 3.39Å; C904-G930 PolarHBondContact SG-O 3.2Å; C904-Y931 PolarHBondContact SG-N 3.04Å; C904-Y931 PolarHBondContact SG-O 2.81Å
905	S	78.7	Confident	62.3	Low	33 Å²	33	75.5 Å²	75.5	23%	0.231	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.4	174.9	-178	0	0	0	0	111.1	M907 Q913 T928	S905-M907 PolarHBondContact O-N 3.26Å; S905-M907 PolarHBondContact OG-N 3.49Å; S905-Q913 PolarHBondContact O-OE1 2.94Å; S905-Q913 VanDerWaalsContact O-OE1 3.14Å; S905-T928 WeakPolarHBondContact CA-O 3.48Å; S905-T928 PolarHBondContact OG-O 3.25Å
906	L	70.9	Confident	62.6	Low	68 Å²	68	77 Å²	77	36%	0.356	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-4.9	176.5	-68.8	151.9	0	0	0	112.5	T922 L927 T928 T929	L906-T922 HydrophobicContact CD1-CG2 3.47Å; L906-T922 VanDerWaalsContact CD1-CG2 3.47Å; L906-L927 VanDerWaalsContact CD1-O 3.26Å; L906-L927 WeakPolarHBondContact CD1-O 3.32Å; L906-T928 PolarHBondContact N-O 2.78Å; L906-T929 WeakPolarHBondContact CD1-O 2.98Å
907	M	62.9	Low	63.3	Low	138 Å²	138	75.7 Å²	75.7	68%	0.68	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	18.5	-175.1	-56.6	-155.3	-54.2	0	0	114.2	S905 T928	S905-M907 PolarHBondContact O-N 3.26Å; S905-M907 PolarHBondContact OG-N 3.49Å; M907-T928 HydrophobicContact CE-CG2 3.75Å; M907-T928 HydrophobicContact CG-CG2 4.1Å; M907-T928 HydrophobicContact SD-CG2 3.51Å; M907-T928 VanDerWaalsContact SD-CG2 3.51Å
908	S	52.5	Low	64.9	Low	58 Å²	58	75 Å²	75	41%	0.406	43%	0.431	S	S	.	.			trans	-123.1	82.6	-179.2	-75.3	0	0	0	0	113.1	G910 Q913	S908-G910 PolarHBondContact O-N 3.48Å; S908-Q913 PolarHBondContact OG-NE2 2.83Å
909	H	45.5	Very low	66	Low	196 Å²	196	75.7 Å²	75.7	91%	0.907	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	95.3	158.3	-68.4	-90.2	0	0	0	109.1
910	G	43.6	Very low	67.3	Low	69 Å²	69	71.3 Å²	71.3	71%	0.711	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	154	-17.1	169.9	0	0	0	0	0	118.2	S908	S908-G910 PolarHBondContact O-N 3.48Å
911	F	40.3	Very low	68.6	Low	179 Å²	179	73.3 Å²	73.3	79%	0.785	43%	0.427	S	S	*	.	S	Bend	trans	-124.2	142	177.3	-77	-90.5	0	0	0	111.3	Q913	F911-Q913 VanDerWaalsContact C-N 3.31Å; F911-Q913 PolarHBondContact O-N 3.37Å
912	Q	54.7	Low	69.1	Low	171 Å²	171	73.3 Å²	73.3	80%	0.799	43%	0.427	S	S	*	.			trans	-77.6	73.5	-168.9	-163.7	174.9	6.7	0	0	112.5
913	Q	71	Confident	68.8	Low	58 Å²	58	72.5 Å²	72.5	27%	0.271	43%	0.427	S	S	.	.			trans	-71.5	-39.2	-173.3	-67.6	-175.8	-1.9	0	0	113.5	K902 C904 S905 S908 F911	K902-Q913 VanDerWaalsContact CE-O 3.27Å; K902-Q913 WeakPolarHBondContact CE-O 3.18Å; K902-Q913 PolarHBondContact NZ-O 3.17Å; C904-Q913 HydrophobicContact CB-CB 4.34Å; S905-Q913 PolarHBondContact O-OE1 2.94Å; S905-Q913 VanDerWaalsContact O-OE1 3.14Å; S908-Q913 PolarHBondContact OG-NE2 2.83Å; F911-Q913 VanDerWaalsContact C-N 3.31Å; F911-Q913 PolarHBondContact O-N 3.37Å
914	C	77.9	Confident	68.2	Low	18 Å²	18	76.9 Å²	76.9	12%	0.122	43%	0.428	C	S	.	.	S	Bend	trans	-101.1	142.1	176.1	-65.1	0	0	0	0	111.8	Y918 C932	C914-Y918 WeakPolarHBondContact CB-O 3.31Å; C914-C932 WeakPolarHBondContact CA-SG 3.42Å; C914-C932 HydrophobicContact CB-CB 3.79Å; C914-C932 WeakPolarHBondContact CB-SG 3.45Å; C914-C932 WeakPolarHBondContact SG-CA 3.02Å; C914-C932 WeakPolarHBondContact SG-CB 3.45Å; C914-C932 CovalentContact SG-SG 2.05Å; C914-C932 PolarHBondContact SG-SG 3.07Å
915	P	74.5	Confident	67.5	Low	35 Å²	35	82.4 Å²	82.4	23%	0.227	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-60.1	154.6	171.7	-20.9	33.3	0	0	0	111.7	Y893 G917 Y918	Y893-P915 HydrophobicContact CD1-CG 3.74Å; Y893-P915 HydrophobicContact CD2-CB 4.4Å; Y893-P915 HydrophobicContact CD2-CG 3.85Å; Y893-P915 HydrophobicContact CE1-CG 3.59Å; Y893-P915 HydrophobicContact CE2-CB 4.22Å; Y893-P915 HydrophobicContact CE2-CG 3.7Å; Y893-P915 HydrophobicContact CG-CG 3.86Å; P915-G917 PolarHBondContact O-N 2.92Å; P915-Y918 HydrophobicContact CB-CD2 4.43Å; P915-Y918 PolarHBondContact O-N 3.5Å
916	A	68.3	Low	66.8	Low	62 Å²	62	84.7 Å²	84.7	51%	0.512	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	127.7	177.6	0	0	0	0	0	111.3
917	G	68.5	Low	66.5	Low	66 Å²	66	85 Å²	85	68%	0.68	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.1	-10	-172.1	0	0	0	0	0	114.3	P915 G934	P915-G917 PolarHBondContact O-N 2.92Å; G917-G934 WeakPolarHBondContact O-CA 3.02Å
918	Y	79.5	Confident	66.8	Low	76 Å²	76	81.9 Å²	81.9	30%	0.298	48%	0.484	S	S	.	.			trans	-121.9	148.1	176.3	-62.5	-95.1	0	0	0	111.4	Y893 C914 P915 C932 C933 G934	Y893-Y918 AromaticContact CD2-CD2 3.94Å; Y893-Y918 HydrophobicContact CD2-CD2 3.94Å; Y893-Y918 AromaticContact CD2-CE2 3.6Å; Y893-Y918 HydrophobicContact CD2-CE2 3.6Å; Y893-Y918 AromaticContact CD2-CZ 3.95Å; Y893-Y918 HydrophobicContact CG-CD2 4.31Å; Y893-Y918 HydrophobicContact CG-CE2 4.28Å; Y893-Y918 VanDerWaalsContact N-CE1 3.33Å; C914-Y918 WeakPolarHBondContact CB-O 3.31Å; P915-Y918 HydrophobicContact CB-CD2 4.43Å; P915-Y918 PolarHBondContact O-N 3.5Å; Y918-C932 WeakPolarHBondContact CD1-O 3.01Å; Y918-C933 CarbonylContact C-O 3.58Å; Y918-C933 WeakPolarHBondContact CA-O 3.42Å; Y918-G934 VanDerWaalsContact CD1-N 3.33Å
919	S	79.3	Confident	67.7	Low	50 Å²	50	82.5 Å²	82.5	35%	0.35	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.3	-176.2	58.5	0	0	0	0	110.1	K921 C933	S919-K921 PolarHBondContact O-N 3.32Å; S919-K921 VanDerWaalsContact OG-CE 3.23Å; S919-K921 WeakPolarHBondContact OG-CE 3.01Å; S919-C933 PolarHBondContact N-O 3.17Å; S919-C933 PolarHBondContact O-N 2.04Å; S919-C933 PolarHBondContact OG-O 2.89Å
920	C	84.8	Confident	69.5	Low	37 Å²	37	73.4 Å²	73.4	25%	0.25	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	115.3	-179.8	-168	0	0	0	0	110.4	C904	C904-C920 HydrophobicContact CB-CB 3.8Å; C904-C920 WeakPolarHBondContact CB-SG 3.36Å; C904-C920 WeakPolarHBondContact SG-CA 3.47Å; C904-C920 WeakPolarHBondContact SG-CB 3.34Å; C904-C920 CovalentContact SG-SG 2.03Å; C904-C920 PolarHBondContact SG-SG 3.46Å
921	K	82.1	Confident	71.5	Confident	60 Å²	60	73.4 Å²	73.4	26%	0.261	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	154.2	-179.8	-65.6	-178.8	177.1	160.9	0	111	P887 E890 S919 G930 Y931 C933	P887-K921 HydrophobicContact CG-CB 3.95Å; P887-K921 HydrophobicContact CG-CD 4.2Å; E890-K921 IonicContact OE1-NZ 2.77Å; E890-K921 PolarHBondContact OE1-NZ 3.29Å; E890-K921 IonicContact OE2-NZ 2.65Å; E890-K921 PolarHBondContact OE2-NZ 2.84Å; S919-K921 PolarHBondContact O-N 3.32Å; S919-K921 VanDerWaalsContact OG-CE 3.23Å; S919-K921 WeakPolarHBondContact OG-CE 3.01Å; K921-G930 CarbonylContact O-C 3.5Å; K921-G930 VanDerWaalsContact O-CA 3.25Å; K921-G930 WeakPolarHBondContact O-CA 3.33Å; K921-Y931 PolarHBondContact N-O 2.03Å; K921-Y931 PolarHBondContact O-N 3.37Å; K921-C933 HydrophobicContact CB-CB 4.09Å; K921-C933 HydrophobicContact CD-CB 3.96Å; K921-C933 HydrophobicContact CG-CB 4.26Å
922	T	77.6	Confident	73.6	Confident	41 Å²	41	64.9 Å²	64.9	25%	0.252	39%	0.386	S	S	.	.			trans	-135.1	150	173.5	-173.6	0	0	0	0	110.2	L906 R924	L906-T922 HydrophobicContact CD1-CG2 3.47Å; L906-T922 VanDerWaalsContact CD1-CG2 3.47Å; T922-R924 WeakPolarHBondContact CG2-O 2.97Å; T922-R924 PolarHBondContact OG1-N 3.23Å
923	T	71.2	Confident	75.1	Confident	46 Å²	46	56.8 Å²	56.8	28%	0.282	35%	0.348	S	S	.	.	S	Bend	trans	-100.6	4.5	170.8	51.5	0	0	0	0	112.8	A884 C886 P887	A884-T923 WeakPolarHBondContact O-CB 3.48Å; A884-T923 WeakPolarHBondContact O-CG2 3.47Å; A884-T923 PolarHBondContact O-OG1 3.08Å; C886-T923 VanDerWaalsContact C-CG2 3.49Å; P887-T923 HydrophobicContact CB-CG2 4.49Å; P887-T923 HydrophobicContact CG-CG2 4.04Å
924	R	68.4	Low	75	Confident	140 Å²	140	54.2 Å²	54.2	53%	0.528	34%	0.337	S	S	.	.	S	Bend	trans	-112.3	114.2	174.5	-72.5	-174	175.8	179.9	0.2	111.3	T922 L927	T922-R924 WeakPolarHBondContact CG2-O 2.97Å; T922-R924 PolarHBondContact OG1-N 3.23Å; R924-L927 HydrophobicContact CB-CB 4.47Å; R924-L927 HydrophobicContact CB-CD1 4.34Å; R924-L927 HydrophobicContact CB-CD2 4.43Å
925	P	65.3	Low	73.9	Confident	130 Å²	130	56.2 Å²	56.2	84%	0.844	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	139.9	169.8	-23.7	34.1	0	0	0	111.6	L927	P925-L927 PolarHBondContact O-N 3.04Å
926	G	63.2	Low	72.3	Confident	81 Å²	81	61.9 Å²	61.9	84%	0.835	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-3.1	175.2	0	0	0	0	0	116.7
