A0A087XNN3_POEFO Loading...

pantothenate kinase

AlphaFold DB , UniProt , Accession A0A087XNN3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 456 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	34.1	Very low	233 Å²	233	150.6 Å²	150.6	100%	1.148	78%	0.775	S	S	*	*				0	113.2	0	-70.7	168.1	169.2	0	0	105.6
2	D	36.6	Very low	33.6	Very low	129 Å²	129	144 Å²	144	69%	0.69	77%	0.771	S	S	*	*			cis	-154.4	146.3	12.8	-111.7	-53.3	0	0	0	109.2
3	K	34.7	Very low	33.3	Very low	181 Å²	181	140.7 Å²	140.7	79%	0.787	78%	0.776	S	S	*	*			trans	34.5	112.9	148	-65.9	165.1	-176.4	169.7	0	119.4
4	A	36.4	Very low	33	Very low	92 Å²	92	138.9 Å²	138.9	76%	0.76	78%	0.778	S	S	*	*				68.4	117	66.5	0	0	0	0	0	115.5
5	K	35.1	Very low	32.7	Very low	196 Å²	196	134.7 Å²	134.7	85%	0.852	78%	0.778	S	S	*	*				-179.1	117.2	119.1	-95.6	171.6	179.5	-176.6	0	109.5
6	S	34.4	Very low	33.4	Very low	93 Å²	93	134.4 Å²	134.4	65%	0.65	78%	0.783	S	S	*	*				74.1	135	81.5	124.6	0	0	0	0	111.3
7	L	33.6	Very low	33	Very low	139 Å²	139	137.6 Å²	137.6	73%	0.728	79%	0.785	S	S	*	*			cis	-176.7	137.6	25.6	-102.9	163.3	0	0	0	104.7
8	V	34	Very low	32.8	Very low	115 Å²	115	140.5 Å²	140.5	70%	0.697	79%	0.79	S	S	*	*				69.2	131.4	99.7	169.3	0	0	0	0	112.6
9	D	33	Very low	32.7	Very low	125 Å²	125	139.2 Å²	139.2	67%	0.668	79%	0.786	S	S	*	*			cis	-176.4	174.8	28.4	-140	-15	0	0	0	112.7
10	K	32.2	Very low	32.5	Very low	153 Å²	153	140 Å²	140	67%	0.665	79%	0.788	S	S	*	*			trans	90.1	113.5	141.2	-81.1	164.5	-169.6	177	0	123.8
11	K	31.5	Very low	32.2	Very low	201 Å²	201	140.6 Å²	140.6	87%	0.874	79%	0.789	S	S	*	*				50.9	137.5	118.4	-64.2	-177.9	179	-173.9	0	117.8
12	G	28.1	Very low	31.9	Very low	71 Å²	71	136 Å²	136	73%	0.732	77%	0.774	S	S	*	*			cis	161.4	-175.6	13.9	0	0	0	0	0	109.2
13	A	29.1	Very low	31.5	Very low	101 Å²	101	138.9 Å²	138.9	84%	0.835	78%	0.784	S	S	*	*			trans	77.2	147.7	172.8	0	0	0	0	0	117.4
14	S	30.1	Very low	31.2	Very low	115 Å²	115	135.8 Å²	135.8	80%	0.804	79%	0.785	S	S	*	*			cis	169.6	117.7	-35.3	47.4	0	0	0	0	107.2
15	G	28.3	Very low	31.2	Very low	76 Å²	76	136.7 Å²	136.7	78%	0.784	78%	0.783	S	S	*	*			trans	79.9	165.9	156.9	0	0	0	0	0	119.2
16	P	42.8	Very low	31	Very low	131 Å²	131	139.1 Å²	139.1	85%	0.851	79%	0.787	S	S	*	*			cis	-129.9	176.9	-1.3	38.2	-19.6	0	0	0	115.7
17	F	27.6	Very low	30.6	Very low	188 Å²	188	138.4 Å²	138.4	83%	0.825	79%	0.794	S	S	*	*			trans	-58.6	147	175.8	-78.3	-105.4	0	0	0	115.1
18	H	29.6	Very low	30.4	Very low	190 Å²	190	140 Å²	140	88%	0.88	80%	0.802	S	S	*	*			trans	-135	120.1	149	-101.2	-40.5	0	0	0	111.7
19	V	29.6	Very low	30.1	Very low	116 Å²	116	142.6 Å²	142.6	70%	0.703	81%	0.812	S	S	*	*			trans	-94	128.2	166.9	173.7	0	0	0	0	106.8
20	N	28.7	Very low	29.8	Very low	155 Å²	155	140 Å²	140	83%	0.829	82%	0.815	S	S	*	*			trans	-122.7	113	166	-92.8	-16.9	0	0	0	110.2
21	N	26.6	Very low	29.6	Very low	153 Å²	153	140.4 Å²	140.4	82%	0.818	82%	0.824	S	S	*	*			trans	-77.3	126.8	165.3	-112.8	-13.5	0	0	0	108.8
22	V	28	Very low	29.2	Very low	137 Å²	137	136.9 Å²	136.9	83%	0.83	82%	0.818	S	S	*	*			trans	-138.9	114.6	157.6	-179.6	0	0	0	0	109
23	Q	27.8	Very low	29.1	Very low	189 Å²	189	139.4 Å²	139.4	88%	0.883	82%	0.819	S	S	*	*			trans	-83	139.7	161.5	-75.6	176.1	-30.3	0	0	109.7
24	S	28.5	Very low	28.8	Very low	116 Å²	116	140.2 Å²	140.2	81%	0.811	81%	0.814	S	S	*	*			trans	-172.8	145	139.4	-179.2	0	0	0	0	111.1
25	P	35.7	Very low	28.6	Very low	111 Å²	111	139.4 Å²	139.4	72%	0.721	81%	0.814	S	S	*	*			trans	-104.6	143.6	-163.7	37.6	-27.6	0	0	0	114
26	R	31.1	Very low	28.4	Very low	247 Å²	247	139.5 Å²	139.5	93%	0.932	81%	0.807	S	S	*	*			trans	-151.4	117.5	156.8	-65.4	-172.1	177.6	175.5	-2.2	105.5
27	G	26.5	Very low	27.7	Very low	78 Å²	78	141.5 Å²	141.5	80%	0.804	81%	0.811	S	S	*	*			cis	87.5	73.4	48.8	0	0	0	0	0	108.5
28	L	29.5	Very low	27.6	Very low	173 Å²	173	136.1 Å²	136.1	91%	0.906	81%	0.808	S	S	*	*			trans	-142.4	112.1	172.8	-101.9	149.3	0	0	0	110.1
29	N	27.9	Very low	27.3	Very low	168 Å²	168	132.5 Å²	132.5	90%	0.898	80%	0.804	S	S	*	*			trans	-59	132.1	170.3	-74.3	-32	0	0	0	110.8
30	G	27.3	Very low	27.1	Very low	70 Å²	70	133 Å²	133	72%	0.722	81%	0.811	S	S	*	*			trans	-136.4	108.8	166.4	0	0	0	0	0	109.1	V32	G30-V32 PolarHBondContact O-N 3.14Å
31	L	26.5	Very low	26.9	Very low	163 Å²	163	130.8 Å²	130.8	85%	0.853	81%	0.808	S	S	*	*			trans	-43.7	123.7	178.7	-103.7	73.2	0	0	0	112.7
32	V	24.2	Very low	26.9	Very low	126 Å²	126	129.9 Å²	129.9	76%	0.764	81%	0.808	S	S	*	*			trans	-92.8	110.6	158.9	-178.7	0	0	0	0	106.9	G30 V34	G30-V32 PolarHBondContact O-N 3.14Å; V32-V34 HydrophobicContact CG1-CG2 3.72Å; V32-V34 PolarHBondContact O-N 3.24Å
33	V	25.3	Very low	26.8	Very low	125 Å²	125	128.4 Å²	128.4	76%	0.758	80%	0.804	S	S	*	*			trans	-86.2	97.7	167.9	178.4	0	0	0	0	107.4
34	V	24.4	Very low	26.7	Very low	118 Å²	118	127.1 Å²	127.1	72%	0.715	80%	0.803	S	S	*	*			trans	-87.1	111.7	163.3	179.7	0	0	0	0	107	V32	V32-V34 HydrophobicContact CG1-CG2 3.72Å; V32-V34 PolarHBondContact O-N 3.24Å
35	A	25.4	Very low	26.5	Very low	97 Å²	97	125.8 Å²	125.8	80%	0.802	80%	0.799	S	S	*	*			trans	-96.4	100.1	163	0	0	0	0	0	108.1
36	A	24	Very low	26	Very low	78 Å²	78	130.2 Å²	130.2	65%	0.645	81%	0.808	S	S	*	*			trans	-87	136.9	161.4	0	0	0	0	0	108.7
37	N	26.9	Very low	25.8	Very low	174 Å²	174	122 Å²	122	93%	0.93	80%	0.8	S	S	*	*			trans	178.1	132.3	153.9	-89	-16.1	0	0	0	105
38	G	25.5	Very low	25.6	Very low	74 Å²	74	126.6 Å²	126.6	76%	0.763	81%	0.805	S	S	*	*			cis	174.1	132	5.1	0	0	0	0	0	104.3
39	S	24.5	Very low	25.4	Very low	115 Å²	115	124 Å²	124	80%	0.804	80%	0.801	S	S	*	*			trans	-60	142.8	175.6	45.8	0	0	0	0	112.5
40	C	25	Very low	25.4	Very low	126 Å²	126	122.7 Å²	122.7	85%	0.851	80%	0.799	S	S	*	*			trans	-147.2	115.1	143.5	-149.3	0	0	0	0	110.7
41	S	24.3	Very low	25.3	Very low	108 Å²	108	122.8 Å²	122.8	76%	0.755	80%	0.8	S	S	*	*			trans	-90	130.9	174.4	-13.3	0	0	0	0	108.4
42	T	26.4	Very low	25.5	Very low	135 Å²	135	121.5 Å²	121.5	83%	0.828	80%	0.802	S	S	*	*			trans	-136.2	108.7	155.4	47.2	0	0	0	0	109.3
43	S	25.9	Very low	25.6	Very low	106 Å²	106	121 Å²	121	74%	0.741	80%	0.804	S	S	*	*			trans	-57.7	137.8	160.5	47.9	0	0	0	0	111.2
44	N	25.4	Very low	25.6	Very low	161 Å²	161	120.6 Å²	120.6	86%	0.861	81%	0.806	S	S	*	*			trans	-152.5	116.3	140.6	-98.8	-16.9	0	0	0	109.6
45	A	24.1	Very low	25.6	Very low	88 Å²	88	119.5 Å²	119.5	73%	0.727	80%	0.804	S	S	*	*			trans	-92.8	133.8	168.7	0	0	0	0	0	107.9
46	F	26.6	Very low	25.5	Very low	205 Å²	205	121.1 Å²	121.1	90%	0.899	80%	0.804	S	S	*	*			trans	-153.9	117.6	152.7	-95.5	-72.1	0	0	0	111.4
47	G	25.7	Very low	25.5	Very low	74 Å²	74	126.7 Å²	126.7	76%	0.763	81%	0.814	S	S	*	*			trans	67.3	99.3	130.2	0	0	0	0	0	119.5
48	L	23.9	Very low	25.4	Very low	175 Å²	175	126 Å²	126	92%	0.916	81%	0.805	S	S	*	*			trans	-65.6	137.1	152.9	-82	101.2	0	0	0	110.9
49	S	24.2	Very low	25.3	Very low	119 Å²	119	130.4 Å²	130.4	83%	0.832	81%	0.808	S	S	*	*			trans	-143.7	126.6	149.4	62.9	0	0	0	0	110.1
50	T	27.8	Very low	25.3	Very low	140 Å²	140	133 Å²	133	86%	0.859	81%	0.807	S	S	*	*			trans	-81.8	144.6	-177	46.2	0	0	0	0	113.1
51	G	25.3	Very low	25.4	Very low	71 Å²	71	134.9 Å²	134.9	73%	0.732	80%	0.803	S	S	*	*			trans	167.7	133.8	160.8	0	0	0	0	0	113.2
52	P	29.9	Very low	25.5	Very low	137 Å²	137	137.9 Å²	137.9	89%	0.89	81%	0.81	S	S	*	*			trans	-96	149.3	-159.5	37.2	-32.8	0	0	0	113.4
53	S	26.7	Very low	25.5	Very low	116 Å²	116	139.8 Å²	139.8	81%	0.811	81%	0.809	S	S	*	*			trans	-139.9	105.8	160.3	62	0	0	0	0	110.5