927	L	65	Low	70.7	Confident	75 Å²	75	62.4 Å²	62.4	39%	0.393	39%	0.392	S	S	.	.			trans	-80.3	138.1	172.2	-113.6	70.8	0	0	0	111.5	L906 R924 P925 T929	L906-L927 VanDerWaalsContact CD1-O 3.26Å; L906-L927 WeakPolarHBondContact CD1-O 3.32Å; R924-L927 HydrophobicContact CB-CB 4.47Å; R924-L927 HydrophobicContact CB-CD1 4.34Å; R924-L927 HydrophobicContact CB-CD2 4.43Å; P925-L927 PolarHBondContact O-N 3.04Å; L927-T929 VanDerWaalsContact C-N 3.26Å
928	T	69.8	Low	69.3	Low	72 Å²	72	61.8 Å²	61.8	44%	0.442	39%	0.385	S	S	.	.	S	Bend	trans	-85.9	1.1	173.5	56.7	0	0	0	0	113.2	S905 L906 M907	S905-T928 WeakPolarHBondContact CA-O 3.48Å; S905-T928 PolarHBondContact OG-O 3.25Å; L906-T928 PolarHBondContact N-O 2.78Å; M907-T928 HydrophobicContact CE-CG2 3.75Å; M907-T928 HydrophobicContact CG-CG2 4.1Å; M907-T928 HydrophobicContact SD-CG2 3.51Å; M907-T928 VanDerWaalsContact SD-CG2 3.51Å
929	T	72.3	Confident	67.2	Low	70 Å²	70	67.2 Å²	67.2	43%	0.429	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	152	179.6	53.1	0	0	0	0	111.3	C904 L906 L927	C904-T929 CarbonylContact O-C 3.56Å; C904-T929 WeakPolarHBondContact O-CA 3.43Å; L906-T929 WeakPolarHBondContact CD1-O 2.98Å; L927-T929 VanDerWaalsContact C-N 3.26Å
930	G	82	Confident	65.7	Low	5 Å²	5	67.5 Å²	67.5	5%	0.052	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	-164.3	178.6	0	0	0	0	0	111.6	G903 C904 K921	G903-G930 CarbonylContact C-O 3.58Å; G903-G930 WeakPolarHBondContact CA-O 3.18Å; C904-G930 PolarHBondContact N-O 2.9Å; C904-G930 PolarHBondContact O-N 3.39Å; C904-G930 PolarHBondContact SG-O 3.2Å; K921-G930 CarbonylContact O-C 3.5Å; K921-G930 VanDerWaalsContact O-CA 3.25Å; K921-G930 WeakPolarHBondContact O-CA 3.33Å
931	Y	85	Confident	64.3	Low	70 Å²	70	71.3 Å²	71.3	28%	0.275	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	151.9	176.5	-65.5	-80.9	0	0	0	111.2	L885 P901 K902 C904 K921 C933	L885-Y931 HydrophobicContact CB-CD2 4.35Å; L885-Y931 HydrophobicContact CD2-CD2 4.13Å; L885-Y931 HydrophobicContact CD2-CE2 3.59Å; P901-Y931 HydrophobicContact CB-CD1 3.71Å; P901-Y931 HydrophobicContact CB-CE1 3.99Å; K902-Y931 WeakPolarHBondContact O-CA 3.47Å; C904-Y931 PolarHBondContact SG-N 3.04Å; C904-Y931 PolarHBondContact SG-O 2.81Å; K921-Y931 PolarHBondContact N-O 2.03Å; K921-Y931 PolarHBondContact O-N 3.37Å; Y931-C933 PolarHBondContact O-N 2.84Å; Y931-C933 PolarHBondContact O-SG 3.24Å; Y931-C933 VanDerWaalsContact O-SG 3.38Å
932	C	86	Confident	63.5	Low	0 Å²	0	70.3 Å²	70.3	0%	0	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	103.5	172.7	-67.3	0	0	0	0	110.1	F892 Y893 K902 C914 Y918	F892-C932 CarbonylContact C-O 3.59Å; F892-C932 WeakPolarHBondContact CA-O 3.31Å; Y893-C932 PolarHBondContact N-O 3.43Å; K902-C932 HydrophobicContact CB-CB 4.42Å; K902-C932 PolarHBondContact O-N 3.21Å; C914-C932 WeakPolarHBondContact CA-SG 3.42Å; C914-C932 HydrophobicContact CB-CB 3.79Å; C914-C932 WeakPolarHBondContact CB-SG 3.45Å; C914-C932 WeakPolarHBondContact SG-CA 3.02Å; C914-C932 WeakPolarHBondContact SG-CB 3.45Å; C914-C932 CovalentContact SG-SG 2.05Å; C914-C932 PolarHBondContact SG-SG 3.07Å; Y918-C932 WeakPolarHBondContact CD1-O 3.01Å
933	C	84.6	Confident	63.4	Low	0 Å²	0	68.7 Å²	68.7	0%	0	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.1	-174.3	-60.6	0	0	0	0	111.1	C886 E890 Y918 S919 K921 Y931	C886-C933 WeakPolarHBondContact CA-SG 3.47Å; C886-C933 HydrophobicContact CB-CB 3.69Å; C886-C933 WeakPolarHBondContact CB-SG 2.99Å; C886-C933 WeakPolarHBondContact SG-CB 3.36Å; C886-C933 CovalentContact SG-SG 2.02Å; C886-C933 PolarHBondContact SG-SG 3.23Å; E890-C933 HydrophobicContact CB-CB 4.44Å; Y918-C933 CarbonylContact C-O 3.58Å; Y918-C933 WeakPolarHBondContact CA-O 3.42Å; S919-C933 PolarHBondContact N-O 3.17Å; S919-C933 PolarHBondContact O-N 2.04Å; S919-C933 PolarHBondContact OG-O 2.89Å; K921-C933 HydrophobicContact CB-CB 4.09Å; K921-C933 HydrophobicContact CD-CB 3.96Å; K921-C933 HydrophobicContact CG-CB 4.26Å; Y931-C933 PolarHBondContact O-N 2.84Å; Y931-C933 PolarHBondContact O-SG 3.24Å; Y931-C933 VanDerWaalsContact O-SG 3.38Å
934	G	69.2	Low	63.9	Low	5 Å²	5	67.3 Å²	67.3	5%	0.052	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	148.1	-171.2	0	0	0	0	0	112.6	D891 G917 Y918	D891-G934 PolarHBondContact N-O 2.73Å; D891-G934 PolarHBondContact O-N 2.97Å; G917-G934 WeakPolarHBondContact O-CA 3.02Å; Y918-G934 VanDerWaalsContact CD1-N 3.33Å
935	G	54.7	Low	64.4	Low	60 Å²	60	64.2 Å²	64.2	62%	0.619	42%	0.422	S	S	*	.			trans	-90.8	119.5	179.1	0	0	0	0	0	112.3
936	I	40.8	Very low	65.1	Low	154 Å²	154	60.7 Å²	60.7	79%	0.79	40%	0.401	S	S	*	.			trans	35.7	85.6	152.3	-36.8	176.9	0	0	0	115.7
937	A	36.7	Very low	65.8	Low	72 Å²	72	58.4 Å²	58.4	60%	0.595	38%	0.377	S	S	*	.			trans	-121.4	72.5	168.7	0	0	0	0	0	110.8
938	G	38.5	Very low	66.5	Low	53 Å²	53	61.5 Å²	61.5	55%	0.546	39%	0.389	S	S	.	.			trans	-65.6	172.2	178.9	0	0	0	0	0	114.5	V940	G938-V940 VanDerWaalsContact O-CG2 3.32Å; G938-V940 WeakPolarHBondContact O-CG2 3.35Å; G938-V940 PolarHBondContact O-N 2.04Å; G938-V940 VanDerWaalsContact O-N 3.08Å
939	H	36	Very low	67.2	Low	191 Å²	191	59.2 Å²	59.2	88%	0.884	38%	0.376	S	S	*	.			trans	-33	108.7	172.2	-104.5	-99.4	0	0	0	112.6	T941	H939-T941 PolarHBondContact O-N 3.07Å; H939-T941 VanDerWaalsContact O-N 3.12Å
940	V	47.7	Very low	67.7	Low	56 Å²	56	59.4 Å²	59.4	34%	0.339	37%	0.369	S	S	.	.			trans	-89.8	80	-179	-152.6	0	0	0	0	110.6	G938 V943	G938-V940 VanDerWaalsContact O-CG2 3.32Å; G938-V940 WeakPolarHBondContact O-CG2 3.35Å; G938-V940 PolarHBondContact O-N 2.04Å; G938-V940 VanDerWaalsContact O-N 3.08Å; V940-V943 HydrophobicContact CB-CG2 3.67Å; V940-V943 HydrophobicContact CG1-CB 4.48Å; V940-V943 HydrophobicContact CG1-CG2 3.4Å; V940-V943 VanDerWaalsContact CG1-CG2 3.4Å; V940-V943 WeakPolarHBondContact O-CG2 3.02Å
941	T	54.2	Low	67.4	Low	116 Å²	116	63.5 Å²	63.5	71%	0.712	39%	0.388	S	S	*	.			trans	-71.7	142.4	153	45.8	0	0	0	0	109	H939	H939-T941 PolarHBondContact O-N 3.07Å; H939-T941 VanDerWaalsContact O-N 3.12Å
942	G	65	Low	66.6	Low	40 Å²	40	65 Å²	65	41%	0.412	40%	0.401	S	S	.	.			trans	79.9	31.8	177.4	0	0	0	0	0	115.7	P977 T978	G942-P977 WeakPolarHBondContact O-CG 3.28Å; G942-T978 VanDerWaalsContact O-CG2 3.28Å; G942-T978 WeakPolarHBondContact O-CG2 2.99Å; G942-T978 PolarHBondContact O-OG1 2.03Å
943	V	75.6	Confident	65.5	Low	6 Å²	6	68.2 Å²	68.2	4%	0.036	43%	0.434	C	S	.	.			trans	-67.4	-37.7	173.7	-175.3	0	0	0	0	112.1	V940 P956 S976 Y984	V940-V943 HydrophobicContact CB-CG2 3.67Å; V940-V943 HydrophobicContact CG1-CB 4.48Å; V940-V943 HydrophobicContact CG1-CG2 3.4Å; V940-V943 VanDerWaalsContact CG1-CG2 3.4Å; V940-V943 WeakPolarHBondContact O-CG2 3.02Å; V943-P956 HydrophobicContact CG1-CB 3.85Å; V943-P956 HydrophobicContact CG1-CG 4.23Å; V943-P956 HydrophobicContact CG2-CB 4.34Å; V943-P956 HydrophobicContact CG2-CG 3.8Å; V943-S976 WeakPolarHBondContact O-CA 3.33Å; V943-S976 WeakPolarHBondContact O-CB 3.49Å; V943-S976 PolarHBondContact O-OG 3.4Å; V943-Y984 HydrophobicContact CG1-CD1 3.66Å; V943-Y984 HydrophobicContact CG1-CD2 3.5Å; V943-Y984 VanDerWaalsContact CG1-CD2 3.5Å; V943-Y984 HydrophobicContact CG1-CE1 4.04Å; V943-Y984 HydrophobicContact CG1-CE2 3.91Å; V943-Y984 HydrophobicContact CG1-CG 3.35Å
944	C	81.8	Confident	64.2	Low	18 Å²	18	74.3 Å²	74.3	12%	0.122	47%	0.472	C	S	.	.	S	Bend	trans	-108.9	135	-174.9	-72.7	0	0	0	0	110	S946 P949 C986	C944-S946 VanDerWaalsContact C-N 3.25Å; C944-S946 WeakPolarHBondContact CB-O 3.01Å; C944-S946 PolarHBondContact O-N 2.92Å; C944-P949 VanDerWaalsContact SG-CA 3.58Å; C944-C986 WeakPolarHBondContact CA-SG 3.33Å; C944-C986 HydrophobicContact CB-CB 3.69Å; C944-C986 WeakPolarHBondContact CB-SG 3.23Å; C944-C986 VanDerWaalsContact SG-CA 3.56Å; C944-C986 WeakPolarHBondContact SG-CB 3.43Å; C944-C986 CovalentContact SG-SG 2.03Å; C944-C986 PolarHBondContact SG-SG 2.96Å
945	P	80.1	Confident	63.8	Low	75 Å²	75	78.5 Å²	78.5	49%	0.487	50%	0.496	S	S	.	.	S	Bend	trans	-71.8	-23.2	176	29.2	-32.8	0	0	0	112	L974 E975 P977	P945-L974 HydrophobicContact CG-CB 3.88Å; P945-L974 HydrophobicContact CG-CD1 3.89Å; P945-L974 HydrophobicContact CG-CG 4.5Å; P945-E975 WeakPolarHBondContact CD-O 3.33Å; P945-P977 HydrophobicContact CB-CG 4.27Å