54	S	25.3	Very low	25.8	Very low	115 Å²	115	147 Å²	147	80%	0.804	82%	0.82	S	S	*	*			trans	-62.7	128.8	163.1	53.4	0	0	0	0	110.6
55	S	25.6	Very low	25.8	Very low	96 Å²	96	142.9 Å²	142.9	67%	0.671	82%	0.815	S	S	*	*			trans	-144.8	94.6	155.5	61.6	0	0	0	0	109.3	F57	S55-F57 PolarHBondContact O-N 2.94Å
56	T	23.1	Very low	26	Very low	130 Å²	130	147.6 Å²	147.6	80%	0.798	82%	0.822	S	S	*	*			trans	-50.2	118.3	163.1	-39.8	0	0	0	0	109.2
57	F	24.3	Very low	26.3	Very low	195 Å²	195	147.5 Å²	147.5	86%	0.855	83%	0.825	S	S	*	*			trans	-92.1	107	166.4	-99.6	-85.6	0	0	0	108.2	S55	S55-F57 PolarHBondContact O-N 2.94Å
58	E	23.9	Very low	26.4	Very low	159 Å²	159	152.8 Å²	152.8	74%	0.743	83%	0.827	S	S	*	*			trans	-63.8	132.6	175	-76.2	-179.2	142.5	0	0	111.2	H60	E58-H60 PolarHBondContact O-N 2.93Å
59	M	23	Very low	26.8	Very low	167 Å²	167	152.8 Å²	152.8	82%	0.823	83%	0.827	S	S	*	*			trans	-83.3	101.8	177.6	-157	-177.8	169.8	0	0	108	H61	M59-H61 PolarHBondContact O-N 3.47Å
60	H	25.4	Very low	27.3	Very low	169 Å²	169	152.4 Å²	152.4	78%	0.782	82%	0.824	S	S	*	*			trans	-73.5	100.6	172.8	-86.9	-72.1	0	0	0	110.3	E58 L62	E58-H60 PolarHBondContact O-N 2.93Å; H60-L62 PolarHBondContact O-N 2.97Å
61	H	25.9	Very low	27.7	Very low	166 Å²	166	153.5 Å²	153.5	77%	0.769	82%	0.824	S	S	*	*			trans	-58.5	116.2	157.9	-86.8	-69.9	0	0	0	109.7	M59 Q63	M59-H61 PolarHBondContact O-N 3.47Å; H61-Q63 PolarHBondContact O-N 3.07Å
62	L	26.3	Very low	28.3	Very low	172 Å²	172	151.7 Å²	151.7	90%	0.901	81%	0.806	S	S	*	*			trans	-87.6	105.5	165.2	-89.2	162	0	0	0	109.4	H60	H60-L62 PolarHBondContact O-N 2.97Å
63	Q	26.8	Very low	29	Very low	175 Å²	175	149.2 Å²	149.2	82%	0.818	79%	0.792	S	S	*	*			trans	-58.6	144.2	165.9	-84.2	169.3	-39.8	0	0	111.6	H61 G65	H61-Q63 PolarHBondContact O-N 3.07Å; Q63-G65 PolarHBondContact O-N 3.38Å
64	R	32.6	Very low	29.8	Very low	258 Å²	258	149 Å²	149	97%	0.974	79%	0.788	S	S	*	*			trans	-50	112.9	161.4	-151.3	177.1	-149.3	-128.1	3.5	109
65	G	26.3	Very low	30.6	Very low	73 Å²	73	146.4 Å²	146.4	75%	0.753	77%	0.773	S	S	*	*			trans	-120.3	129.8	177.9	0	0	0	0	0	110.5	Q63	Q63-G65 PolarHBondContact O-N 3.38Å
66	E	26.7	Very low	31.3	Very low	188 Å²	188	149.6 Å²	149.6	88%	0.879	78%	0.775	S	S	*	*			trans	-57.1	150.7	-177.9	-62.3	167.1	142.3	0	0	113.6	K68	E66-K68 PolarHBondContact O-N 3.12Å; E66-K68 VanDerWaalsContact O-N 3.16Å
67	E	33.5	Very low	32	Very low	202 Å²	202	151.3 Å²	151.3	94%	0.944	77%	0.767	S	S	*	*			trans	-54.5	114.4	170.6	-72	177.4	150.3	0	0	110.7
68	K	27.5	Very low	32.5	Very low	186 Å²	186	144.7 Å²	144.7	81%	0.809	75%	0.745	S	S	*	*			trans	-120.7	116.7	161.6	-90.8	-174.4	176.4	175.7	0	109.4	E66 C70	E66-K68 PolarHBondContact O-N 3.12Å; E66-K68 VanDerWaalsContact O-N 3.16Å; K68-C70 PolarHBondContact O-N 3Å; K68-C70 VanDerWaalsContact O-N 3.09Å
69	D	33.1	Very low	33.1	Very low	174 Å²	174	146.4 Å²	146.4	93%	0.93	75%	0.745	S	S	*	*			trans	-47.5	109.9	171.5	-83.2	-44.6	0	0	0	111.8	N71	D69-N71 PolarHBondContact O-N 3.46Å
70	C	34.9	Very low	33.8	Very low	112 Å²	112	144.4 Å²	144.4	76%	0.757	74%	0.736	S	S	*	*			trans	-90.9	92.5	176.5	-76.1	0	0	0	0	110.8	K68 G72	K68-C70 PolarHBondContact O-N 3Å; K68-C70 VanDerWaalsContact O-N 3.09Å; C70-G72 PolarHBondContact O-N 2.85Å
71	N	36.1	Very low	34.2	Very low	162 Å²	162	144.7 Å²	144.7	87%	0.866	73%	0.731	S	S	*	*			trans	-74.2	75	161.5	-119.8	-3.2	0	0	0	109.8	D69	D69-N71 PolarHBondContact O-N 3.46Å
72	G	38.2	Very low	34.6	Very low	34 Å²	34	145.8 Å²	145.8	35%	0.351	73%	0.728	S	S	.	*			trans	-90.9	140.1	177.6	0	0	0	0	0	113.1	C70	C70-G72 PolarHBondContact O-N 2.85Å
73	S	43.3	Very low	35.2	Very low	84 Å²	84	146.6 Å²	146.6	59%	0.587	72%	0.719	S	S	*	*			trans	-53.8	151.3	-176.8	-42.8	0	0	0	0	114	A75 K76	S73-A75 PolarHBondContact O-N 2.89Å; S73-K76 PolarHBondContact O-N 3.38Å
74	P	44.9	Very low	35.7	Very low	112 Å²	112	142.1 Å²	142.1	73%	0.727	70%	0.704	S	S	*	*	H	α-helix	trans	-52.4	-31.1	-173.2	-26.8	33	0	0	0	115.2	R77 S78	P74-R77 PolarHBondContact O-N 3.5Å; P74-S78 WeakPolarHBondContact O-CB 3.39Å; P74-S78 PolarHBondContact O-N 3Å
75	A	41.3	Very low	35.8	Very low	61 Å²	61	134.5 Å²	134.5	50%	0.504	68%	0.679	S	S	.	*	H	α-helix	trans	-70.2	-27.2	178.9	0	0	0	0	0	114.5	S73 S78 R79	S73-A75 PolarHBondContact O-N 2.89Å; A75-S78 PolarHBondContact O-OG 2.99Å; A75-S78 VanDerWaalsContact O-OG 3.14Å; A75-R79 WeakPolarHBondContact O-CG 3.5Å; A75-R79 PolarHBondContact O-N 3.42Å
76	K	40.9	Very low	36.4	Very low	162 Å²	162	134.1 Å²	134.1	70%	0.704	67%	0.665	S	S	*	*	H	α-helix	trans	-78.5	-39	173.9	-79.1	-174.5	177.7	179.9	0	111.2	S73 R79 L80	S73-K76 PolarHBondContact O-N 3.38Å; K76-R79 PolarHBondContact O-N 3.35Å; K76-L80 PolarHBondContact O-N 2.72Å
77	R	36.3	Very low	37.3	Very low	166 Å²	166	128.5 Å²	128.5	63%	0.626	64%	0.644	S	S	*	*	H	α-helix	trans	-63.4	-38.8	171.5	-82.8	-177.5	176.5	173.4	1.1	112	P74 L80 R81	P74-R77 PolarHBondContact O-N 3.5Å; R77-L80 PolarHBondContact O-N 3.17Å; R77-R81 WeakPolarHBondContact O-CB 3.27Å; R77-R81 PolarHBondContact O-N 3.27Å
78	S	35	Very low	38.1	Very low	57 Å²	57	125.3 Å²	125.3	40%	0.399	63%	0.627	S	S	.	*	H	α-helix	trans	-70.3	-33.9	177.6	77.9	0	0	0	0	113.3	P74 A75 R82	P74-S78 WeakPolarHBondContact O-CB 3.39Å; P74-S78 PolarHBondContact O-N 3Å; A75-S78 PolarHBondContact O-OG 2.99Å; A75-S78 VanDerWaalsContact O-OG 3.14Å; S78-R82 VanDerWaalsContact O-CB 3.27Å; S78-R82 WeakPolarHBondContact O-CB 3.5Å; S78-R82 WeakPolarHBondContact O-CG 3.34Å; S78-R82 PolarHBondContact O-N 3.31Å
79	R	36.4	Very low	39.1	Very low	195 Å²	195	126.9 Å²	126.9	74%	0.736	63%	0.627	S	S	*	*	H	α-helix	trans	-70.7	-41.1	173	-76.3	-178.7	-173.3	-177.7	2.7	112.6	A75 K76 R83	A75-R79 WeakPolarHBondContact O-CG 3.5Å; A75-R79 PolarHBondContact O-N 3.42Å; K76-R79 PolarHBondContact O-N 3.35Å; R79-R83 WeakPolarHBondContact O-CB 3.39Å; R79-R83 PolarHBondContact O-N 3.46Å
80	L	38.2	Very low	40.4	Very low	124 Å²	124	121.6 Å²	121.6	65%	0.649	60%	0.599	S	S	*	*	H	α-helix	trans	-63.8	-47	174.5	-139.1	87.8	0	0	0	110.2	K76 R77 R83 T84	K76-L80 PolarHBondContact O-N 2.72Å; R77-L80 PolarHBondContact O-N 3.17Å; L80-R83 WeakPolarHBondContact O-CB 3.27Å; L80-R83 PolarHBondContact O-N 3.14Å; L80-R83 VanDerWaalsContact O-N 3.12Å; L80-T84 PolarHBondContact O-N 3.21Å; L80-T84 PolarHBondContact O-OG1 2.89Å
81	R	34.2	Very low	42.4	Very low	176 Å²	176	118.9 Å²	118.9	66%	0.664	57%	0.573	S	S	*	*	H	α-helix	trans	-64.6	-40.4	178.6	-166.3	174	171.7	172.1	2.6	112.7	R77 R83 T84 E85	R77-R81 WeakPolarHBondContact O-CB 3.27Å; R77-R81 PolarHBondContact O-N 3.27Å; R81-R83 VanDerWaalsContact C-N 3.32Å; R81-R83 PolarHBondContact O-N 3.24Å; R81-T84 PolarHBondContact O-N 2.85Å; R81-E85 IonicContact NE-OE1 3.9Å; R81-E85 PolarHBondContact NE-OE1 3.39Å; R81-E85 VanDerWaalsContact O-CB 3.26Å; R81-E85 WeakPolarHBondContact O-CB 3.13Å; R81-E85 WeakPolarHBondContact O-CG 3.38Å; R81-E85 PolarHBondContact O-N 2.87Å
82	R	34.3	Very low	44.7	Very low	188 Å²	188	112 Å²	112	71%	0.709	54%	0.537	S	S	*	.	H	α-helix	trans	-63.4	-35	170.8	-85.3	-175.2	-172.6	-179.6	2.7	112.8	S78 S86	S78-R82 VanDerWaalsContact O-CB 3.27Å; S78-R82 WeakPolarHBondContact O-CB 3.5Å; S78-R82 WeakPolarHBondContact O-CG 3.34Å; S78-R82 PolarHBondContact O-N 3.31Å; R82-S86 VanDerWaalsContact O-CB 3.27Å; R82-S86 WeakPolarHBondContact O-CB 3.18Å; R82-S86 PolarHBondContact O-N 2.83Å; R82-S86 PolarHBondContact O-OG 3.5Å