946	S	79.8	Confident	64.7	Low	56 Å²	56	76.7 Å²	76.7	39%	0.392	47%	0.473	S	S	.	.	S	Bend	trans	-150.8	154.6	163.3	61.6	0	0	0	0	110.3	C944	C944-S946 VanDerWaalsContact C-N 3.25Å; C944-S946 WeakPolarHBondContact CB-O 3.01Å; C944-S946 PolarHBondContact O-N 2.92Å
947	G	76.8	Confident	66.8	Low	33 Å²	33	73.2 Å²	73.2	34%	0.34	45%	0.45	S	S	.	.	S	Bend	trans	76	-172	-178.8	0	0	0	0	0	115.1	S987	G947-S987 WeakPolarHBondContact CA-O 3.39Å; G947-S987 WeakPolarHBondContact CA-OG 3.26Å
948	Q	80.6	Confident	69.1	Low	139 Å²	139	76.3 Å²	76.3	65%	0.65	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-101	142.6	179.1	-66	-63.7	-31.3	0	0	110.7	S987	Q948-S987 PolarHBondContact N-OG 3.39Å; Q948-S987 PolarHBondContact O-N 2.89Å
949	P	83.4	Confident	71.4	Confident	25 Å²	25	74.6 Å²	74.6	16%	0.162	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-66.1	143.7	173.4	27	-33	0	0	0	111.4	C944 M951 P956 C985	C944-P949 VanDerWaalsContact SG-CA 3.58Å; P949-M951 HydrophobicContact CB-SD 4.31Å; P949-M951 HydrophobicContact CG-SD 3.95Å; P949-M951 PolarHBondContact O-N 3.45Å; P949-P956 HydrophobicContact CB-CB 3.94Å; P949-P956 HydrophobicContact CB-CG 4.4Å; P949-C985 CarbonylContact C-O 3.52Å; P949-C985 WeakPolarHBondContact CA-O 3.43Å
950	Y	84.3	Confident	73.7	Confident	73 Å²	73	69.4 Å²	69.4	29%	0.286	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-68.5	119.9	162.3	-175.9	-85.5	0	0	0	108	R957 P968 Y971 C985	Y950-R957 HydrophobicContact CD1-CB 3.7Å; Y950-R957 HydrophobicContact CD1-CG 4.29Å; Y950-R957 WeakPolarHBondContact O-CB 3.03Å; Y950-R957 PolarHBondContact O-N 2.84Å; Y950-P968 HydrophobicContact CD1-CG 4.32Å; Y950-P968 HydrophobicContact CD2-CB 4.25Å; Y950-P968 HydrophobicContact CD2-CG 3.77Å; Y950-P968 HydrophobicContact CE1-CG 4.17Å; Y950-P968 HydrophobicContact CE2-CB 4.03Å; Y950-P968 HydrophobicContact CE2-CG 3.6Å; Y950-P968 HydrophobicContact CG-CG 4.13Å; Y950-Y971 HydrophobicContact CD2-CD1 4.5Å; Y950-Y971 AromaticContact CD2-CD2 3.95Å; Y950-Y971 HydrophobicContact CD2-CD2 3.95Å; Y950-Y971 HydrophobicContact CD2-CE1 4.28Å; Y950-Y971 AromaticContact CD2-CE2 3.72Å; Y950-Y971 HydrophobicContact CD2-CE2 3.72Å; Y950-Y971 HydrophobicContact CD2-CG 4.35Å; Y950-Y971 AromaticContact CD2-CZ 3.88Å; Y950-C985 PolarHBondContact N-O 3.12Å
951	M	75.8	Confident	75.2	Confident	91 Å²	91	69 Å²	69	45%	0.448	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	121	-179.7	-60.4	-63.1	-80.7	0	0	109.6	P949 T954 P956	P949-M951 HydrophobicContact CB-SD 4.31Å; P949-M951 HydrophobicContact CG-SD 3.95Å; P949-M951 PolarHBondContact O-N 3.45Å; M951-T954 VanDerWaalsContact CE-O 3.31Å; M951-T954 WeakPolarHBondContact CE-O 3.43Å; M951-P956 HydrophobicContact SD-CB 4.45Å; M951-P956 HydrophobicContact SD-CG 4.03Å
952	D	66.2	Low	76.3	Confident	101 Å²	101	67.8 Å²	67.8	54%	0.54	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	95.9	169.2	-159.2	0.4	0	0	0	107.3	T954 V955 R957	D952-T954 PolarHBondContact O-N 3.28Å; D952-V955 PolarHBondContact N-O 2.88Å; D952-V955 PolarHBondContact O-N 2.03Å; D952-R957 HydrophobicContact CB-CB 4.27Å
953	G	64.4	Low	76.6	Confident	68 Å²	68	70.3 Å²	70.3	70%	0.701	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	-114.8	-161.6	0	0	0	0	0	111.4
954	T	57.3	Low	76	Confident	129 Å²	129	75 Å²	75	79%	0.791	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	6.7	179.3	56.7	0	0	0	0	113.8	M951 D952	M951-T954 VanDerWaalsContact CE-O 3.31Å; M951-T954 WeakPolarHBondContact CE-O 3.43Å; D952-T954 PolarHBondContact O-N 3.28Å
955	V	60	Low	75.4	Confident	92 Å²	92	81.5 Å²	81.5	56%	0.558	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.6	-174.7	-172.9	0	0	0	0	110.3	D952 R957	D952-V955 PolarHBondContact N-O 2.88Å; D952-V955 PolarHBondContact O-N 2.03Å; V955-R957 PolarHBondContact O-N 3.3Å
956	P	74.2	Confident	75.4	Confident	22 Å²	22	79 Å²	79	14%	0.143	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	124.8	171.9	-24.5	33.9	0	0	0	111.9	V943 P949 M951 R958 Y984	V943-P956 HydrophobicContact CG1-CB 3.85Å; V943-P956 HydrophobicContact CG1-CG 4.23Å; V943-P956 HydrophobicContact CG2-CB 4.34Å; V943-P956 HydrophobicContact CG2-CG 3.8Å; P949-P956 HydrophobicContact CB-CB 3.94Å; P949-P956 HydrophobicContact CB-CG 4.4Å; M951-P956 HydrophobicContact SD-CB 4.45Å; M951-P956 HydrophobicContact SD-CG 4.03Å; P956-R958 PolarHBondContact O-N 3.16Å; P956-Y984 HydrophobicContact CB-CD1 3.68Å; P956-Y984 HydrophobicContact CB-CE1 3.95Å
957	R	84.2	Confident	75.8	Confident	81 Å²	81	77.2 Å²	77.2	31%	0.306	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-66.1	119.2	179.6	177	172.1	170.3	146.4	-4.9	110.5	Y950 D952 V955 S966 Y984 C985	Y950-R957 HydrophobicContact CD1-CB 3.7Å; Y950-R957 HydrophobicContact CD1-CG 4.29Å; Y950-R957 WeakPolarHBondContact O-CB 3.03Å; Y950-R957 PolarHBondContact O-N 2.84Å; D952-R957 HydrophobicContact CB-CB 4.27Å; V955-R957 PolarHBondContact O-N 3.3Å; R957-S966 PolarHBondContact NE-O 3.26Å; R957-S966 PolarHBondContact NH2-O 3.39Å; R957-Y984 WeakPolarHBondContact O-CA 3.28Å; R957-C985 HydrophobicContact CB-CB 4.48Å; R957-C985 PolarHBondContact O-N 3.43Å
958	R	85	Confident	76.1	Confident	138 Å²	138	77.2 Å²	77.2	52%	0.521	46%	0.456	S	S	.	.	B	Isolated β-bridge	trans	-72.6	153.4	169.4	-77.3	-177.5	-75.8	173.5	-5	111.1	P956 Y983 Y984	P956-R958 PolarHBondContact O-N 3.16Å; R958-Y983 VanDerWaalsContact CA-O 3.28Å; R958-Y983 WeakPolarHBondContact CA-O 3.35Å; R958-Y984 HydrophobicContact CG-CD1 3.78Å; R958-Y984 HydrophobicContact CG-CE1 3.45Å; R958-Y984 VanDerWaalsContact CG-CE1 3.45Å
959	C	87.3	Confident	76	Confident	17 Å²	17	77.9 Å²	77.9	12%	0.115	47%	0.469	C	S	.	.			trans	-140.2	178.6	175.5	61.1	0	0	0	0	109.8	C967 C973 Y983 Y984	C959-C967 VanDerWaalsContact CB-SG 3.51Å; C959-C973 HydrophobicContact CB-CB 3.82Å; C959-C973 WeakPolarHBondContact CB-SG 2.95Å; C959-C973 WeakPolarHBondContact SG-CA 3.49Å; C959-C973 WeakPolarHBondContact SG-CB 3.33Å; C959-C973 CovalentContact SG-SG 2.03Å; C959-C973 PolarHBondContact SG-SG 3.08Å; C959-Y983 PolarHBondContact N-O 3.09Å; C959-Y983 VanDerWaalsContact SG-C 3.55Å; C959-Y984 PolarHBondContact SG-N 2.82Å; C959-Y984 VanDerWaalsContact SG-N 3.44Å
960	T	83.5	Confident	75.8	Confident	82 Å²	82	79.4 Å²	79.4	50%	0.503	49%	0.489	S	S	.	.			trans	-122.2	124.4	178.8	-49.5	0	0	0	0	108.6	G962 I963	T960-G962 PolarHBondContact O-N 3.31Å; T960-I963 HydrophobicContact CG2-CD1 3.73Å; T960-I963 HydrophobicContact CG2-CG1 4.01Å; T960-I963 PolarHBondContact O-N 3.24Å
961	A	80.5	Confident	75.9	Confident	48 Å²	48	79.1 Å²	79.1	40%	0.397	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	138.5	175.6	0	0	0	0	0	111.1	I963 Y983	A961-I963 VanDerWaalsContact C-N 3.27Å; A961-I963 PolarHBondContact O-N 3.49Å; A961-Y983 HydrophobicContact CB-CD1 3.84Å; A961-Y983 HydrophobicContact CB-CD2 4.38Å; A961-Y983 HydrophobicContact CB-CE1 3.55Å; A961-Y983 HydrophobicContact CB-CE2 4.16Å; A961-Y983 HydrophobicContact CB-CG 4.25Å
962	G	75.9	Confident	76.5	Confident	89 Å²	89	79.5 Å²	79.5	92%	0.918	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-8.9	179.9	0	0	0	0	0	116.2	T960	T960-G962 PolarHBondContact O-N 3.31Å
963	I	72.7	Confident	77.6	Confident	94 Å²	94	76.3 Å²	76.3	48%	0.482	48%	0.477	S	S	.	.			trans	-91.3	109.4	176.7	-56.7	-169.6	0	0	0	110.8	T960 A961 S966	T960-I963 HydrophobicContact CG2-CD1 3.73Å; T960-I963 HydrophobicContact CG2-CG1 4.01Å; T960-I963 PolarHBondContact O-N 3.24Å; A961-I963 VanDerWaalsContact C-N 3.27Å; A961-I963 PolarHBondContact O-N 3.49Å; I963-S966 WeakPolarHBondContact O-CB 3.44Å; I963-S966 PolarHBondContact O-N 2.03Å; I963-S966 PolarHBondContact O-OG 2.85Å
964	S	61.5	Low	78.7	Confident	104 Å²	104	75.4 Å²	75.4	73%	0.727	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	136.6	167.5	51.7	0	0	0	0	111	S966	S964-S966 VanDerWaalsContact C-N 3.32Å; S964-S966 PolarHBondContact O-N 3.44Å
965	N	70.3	Confident	80.2	Confident	155 Å²	155	73.2 Å²	73.2	83%	0.829	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	13.6	-174.5	-52.3	-22	0	0	0	116.2	C967	N965-C967 PolarHBondContact O-N 2.99Å
966	S	80.8	Confident	81.2	Confident	22 Å²	22	69 Å²	69	15%	0.154	41%	0.411	C	S	.	.	S	Bend	trans	-65.1	-28.4	171.4	56.1	0	0	0	0	113.4	R957 I963 S964	R957-S966 PolarHBondContact NE-O 3.26Å; R957-S966 PolarHBondContact NH2-O 3.39Å; I963-S966 WeakPolarHBondContact O-CB 3.44Å; I963-S966 PolarHBondContact O-N 2.03Å; I963-S966 PolarHBondContact O-OG 2.85Å; S964-S966 VanDerWaalsContact C-N 3.32Å; S964-S966 PolarHBondContact O-N 3.44Å