83	R	37.8	Very low	46.9	Very low	190 Å²	190	114.4 Å²	114.4	72%	0.717	55%	0.547	S	S	*	.	H	α-helix	trans	-73.6	-37.3	177.3	-160.9	177.1	-175.1	-175.9	0.9	111.5	R79 L80 R81 S86 V87	R79-R83 WeakPolarHBondContact O-CB 3.39Å; R79-R83 PolarHBondContact O-N 3.46Å; L80-R83 WeakPolarHBondContact O-CB 3.27Å; L80-R83 PolarHBondContact O-N 3.14Å; L80-R83 VanDerWaalsContact O-N 3.12Å; R81-R83 VanDerWaalsContact C-N 3.32Å; R81-R83 PolarHBondContact O-N 3.24Å; R83-S86 PolarHBondContact O-OG 3.39Å; R83-S86 VanDerWaalsContact O-OG 3.07Å; R83-V87 WeakPolarHBondContact O-CG2 3.17Å; R83-V87 PolarHBondContact O-N 3.07Å
84	T	38.1	Very low	49	Very low	81 Å²	81	112.1 Å²	112.1	50%	0.497	53%	0.526	S	S	.	.	H	α-helix	trans	-71.4	-37.1	173.7	-40.6	0	0	0	0	111.8	L80 R81 K88	L80-T84 PolarHBondContact O-N 3.21Å; L80-T84 PolarHBondContact O-OG1 2.89Å; R81-T84 PolarHBondContact O-N 2.85Å; T84-K88 PolarHBondContact O-N 3.09Å; T84-K88 VanDerWaalsContact O-N 3.14Å
85	E	35.1	Very low	51.2	Low	98 Å²	98	107.1 Å²	107.1	46%	0.458	49%	0.494	S	S	.	.	H	α-helix	trans	-71.8	-34.5	174.5	-77.8	175.8	-171.5	0	0	112.8	R81 K88 R89	R81-E85 IonicContact NE-OE1 3.9Å; R81-E85 PolarHBondContact NE-OE1 3.39Å; R81-E85 VanDerWaalsContact O-CB 3.26Å; R81-E85 WeakPolarHBondContact O-CB 3.13Å; R81-E85 WeakPolarHBondContact O-CG 3.38Å; R81-E85 PolarHBondContact O-N 2.87Å; E85-K88 PolarHBondContact O-N 3.23Å; E85-R89 PolarHBondContact O-N 3.16Å
86	S	39.1	Very low	53.6	Low	65 Å²	65	104.4 Å²	104.4	46%	0.455	47%	0.471	S	S	.	.	H	α-helix	trans	-67.9	-37.9	174.7	74.3	0	0	0	0	111.6	R82 R83 K88 R89	R82-S86 VanDerWaalsContact O-CB 3.27Å; R82-S86 WeakPolarHBondContact O-CB 3.18Å; R82-S86 PolarHBondContact O-N 2.83Å; R82-S86 PolarHBondContact O-OG 3.5Å; R83-S86 PolarHBondContact O-OG 3.39Å; R83-S86 VanDerWaalsContact O-OG 3.07Å; S86-K88 VanDerWaalsContact C-N 3.29Å; S86-K88 PolarHBondContact O-N 3.12Å; S86-R89 PolarHBondContact O-N 2.88Å
87	V	45.5	Very low	56.2	Low	70 Å²	70	97.5 Å²	97.5	42%	0.424	44%	0.441	S	S	.	.	H	α-helix	trans	-70.7	-25.6	174.3	-175.6	0	0	0	0	111	R83 R91	R83-V87 WeakPolarHBondContact O-CG2 3.17Å; R83-V87 PolarHBondContact O-N 3.07Å; V87-R91 PolarHBondContact O-NE 2.91Å; V87-R91 PolarHBondContact O-NH2 3.14Å
88	K	49.2	Very low	59.1	Low	135 Å²	135	89.6 Å²	89.6	59%	0.587	41%	0.411	S	S	*	.	H	α-helix	trans	-71.1	-23.7	172.1	-81.9	-169.4	175.4	-161.9	0	113.8	T84 E85 S86	T84-K88 PolarHBondContact O-N 3.09Å; T84-K88 VanDerWaalsContact O-N 3.14Å; E85-K88 PolarHBondContact O-N 3.23Å; S86-K88 VanDerWaalsContact C-N 3.29Å; S86-K88 PolarHBondContact O-N 3.12Å
89	R	49.9	Very low	62.1	Low	218 Å²	218	87 Å²	87	82%	0.823	39%	0.392	S	S	*	.	H	α-helix	trans	-83.1	-19.7	-176.8	-81.6	-175.8	171.5	179.3	-3.1	115	E85 S86	E85-R89 PolarHBondContact O-N 3.16Å; S86-R89 PolarHBondContact O-N 2.88Å
90	N	60.1	Low	65.1	Low	63 Å²	63	78.1 Å²	78.1	34%	0.337	36%	0.36	S	S	.	.	S	Bend	trans	-113.5	54	-173.1	-81	42	0	0	0	110.7	S453 L456	N90-S453 VanDerWaalsContact C-CB 3.41Å; N90-S453 WeakPolarHBondContact CB-O 3.42Å; N90-S453 PolarHBondContact ND2-O 3.4Å; N90-S453 WeakPolarHBondContact O-CB 3.42Å; N90-L456 PolarHBondContact ND2-OXT 3.34Å
91	R	76.4	Confident	67.9	Low	55 Å²	55	72.2 Å²	72.2	21%	0.208	33%	0.329	C	S	.	.	S	Bend	trans	-141.2	144	174.3	-68.1	-176.9	-118.2	-178.3	11.3	110.6	V87 W96 C159 G160 S453	V87-R91 PolarHBondContact O-NE 2.91Å; V87-R91 PolarHBondContact O-NH2 3.14Å; R91-W96 HydrophobicContact CB-CZ2 4.47Å; R91-C159 WeakPolarHBondContact CD-O 3.26Å; R91-C159 VanDerWaalsContact CZ-O 3.28Å; R91-C159 PolarHBondContact NE-O 2.81Å; R91-C159 PolarHBondContact NH1-O 3.29Å; R91-G160 VanDerWaalsContact NH1-C 3.28Å; R91-G160 PolarHBondContact NH1-O 3.42Å; R91-S453 VanDerWaalsContact CA-OG 3.27Å; R91-S453 WeakPolarHBondContact CA-OG 3.48Å
92	P	83.9	Confident	70.8	Confident	17 Å²	17	64.4 Å²	64.4	11%	0.11	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-69.2	144.9	173.5	24.3	-19.7	0	0	0	108.8	W96 L449 L450 S453	P92-W96 PolarHBondContact O-NE1 3.18Å; P92-L449 HydrophobicContact CB-CD1 4.27Å; P92-L449 HydrophobicContact CB-CG 4.43Å; P92-L449 HydrophobicContact CG-CD1 4.32Å; P92-L449 HydrophobicContact CG-CG 3.99Å; P92-L450 HydrophobicContact CG-CD2 4.05Å; P92-S453 WeakPolarHBondContact CD-OG 3.44Å
93	P	84.8	Confident	73.6	Confident	86 Å²	86	58.7 Å²	58.7	56%	0.558	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-61.8	160.4	173.9	26.7	-33.8	0	0	0	110.8	W96 H191	P93-W96 VanDerWaalsContact O-CD1 3.32Å; P93-W96 PolarHBondContact O-NE1 3.17Å; P93-H191 PolarHBondContact O-NE2 3.47Å
94	F	87.6	Confident	76.1	Confident	35 Å²	35	52.3 Å²	52.3	15%	0.154	28%	0.284	C	S	.	.	S	Bend	trans	-70.5	152.5	169.9	-72	-56.7	0	0	0	110.7	W96 F111 P113 L128 R161	F94-W96 HydrophobicContact CD1-CB 4.46Å; F94-W96 AromaticContact CD1-CD1 3.8Å; F94-W96 AromaticContact CD1-CD2 3.87Å; F94-W96 HydrophobicContact CD1-CD2 3.87Å; F94-W96 AromaticContact CD1-CE2 3.9Å; F94-W96 AromaticContact CD1-CG 3.81Å; F94-W96 HydrophobicContact CD1-CG 3.81Å; F94-W96 AromaticContact CD1-NE1 3.82Å; F94-W96 AromaticContact CE1-CD2 3.53Å; F94-W96 HydrophobicContact CE1-CD2 3.53Å; F94-W96 AromaticContact CE1-CE2 3.61Å; F94-W96 AromaticContact CE1-CE3 3.8Å; F94-W96 HydrophobicContact CE1-CE3 3.8Å; F94-W96 AromaticContact CE1-CG 3.96Å; F94-W96 HydrophobicContact CE1-CG 3.96Å; F94-W96 HydrophobicContact CE1-CH2 4.22Å; F94-W96 AromaticContact CE1-CZ2 3.98Å; F94-W96 HydrophobicContact CE1-CZ2 3.98Å; F94-W96 HydrophobicContact CE1-CZ3 4.14Å; F94-W96 HydrophobicContact CZ-CH2 4.42Å; F94-W96 HydrophobicContact CZ-CZ2 4.31Å; F94-F111 AromaticContact CE1-CD1 3.88Å; F94-F111 HydrophobicContact CE1-CD1 3.88Å; F94-F111 HydrophobicContact CE1-CE1 4.1Å; F94-F111 HydrophobicContact CZ-CE1 4.29Å; F94-P113 HydrophobicContact CD1-CG 4.22Å; F94-P113 HydrophobicContact CD2-CG 3.97Å; F94-P113 HydrophobicContact CE1-CB 4.16Å; F94-P113 HydrophobicContact CE1-CG 3.91Å; F94-P113 HydrophobicContact CE2-CB 3.77Å; F94-P113 HydrophobicContact CE2-CG 3.62Å; F94-P113 HydrophobicContact CG-CG 4.26Å; F94-P113 HydrophobicContact CZ-CB 3.52Å; F94-P113 HydrophobicContact CZ-CG 3.6Å; F94-L128 HydrophobicContact CB-CD2 3.84Å; F94-R161 HydrophobicContact CZ-CG 4.08Å
95	P	90	Very high	78.8	Confident	8 Å²	8	50 Å²	50	5%	0.052	27%	0.269	C	S	.	.	P	Polyproline II helix	cis	-87.8	153.7	7.5	34.1	-32.4	0	0	0	113.3	F97 Y110 L128 L190 H191	P95-F97 HydrophobicContact CB-CD2 4.07Å; P95-F97 HydrophobicContact CB-CE2 3.5Å; P95-F97 HydrophobicContact CB-CZ 3.97Å; P95-F97 HydrophobicContact CG-CD2 3.94Å; P95-F97 HydrophobicContact CG-CE2 3.38Å; P95-F97 HydrophobicContact CG-CZ 4.25Å; P95-Y110 HydrophobicContact CB-CE2 4.3Å; P95-L128 HydrophobicContact CB-CD1 3.81Å; P95-L128 VanDerWaalsContact CD-CD1 3.48Å; P95-L128 HydrophobicContact CG-CD1 3.87Å; P95-L190 HydrophobicContact CG-CB 4.48Å; P95-L190 HydrophobicContact CG-CD1 4.47Å; P95-H191 PolarHBondContact O-CD2 3.34Å