967	C	87	Confident	81.6	Confident	19 Å²	19	72 Å²	72	13%	0.128	43%	0.431	C	S	.	.	S	Bend	trans	-114.4	151	177.1	-67.1	0	0	0	0	113.2	C959 N965 Y971 C985	C959-C967 VanDerWaalsContact CB-SG 3.51Å; N965-C967 PolarHBondContact O-N 2.99Å; C967-Y971 VanDerWaalsContact CB-O 3.24Å; C967-Y971 WeakPolarHBondContact CB-O 3.28Å; C967-C985 WeakPolarHBondContact CA-SG 3.36Å; C967-C985 HydrophobicContact CB-CB 3.8Å; C967-C985 WeakPolarHBondContact CB-SG 3.31Å; C967-C985 WeakPolarHBondContact SG-CA 3.49Å; C967-C985 WeakPolarHBondContact SG-CB 3.41Å; C967-C985 CovalentContact SG-SG 2.04Å; C967-C985 PolarHBondContact SG-SG 3.33Å
968	P	82.5	Confident	81.1	Confident	33 Å²	33	71.7 Å²	71.7	21%	0.214	44%	0.438	C	S	.	.			trans	-61.9	156.6	172.5	-23.9	37	0	0	0	112.9	Y950 G970 Y971	Y950-P968 HydrophobicContact CD1-CG 4.32Å; Y950-P968 HydrophobicContact CD2-CB 4.25Å; Y950-P968 HydrophobicContact CD2-CG 3.77Å; Y950-P968 HydrophobicContact CE1-CG 4.17Å; Y950-P968 HydrophobicContact CE2-CB 4.03Å; Y950-P968 HydrophobicContact CE2-CG 3.6Å; Y950-P968 HydrophobicContact CG-CG 4.13Å; P968-G970 PolarHBondContact O-N 2.75Å; P968-Y971 PolarHBondContact O-N 2.82Å
969	V	79.8	Confident	80.3	Confident	153 Å²	153	68.8 Å²	68.8	93%	0.927	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	126.8	177.3	-177.8	0	0	0	0	110.4
970	G	79	Confident	79.8	Confident	56 Å²	56	73 Å²	73	58%	0.577	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.8	-5.7	-176.4	0	0	0	0	0	115.5	P968	P968-G970 PolarHBondContact O-N 2.75Å
971	Y	86.8	Confident	79.5	Confident	68 Å²	68	71.8 Å²	71.8	27%	0.267	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.5	177.5	-67.4	-101.2	0	0	0	111.5	Y950 C967 P968 C986 S987	Y950-Y971 HydrophobicContact CD2-CD1 4.5Å; Y950-Y971 AromaticContact CD2-CD2 3.95Å; Y950-Y971 HydrophobicContact CD2-CD2 3.95Å; Y950-Y971 HydrophobicContact CD2-CE1 4.28Å; Y950-Y971 AromaticContact CD2-CE2 3.72Å; Y950-Y971 HydrophobicContact CD2-CE2 3.72Å; Y950-Y971 HydrophobicContact CD2-CG 4.35Å; Y950-Y971 AromaticContact CD2-CZ 3.88Å; C967-Y971 VanDerWaalsContact CB-O 3.24Å; C967-Y971 WeakPolarHBondContact CB-O 3.28Å; P968-Y971 PolarHBondContact O-N 2.82Å; Y971-C986 CarbonylContact C-O 3.44Å; Y971-C986 WeakPolarHBondContact CA-O 3.22Å; Y971-S987 VanDerWaalsContact CD1-N 3.33Å
972	N	87.4	Confident	79.6	Confident	99 Å²	99	73.8 Å²	73.8	53%	0.529	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	146.6	176.3	-67.9	-33.9	0	0	0	110.5	L974 C985 C986	N972-L974 HydrophobicContact CB-CD2 4.15Å; N972-L974 HydrophobicContact CB-CG 4.26Å; N972-L974 PolarHBondContact O-N 3.12Å; N972-C985 WeakPolarHBondContact O-CA 3.42Å; N972-C986 PolarHBondContact N-O 3.24Å; N972-C986 PolarHBondContact O-N 2.88Å
973	C	90.2	Very high	80.3	Confident	34 Å²	34	73 Å²	73	23%	0.23	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	104.8	174.4	-173.5	0	0	0	0	110	C959	C959-C973 HydrophobicContact CB-CB 3.82Å; C959-C973 WeakPolarHBondContact CB-SG 2.95Å; C959-C973 WeakPolarHBondContact SG-CA 3.49Å; C959-C973 WeakPolarHBondContact SG-CB 3.33Å; C959-C973 CovalentContact SG-SG 2.03Å; C959-C973 PolarHBondContact SG-SG 3.08Å
974	L	87.8	Confident	81.1	Confident	49 Å²	49	69.1 Å²	69.1	26%	0.257	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	146.2	-176.3	-57.1	-175.7	0	0	0	111.1	P945 N972 Y983 Y984 C986	P945-L974 HydrophobicContact CG-CB 3.88Å; P945-L974 HydrophobicContact CG-CD1 3.89Å; P945-L974 HydrophobicContact CG-CG 4.5Å; N972-L974 HydrophobicContact CB-CD2 4.15Å; N972-L974 HydrophobicContact CB-CG 4.26Å; N972-L974 PolarHBondContact O-N 3.12Å; L974-Y983 CarbonylContact O-C 3.52Å; L974-Y983 VanDerWaalsContact O-CA 3.31Å; L974-Y983 WeakPolarHBondContact O-CA 3.27Å; L974-Y984 PolarHBondContact N-O 3.44Å; L974-Y984 PolarHBondContact O-N 2.71Å; L974-C986 HydrophobicContact CB-CB 4.28Å; L974-C986 HydrophobicContact CD1-CB 3.75Å; L974-C986 HydrophobicContact CG-CB 4.07Å
975	E	88	Confident	82.5	Confident	82 Å²	82	64.2 Å²	64.2	38%	0.383	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	140.6	174.2	-167.3	169.3	-164.6	0	0	111	P945 G981 Y983	P945-E975 WeakPolarHBondContact CD-O 3.33Å; E975-G981 PolarHBondContact OE1-N 3.19Å; E975-Y983 HydrophobicContact CB-CD1 3.93Å; E975-Y983 HydrophobicContact CB-CE1 3.63Å; E975-Y983 HydrophobicContact CB-CE2 4.5Å; E975-Y983 HydrophobicContact CB-CG 4.49Å; E975-Y983 HydrophobicContact CG-CE1 4.27Å; E975-Y983 HydrophobicContact CG-CE2 4.27Å
976	S	81.8	Confident	83.4	Confident	4 Å²	4	56.8 Å²	56.8	3%	0.028	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	124.4	178.8	175.2	0	0	0	0	111.7	V943 T978 R979 F982	V943-S976 WeakPolarHBondContact O-CA 3.33Å; V943-S976 WeakPolarHBondContact O-CB 3.49Å; V943-S976 PolarHBondContact O-OG 3.4Å; S976-T978 PolarHBondContact O-N 2.91Å; S976-T978 PolarHBondContact OG-N 3.2Å; S976-T978 PolarHBondContact OG-OG1 3.13Å; S976-R979 CarbonylContact O-C 3.51Å; S976-R979 PolarHBondContact O-N 3.48Å; S976-R979 PolarHBondContact OG-N 2.94Å; S976-F982 WeakPolarHBondContact CB-O 3.32Å; S976-F982 PolarHBondContact N-O 3.42Å
977	P	81.7	Confident	83.4	Confident	85 Å²	85	56.5 Å²	56.5	55%	0.552	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-16	174.7	31.1	-36.6	0	0	0	112.6	G942 P945	G942-P977 WeakPolarHBondContact O-CG 3.28Å; P945-P977 HydrophobicContact CB-CG 4.27Å
978	T	72.9	Confident	82.4	Confident	75 Å²	75	57 Å²	57	46%	0.46	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-9.8	176.9	54.1	0	0	0	0	113.5	G942 S976	G942-T978 VanDerWaalsContact O-CG2 3.28Å; G942-T978 WeakPolarHBondContact O-CG2 2.99Å; G942-T978 PolarHBondContact O-OG1 2.03Å; S976-T978 PolarHBondContact O-N 2.91Å; S976-T978 PolarHBondContact OG-N 3.2Å; S976-T978 PolarHBondContact OG-OG1 3.13Å
979	R	69.8	Low	81	Confident	76 Å²	76	59.7 Å²	59.7	29%	0.287	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	84.3	-179.5	-64.3	-171.7	-177	-169.9	0.6	110.9	S976 F982	S976-R979 CarbonylContact O-C 3.51Å; S976-R979 PolarHBondContact O-N 3.48Å; S976-R979 PolarHBondContact OG-N 2.94Å; R979-F982 HydrophobicContact CB-CB 4Å; R979-F982 HydrophobicContact CB-CD2 3.82Å; R979-F982 HydrophobicContact CB-CG 4.13Å; R979-F982 WeakPolarHBondContact O-CB 3.37Å; R979-F982 PolarHBondContact O-N 3.15Å
980	P	76.6	Confident	79.4	Confident	107 Å²	107	57.1 Å²	57.1	70%	0.695	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-51.4	139.4	174.9	-26.3	35	0	0	0	112	F982	P980-F982 VanDerWaalsContact C-N 3.27Å; P980-F982 PolarHBondContact O-N 3.25Å
981	G	77.2	Confident	77.2	Confident	56 Å²	56	58.4 Å²	58.4	58%	0.577	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	79.5	-7.6	-174.4	0	0	0	0	0	115.5	E975	E975-G981 PolarHBondContact OE1-N 3.19Å
982	F	82.8	Confident	74.5	Confident	90 Å²	90	59 Å²	59	40%	0.395	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121.7	175.8	-68.8	-101.4	0	0	0	111.3	S976 R979 P980 Y984	S976-F982 WeakPolarHBondContact CB-O 3.32Å; S976-F982 PolarHBondContact N-O 3.42Å; R979-F982 HydrophobicContact CB-CB 4Å; R979-F982 HydrophobicContact CB-CD2 3.82Å; R979-F982 HydrophobicContact CB-CG 4.13Å; R979-F982 WeakPolarHBondContact O-CB 3.37Å; R979-F982 PolarHBondContact O-N 3.15Å; P980-F982 VanDerWaalsContact C-N 3.27Å; P980-F982 PolarHBondContact O-N 3.25Å; F982-Y984 HydrophobicContact CB-CD2 4.46Å; F982-Y984 HydrophobicContact CB-CE2 3.64Å
983	Y	88.8	Confident	71.8	Confident	72 Å²	72	57.3 Å²	57.3	28%	0.282	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	140	178.2	-66.5	-104	0	0	0	111.5	R958 C959 A961 L974 E975	R958-Y983 VanDerWaalsContact CA-O 3.28Å; R958-Y983 WeakPolarHBondContact CA-O 3.35Å; C959-Y983 PolarHBondContact N-O 3.09Å; C959-Y983 VanDerWaalsContact SG-C 3.55Å; A961-Y983 HydrophobicContact CB-CD1 3.84Å; A961-Y983 HydrophobicContact CB-CD2 4.38Å; A961-Y983 HydrophobicContact CB-CE1 3.55Å; A961-Y983 HydrophobicContact CB-CE2 4.16Å; A961-Y983 HydrophobicContact CB-CG 4.25Å; L974-Y983 CarbonylContact O-C 3.52Å; L974-Y983 VanDerWaalsContact O-CA 3.31Å; L974-Y983 WeakPolarHBondContact O-CA 3.27Å; E975-Y983 HydrophobicContact CB-CD1 3.93Å; E975-Y983 HydrophobicContact CB-CE1 3.63Å; E975-Y983 HydrophobicContact CB-CE2 4.5Å; E975-Y983 HydrophobicContact CB-CG 4.49Å; E975-Y983 HydrophobicContact CG-CE1 4.27Å; E975-Y983 HydrophobicContact CG-CE2 4.27Å
984	Y	89.5	Confident	69	Low	13 Å²	13	66.7 Å²	66.7	5%	0.051	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	152.2	-178	-64	-91.2	0	0	0	111.8	V943 P956 R957 R958 C959 L974 F982 C986	V943-Y984 HydrophobicContact CG1-CD1 3.66Å; V943-Y984 HydrophobicContact CG1-CD2 3.5Å; V943-Y984 VanDerWaalsContact CG1-CD2 3.5Å; V943-Y984 HydrophobicContact CG1-CE1 4.04Å; V943-Y984 HydrophobicContact CG1-CE2 3.91Å; V943-Y984 HydrophobicContact CG1-CG 3.35Å; P956-Y984 HydrophobicContact CB-CD1 3.68Å; P956-Y984 HydrophobicContact CB-CE1 3.95Å; R957-Y984 WeakPolarHBondContact O-CA 3.28Å; R958-Y984 HydrophobicContact CG-CD1 3.78Å; R958-Y984 HydrophobicContact CG-CE1 3.45Å; R958-Y984 VanDerWaalsContact CG-CE1 3.45Å; C959-Y984 PolarHBondContact SG-N 2.82Å; C959-Y984 VanDerWaalsContact SG-N 3.44Å; L974-Y984 PolarHBondContact N-O 3.44Å; L974-Y984 PolarHBondContact O-N 2.71Å; F982-Y984 HydrophobicContact CB-CD2 4.46Å; F982-Y984 HydrophobicContact CB-CE2 3.64Å; Y984-C986 PolarHBondContact O-N 3.39Å; Y984-C986 PolarHBondContact O-SG 2.84Å
985	C	91.5	Very high	66.4	Low	0 Å²	0	71.1 Å²	71.1	0%	0	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	114.4	174.3	-64.7	0	0	0	0	110.2	P949 Y950 R957 C967 N972	P949-C985 CarbonylContact C-O 3.52Å; P949-C985 WeakPolarHBondContact CA-O 3.43Å; Y950-C985 PolarHBondContact N-O 3.12Å; R957-C985 HydrophobicContact CB-CB 4.48Å; R957-C985 PolarHBondContact O-N 3.43Å; C967-C985 WeakPolarHBondContact CA-SG 3.36Å; C967-C985 HydrophobicContact CB-CB 3.8Å; C967-C985 WeakPolarHBondContact CB-SG 3.31Å; C967-C985 WeakPolarHBondContact SG-CA 3.49Å; C967-C985 WeakPolarHBondContact SG-CB 3.41Å; C967-C985 CovalentContact SG-SG 2.04Å; C967-C985 PolarHBondContact SG-SG 3.33Å; N972-C985 WeakPolarHBondContact O-CA 3.42Å
986	C	89.4	Confident	63.7	Low	0 Å²	0	79.4 Å²	79.4	0%	0	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.9	-173.6	-62.7	0	0	0	0	110.8	C944 Y971 N972 L974 Y984	C944-C986 WeakPolarHBondContact CA-SG 3.33Å; C944-C986 HydrophobicContact CB-CB 3.69Å; C944-C986 WeakPolarHBondContact CB-SG 3.23Å; C944-C986 VanDerWaalsContact SG-CA 3.56Å; C944-C986 WeakPolarHBondContact SG-CB 3.43Å; C944-C986 CovalentContact SG-SG 2.03Å; C944-C986 PolarHBondContact SG-SG 2.96Å; Y971-C986 CarbonylContact C-O 3.44Å; Y971-C986 WeakPolarHBondContact CA-O 3.22Å; N972-C986 PolarHBondContact N-O 3.24Å; N972-C986 PolarHBondContact O-N 2.88Å; L974-C986 HydrophobicContact CB-CB 4.28Å; L974-C986 HydrophobicContact CD1-CB 3.75Å; L974-C986 HydrophobicContact CG-CB 4.07Å; Y984-C986 PolarHBondContact O-N 3.39Å; Y984-C986 PolarHBondContact O-SG 2.84Å
987	S	82	Confident	61.8	Low	15 Å²	15	81.9 Å²	81.9	11%	0.105	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	147.2	-178.8	73.8	0	0	0	0	111	G947 Q948 Y971	G947-S987 WeakPolarHBondContact CA-O 3.39Å; G947-S987 WeakPolarHBondContact CA-OG 3.26Å; Q948-S987 PolarHBondContact N-OG 3.39Å; Q948-S987 PolarHBondContact O-N 2.89Å; Y971-S987 VanDerWaalsContact CD1-N 3.33Å
988	G	65.5	Low	60.4	Low	30 Å²	30	84 Å²	84	31%	0.309	50%	0.501	S	S	.	.			trans	-56.7	146.3	167.9	0	0	0	0	0	111.8	A990 A991	G988-A990 PolarHBondContact O-N 2.94Å; G988-A991 PolarHBondContact O-N 3.28Å
989	A	53	Low	59.9	Low	89 Å²	89	83.8 Å²	83.8	74%	0.736	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	15.5	-173.6	0	0	0	0	0	115.9
990	A	45	Very low	60	Low	100 Å²	100	80.6 Å²	80.6	83%	0.826	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129	-0.5	-176.3	0	0	0	0	0	114.4	G988 G992	G988-A990 PolarHBondContact O-N 2.94Å; A990-G992 VanDerWaalsContact C-N 3.27Å; A990-G992 PolarHBondContact O-N 3.28Å; A990-G992 VanDerWaalsContact O-N 3.07Å
991	A	34	Very low	60.3	Low	82 Å²	82	76.6 Å²	76.6	68%	0.678	46%	0.46	S	S	*	.			trans	-87.3	46.7	-173.4	0	0	0	0	0	114.3	G988 G993	G988-A991 PolarHBondContact O-N 3.28Å; A991-G993 PolarHBondContact O-N 2.76Å
992	G	29.2	Very low	60.2	Low	82 Å²	82	76.7 Å²	76.7	85%	0.845	45%	0.45	S	S	*	.			trans	-77.8	80.7	176.8	0	0	0	0	0	113.3	A990	A990-G992 VanDerWaalsContact C-N 3.27Å; A990-G992 PolarHBondContact O-N 3.28Å; A990-G992 VanDerWaalsContact O-N 3.07Å
993	G	30.6	Very low	59.6	Low	63 Å²	63	79 Å²	79	65%	0.649	47%	0.474	S	S	*	.	S	Bend	trans	93.5	124.9	167.3	0	0	0	0	0	116.1	A991	A991-G993 PolarHBondContact O-N 2.76Å
994	R	32.4	Very low	58.5	Low	231 Å²	231	78.5 Å²	78.5	87%	0.872	49%	0.491	S	S	*	.			trans	151.3	77	157.9	-85.9	166.7	-167.7	-142	6	110.7
995	I	33.6	Very low	58	Low	142 Å²	142	79.5 Å²	79.5	73%	0.728	50%	0.498	S	S	*	.	S	Bend	trans	-126.8	16.7	167.3	-48.4	-177.4	0	0	0	111.3
996	W	31.1	Very low	57.5	Low	255 Å²	255	84.5 Å²	84.5	97%	0.966	52%	0.52	S	S	*	.	S	Bend	trans	-117.9	21.5	179.7	-76.2	97.7	0	0	0	113.4
997	S	41.5	Very low	57.2	Low	57 Å²	57	84.8 Å²	84.8	40%	0.399	52%	0.523	S	S	.	.			trans	-143.8	2	-165.6	-44.2	0	0	0	0	116.2	H999 G1000	S997-H999 PolarHBondContact O-N 2.85Å; S997-G1000 PolarHBondContact O-N 3.05Å
998	I	52.2	Low	57.4	Low	129 Å²	129	86.5 Å²	86.5	66%	0.662	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.5	-165	4.3	175.1	0	0	0	115.5
999	H	61.9	Low	58.1	Low	71 Å²	71	88.2 Å²	88.2	33%	0.329	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-7.7	177.9	-62.3	-47.7	0	0	0	113.9	S997 C1001 A1007 Q1040	S997-H999 PolarHBondContact O-N 2.85Å; H999-C1001 PolarHBondContact O-N 3.41Å; H999-A1007 HydrophobicContact CB-CB 3.91Å; H999-Q1040 PolarHBondContact O-NE2 2.65Å
1000	G	72.5	Confident	58.9	Low	8 Å²	8	87.5 Å²	87.5	8%	0.082	51%	0.512	C	S	.	.			trans	66.6	13.9	174.7	0	0	0	0	0	116.5	S997 S1033	S997-G1000 PolarHBondContact O-N 3.05Å; G1000-S1033 VanDerWaalsContact CA-OG 3.27Å; G1000-S1033 WeakPolarHBondContact CA-OG 2.97Å; G1000-S1033 WeakPolarHBondContact O-CA 3.33Å; G1000-S1033 WeakPolarHBondContact O-CB 3.04Å; G1000-S1033 PolarHBondContact O-OG 3.46Å
1001	C	82.6	Confident	59.8	Low	24 Å²	24	91.9 Å²	91.9	16%	0.162	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-95.1	160.2	174.1	-68.6	0	0	0	0	111.9	H999 T1005 A1007 Q1040 C1042	H999-C1001 PolarHBondContact O-N 3.41Å; C1001-T1005 WeakPolarHBondContact CB-OG1 3.48Å; C1001-A1007 WeakPolarHBondContact SG-CA 3.05Å; C1001-A1007 PolarHBondContact SG-N 2.97Å; C1001-A1007 VanDerWaalsContact SG-N 3.38Å; C1001-Q1040 PolarHBondContact SG-NE2 2.66Å; C1001-C1042 VanDerWaalsContact CA-SG 3.54Å; C1001-C1042 HydrophobicContact CB-CB 3.72Å; C1001-C1042 WeakPolarHBondContact CB-SG 3.14Å; C1001-C1042 WeakPolarHBondContact SG-CB 3.44Å; C1001-C1042 CovalentContact SG-SG 2.03Å; C1001-C1042 PolarHBondContact SG-SG 3.37Å
1002	P	75.9	Confident	61.5	Low	58 Å²	58	90.6 Å²	90.6	38%	0.377	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-57.3	153.5	173.8	-26.8	36.4	0	0	0	113.8	G1004 T1005 Q1031	P1002-G1004 PolarHBondContact O-N 3.19Å; P1002-T1005 WeakPolarHBondContact CD-OG1 3.43Å; P1002-T1005 PolarHBondContact O-N 3.17Å; P1002-T1005 PolarHBondContact O-OG1 3.2Å; P1002-Q1031 VanDerWaalsContact CG-OE1 3.27Å
1003	P	69.3	Low	63.7	Low	138 Å²	138	91.3 Å²	91.3	90%	0.896	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	131.9	179	-27	35.1	0	0	0	112.8	T1005	P1003-T1005 VanDerWaalsContact C-N 3.33Å
1004	G	66.3	Low	66.1	Low	61 Å²	61	89 Å²	89	63%	0.629	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	-3.5	-176.4	0	0	0	0	0	115.3	P1002	P1002-G1004 PolarHBondContact O-N 3.19Å
1005	T	78.9	Confident	68.8	Low	34 Å²	34	80.9 Å²	80.9	21%	0.209	44%	0.439	C	S	.	.			trans	-118.2	150.3	173.6	64.2	0	0	0	0	112.1	C1001 P1002 P1003 G1043 L1044	C1001-T1005 WeakPolarHBondContact CB-OG1 3.48Å; P1002-T1005 WeakPolarHBondContact CD-OG1 3.43Å; P1002-T1005 PolarHBondContact O-N 3.17Å; P1002-T1005 PolarHBondContact O-OG1 3.2Å; P1003-T1005 VanDerWaalsContact C-N 3.33Å; T1005-G1043 CarbonylContact C-O 3.6Å; T1005-G1043 WeakPolarHBondContact CA-O 3.37Å; T1005-G1043 WeakPolarHBondContact CB-O 3.38Å; T1005-L1044 HydrophobicContact CG2-CD2 4.33Å
1006	F	80.8	Confident	71.3	Confident	106 Å²	106	77.8 Å²	77.8	47%	0.465	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	147.7	-178.2	-58.4	-98.9	0	0	0	109.1	C1042 G1043 G1045	F1006-C1042 WeakPolarHBondContact O-CA 3.26Å; F1006-G1043 PolarHBondContact N-O 3.06Å; F1006-G1043 PolarHBondContact O-N 3.21Å; F1006-G1045 VanDerWaalsContact CD2-CA 3.48Å