96	W	93.4	Very high	81.8	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.015	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	114.4	178.2	-68.9	-5.9	0	0	0	111.1	R91 P92 P93 F94 F111 C159 R161 L446 L449 L450	R91-W96 HydrophobicContact CB-CZ2 4.47Å; P92-W96 PolarHBondContact O-NE1 3.18Å; P93-W96 VanDerWaalsContact O-CD1 3.32Å; P93-W96 PolarHBondContact O-NE1 3.17Å; F94-W96 HydrophobicContact CD1-CB 4.46Å; F94-W96 AromaticContact CD1-CD1 3.8Å; F94-W96 AromaticContact CD1-CD2 3.87Å; F94-W96 HydrophobicContact CD1-CD2 3.87Å; F94-W96 AromaticContact CD1-CE2 3.9Å; F94-W96 AromaticContact CD1-CG 3.81Å; F94-W96 HydrophobicContact CD1-CG 3.81Å; F94-W96 AromaticContact CD1-NE1 3.82Å; F94-W96 AromaticContact CE1-CD2 3.53Å; F94-W96 HydrophobicContact CE1-CD2 3.53Å; F94-W96 AromaticContact CE1-CE2 3.61Å; F94-W96 AromaticContact CE1-CE3 3.8Å; F94-W96 HydrophobicContact CE1-CE3 3.8Å; F94-W96 AromaticContact CE1-CG 3.96Å; F94-W96 HydrophobicContact CE1-CG 3.96Å; F94-W96 HydrophobicContact CE1-CH2 4.22Å; F94-W96 AromaticContact CE1-CZ2 3.98Å; F94-W96 HydrophobicContact CE1-CZ2 3.98Å; F94-W96 HydrophobicContact CE1-CZ3 4.14Å; F94-W96 HydrophobicContact CZ-CH2 4.42Å; F94-W96 HydrophobicContact CZ-CZ2 4.31Å; W96-F111 HydrophobicContact CB-CB 4.13Å; W96-F111 HydrophobicContact CD2-CD1 4.38Å; W96-F111 HydrophobicContact CE3-CB 4.27Å; W96-F111 AromaticContact CE3-CD1 3.5Å; W96-F111 HydrophobicContact CE3-CD1 3.5Å; W96-F111 AromaticContact CE3-CE1 3.97Å; W96-F111 HydrophobicContact CE3-CE1 3.97Å; W96-F111 AromaticContact CE3-CG 3.97Å; W96-F111 HydrophobicContact CE3-CG 3.97Å; W96-F111 AromaticContact CZ3-CD1 3.93Å; W96-F111 HydrophobicContact CZ3-CD1 3.93Å; W96-F111 AromaticContact CZ3-CE1 3.88Å; W96-F111 HydrophobicContact CZ3-CE1 3.88Å; W96-F111 HydrophobicContact CZ3-CZ 4.48Å; W96-F111 PolarHBondContact O-N 2.71Å; W96-F111 VanDerWaalsContact O-N 3.12Å; W96-C159 HydrophobicContact CH2-CB 4.01Å; W96-C159 HydrophobicContact CZ3-CB 4.43Å; W96-R161 HydrophobicContact CH2-CB 4.29Å; W96-R161 HydrophobicContact CH2-CG 3.78Å; W96-R161 HydrophobicContact CZ3-CB 4.37Å; W96-R161 HydrophobicContact CZ3-CG 4.33Å; W96-L446 HydrophobicContact CB-CD1 3.88Å; W96-L449 HydrophobicContact CB-CD2 4.43Å; W96-L450 HydrophobicContact CD2-CD2 3.73Å; W96-L450 HydrophobicContact CE3-CD1 4.47Å; W96-L450 HydrophobicContact CE3-CD2 3.76Å; W96-L450 HydrophobicContact CG-CD2 4.33Å; W96-L450 HydrophobicContact CH2-CD2 4.11Å; W96-L450 HydrophobicContact CZ2-CD2 4.07Å; W96-L450 HydrophobicContact CZ3-CD2 3.96Å
97	F	94.7	Very high	84.6	Confident	17 Å²	17	43.2 Å²	43.2	8%	0.075	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.3	-179.6	-66	-66.1	0	0	0	111.9	P95 L108 V109 Y110 I131 L135 L194	P95-F97 HydrophobicContact CB-CD2 4.07Å; P95-F97 HydrophobicContact CB-CE2 3.5Å; P95-F97 HydrophobicContact CB-CZ 3.97Å; P95-F97 HydrophobicContact CG-CD2 3.94Å; P95-F97 HydrophobicContact CG-CE2 3.38Å; P95-F97 HydrophobicContact CG-CZ 4.25Å; F97-L108 HydrophobicContact CB-CD1 4.05Å; F97-L108 HydrophobicContact CD1-CD1 3.76Å; F97-L108 HydrophobicContact CD1-CD2 4.33Å; F97-L108 HydrophobicContact CD1-CG 4.19Å; F97-L108 HydrophobicContact CE1-CD2 4.37Å; F97-L108 HydrophobicContact CG-CD1 4.17Å; F97-V109 WeakPolarHBondContact CA-O 3.34Å; F97-Y110 AromaticContact CD1-CD2 3.8Å; F97-Y110 HydrophobicContact CD1-CD2 3.8Å; F97-Y110 HydrophobicContact CD1-CG 4.21Å; F97-Y110 AromaticContact CE1-CD2 3.25Å; F97-Y110 HydrophobicContact CE1-CD2 3.25Å; F97-Y110 HydrophobicContact CE1-CE2 4.14Å; F97-Y110 AromaticContact CE1-CG 3.66Å; F97-Y110 HydrophobicContact CE1-CG 3.66Å; F97-Y110 AromaticContact CZ-CD2 3.79Å; F97-Y110 HydrophobicContact CZ-CD2 3.79Å; F97-Y110 HydrophobicContact CZ-CE2 4.25Å; F97-Y110 HydrophobicContact CZ-CG 4.49Å; F97-I131 HydrophobicContact CZ-CG2 4.3Å; F97-L135 HydrophobicContact CE1-CD1 3.71Å; F97-L135 HydrophobicContact CZ-CD1 3.73Å; F97-L194 HydrophobicContact CB-CD1 3.69Å
98	G	97.3	Very high	87.1	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.9	160.5	0	0	0	0	0	109.6	L108 V109 A442	G98-L108 WeakPolarHBondContact O-CA 3.22Å; G98-V109 PolarHBondContact N-O 3.03Å; G98-V109 VanDerWaalsContact N-O 3.09Å; G98-V109 PolarHBondContact O-N 2.86Å; G98-A442 CarbonylContact C-O 3.58Å; G98-A442 WeakPolarHBondContact CA-O 3.33Å
99	M	98	Very high	89.4	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.4	-175.8	-164.7	176.1	-71.1	0	0	111.4	I101 V106 K107 L108 F178 L194 C195 A196 T197 F208	M99-I101 HydrophobicContact CG-CD1 4.46Å; M99-I101 HydrophobicContact CG-CG1 3.82Å; M99-I101 HydrophobicContact SD-CD1 3.91Å; M99-I101 HydrophobicContact SD-CG1 3.78Å; M99-V106 HydrophobicContact CG-CG1 3.84Å; M99-V106 HydrophobicContact SD-CG1 4.04Å; M99-K107 CarbonylContact C-O 3.6Å; M99-K107 WeakPolarHBondContact CA-O 3.15Å; M99-L108 HydrophobicContact CB-CD1 4.38Å; M99-L108 HydrophobicContact CE-CD1 3.8Å; M99-F178 HydrophobicContact CE-CD1 4.45Å; M99-F178 HydrophobicContact CE-CE1 3.42Å; M99-F178 VanDerWaalsContact CE-CE1 3.42Å; M99-F178 HydrophobicContact CE-CE2 4.35Å; M99-F178 HydrophobicContact CE-CZ 3.36Å; M99-F178 HydrophobicContact SD-CE1 4.33Å; M99-L194 HydrophobicContact CE-CD2 3.63Å; M99-L194 HydrophobicContact SD-CD2 4.11Å; M99-C195 PolarHBondContact N-O 3.43Å; M99-A196 HydrophobicContact CB-CB 4.42Å; M99-A196 CarbonylContact O-C 3.5Å; M99-A196 VanDerWaalsContact O-CA 3.28Å; M99-A196 WeakPolarHBondContact O-CA 3.41Å; M99-T197 PolarHBondContact O-N 3.04Å; M99-F208 HydrophobicContact SD-CZ 4.18Å
100	D	98.6	Very high	91.7	Very high	10 Å²	10	23.9 Å²	23.9	5%	0.053	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	109.4	170	172.3	-12.9	0	0	0	108.6	G102 V106 K107 T197 A442	D100-G102 PolarHBondContact O-N 3.33Å; D100-V106 CarbonylContact O-C 3.6Å; D100-V106 WeakPolarHBondContact O-CA 3.22Å; D100-K107 HydrophobicContact CB-CB 4.45Å; D100-K107 VanDerWaalsContact CG-CE 3.47Å; D100-K107 PolarHBondContact N-O 2.72Å; D100-K107 PolarHBondContact O-N 2.75Å; D100-K107 IonicContact OD1-NZ 2.85Å; D100-K107 PolarHBondContact OD1-NZ 3.38Å; D100-K107 WeakPolarHBondContact OD2-CE 3.27Å; D100-K107 IonicContact OD2-NZ 2.78Å; D100-K107 PolarHBondContact OD2-NZ 3.02Å; D100-T197 HydrophobicContact CB-CG2 3.61Å; D100-A442 HydrophobicContact CB-CB 4Å
101	I	98.1	Very high	93.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	86.6	-176.3	-48	170.2	0	0	0	108.5	M99 V106 T172 M175 A196 T197 G200 F204 F208 L216	M99-I101 HydrophobicContact CG-CD1 4.46Å; M99-I101 HydrophobicContact CG-CG1 3.82Å; M99-I101 HydrophobicContact SD-CD1 3.91Å; M99-I101 HydrophobicContact SD-CG1 3.78Å; I101-V106 HydrophobicContact CG1-CG1 4.28Å; I101-V106 HydrophobicContact CG2-CG2 4.13Å; I101-T172 HydrophobicContact CG2-CG2 4.26Å; I101-M175 HydrophobicContact CB-CE 4.22Å; I101-M175 HydrophobicContact CD1-CE 3.83Å; I101-M175 HydrophobicContact CG1-CE 3.82Å; I101-M175 HydrophobicContact CG2-CE 3.35Å; I101-A196 HydrophobicContact CD1-CB 4.37Å; I101-T197 PolarHBondContact N-O 3.49Å; I101-G200 VanDerWaalsContact O-CA 3.31Å; I101-G200 WeakPolarHBondContact O-CA 3.34Å; I101-G200 PolarHBondContact O-N 3.38Å; I101-F204 HydrophobicContact CG2-CD2 3.88Å; I101-F204 HydrophobicContact CG2-CE2 4.05Å; I101-F208 HydrophobicContact CD1-CE2 4.12Å; I101-L216 HydrophobicContact CD1-CD1 4.47Å
102	G	95.6	Very high	94.4	Very high	12 Å²	12	19.8 Å²	19.8	12%	0.124	13%	0.127	C	C	.	.			trans	-77.2	175.3	177.3	0	0	0	0	0	113.1	D100 T104 L105 T172	D100-G102 PolarHBondContact O-N 3.33Å; G102-T104 PolarHBondContact O-N 3.45Å; G102-L105 WeakPolarHBondContact CA-O 3.12Å; G102-L105 PolarHBondContact N-O 3.16Å; G102-T172 WeakPolarHBondContact O-CG2 3.45Å; G102-T172 PolarHBondContact O-OG1 3.23Å
103	G	92.1	Very high	94.9	Very high	67 Å²	67	19.3 Å²	19.3	69%	0.691	12%	0.124	S	C	*	.	S	Bend	trans	-63.7	-36.8	178	0	0	0	0	0	113.9
104	T	91.1	Very high	95.3	Very high	57 Å²	57	18.5 Å²	18.5	35%	0.35	12%	0.118	S	C	.	.	S	Bend	trans	-110.5	-37.7	-176.8	-52.2	0	0	0	0	113.2	G102 P171 T172 S275 L302	G102-T104 PolarHBondContact O-N 3.45Å; T104-P171 WeakPolarHBondContact O-CA 3.03Å; T104-T172 PolarHBondContact O-N 3.49Å; T104-T172 PolarHBondContact O-OG1 2.83Å; T104-S275 PolarHBondContact N-OG 3.04Å; T104-S275 PolarHBondContact OG1-OG 3.42Å; T104-L302 HydrophobicContact CG2-CD2 4.31Å
105	L	94.3	Very high	95.6	Very high	33 Å²	33	19.5 Å²	19.5	17%	0.173	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139.5	-176.8	-71.2	170.4	0	0	0	110.8	G102 K107 T172 N405 R408	G102-L105 WeakPolarHBondContact CA-O 3.12Å; G102-L105 PolarHBondContact N-O 3.16Å; L105-K107 HydrophobicContact CB-CD 4.18Å; L105-T172 VanDerWaalsContact C-OG1 3.23Å; L105-T172 WeakPolarHBondContact CA-OG1 3.28Å; L105-T172 PolarHBondContact N-OG1 2.88Å; L105-T172 VanDerWaalsContact N-OG1 3.14Å; L105-N405 HydrophobicContact CD1-CB 3.78Å; L105-R408 VanDerWaalsContact CD1-NH1 3.34Å
106	V	97.8	Very high	95.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	137.3	162.1	-169.9	0	0	0	0	108.1	M99 D100 I101 R169 F170 T172 M175	M99-V106 HydrophobicContact CG-CG1 3.84Å; M99-V106 HydrophobicContact SD-CG1 4.04Å; D100-V106 CarbonylContact O-C 3.6Å; D100-V106 WeakPolarHBondContact O-CA 3.22Å; I101-V106 HydrophobicContact CG1-CG1 4.28Å; I101-V106 HydrophobicContact CG2-CG2 4.13Å; V106-R169 VanDerWaalsContact O-CA 3.23Å; V106-R169 WeakPolarHBondContact O-CA 3.45Å; V106-R169 WeakPolarHBondContact O-CB 3.23Å; V106-F170 HydrophobicContact CB-CD1 4.09Å; V106-F170 HydrophobicContact CB-CD2 4.03Å; V106-F170 HydrophobicContact CB-CE1 3.74Å; V106-F170 HydrophobicContact CB-CE2 3.68Å; V106-F170 HydrophobicContact CB-CG 4.23Å; V106-F170 HydrophobicContact CB-CZ 3.53Å; V106-F170 HydrophobicContact CG1-CD1 4.44Å; V106-F170 HydrophobicContact CG1-CE1 3.67Å; V106-F170 HydrophobicContact CG1-CE2 4.13Å; V106-F170 HydrophobicContact CG1-CZ 3.49Å; V106-F170 VanDerWaalsContact CG1-CZ 3.49Å; V106-F170 HydrophobicContact CG2-CD2 3.92Å; V106-F170 HydrophobicContact CG2-CE1 4.4Å; V106-F170 HydrophobicContact CG2-CE2 3.42Å; V106-F170 VanDerWaalsContact CG2-CE2 3.42Å; V106-F170 HydrophobicContact CG2-CZ 3.71Å; V106-F170 PolarHBondContact N-O 3.37Å; V106-F170 PolarHBondContact O-N 2.97Å; V106-F170 VanDerWaalsContact O-N 3.1Å; V106-T172 HydrophobicContact CG2-CG2 4.46Å; V106-M175 HydrophobicContact CB-CE 4.42Å; V106-M175 HydrophobicContact CG1-CE 4.08Å; V106-M175 HydrophobicContact CG2-CE 3.47Å; V106-M175 VanDerWaalsContact CG2-CE 3.47Å
107	K	98.5	Very high	95.3	Very high	20 Å²	20	23.9 Å²	23.9	9%	0.087	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.8	173.5	-61.2	89.3	66.4	-161.9	0	107.8	M99 D100 L105 I168 G438 Y439 A442	M99-K107 CarbonylContact C-O 3.6Å; M99-K107 WeakPolarHBondContact CA-O 3.15Å; D100-K107 HydrophobicContact CB-CB 4.45Å; D100-K107 VanDerWaalsContact CG-CE 3.47Å; D100-K107 PolarHBondContact N-O 2.72Å; D100-K107 PolarHBondContact O-N 2.75Å; D100-K107 IonicContact OD1-NZ 2.85Å; D100-K107 PolarHBondContact OD1-NZ 3.38Å; D100-K107 WeakPolarHBondContact OD2-CE 3.27Å; D100-K107 IonicContact OD2-NZ 2.78Å; D100-K107 PolarHBondContact OD2-NZ 3.02Å; L105-K107 HydrophobicContact CB-CD 4.18Å; K107-I168 CarbonylContact C-O 3.57Å; K107-I168 WeakPolarHBondContact CA-O 3.36Å; K107-G438 VanDerWaalsContact CE-O 3.22Å; K107-G438 WeakPolarHBondContact CE-O 3.47Å; K107-G438 WeakPolarHBondContact CG-O 3.31Å; K107-Y439 HydrophobicContact CB-CD1 3.81Å; K107-Y439 HydrophobicContact CB-CE1 3.94Å; K107-Y439 HydrophobicContact CG-CD1 4.13Å; K107-Y439 HydrophobicContact CG-CE1 4.07Å; K107-A442 HydrophobicContact CB-CB 4.16Å
108	L	97.9	Very high	95	Very high	9 Å²	9	26.7 Å²	26.7	5%	0.047	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.7	-179.7	177.6	65.7	0	0	0	107.4	F97 G98 M99 I168 F178	F97-L108 HydrophobicContact CB-CD1 4.05Å; F97-L108 HydrophobicContact CD1-CD1 3.76Å; F97-L108 HydrophobicContact CD1-CD2 4.33Å; F97-L108 HydrophobicContact CD1-CG 4.19Å; F97-L108 HydrophobicContact CE1-CD2 4.37Å; F97-L108 HydrophobicContact CG-CD1 4.17Å; G98-L108 WeakPolarHBondContact O-CA 3.22Å; M99-L108 HydrophobicContact CB-CD1 4.38Å; M99-L108 HydrophobicContact CE-CD1 3.8Å; L108-I168 HydrophobicContact CB-CB 4.21Å; L108-I168 PolarHBondContact N-O 3.37Å; L108-I168 PolarHBondContact O-N 2.88Å; L108-F178 HydrophobicContact CD2-CE2 4.41Å
109	V	98.3	Very high	94.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.4	171	174.1	0	0	0	0	108.1	F97 G98 L165 H166 F167 Y439 A442 V443 L446	F97-V109 WeakPolarHBondContact CA-O 3.34Å; G98-V109 PolarHBondContact N-O 3.03Å; G98-V109 VanDerWaalsContact N-O 3.09Å; G98-V109 PolarHBondContact O-N 2.86Å; V109-L165 HydrophobicContact CG1-CD1 3.4Å; V109-L165 HydrophobicContact CG1-CD2 3.91Å; V109-L165 HydrophobicContact CG1-CG 3.53Å; V109-H166 WeakPolarHBondContact CA-O 3.14Å; V109-F167 HydrophobicContact CG2-CD1 3.77Å; V109-F167 HydrophobicContact CG2-CE1 3.98Å; V109-Y439 HydrophobicContact CG2-CD1 4.37Å; V109-A442 HydrophobicContact CB-CB 4.29Å; V109-A442 HydrophobicContact CG2-CB 3.65Å; V109-V443 HydrophobicContact CG1-CG2 4.41Å; V109-V443 HydrophobicContact CG2-CG2 3.84Å; V109-L446 HydrophobicContact CG1-CD2 3.87Å
110	Y	96.8	Very high	93.8	Very high	7 Å²	7	35.2 Å²	35.2	3%	0.027	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.6	-178.3	168.1	-121.6	0	0	0	110	P95 F97 E112 L135 T136 H166	P95-Y110 HydrophobicContact CB-CE2 4.3Å; F97-Y110 AromaticContact CD1-CD2 3.8Å; F97-Y110 HydrophobicContact CD1-CD2 3.8Å; F97-Y110 HydrophobicContact CD1-CG 4.21Å; F97-Y110 AromaticContact CE1-CD2 3.25Å; F97-Y110 HydrophobicContact CE1-CD2 3.25Å; F97-Y110 HydrophobicContact CE1-CE2 4.14Å; F97-Y110 AromaticContact CE1-CG 3.66Å; F97-Y110 HydrophobicContact CE1-CG 3.66Å; F97-Y110 AromaticContact CZ-CD2 3.79Å; F97-Y110 HydrophobicContact CZ-CD2 3.79Å; F97-Y110 HydrophobicContact CZ-CE2 4.25Å; F97-Y110 HydrophobicContact CZ-CG 4.49Å; Y110-E112 HydrophobicContact CD1-CB 4.42Å; Y110-E112 HydrophobicContact CE1-CB 3.72Å; Y110-E112 HydrophobicContact CE1-CG 4.38Å; Y110-L135 HydrophobicContact CD1-CB 4.18Å; Y110-L135 HydrophobicContact CD1-CD1 3.8Å; Y110-L135 HydrophobicContact CD2-CD1 4.07Å; Y110-L135 HydrophobicContact CE1-CB 4.13Å; Y110-L135 HydrophobicContact CE1-CD1 3.98Å; Y110-L135 HydrophobicContact CE2-CD1 4.23Å; Y110-L135 HydrophobicContact CG-CD1 3.85Å; Y110-T136 HydrophobicContact CE1-CG2 4.17Å; Y110-H166 HydrophobicContact CD1-CB 4.27Å; Y110-H166 AromaticContact CD1-CD2 3.78Å; Y110-H166 PolarHBondContact N-O 2.82Å; Y110-H166 PolarHBondContact O-N 2.74Å
111	F	96.9	Very high	93.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	115	171.2	179.6	-91.2	0	0	0	109.9	F94 W96 P113 M158 R161 G163 L165	F94-F111 AromaticContact CE1-CD1 3.88Å; F94-F111 HydrophobicContact CE1-CD1 3.88Å; F94-F111 HydrophobicContact CE1-CE1 4.1Å; F94-F111 HydrophobicContact CZ-CE1 4.29Å; W96-F111 HydrophobicContact CB-CB 4.13Å; W96-F111 HydrophobicContact CD2-CD1 4.38Å; W96-F111 HydrophobicContact CE3-CB 4.27Å; W96-F111 AromaticContact CE3-CD1 3.5Å; W96-F111 HydrophobicContact CE3-CD1 3.5Å; W96-F111 AromaticContact CE3-CE1 3.97Å; W96-F111 HydrophobicContact CE3-CE1 3.97Å; W96-F111 AromaticContact CE3-CG 3.97Å; W96-F111 HydrophobicContact CE3-CG 3.97Å; W96-F111 AromaticContact CZ3-CD1 3.93Å; W96-F111 HydrophobicContact CZ3-CD1 3.93Å; W96-F111 AromaticContact CZ3-CE1 3.88Å; W96-F111 HydrophobicContact CZ3-CE1 3.88Å; W96-F111 HydrophobicContact CZ3-CZ 4.48Å; W96-F111 PolarHBondContact O-N 2.71Å; W96-F111 VanDerWaalsContact O-N 3.12Å; F111-P113 HydrophobicContact CE1-CB 4.34Å; F111-P113 WeakPolarHBondContact O-CD 3.19Å; F111-M158 HydrophobicContact CD2-SD 3.71Å; F111-M158 HydrophobicContact CE2-CB 4.18Å; F111-M158 HydrophobicContact CE2-CG 4.21Å; F111-M158 HydrophobicContact CE2-SD 3.92Å; F111-R161 HydrophobicContact CE1-CB 3.97Å; F111-R161 HydrophobicContact CZ-CB 4.03Å; F111-G163 VanDerWaalsContact CZ-CA 3.48Å; F111-L165 HydrophobicContact CB-CD1 3.96Å; F111-L165 HydrophobicContact CD2-CD1 4.26Å