1007	A	83.7	Confident	74.2	Confident	6 Å²	6	66.3 Å²	66.3	5%	0.05	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	143.5	174.6	0	0	0	0	0	110.7	H999 C1001 L1009 P1014 C1041	H999-A1007 HydrophobicContact CB-CB 3.91Å; C1001-A1007 WeakPolarHBondContact SG-CA 3.05Å; C1001-A1007 PolarHBondContact SG-N 2.97Å; C1001-A1007 VanDerWaalsContact SG-N 3.38Å; A1007-L1009 HydrophobicContact CB-CD2 3.93Å; A1007-L1009 PolarHBondContact O-N 3.2Å; A1007-P1014 HydrophobicContact CB-CB 3.84Å; A1007-P1014 HydrophobicContact CB-CG 4.03Å; A1007-C1041 CarbonylContact C-O 3.4Å; A1007-C1041 WeakPolarHBondContact CA-O 3.25Å
1008	Y	85	Confident	76.2	Confident	51 Å²	51	70.4 Å²	70.4	20%	0.2	40%	0.401	C	S	.	.			trans	-70.7	109.7	165.3	-173	-122.1	0	0	0	108.5	I1010 Q1015 P1025 Y1028 C1041	Y1008-I1010 HydrophobicContact CD1-CG1 4.37Å; Y1008-I1010 HydrophobicContact CE1-CD1 3.9Å; Y1008-I1010 HydrophobicContact CE1-CG1 3.78Å; Y1008-Q1015 HydrophobicContact CD1-CB 4.02Å; Y1008-Q1015 HydrophobicContact CD1-CG 3.68Å; Y1008-Q1015 HydrophobicContact CE1-CG 4.16Å; Y1008-Q1015 PolarHBondContact O-N 2.99Å; Y1008-P1025 HydrophobicContact CD1-CG 3.77Å; Y1008-P1025 HydrophobicContact CD2-CG 3.94Å; Y1008-P1025 HydrophobicContact CE1-CG 3.72Å; Y1008-P1025 HydrophobicContact CE2-CG 3.91Å; Y1008-P1025 HydrophobicContact CG-CG 3.89Å; Y1008-Y1028 HydrophobicContact CD2-CD2 4.23Å; Y1008-Y1028 HydrophobicContact CD2-CE1 4.22Å; Y1008-Y1028 AromaticContact CD2-CE2 3.8Å; Y1008-Y1028 HydrophobicContact CD2-CE2 3.8Å; Y1008-Y1028 AromaticContact CD2-CZ 3.79Å; Y1008-Y1028 HydrophobicContact CG-CD1 4.46Å; Y1008-Y1028 HydrophobicContact CG-CE1 4.39Å; Y1008-Y1028 HydrophobicContact CG-CE2 4.48Å; Y1008-C1041 PolarHBondContact N-O 2.92Å
1009	L	79.9	Confident	77.6	Confident	66 Å²	66	68 Å²	68	35%	0.346	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.6	-179.4	-55.1	-178.8	0	0	0	109.9	A1007 P1014	A1007-L1009 HydrophobicContact CB-CD2 3.93Å; A1007-L1009 PolarHBondContact O-N 3.2Å; L1009-P1014 HydrophobicContact CD2-CB 4.35Å; L1009-P1014 HydrophobicContact CD2-CG 3.77Å
1010	I	71.3	Confident	78.1	Confident	74 Å²	74	69 Å²	69	38%	0.379	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.3	158.5	-60	-179.7	0	0	0	106.1	Y1008 G1012 I1013 Q1015	Y1008-I1010 HydrophobicContact CD1-CG1 4.37Å; Y1008-I1010 HydrophobicContact CE1-CD1 3.9Å; Y1008-I1010 HydrophobicContact CE1-CG1 3.78Å; I1010-G1012 PolarHBondContact O-N 3.27Å; I1010-G1012 VanDerWaalsContact O-N 3.11Å; I1010-I1013 PolarHBondContact N-O 3.24Å; I1010-I1013 PolarHBondContact O-N 3.14Å; I1010-Q1015 HydrophobicContact CB-CG 4.16Å; I1010-Q1015 HydrophobicContact CD1-CG 3.72Å; I1010-Q1015 HydrophobicContact CG1-CG 3.64Å
1011	Q	64.2	Low	77.9	Confident	191 Å²	191	70.7 Å²	70.7	89%	0.893	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	34.9	-177.4	-63.8	175.3	-24.4	0	0	113.7	I1013	Q1011-I1013 VanDerWaalsContact C-N 3.31Å; Q1011-I1013 PolarHBondContact O-N 2.85Å
1012	G	69.1	Low	77.4	Confident	56 Å²	56	79.1 Å²	79.1	58%	0.577	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-3	-179.2	0	0	0	0	0	115.6	I1010	I1010-G1012 PolarHBondContact O-N 3.27Å; I1010-G1012 VanDerWaalsContact O-N 3.11Å
1013	I	75.5	Confident	77.5	Confident	97 Å²	97	80.2 Å²	80.2	50%	0.497	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126.2	-176.7	-56.7	175.8	0	0	0	110.5	I1010 Q1011 Q1015	I1010-I1013 PolarHBondContact N-O 3.24Å; I1010-I1013 PolarHBondContact O-N 3.14Å; Q1011-I1013 VanDerWaalsContact C-N 3.31Å; Q1011-I1013 PolarHBondContact O-N 2.85Å; I1013-Q1015 PolarHBondContact O-N 2.05Å
1014	P	81.5	Confident	78.3	Confident	15 Å²	15	74.7 Å²	74.7	10%	0.097	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	118	172.6	-28.1	36.6	0	0	0	112.6	A1007 L1009 S1016 R1038	A1007-P1014 HydrophobicContact CB-CB 3.84Å; A1007-P1014 HydrophobicContact CB-CG 4.03Å; L1009-P1014 HydrophobicContact CD2-CB 4.35Å; L1009-P1014 HydrophobicContact CD2-CG 3.77Å; P1014-S1016 PolarHBondContact O-N 2.79Å; P1014-R1038 PolarHBondContact O-NH2 2.81Å
1015	Q	87.7	Confident	79.1	Confident	60 Å²	60	74 Å²	74	28%	0.28	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-67.3	126.5	-179.2	-73.1	-57.7	-68.9	0	0	112.2	Y1008 I1010 I1013 Q1040 C1041	Y1008-Q1015 HydrophobicContact CD1-CB 4.02Å; Y1008-Q1015 HydrophobicContact CD1-CG 3.68Å; Y1008-Q1015 HydrophobicContact CE1-CG 4.16Å; Y1008-Q1015 PolarHBondContact O-N 2.99Å; I1010-Q1015 HydrophobicContact CB-CG 4.16Å; I1010-Q1015 HydrophobicContact CD1-CG 3.72Å; I1010-Q1015 HydrophobicContact CG1-CG 3.64Å; I1013-Q1015 PolarHBondContact O-N 2.05Å; Q1015-Q1040 CarbonylContact O-C 3.51Å; Q1015-Q1040 WeakPolarHBondContact O-CA 3.37Å; Q1015-Q1040 WeakPolarHBondContact O-CB 3.04Å; Q1015-C1041 PolarHBondContact O-N 2.86Å
1016	S	87.3	Confident	79.1	Confident	76 Å²	76	79.7 Å²	79.7	53%	0.531	46%	0.46	S	S	.	.	B	Isolated β-bridge	trans	-74	152.5	174	49.3	0	0	0	0	112	P1014 Y1039	P1014-S1016 PolarHBondContact O-N 2.79Å; S1016-Y1039 VanDerWaalsContact CA-O 3.28Å; S1016-Y1039 WeakPolarHBondContact CA-O 2.97Å
1017	C	90.2	Very high	79	Confident	15 Å²	15	77.6 Å²	77.6	10%	0.101	47%	0.468	C	S	.	.			trans	-145	162.6	179.1	58.9	0	0	0	0	110.7	T1023 C1030 Y1039 Q1040	C1017-T1023 WeakPolarHBondContact CA-OG1 3.41Å; C1017-T1023 WeakPolarHBondContact CB-OG1 3.38Å; C1017-C1030 VanDerWaalsContact C-SG 3.59Å; C1017-C1030 HydrophobicContact CB-CB 3.77Å; C1017-C1030 WeakPolarHBondContact CB-SG 3.46Å; C1017-C1030 WeakPolarHBondContact SG-CA 3.23Å; C1017-C1030 WeakPolarHBondContact SG-CB 3.39Å; C1017-C1030 CovalentContact SG-SG 2.03Å; C1017-C1030 PolarHBondContact SG-SG 3.29Å; C1017-Y1039 PolarHBondContact N-O 2.91Å; C1017-Y1039 VanDerWaalsContact N-O 3.13Å; C1017-Y1039 WeakPolarHBondContact O-CB 3.34Å; C1017-Q1040 VanDerWaalsContact SG-CA 3.52Å; C1017-Q1040 PolarHBondContact SG-N 3.39Å; C1017-Q1040 VanDerWaalsContact SG-N 3.37Å; C1017-Q1040 PolarHBondContact SG-O 3.3Å
1018	Q	85.1	Confident	79.1	Confident	142 Å²	142	78.6 Å²	78.6	66%	0.664	47%	0.471	S	S	*	.			trans	-101.3	138.9	169.5	-88.5	170.5	-57.6	0	0	110.8	G1020 S1021	Q1018-G1020 PolarHBondContact O-N 3.24Å; Q1018-S1021 PolarHBondContact N-OG 3.17Å; Q1018-S1021 WeakPolarHBondContact O-CB 3.48Å; Q1018-S1021 PolarHBondContact O-N 3Å; Q1018-S1021 VanDerWaalsContact O-N 3.09Å; Q1018-S1021 PolarHBondContact O-OG 3.19Å
1019	P	80.2	Confident	79.2	Confident	80 Å²	80	80 Å²	80	52%	0.519	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	130.2	174.2	-25.4	34.4	0	0	0	111.6	S1021 Y1039	P1019-S1021 VanDerWaalsContact C-N 3.31Å; P1019-S1021 PolarHBondContact O-N 2.93Å; P1019-Y1039 HydrophobicContact CG-CD1 3.83Å; P1019-Y1039 HydrophobicContact CG-CD2 3.7Å; P1019-Y1039 HydrophobicContact CG-CE1 3.66Å; P1019-Y1039 HydrophobicContact CG-CE2 3.53Å; P1019-Y1039 HydrophobicContact CG-CG 3.85Å
1020	G	72.3	Confident	79.7	Confident	92 Å²	92	78.5 Å²	78.5	95%	0.948	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	-2.6	-179.5	0	0	0	0	0	116.2	Q1018	Q1018-G1020 PolarHBondContact O-N 3.24Å
1021	S	69	Low	80.4	Confident	42 Å²	42	77.6 Å²	77.6	29%	0.294	47%	0.474	S	S	.	.			trans	-92.6	150	177.8	69	0	0	0	0	112.9	Q1018 P1019 T1023	Q1018-S1021 PolarHBondContact N-OG 3.17Å; Q1018-S1021 WeakPolarHBondContact O-CB 3.48Å; Q1018-S1021 PolarHBondContact O-N 3Å; Q1018-S1021 VanDerWaalsContact O-N 3.09Å; Q1018-S1021 PolarHBondContact O-OG 3.19Å; P1019-S1021 VanDerWaalsContact C-N 3.31Å; P1019-S1021 PolarHBondContact O-N 2.93Å; S1021-T1023 PolarHBondContact O-N 2.83Å; S1021-T1023 VanDerWaalsContact O-N 3.1Å; S1021-T1023 WeakPolarHBondContact OG-CG2 3.33Å; S1021-T1023 PolarHBondContact OG-OG1 3.26Å
1022	Q	71.4	Confident	81.6	Confident	202 Å²	202	74.7 Å²	74.7	94%	0.944	46%	0.456	S	S	*	.	S	Bend	trans	-80	31.1	175.1	-66.3	-169.3	-3.9	0	0	113.1	C1024	Q1022-C1024 VanDerWaalsContact C-N 3.32Å; Q1022-C1024 PolarHBondContact O-N 3.19Å
1023	T	79.2	Confident	82.3	Confident	80 Å²	80	72 Å²	72	49%	0.491	43%	0.428	S	S	.	.			trans	-76.4	-15.9	-175.7	58.2	0	0	0	0	114.1	C1017 S1021	C1017-T1023 WeakPolarHBondContact CA-OG1 3.41Å; C1017-T1023 WeakPolarHBondContact CB-OG1 3.38Å; S1021-T1023 PolarHBondContact O-N 2.83Å; S1021-T1023 VanDerWaalsContact O-N 3.1Å; S1021-T1023 WeakPolarHBondContact OG-CG2 3.33Å; S1021-T1023 PolarHBondContact OG-OG1 3.26Å