112	E	95.9	Very high	92.4	Very high	33 Å²	33	47.1 Å²	47.1	15%	0.154	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	111.5	173.7	179.3	-169.5	-159.9	0	0	109.8	Y110 V114 T136 G163 N164 H166	Y110-E112 HydrophobicContact CD1-CB 4.42Å; Y110-E112 HydrophobicContact CE1-CB 3.72Å; Y110-E112 HydrophobicContact CE1-CG 4.38Å; E112-V114 PolarHBondContact O-N 2.97Å; E112-T136 HydrophobicContact CG-CG2 3.96Å; E112-T136 WeakPolarHBondContact OE1-CG2 3.3Å; E112-G163 CarbonylContact O-C 3.51Å; E112-G163 WeakPolarHBondContact O-CA 3.34Å; E112-N164 HydrophobicContact CB-CB 4.47Å; E112-N164 PolarHBondContact N-O 3.02Å; E112-N164 PolarHBondContact O-N 2.98Å; E112-N164 PolarHBondContact OE2-ND2 2.79Å; E112-H166 IonicContact OE2-CD2 3.72Å; E112-H166 IonicContact OE2-CE1 2.79Å; E112-H166 IonicContact OE2-NE2 3.46Å; E112-H166 PolarHBondContact OE2-NE2 2.89Å
113	P	94.4	Very high	91.7	Very high	6 Å²	6	54.1 Å²	54.1	4%	0.039	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	131.5	172.5	26.1	-31.8	0	0	0	111.1	F94 F111 I116	F94-P113 HydrophobicContact CD1-CG 4.22Å; F94-P113 HydrophobicContact CD2-CG 3.97Å; F94-P113 HydrophobicContact CE1-CB 4.16Å; F94-P113 HydrophobicContact CE1-CG 3.91Å; F94-P113 HydrophobicContact CE2-CB 3.77Å; F94-P113 HydrophobicContact CE2-CG 3.62Å; F94-P113 HydrophobicContact CG-CG 4.26Å; F94-P113 HydrophobicContact CZ-CB 3.52Å; F94-P113 HydrophobicContact CZ-CG 3.6Å; F111-P113 HydrophobicContact CE1-CB 4.34Å; F111-P113 WeakPolarHBondContact O-CD 3.19Å; P113-I116 HydrophobicContact CB-CD1 4.32Å; P113-I116 HydrophobicContact CB-CG1 3.87Å; P113-I116 HydrophobicContact CG-CD1 3.85Å; P113-I116 HydrophobicContact CG-CG1 3.93Å
114	V	94.5	Very high	91.2	Very high	70 Å²	70	52.1 Å²	52.1	42%	0.424	27%	0.273	S	S	.	.	S	Bend	trans	-109.2	-0.8	174.5	-57	0	0	0	0	112.5	E112 T162	E112-V114 PolarHBondContact O-N 2.97Å; V114-T162 HydrophobicContact CG2-CG2 4.07Å; V114-T162 WeakPolarHBondContact CG2-O 3.34Å; V114-T162 PolarHBondContact N-O 2.98Å
115	D	92.8	Very high	90.8	Very high	55 Å²	55	53.5 Å²	53.5	29%	0.294	28%	0.282	S	S	.	.			trans	-106.6	23.8	-178.1	67.5	-9.9	0	0	0	113	T117 R161 T162	D115-T117 PolarHBondContact O-N 2.58Å; D115-R161 IonicContact OD1-CZ 2.87Å; D115-R161 VanDerWaalsContact OD1-CZ 3.29Å; D115-R161 IonicContact OD1-NE 2.82Å; D115-R161 PolarHBondContact OD1-NE 3.49Å; D115-R161 IonicContact OD1-NH2 3.26Å; D115-R161 PolarHBondContact OD1-NH2 3.03Å; D115-R161 VanDerWaalsContact OD2-CA 3.28Å; D115-R161 WeakPolarHBondContact OD2-CA 3.41Å; D115-R161 IonicContact OD2-NE 3.43Å; D115-R161 PolarHBondContact OD2-NE 3.3Å; D115-T162 PolarHBondContact N-O 3.38Å; D115-T162 PolarHBondContact OD2-N 3.16Å
116	I	89.1	Confident	90.3	Very high	45 Å²	45	57.4 Å²	57.4	23%	0.231	30%	0.299	C	S	.	.			trans	-67	127.2	-179.4	-49.7	-179.2	0	0	0	109.5	P113 E120 E121	P113-I116 HydrophobicContact CB-CD1 4.32Å; P113-I116 HydrophobicContact CB-CG1 3.87Å; P113-I116 HydrophobicContact CG-CD1 3.85Å; P113-I116 HydrophobicContact CG-CG1 3.93Å; I116-E120 HydrophobicContact CG2-CB 3.79Å; I116-E121 HydrophobicContact CG2-CB 4.19Å
117	T	89.9	Confident	89.5	Confident	59 Å²	59	60.1 Å²	60.1	36%	0.362	31%	0.313	S	S	.	.			trans	-82.7	161.7	175.4	81	0	0	0	0	111.5	D115 E119 E120 E121	D115-T117 PolarHBondContact O-N 2.58Å; T117-E119 VanDerWaalsContact CB-OE2 3.25Å; T117-E119 WeakPolarHBondContact CB-OE2 3.39Å; T117-E119 PolarHBondContact O-N 3.38Å; T117-E119 PolarHBondContact OG1-N 3.39Å; T117-E119 PolarHBondContact OG1-OE2 3.22Å; T117-E120 PolarHBondContact N-OE2 3.08Å; T117-E120 PolarHBondContact O-N 3.33Å; T117-E120 VanDerWaalsContact O-N 3.16Å; T117-E120 PolarHBondContact OG1-N 3.24Å; T117-E121 PolarHBondContact O-N 2.85Å
118	A	87.4	Confident	88.9	Confident	77 Å²	77	60 Å²	60	64%	0.636	31%	0.314	S	S	*	.	H	α-helix	trans	-60.3	-32.9	177.3	0	0	0	0	0	112.5	Q122	A118-Q122 PolarHBondContact O-N 2.9Å; A118-Q122 VanDerWaalsContact O-N 3.16Å
119	E	85.8	Confident	88.4	Confident	128 Å²	128	61.3 Å²	61.3	60%	0.598	32%	0.319	S	S	*	.	H	α-helix	trans	-68.3	-45.8	174.4	-54.8	84.5	-177.2	0	0	111.7	T117 E121 Q122 E123	T117-E119 VanDerWaalsContact CB-OE2 3.25Å; T117-E119 WeakPolarHBondContact CB-OE2 3.39Å; T117-E119 PolarHBondContact O-N 3.38Å; T117-E119 PolarHBondContact OG1-N 3.39Å; T117-E119 PolarHBondContact OG1-OE2 3.22Å; E119-E121 VanDerWaalsContact C-N 3.29Å; E119-E121 PolarHBondContact O-N 3.36Å; E119-Q122 PolarHBondContact O-N 3.31Å; E119-Q122 VanDerWaalsContact O-N 3.13Å; E119-E123 PolarHBondContact O-N 3.04Å; E119-E123 VanDerWaalsContact O-N 3.07Å
120	E	84.6	Confident	87.8	Confident	52 Å²	52	63.6 Å²	63.6	24%	0.243	34%	0.335	C	S	.	.	H	α-helix	trans	-61.3	-39.2	176.7	-70.6	-175.3	149.4	0	0	111.3	I116 T117 Q122 E123 E124 R161	I116-E120 HydrophobicContact CG2-CB 3.79Å; T117-E120 PolarHBondContact N-OE2 3.08Å; T117-E120 PolarHBondContact O-N 3.33Å; T117-E120 VanDerWaalsContact O-N 3.16Å; T117-E120 PolarHBondContact OG1-N 3.24Å; E120-Q122 VanDerWaalsContact C-N 3.3Å; E120-Q122 PolarHBondContact O-N 2.95Å; E120-E123 PolarHBondContact O-N 2.81Å; E120-E124 VanDerWaalsContact O-CB 3.3Å; E120-E124 WeakPolarHBondContact O-CB 3.43Å; E120-E124 PolarHBondContact O-N 3.08Å; E120-R161 IonicContact OE1-CZ 2.58Å; E120-R161 IonicContact OE1-NH1 3.47Å; E120-R161 PolarHBondContact OE1-NH1 2.87Å; E120-R161 IonicContact OE1-NH2 2.64Å; E120-R161 IonicContact OE2-CZ 3.6Å; E120-R161 IonicContact OE2-NH1 3.36Å; E120-R161 PolarHBondContact OE2-NH1 3.43Å; E120-R161 IonicContact OE2-NH2 3.84Å; E120-R161 PolarHBondContact OE2-NH2 2.81Å
121	E	84.7	Confident	87.4	Confident	98 Å²	98	63.4 Å²	63.4	46%	0.458	33%	0.334	S	S	.	.	H	α-helix	trans	-66.1	-31.9	176.8	-172.9	169	-154.4	0	0	112.2	I116 T117 E119 K129	I116-E121 HydrophobicContact CG2-CB 4.19Å; T117-E121 PolarHBondContact O-N 2.85Å; E119-E121 VanDerWaalsContact C-N 3.29Å; E119-E121 PolarHBondContact O-N 3.36Å; E121-K129 WeakPolarHBondContact O-CE 3.19Å; E121-K129 PolarHBondContact O-NZ 3.26Å
122	Q	82.4	Confident	87.1	Confident	161 Å²	161	65.1 Å²	65.1	75%	0.752	34%	0.341	S	S	*	.	H	α-helix	trans	-75	-33.3	176.6	-169.9	61.1	41	0	0	112.4	A118 E119 E120 E124	A118-Q122 PolarHBondContact O-N 2.9Å; A118-Q122 VanDerWaalsContact O-N 3.16Å; E119-Q122 PolarHBondContact O-N 3.31Å; E119-Q122 VanDerWaalsContact O-N 3.13Å; E120-Q122 VanDerWaalsContact C-N 3.3Å; E120-Q122 PolarHBondContact O-N 2.95Å; Q122-E124 VanDerWaalsContact C-N 3.35Å
123	E	81	Confident	86.8	Confident	160 Å²	160	70.8 Å²	70.8	75%	0.748	36%	0.361	S	S	*	.	H	α-helix	trans	-78.7	-19.8	175.8	-68.7	178.8	-178.9	0	0	112.8	E119 E120 V125	E119-E123 PolarHBondContact O-N 3.04Å; E119-E123 VanDerWaalsContact O-N 3.07Å; E120-E123 PolarHBondContact O-N 2.81Å; E123-V125 PolarHBondContact O-N 3.36Å
124	E	80.7	Confident	86.6	Confident	25 Å²	25	73.6 Å²	73.6	12%	0.117	37%	0.371	C	S	.	.	S	Bend	trans	-66.8	123.3	-178	-174.9	169.5	-139.6	0	0	112.5	E120 Q122 L128 K129 R132	E120-E124 VanDerWaalsContact O-CB 3.3Å; E120-E124 WeakPolarHBondContact O-CB 3.43Å; E120-E124 PolarHBondContact O-N 3.08Å; Q122-E124 VanDerWaalsContact C-N 3.35Å; E124-L128 HydrophobicContact CG-CB 3.85Å; E124-L128 HydrophobicContact CG-CD2 3.88Å; E124-L128 HydrophobicContact CG-CG 4.04Å; E124-L128 WeakPolarHBondContact OE1-CD2 3.39Å; E124-L128 VanDerWaalsContact OE1-CG 3.23Å; E124-L128 WeakPolarHBondContact OE1-CG 3.3Å; E124-K129 HydrophobicContact CB-CG 4.48Å; E124-K129 HydrophobicContact CG-CG 3.87Å; E124-K129 WeakPolarHBondContact O-CE 3.48Å; E124-K129 WeakPolarHBondContact OE2-CG 3.48Å; E124-R132 IonicContact OE1-CZ 3.35Å; E124-R132 IonicContact OE1-NH1 3.83Å; E124-R132 PolarHBondContact OE1-NH1 2.87Å; E124-R132 IonicContact OE2-CZ 2.85Å; E124-R132 VanDerWaalsContact OE2-CZ 3.26Å; E124-R132 IonicContact OE2-NH1 2.85Å; E124-R132 PolarHBondContact OE2-NH1 3.46Å; E124-R132 IonicContact OE2-NH2 3.89Å; E124-R132 PolarHBondContact OE2-NH2 2.88Å
125	V	83.1	Confident	86.5	Confident	86 Å²	86	71 Å²	71	52%	0.521	35%	0.354	S	S	.	.			trans	-62.4	139.3	178.6	-170.7	0	0	0	0	110.4	E123 N127 L128 K129	E123-V125 PolarHBondContact O-N 3.36Å; V125-N127 HydrophobicContact CG1-CB 4.49Å; V125-N127 PolarHBondContact O-N 3.26Å; V125-N127 VanDerWaalsContact O-N 3.09Å; V125-L128 WeakPolarHBondContact O-CB 3.15Å; V125-L128 PolarHBondContact O-N 3.4Å; V125-K129 PolarHBondContact O-N 3.4Å
126	E	83.8	Confident	86.5	Confident	115 Å²	115	70 Å²	70	54%	0.537	35%	0.351	S	S	.	.	H	α-helix	trans	-55.5	-33.5	-176.4	-170.5	58.1	-148.6	0	0	113.3	L128 K129 S130	E126-L128 VanDerWaalsContact C-N 3.3Å; E126-L128 PolarHBondContact O-N 3.16Å; E126-K129 PolarHBondContact O-N 3.36Å; E126-S130 WeakPolarHBondContact O-CB 3.27Å; E126-S130 PolarHBondContact O-N 2.71Å
127	N	82.1	Confident	86.7	Confident	56 Å²	56	72 Å²	72	30%	0.299	37%	0.369	S	S	.	.	H	α-helix	trans	-60.1	-39.8	174.7	-71	-7	0	0	0	112.1	V125 S130 I131 S189 L190	V125-N127 HydrophobicContact CG1-CB 4.49Å; V125-N127 PolarHBondContact O-N 3.26Å; V125-N127 VanDerWaalsContact O-N 3.09Å; N127-S130 WeakPolarHBondContact O-CB 3.39Å; N127-S130 PolarHBondContact O-N 2.85Å; N127-I131 WeakPolarHBondContact O-CG1 3.25Å; N127-I131 PolarHBondContact O-N 2.85Å; N127-S189 PolarHBondContact ND2-OG 2.85Å; N127-L190 HydrophobicContact CB-CD1 4.49Å; N127-L190 HydrophobicContact CB-CD2 4.49Å
128	L	84.9	Confident	86.9	Confident	19 Å²	19	72.3 Å²	72.3	10%	0.099	37%	0.368	C	S	.	.	H	α-helix	trans	-67.6	-43.6	179.1	-168.7	52.4	0	0	0	111.2	F94 P95 E124 V125 E126 S130 I131 R132 L190	F94-L128 HydrophobicContact CB-CD2 3.84Å; P95-L128 HydrophobicContact CB-CD1 3.81Å; P95-L128 VanDerWaalsContact CD-CD1 3.48Å; P95-L128 HydrophobicContact CG-CD1 3.87Å; E124-L128 HydrophobicContact CG-CB 3.85Å; E124-L128 HydrophobicContact CG-CD2 3.88Å; E124-L128 HydrophobicContact CG-CG 4.04Å; E124-L128 WeakPolarHBondContact OE1-CD2 3.39Å; E124-L128 VanDerWaalsContact OE1-CG 3.23Å; E124-L128 WeakPolarHBondContact OE1-CG 3.3Å; V125-L128 WeakPolarHBondContact O-CB 3.15Å; V125-L128 PolarHBondContact O-N 3.4Å; E126-L128 VanDerWaalsContact C-N 3.3Å; E126-L128 PolarHBondContact O-N 3.16Å; L128-S130 VanDerWaalsContact C-N 3.32Å; L128-S130 PolarHBondContact O-N 3.32Å; L128-I131 PolarHBondContact O-N 3.07Å; L128-R132 PolarHBondContact O-N 3.13Å; L128-L190 HydrophobicContact CB-CD2 3.8Å; L128-L190 HydrophobicContact CD1-CD1 4.1Å; L128-L190 HydrophobicContact CD1-CD2 4.23Å; L128-L190 HydrophobicContact CG-CD2 4.44Å
129	K	86.5	Confident	87.2	Confident	36 Å²	36	72.6 Å²	72.6	16%	0.157	36%	0.362	C	S	.	.	H	α-helix	trans	-58.6	-44.5	173.4	-64.1	-177.3	-177.8	176.7	0	111.6	E121 E124 V125 E126 R132 R133	E121-K129 WeakPolarHBondContact O-CE 3.19Å; E121-K129 PolarHBondContact O-NZ 3.26Å; E124-K129 HydrophobicContact CB-CG 4.48Å; E124-K129 HydrophobicContact CG-CG 3.87Å; E124-K129 WeakPolarHBondContact O-CE 3.48Å; E124-K129 WeakPolarHBondContact OE2-CG 3.48Å; V125-K129 PolarHBondContact O-N 3.4Å; E126-K129 PolarHBondContact O-N 3.36Å; K129-R132 PolarHBondContact O-N 3.49Å; K129-R133 VanDerWaalsContact O-CB 3.28Å; K129-R133 WeakPolarHBondContact O-CB 3.45Å; K129-R133 PolarHBondContact O-N 3.12Å
130	S	87.6	Confident	87.6	Confident	48 Å²	48	69.3 Å²	69.3	34%	0.336	36%	0.357	S	S	.	.	H	α-helix	trans	-61.5	-43.9	178.3	-178	0	0	0	0	112	E126 N127 L128 Y134	E126-S130 WeakPolarHBondContact O-CB 3.27Å; E126-S130 PolarHBondContact O-N 2.71Å; N127-S130 WeakPolarHBondContact O-CB 3.39Å; N127-S130 PolarHBondContact O-N 2.85Å; L128-S130 VanDerWaalsContact C-N 3.32Å; L128-S130 PolarHBondContact O-N 3.32Å; S130-Y134 VanDerWaalsContact O-CB 3.24Å; S130-Y134 WeakPolarHBondContact O-CB 3.28Å; S130-Y134 PolarHBondContact O-N 2.87Å
131	I	88.1	Confident	88	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.015	35%	0.349	C	S	.	.	H	α-helix	trans	-67.9	-47.6	177.5	-70.3	164.3	0	0	0	111.3	F97 N127 L128 R133 Y134 L135 K185 F187 L190	F97-I131 HydrophobicContact CZ-CG2 4.3Å; N127-I131 WeakPolarHBondContact O-CG1 3.25Å; N127-I131 PolarHBondContact O-N 2.85Å; L128-I131 PolarHBondContact O-N 3.07Å; I131-R133 VanDerWaalsContact C-N 3.33Å; I131-R133 PolarHBondContact O-N 2.91Å; I131-Y134 PolarHBondContact O-N 2.82Å; I131-L135 HydrophobicContact CG2-CD1 3.86Å; I131-L135 HydrophobicContact CG2-CG 4.37Å; I131-L135 WeakPolarHBondContact O-CG 3.32Å; I131-L135 PolarHBondContact O-N 2.72Å; I131-K185 HydrophobicContact CG1-CD 4.38Å; I131-F187 HydrophobicContact CD1-CD1 3.56Å; I131-F187 HydrophobicContact CD1-CE1 3.28Å; I131-F187 HydrophobicContact CD1-CZ 4.06Å; I131-F187 HydrophobicContact CG1-CD1 4.39Å; I131-F187 HydrophobicContact CG1-CE1 3.67Å; I131-F187 HydrophobicContact CG1-CZ 4.32Å; I131-F187 HydrophobicContact CG2-CZ 4.39Å; I131-L190 HydrophobicContact CD1-CD1 3.23Å
132	R	89.8	Confident	88.2	Confident	36 Å²	36	66.4 Å²	66.4	14%	0.136	36%	0.361	C	S	.	.	H	α-helix	trans	-53.6	-53.5	175.8	176.6	171.6	69.3	-124.9	1.4	109.9	E124 L128 K129 Y134 L135 T136	E124-R132 IonicContact OE1-CZ 3.35Å; E124-R132 IonicContact OE1-NH1 3.83Å; E124-R132 PolarHBondContact OE1-NH1 2.87Å; E124-R132 IonicContact OE2-CZ 2.85Å; E124-R132 VanDerWaalsContact OE2-CZ 3.26Å; E124-R132 IonicContact OE2-NH1 2.85Å; E124-R132 PolarHBondContact OE2-NH1 3.46Å; E124-R132 IonicContact OE2-NH2 3.89Å; E124-R132 PolarHBondContact OE2-NH2 2.88Å; L128-R132 PolarHBondContact O-N 3.13Å; K129-R132 PolarHBondContact O-N 3.49Å; R132-Y134 VanDerWaalsContact C-N 3.34Å; R132-Y134 PolarHBondContact O-N 3.39Å; R132-L135 PolarHBondContact O-N 2.78Å; R132-T136 HydrophobicContact CG-CG2 4.29Å; R132-T136 VanDerWaalsContact O-CG2 3.27Å; R132-T136 WeakPolarHBondContact O-CG2 3.24Å; R132-T136 PolarHBondContact O-N 2.85Å; R132-T136 PolarHBondContact O-OG1 2.85Å
133	R	90.6	Very high	88.5	Confident	152 Å²	152	68.2 Å²	68.2	57%	0.574	37%	0.366	S	S	*	.	H	α-helix	trans	-58.7	-44.1	179	-170.8	-177.5	-64.3	148.6	2.8	111.8	K129 I131 L135 T136 S137	K129-R133 VanDerWaalsContact O-CB 3.28Å; K129-R133 WeakPolarHBondContact O-CB 3.45Å; K129-R133 PolarHBondContact O-N 3.12Å; I131-R133 VanDerWaalsContact C-N 3.33Å; I131-R133 PolarHBondContact O-N 2.91Å; R133-L135 VanDerWaalsContact C-N 3.34Å; R133-L135 PolarHBondContact O-N 2.94Å; R133-T136 PolarHBondContact O-N 2.84Å; R133-S137 WeakPolarHBondContact O-CB 3.34Å; R133-S137 PolarHBondContact O-N 2.82Å; R133-S137 PolarHBondContact O-OG 2.84Å
134	Y	89.8	Confident	89	Confident	64 Å²	64	63.4 Å²	63.4	25%	0.251	35%	0.347	S	S	.	.	H	α-helix	trans	-59.6	-44.3	178.3	179.1	-103	0	0	0	112	S130 I131 R132 N138 Y141 M181	S130-Y134 VanDerWaalsContact O-CB 3.24Å; S130-Y134 WeakPolarHBondContact O-CB 3.28Å; S130-Y134 PolarHBondContact O-N 2.87Å; I131-Y134 PolarHBondContact O-N 2.82Å; R132-Y134 VanDerWaalsContact C-N 3.34Å; R132-Y134 PolarHBondContact O-N 3.39Å; Y134-N138 WeakPolarHBondContact O-CB 3.43Å; Y134-N138 PolarHBondContact O-ND2 3.23Å; Y134-Y141 HydrophobicContact CD1-CD1 4.28Å; Y134-Y141 HydrophobicContact CD1-CE1 4.47Å; Y134-Y141 AromaticContact CE1-CD1 3.58Å; Y134-Y141 HydrophobicContact CE1-CD1 3.58Å; Y134-Y141 HydrophobicContact CE1-CE1 4.2Å; Y134-Y141 HydrophobicContact CE1-CG 4.4Å; Y134-Y141 AromaticContact CZ-CD1 3.8Å; Y134-M181 HydrophobicContact CE1-SD 4.01Å