1024	C	86.4	Confident	82.4	Confident	22 Å²	22	72.6 Å²	72.6	15%	0.149	44%	0.44	C	S	.	.	S	Bend	trans	-88.7	137.1	177.9	-62.3	0	0	0	0	111.2	Q1022 Y1028 C1041	Q1022-C1024 VanDerWaalsContact C-N 3.32Å; Q1022-C1024 PolarHBondContact O-N 3.19Å; C1024-Y1028 WeakPolarHBondContact CB-O 3.37Å; C1024-C1041 WeakPolarHBondContact CA-SG 3.31Å; C1024-C1041 HydrophobicContact CB-CB 3.83Å; C1024-C1041 WeakPolarHBondContact CB-SG 3.49Å; C1024-C1041 WeakPolarHBondContact SG-CA 3.49Å; C1024-C1041 WeakPolarHBondContact SG-CB 3.3Å; C1024-C1041 CovalentContact SG-SG 2.04Å; C1024-C1041 PolarHBondContact SG-SG 3.2Å
1025	P	83.3	Confident	82	Confident	46 Å²	46	75.6 Å²	75.6	30%	0.299	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-66.3	159.9	176.5	29.3	-35.8	0	0	0	111.6	Y1008 G1027 Y1028	Y1008-P1025 HydrophobicContact CD1-CG 3.77Å; Y1008-P1025 HydrophobicContact CD2-CG 3.94Å; Y1008-P1025 HydrophobicContact CE1-CG 3.72Å; Y1008-P1025 HydrophobicContact CE2-CG 3.91Å; Y1008-P1025 HydrophobicContact CG-CG 3.89Å; P1025-G1027 PolarHBondContact O-N 3.05Å; P1025-Y1028 HydrophobicContact CG-CD2 3.91Å; P1025-Y1028 HydrophobicContact CG-CG 4.4Å; P1025-Y1028 PolarHBondContact O-N 2.92Å
1026	V	77.7	Confident	81.5	Confident	155 Å²	155	76.2 Å²	76.2	94%	0.939	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	127.4	179	-177.6	0	0	0	0	110.6
1027	G	78.8	Confident	81.3	Confident	61 Å²	61	75 Å²	75	63%	0.629	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.5	-9	-175.2	0	0	0	0	0	115.2	P1025 G1043	P1025-G1027 PolarHBondContact O-N 3.05Å; G1027-G1043 WeakPolarHBondContact O-CA 3.23Å
1028	Y	86.9	Confident	81.2	Confident	27 Å²	27	79 Å²	79	11%	0.106	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.8	175.1	-66.3	-100	0	0	0	111.3	Y1008 C1024 P1025 C1042 G1043 G1045 P1046	Y1008-Y1028 HydrophobicContact CD2-CD2 4.23Å; Y1008-Y1028 HydrophobicContact CD2-CE1 4.22Å; Y1008-Y1028 AromaticContact CD2-CE2 3.8Å; Y1008-Y1028 HydrophobicContact CD2-CE2 3.8Å; Y1008-Y1028 AromaticContact CD2-CZ 3.79Å; Y1008-Y1028 HydrophobicContact CG-CD1 4.46Å; Y1008-Y1028 HydrophobicContact CG-CE1 4.39Å; Y1008-Y1028 HydrophobicContact CG-CE2 4.48Å; C1024-Y1028 WeakPolarHBondContact CB-O 3.37Å; P1025-Y1028 HydrophobicContact CG-CD2 3.91Å; P1025-Y1028 HydrophobicContact CG-CG 4.4Å; P1025-Y1028 PolarHBondContact O-N 2.92Å; Y1028-C1042 WeakPolarHBondContact CA-O 3.43Å; Y1028-G1043 VanDerWaalsContact CD1-N 3.28Å; Y1028-G1045 PolarHBondContact OH-O 3.2Å; Y1028-P1046 WeakPolarHBondContact OH-CA 3.45Å
1029	T	86.3	Confident	81.4	Confident	81 Å²	81	77.1 Å²	77.1	50%	0.497	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	151.2	175.1	47.2	0	0	0	0	110.8	Q1031 C1041 C1042	T1029-Q1031 PolarHBondContact O-N 2.81Å; T1029-Q1031 PolarHBondContact OG1-NE2 3Å; T1029-C1041 WeakPolarHBondContact O-CA 3Å; T1029-C1042 PolarHBondContact N-O 3.41Å; T1029-C1042 PolarHBondContact O-N 3.44Å; T1029-C1042 PolarHBondContact OG1-O 2.79Å
1030	C	91.3	Very high	82	Confident	35 Å²	35	73.3 Å²	73.3	24%	0.236	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	113.1	179.6	-172.9	0	0	0	0	110.6	C1017	C1017-C1030 VanDerWaalsContact C-SG 3.59Å; C1017-C1030 HydrophobicContact CB-CB 3.77Å; C1017-C1030 WeakPolarHBondContact CB-SG 3.46Å; C1017-C1030 WeakPolarHBondContact SG-CA 3.23Å; C1017-C1030 WeakPolarHBondContact SG-CB 3.39Å; C1017-C1030 CovalentContact SG-SG 2.03Å; C1017-C1030 PolarHBondContact SG-SG 3.29Å
1031	Q	86.3	Confident	82.9	Confident	55 Å²	55	69 Å²	69	26%	0.257	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.5	-174	-62.9	-176.2	-3.1	0	0	110.9	P1002 T1029 S1033 Y1039 Q1040 C1042	P1002-Q1031 VanDerWaalsContact CG-OE1 3.27Å; T1029-Q1031 PolarHBondContact O-N 2.81Å; T1029-Q1031 PolarHBondContact OG1-NE2 3Å; Q1031-S1033 PolarHBondContact O-N 3.48Å; Q1031-Y1039 WeakPolarHBondContact O-CA 3.47Å; Q1031-Q1040 PolarHBondContact N-O 2.03Å; Q1031-Q1040 PolarHBondContact O-N 3.49Å; Q1031-Q1040 VanDerWaalsContact O-O 3.08Å; Q1031-C1042 HydrophobicContact CB-CB 4.15Å; Q1031-C1042 HydrophobicContact CG-CB 4.24Å
1032	Y	87.4	Confident	83.9	Confident	130 Å²	130	67 Å²	67	51%	0.51	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	123.5	179.5	-172.4	-101.9	0	0	0	110.9	Y1039	Y1032-Y1039 HydrophobicContact CD2-CD1 4.33Å; Y1032-Y1039 AromaticContact CD2-CD2 3.86Å; Y1032-Y1039 HydrophobicContact CD2-CD2 3.86Å; Y1032-Y1039 HydrophobicContact CD2-CE1 4.26Å; Y1032-Y1039 AromaticContact CD2-CE2 3.78Å; Y1032-Y1039 HydrophobicContact CD2-CE2 3.78Å; Y1032-Y1039 HydrophobicContact CD2-CG 4.14Å; Y1032-Y1039 AromaticContact CD2-CZ 3.99Å; Y1032-Y1039 HydrophobicContact CE2-CE2 4.49Å; Y1032-Y1039 HydrophobicContact CG-CE1 4.45Å
1033	S	84.1	Confident	84.5	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	112.9	172.2	-174.2	0	0	0	0	110.9	G1000 Q1031 V1035 H1036 G1037 R1038	G1000-S1033 VanDerWaalsContact CA-OG 3.27Å; G1000-S1033 WeakPolarHBondContact CA-OG 2.97Å; G1000-S1033 WeakPolarHBondContact O-CA 3.33Å; G1000-S1033 WeakPolarHBondContact O-CB 3.04Å; G1000-S1033 PolarHBondContact O-OG 3.46Å; Q1031-S1033 PolarHBondContact O-N 3.48Å; S1033-V1035 PolarHBondContact O-N 3.47Å; S1033-V1035 PolarHBondContact OG-N 2.86Å; S1033-H1036 PolarHBondContact O-N 2.94Å; S1033-H1036 PolarHBondContact OG-N 3.04Å; S1033-H1036 VanDerWaalsContact OG-N 3.17Å; S1033-G1037 WeakPolarHBondContact O-CA 3.34Å; S1033-G1037 PolarHBondContact O-N 3.38Å; S1033-R1038 WeakPolarHBondContact CB-O 3.43Å; S1033-R1038 PolarHBondContact N-O 3.2Å; S1033-R1038 PolarHBondContact O-N 2.02Å
1034	S	77.8	Confident	84.3	Confident	108 Å²	108	60.7 Å²	60.7	76%	0.755	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.2	168.2	53.4	0	0	0	0	113.3
1035	V	74.4	Confident	83	Confident	79 Å²	79	60.5 Å²	60.5	48%	0.479	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-36.5	177.2	-178.5	0	0	0	0	111.6	S1033	S1033-V1035 PolarHBondContact O-N 3.47Å; S1033-V1035 PolarHBondContact OG-N 2.86Å
1036	H	76.9	Confident	81.5	Confident	73 Å²	73	63 Å²	63	34%	0.338	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-0.3	-177.8	-57.7	132.5	0	0	0	114.8	S1033 R1038 Q1040	S1033-H1036 PolarHBondContact O-N 2.94Å; S1033-H1036 PolarHBondContact OG-N 3.04Å; S1033-H1036 VanDerWaalsContact OG-N 3.17Å; H1036-R1038 HydrophobicContact CB-CG 4.11Å; H1036-R1038 PolarHBondContact O-N 3.27Å; H1036-Q1040 PolarHBondContact ND1-OE1 2.84Å
1037	G	82.7	Confident	79.6	Confident	50 Å²	50	64 Å²	64	52%	0.515	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	22.4	178.6	0	0	0	0	0	114.6	S1033	S1033-G1037 WeakPolarHBondContact O-CA 3.34Å; S1033-G1037 PolarHBondContact O-N 3.38Å
1038	R	87.5	Confident	77.5	Confident	100 Å²	100	70 Å²	70	38%	0.377	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	157.6	-174	73	-173.6	-170.3	-164.1	5.8	112.5	P1014 S1033 H1036	P1014-R1038 PolarHBondContact O-NH2 2.81Å; S1033-R1038 WeakPolarHBondContact CB-O 3.43Å; S1033-R1038 PolarHBondContact N-O 3.2Å; S1033-R1038 PolarHBondContact O-N 2.02Å; H1036-R1038 HydrophobicContact CB-CG 4.11Å; H1036-R1038 PolarHBondContact O-N 3.27Å
1039	Y	90.7	Very high	75	Confident	102 Å²	102	73 Å²	73	40%	0.4	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	133.5	167	-74.1	-83.8	0	0	0	110.9	S1016 C1017 P1019 Q1031 Y1032	S1016-Y1039 VanDerWaalsContact CA-O 3.28Å; S1016-Y1039 WeakPolarHBondContact CA-O 2.97Å; C1017-Y1039 PolarHBondContact N-O 2.91Å; C1017-Y1039 VanDerWaalsContact N-O 3.13Å; C1017-Y1039 WeakPolarHBondContact O-CB 3.34Å; P1019-Y1039 HydrophobicContact CG-CD1 3.83Å; P1019-Y1039 HydrophobicContact CG-CD2 3.7Å; P1019-Y1039 HydrophobicContact CG-CE1 3.66Å; P1019-Y1039 HydrophobicContact CG-CE2 3.53Å; P1019-Y1039 HydrophobicContact CG-CG 3.85Å; Q1031-Y1039 WeakPolarHBondContact O-CA 3.47Å; Y1032-Y1039 HydrophobicContact CD2-CD1 4.33Å; Y1032-Y1039 AromaticContact CD2-CD2 3.86Å; Y1032-Y1039 HydrophobicContact CD2-CD2 3.86Å; Y1032-Y1039 HydrophobicContact CD2-CE1 4.26Å; Y1032-Y1039 AromaticContact CD2-CE2 3.78Å; Y1032-Y1039 HydrophobicContact CD2-CE2 3.78Å; Y1032-Y1039 HydrophobicContact CD2-CG 4.14Å; Y1032-Y1039 AromaticContact CD2-CZ 3.99Å; Y1032-Y1039 HydrophobicContact CE2-CE2 4.49Å; Y1032-Y1039 HydrophobicContact CG-CE1 4.45Å
1040	Q	91.6	Very high	72.3	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	158.7	-179.7	56.5	171	66.6	0	0	112.1	H999 C1001 Q1015 C1017 Q1031 H1036 C1042	H999-Q1040 PolarHBondContact O-NE2 2.65Å; C1001-Q1040 PolarHBondContact SG-NE2 2.66Å; Q1015-Q1040 CarbonylContact O-C 3.51Å; Q1015-Q1040 WeakPolarHBondContact O-CA 3.37Å; Q1015-Q1040 WeakPolarHBondContact O-CB 3.04Å; C1017-Q1040 VanDerWaalsContact SG-CA 3.52Å; C1017-Q1040 PolarHBondContact SG-N 3.39Å; C1017-Q1040 VanDerWaalsContact SG-N 3.37Å; C1017-Q1040 PolarHBondContact SG-O 3.3Å; Q1031-Q1040 PolarHBondContact N-O 2.03Å; Q1031-Q1040 PolarHBondContact O-N 3.49Å; Q1031-Q1040 VanDerWaalsContact O-O 3.08Å; H1036-Q1040 PolarHBondContact ND1-OE1 2.84Å; Q1040-C1042 PolarHBondContact O-N 3.26Å
1041	C	91.8	Very high	69.6	Low	1 Å²	1	77.9 Å²	77.9	1%	0.007	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	116	179.2	-63.2	0	0	0	0	111	A1007 Y1008 Q1015 C1024 T1029	A1007-C1041 CarbonylContact C-O 3.4Å; A1007-C1041 WeakPolarHBondContact CA-O 3.25Å; Y1008-C1041 PolarHBondContact N-O 2.92Å; Q1015-C1041 PolarHBondContact O-N 2.86Å; C1024-C1041 WeakPolarHBondContact CA-SG 3.31Å; C1024-C1041 HydrophobicContact CB-CB 3.83Å; C1024-C1041 WeakPolarHBondContact CB-SG 3.49Å; C1024-C1041 WeakPolarHBondContact SG-CA 3.49Å; C1024-C1041 WeakPolarHBondContact SG-CB 3.3Å; C1024-C1041 CovalentContact SG-SG 2.04Å; C1024-C1041 PolarHBondContact SG-SG 3.2Å; T1029-C1041 WeakPolarHBondContact O-CA 3Å
1042	C	89.7	Confident	67.1	Low	1 Å²	1	86.5 Å²	86.5	1%	0.007	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.1	177.8	-65.7	0	0	0	0	110.3	C1001 F1006 Y1028 T1029 Q1031 Q1040	C1001-C1042 VanDerWaalsContact CA-SG 3.54Å; C1001-C1042 HydrophobicContact CB-CB 3.72Å; C1001-C1042 WeakPolarHBondContact CB-SG 3.14Å; C1001-C1042 WeakPolarHBondContact SG-CB 3.44Å; C1001-C1042 CovalentContact SG-SG 2.03Å; C1001-C1042 PolarHBondContact SG-SG 3.37Å; F1006-C1042 WeakPolarHBondContact O-CA 3.26Å; Y1028-C1042 WeakPolarHBondContact CA-O 3.43Å; T1029-C1042 PolarHBondContact N-O 3.41Å; T1029-C1042 PolarHBondContact O-N 3.44Å; T1029-C1042 PolarHBondContact OG1-O 2.79Å; Q1031-C1042 HydrophobicContact CB-CB 4.15Å; Q1031-C1042 HydrophobicContact CG-CB 4.24Å; Q1040-C1042 PolarHBondContact O-N 3.26Å
1043	G	84.6	Confident	64.4	Low	4 Å²	4	88.2 Å²	88.2	4%	0.041	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	176.3	-172.5	0	0	0	0	0	113.2	T1005 F1006 G1027 Y1028 G1045	T1005-G1043 CarbonylContact C-O 3.6Å; T1005-G1043 WeakPolarHBondContact CA-O 3.37Å; T1005-G1043 WeakPolarHBondContact CB-O 3.38Å; F1006-G1043 PolarHBondContact N-O 3.06Å; F1006-G1043 PolarHBondContact O-N 3.21Å; G1027-G1043 WeakPolarHBondContact O-CA 3.23Å; Y1028-G1043 VanDerWaalsContact CD1-N 3.28Å; G1043-G1045 PolarHBondContact O-N 2.71Å
1044	L	74.9	Confident	62	Low	145 Å²	145	98.3 Å²	98.3	76%	0.759	53%	0.526	S	S	*	.	S	Bend	trans	-81.7	56.7	-175	-68.3	173.7	0	0	0	113.1	T1005	T1005-L1044 HydrophobicContact CG2-CD2 4.33Å
1045	G	59.4	Low	59.6	Low	18 Å²	18	99.5 Å²	99.5	19%	0.186	52%	0.523	C	S	.	.	S	Bend	trans	77.3	158.3	173.8	0	0	0	0	0	114.1	F1006 Y1028 G1043 M1047	F1006-G1045 VanDerWaalsContact CD2-CA 3.48Å; Y1028-G1045 PolarHBondContact OH-O 3.2Å; G1043-G1045 PolarHBondContact O-N 2.71Å; G1045-M1047 PolarHBondContact O-N 3.46Å
1046	P	51.3	Low	57.5	Low	99 Å²	99	106.7 Å²	106.7	64%	0.643	54%	0.543	S	S	*	.			trans	-77.9	111.2	-174.7	29.7	-33.5	0	0	0	112.4	Y1028	Y1028-P1046 WeakPolarHBondContact OH-CA 3.45Å
1047	M	36.7	Very low	55.3	Low	176 Å²	176	109.8 Å²	109.8	87%	0.867	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-57.3	139.5	134	-71.2	-164.8	141.2	0	0	108.6	G1045	G1045-M1047 PolarHBondContact O-N 3.46Å
1048	Q	34.9	Very low	52.8	Low	185 Å²	185	114.8 Å²	114.8	86%	0.864	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-61.3	134	179.4	-71.9	-179.1	-21.4	0	0	110.8
1049	P	34.7	Very low	50	Low	91 Å²	91	120.1 Å²	120.1	59%	0.591	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-75.8	136.8	176	30.3	-33.1	0	0	0	111.3	G1051	P1049-G1051 PolarHBondContact O-N 2.93Å
1050	V	30.8	Very low	47.1	Very low	148 Å²	148	126.1 Å²	126.1	90%	0.897	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-70.8	121.8	171.6	-179.5	0	0	0	0	109.5
1051	G	32.9	Very low	44.2	Very low	70 Å²	70	132.8 Å²	132.8	72%	0.722	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-89.1	132.1	175.3	0	0	0	0	0	112.7	P1049	P1049-G1051 PolarHBondContact O-N 2.93Å
1052	R	33.8	Very low	41.2	Very low	237 Å²	237	140.9 Å²	140.9	89%	0.894	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-72.1	168.1	162.6	-55.9	174.6	173	177.5	-3.8	108.7
1053	E	32	Very low	38.4	Very low	165 Å²	165	147.4 Å²	147.4	77%	0.771	74%	0.739	S	S	*	*			cis	-148.8	154.2	25.4	-62	172.2	120.2	0	0	111.1
1054	F	32.2	Very low	35.8	Very low	212 Å²	212	153.3 Å²	153.3	93%	0.93	77%	0.77	S	S	*	*				-163.5	127.1	121.8	-109.5	-73.8	0	0	0	109
1055	L	28.7	Very low	33.8	Very low	134 Å²	134	152.4 Å²	152.4	70%	0.702	77%	0.766	S	S	*	*			trans	-73.8	143	175.1	-71	133.1	0	0	0	110.2
1056	Y	29.7	Very low	32.5	Very low	230 Å²	230	162.5 Å²	162.5	90%	0.902	80%	0.8	S	S	*	*				-162.3	143.5	119.7	-108.2	-72.4	0	0	0	111.1
1057	L	31.2	Very low	31.5	Very low	138 Å²	138	163.4 Å²	163.4	72%	0.723	80%	0.803	S	S	*	*			trans	-78.7	153.7	-175.1	-78.6	79.3	0	0	0	112.8
1058	N	28.7	Very low	31.3	Very low	155 Å²	155	161.4 Å²	161.4	83%	0.829	80%	0.796	S	S	*	*			trans	5.4	116.4	148.7	-76.8	-40.7	0	0	0	117.6
1059	K	30.6	Very low	31.1	Very low	211 Å²	211	160.2 Å²	160.2	92%	0.917	79%	0.789	S	S	*	*			trans	-153.6	132.7	133.5	-113.4	168.1	-174.5	-179.3	0	111.4
1060	R	29.9	Very low	31	Very low	229 Å²	229	163.4 Å²	163.4	86%	0.864	80%	0.795	S	S	*	*			trans	-74.7	169.3	163	-64.3	177.8	170.3	-175.4	-3.7	109.5
1061	L	29.1	Very low	31.1	Very low	139 Å²	139	164.4 Å²	164.4	73%	0.728	79%	0.79	S	S	*	*			trans	108	127.7	147.9	-64.9	139.1	0	0	0	117.6
1062	F	28.7	Very low	31	Very low	171 Å²	171	166.4 Å²	166.4	75%	0.75	79%	0.788	S	S	*	*			trans	56.5	109.6	155.5	-59.3	-58.9	0	0	0	120.4
1063	C	30.9	Very low	31	Very low	139 Å²	139	163.2 Å²	163.2	94%	0.939	78%	0.783	S	S	*	*				-129.3	111.3	111.5	-84.5	0	0	0	0	108.2
1064	N	31.6	Very low	30.9	Very low	128 Å²	128	159.6 Å²	159.6	68%	0.684	78%	0.776	S	S	*	*			trans	-113.2	155.7	160.7	-134.4	37.2	0	0	0	106
1065	D	32.1	Very low	30.9	Very low	126 Å²	126	156.2 Å²	156.2	67%	0.674	78%	0.777	S	S	*	*			trans	60.4	103.4	173.7	-50.2	-41.5	0	0	0	115.7
1066	Y	31.8	Very low	31.1	Very low	230 Å²	230	156.8 Å²	156.8	90%	0.902	78%	0.78	S	S	*	*				-157.6	157.4	84.4	-100.3	-78.2	0	0	0	111.2
1067	T	30.8	Very low	31.1	Very low	117 Å²	117	150.4 Å²	150.4	72%	0.718	77%	0.769	S	S	*	*			trans	-81.2	160.4	-168.6	49.3	0	0	0	0	115
1068	N	31.1	Very low	31.2	Very low	135 Å²	135	156.9 Å²	156.9	72%	0.722	79%	0.792	S	S	*	*			trans	89.9	143.5	139.6	-103.7	4.7	0	0	0	120.6
1069	F	31.7	Very low	31.3	Very low	160 Å²	160	157 Å²	157	70%	0.702	79%	0.79	S	S	*	*			trans	61.6	110.9	173.5	-66.8	-79.3	0	0	0	115.5
1070	E	33.2	Very low	31.3	Very low	157 Å²	157	154.2 Å²	154.2	73%	0.734	78%	0.783	S	S	*	*				110.4	138	53.3	-99.2	-173.3	-175.4	0	0	109.4
1071	E	31.9	Very low	31.4	Very low	170 Å²	170	150 Å²	150	79%	0.794	78%	0.778	S	S	*	*			trans	64.4	115.8	157.6	-63.5	-156.9	144.2	0	0	122.6
1072	V	32	Very low	31.6	Very low	112 Å²	112	150.6 Å²	150.6	68%	0.679	78%	0.781	S	S	*	*				87.9	102	125.8	175.9	0	0	0	0	120
1073	H	33.4	Very low	31.7	Very low	169 Å²	169	149.4 Å²	149.4	78%	0.782	78%	0.783	S	S	*	*			trans	81.4	135.4	136.5	-80.8	-143	0	0	0	123.1
1074	S	29.6	Very low	31.8	Very low	89 Å²	89	150.1 Å²	150.1	62%	0.622	77%	0.773	S	S	*	*			trans	65.5	98	147.3	-67	0	0	0	0	120
1075	C	31.5	Very low	31.8	Very low	142 Å²	142	151.6 Å²	151.6	96%	0.959	78%	0.779	S	S	*	*			trans	-121.6	114.3	134.1	-83.3	0	0	0	0	108.9
1076	I	34	Very low	31.8	Very low	146 Å²	146	153.6 Å²	153.6	75%	0.749	79%	0.787	S	S	*	*			trans	-111.5	147.8	177.8	-71	173.8	0	0	0	108
1077	S	28.6	Very low	31.8	Very low	96 Å²	96	147.3 Å²	147.3	67%	0.671	78%	0.778	S	S	*	*			trans	68.3	143.5	176.4	-79.3	0	0	0	0	115.6
1078	F	33.8	Very low	31.9	Very low	274 Å²	274	150 Å²	150	100%	1.202	78%	0.783	S	S	*	*			cis	-113.2	0	19.8	-100.4	-98	0	0	0	115.3

Retrieved 1,078 of 1,078 residues in 364.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).