135	L	92.1	Very high	89.7	Confident	15 Å²	15	62.5 Å²	62.5	8%	0.079	35%	0.345	C	S	.	.	H	α-helix	trans	-71.2	-39.8	-179.5	-67.6	174.6	0	0	0	112.4	F97 Y110 I131 R132 R133 N138 Y141 R147 I168	F97-L135 HydrophobicContact CE1-CD1 3.71Å; F97-L135 HydrophobicContact CZ-CD1 3.73Å; Y110-L135 HydrophobicContact CD1-CB 4.18Å; Y110-L135 HydrophobicContact CD1-CD1 3.8Å; Y110-L135 HydrophobicContact CD2-CD1 4.07Å; Y110-L135 HydrophobicContact CE1-CB 4.13Å; Y110-L135 HydrophobicContact CE1-CD1 3.98Å; Y110-L135 HydrophobicContact CE2-CD1 4.23Å; Y110-L135 HydrophobicContact CG-CD1 3.85Å; I131-L135 HydrophobicContact CG2-CD1 3.86Å; I131-L135 HydrophobicContact CG2-CG 4.37Å; I131-L135 WeakPolarHBondContact O-CG 3.32Å; I131-L135 PolarHBondContact O-N 2.72Å; R132-L135 PolarHBondContact O-N 2.78Å; R133-L135 VanDerWaalsContact C-N 3.34Å; R133-L135 PolarHBondContact O-N 2.94Å; L135-N138 VanDerWaalsContact O-O 3.11Å; L135-Y141 HydrophobicContact CD2-CE1 4.1Å; L135-Y141 PolarHBondContact O-OH 3.23Å; L135-R147 PolarHBondContact O-NE 3.07Å; L135-I168 HydrophobicContact CD2-CD1 3.8Å
136	T	92.7	Very high	90.3	Very high	36 Å²	36	60.8 Å²	60.8	22%	0.221	33%	0.334	C	S	.	.	H	α-helix	trans	-88.5	-30.2	-170.8	62.7	0	0	0	0	112.9	Y110 E112 R132 R133 R147	Y110-T136 HydrophobicContact CE1-CG2 4.17Å; E112-T136 HydrophobicContact CG-CG2 3.96Å; E112-T136 WeakPolarHBondContact OE1-CG2 3.3Å; R132-T136 HydrophobicContact CG-CG2 4.29Å; R132-T136 VanDerWaalsContact O-CG2 3.27Å; R132-T136 WeakPolarHBondContact O-CG2 3.24Å; R132-T136 PolarHBondContact O-N 2.85Å; R132-T136 PolarHBondContact O-OG1 2.85Å; R133-T136 PolarHBondContact O-N 2.84Å; T136-R147 PolarHBondContact O-NH2 3.27Å
137	S	93.4	Very high	90.9	Very high	86 Å²	86	56.4 Å²	56.4	60%	0.601	31%	0.313	S	S	*	.	H	α-helix	trans	-83.2	-10.7	179.4	-54	0	0	0	0	113.7	R133	R133-S137 WeakPolarHBondContact O-CB 3.34Å; R133-S137 PolarHBondContact O-N 2.82Å; R133-S137 PolarHBondContact O-OG 2.84Å
138	N	93.4	Very high	91.6	Very high	65 Å²	65	54.2 Å²	54.2	35%	0.348	30%	0.301	S	S	.	.			trans	-120.8	146.4	-179.3	-60.7	-78.4	0	0	0	111.3	Y134 L135 Y141 R147	Y134-N138 WeakPolarHBondContact O-CB 3.43Å; Y134-N138 PolarHBondContact O-ND2 3.23Å; L135-N138 VanDerWaalsContact O-O 3.11Å; N138-Y141 HydrophobicContact CB-CD1 4.19Å; N138-Y141 HydrophobicContact CB-CE1 3.87Å; N138-Y141 PolarHBondContact O-OH 3.18Å; N138-R147 PolarHBondContact O-NE 2.8Å; N138-R147 PolarHBondContact O-NH2 3.02Å
139	V	94.4	Very high	92.3	Very high	84 Å²	84	56 Å²	56	51%	0.509	31%	0.313	S	S	.	.	S	Bend	trans	-106.6	-17.2	171.1	-60.7	0	0	0	0	112.3	R147 V149	V139-R147 PolarHBondContact O-N 2.91Å; V139-V149 HydrophobicContact CB-CG2 4.27Å; V139-V149 HydrophobicContact CG1-CG2 3.55Å
140	A	94.7	Very high	92.7	Very high	59 Å²	59	60.3 Å²	60.3	49%	0.488	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.2	175	0	0	0	0	0	109.6	G145	A140-G145 CarbonylContact C-O 3.53Å; A140-G145 VanDerWaalsContact CA-O 3.32Å; A140-G145 WeakPolarHBondContact CA-O 3.44Å
141	Y	91.6	Very high	93.2	Very high	21 Å²	21	58.6 Å²	58.6	8%	0.082	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	110.3	-178.8	-48.4	-70.3	0	0	0	109.7	Y134 L135 N138 G145 R147 I168	Y134-Y141 HydrophobicContact CD1-CD1 4.28Å; Y134-Y141 HydrophobicContact CD1-CE1 4.47Å; Y134-Y141 AromaticContact CE1-CD1 3.58Å; Y134-Y141 HydrophobicContact CE1-CD1 3.58Å; Y134-Y141 HydrophobicContact CE1-CE1 4.2Å; Y134-Y141 HydrophobicContact CE1-CG 4.4Å; Y134-Y141 AromaticContact CZ-CD1 3.8Å; L135-Y141 HydrophobicContact CD2-CE1 4.1Å; L135-Y141 PolarHBondContact O-OH 3.23Å; N138-Y141 HydrophobicContact CB-CD1 4.19Å; N138-Y141 HydrophobicContact CB-CE1 3.87Å; N138-Y141 PolarHBondContact O-OH 3.18Å; Y141-G145 PolarHBondContact N-O 3.09Å; Y141-G145 WeakPolarHBondContact O-CA 3.41Å; Y141-G145 PolarHBondContact O-N 2.9Å; Y141-R147 HydrophobicContact CE2-CB 3.87Å; Y141-R147 VanDerWaalsContact OH-CD 3.25Å; Y141-R147 WeakPolarHBondContact OH-CD 3.27Å; Y141-R147 PolarHBondContact OH-NE 3.38Å; Y141-R147 VanDerWaalsContact OH-NE 3.17Å; Y141-I168 HydrophobicContact CD2-CG2 3.83Å; Y141-I168 HydrophobicContact CE2-CB 4.39Å; Y141-I168 HydrophobicContact CE2-CD1 3.82Å; Y141-I168 HydrophobicContact CE2-CG1 3.93Å; Y141-I168 HydrophobicContact CE2-CG2 3.59Å
142	G	90	Very high	93.7	Very high	68 Å²	68	59.4 Å²	59.4	70%	0.701	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	-138.6	-170.1	0	0	0	0	0	111.1
143	K	88.1	Confident	94.1	Very high	198 Å²	198	57.9 Å²	57.9	86%	0.861	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-18.6	-179.3	-65.2	-171.9	178.2	-173.3	0	114.4
144	T	91.1	Very high	94.5	Very high	59 Å²	59	57.6 Å²	57.6	36%	0.362	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.3	-13.8	-164.4	58.6	0	0	0	0	114.3	P171	T144-P171 HydrophobicContact CG2-CG 4.48Å
145	G	95.1	Very high	94.8	Very high	6 Å²	6	60.1 Å²	60.1	6%	0.062	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	136.4	175.9	0	0	0	0	0	111	A140 Y141 R169	A140-G145 CarbonylContact C-O 3.53Å; A140-G145 VanDerWaalsContact CA-O 3.32Å; A140-G145 WeakPolarHBondContact CA-O 3.44Å; Y141-G145 PolarHBondContact N-O 3.09Å; Y141-G145 WeakPolarHBondContact O-CA 3.41Å; Y141-G145 PolarHBondContact O-N 2.9Å; G145-R169 WeakPolarHBondContact CA-O 3.41Å
146	V	96	Very high	95	Very high	50 Å²	50	60.3 Å²	60.3	30%	0.303	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	133.5	-177.8	-178.1	0	0	0	0	108.9	I168 R169	V146-I168 CarbonylContact O-C 3.54Å; V146-I168 WeakPolarHBondContact O-CA 3.47Å; V146-R169 HydrophobicContact CB-CG 4.49Å; V146-R169 PolarHBondContact N-O 2.96Å; V146-R169 PolarHBondContact O-N 3Å
147	R	97.8	Very high	95	Very high	23 Å²	23	63.1 Å²	63.1	9%	0.087	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	119	165.5	-173.7	159.9	55	96.7	-0.8	108.9	L135 T136 N138 V139 Y141 V149 H166 F167 I168	L135-R147 PolarHBondContact O-NE 3.07Å; T136-R147 PolarHBondContact O-NH2 3.27Å; N138-R147 PolarHBondContact O-NE 2.8Å; N138-R147 PolarHBondContact O-NH2 3.02Å; V139-R147 PolarHBondContact O-N 2.91Å; Y141-R147 HydrophobicContact CE2-CB 3.87Å; Y141-R147 VanDerWaalsContact OH-CD 3.25Å; Y141-R147 WeakPolarHBondContact OH-CD 3.27Å; Y141-R147 PolarHBondContact OH-NE 3.38Å; Y141-R147 VanDerWaalsContact OH-NE 3.17Å; R147-V149 VanDerWaalsContact C-N 3.26Å; R147-V149 HydrophobicContact CG-CG2 4.4Å; R147-V149 PolarHBondContact O-N 3.22Å; R147-H166 PolarHBondContact NH1-ND1 3.33Å; R147-F167 CarbonylContact C-O 3.54Å; R147-F167 WeakPolarHBondContact CA-O 3.37Å; R147-I168 HydrophobicContact CB-CG1 4.09Å; R147-I168 HydrophobicContact CG-CG1 3.96Å
148	D	97.1	Very high	94.9	Very high	10 Å²	10	59.4 Å²	59.4	5%	0.053	33%	0.327	C	S	.	.			trans	-80.2	77.1	177.7	-71.1	-43.5	0	0	0	109.1	H150 L151 F167 R169 Y439	D148-H150 PolarHBondContact O-N 3.41Å; D148-H150 VanDerWaalsContact O-N 3.11Å; D148-H150 IonicContact OD1-CE1 3.99Å; D148-L151 HydrophobicContact CB-CD1 4.03Å; D148-L151 HydrophobicContact CB-CG 4.29Å; D148-L151 WeakPolarHBondContact O-CB 3.24Å; D148-L151 PolarHBondContact O-N 2.99Å; D148-F167 PolarHBondContact N-O 2.94Å; D148-R169 IonicContact OD1-CZ 3.2Å; D148-R169 IonicContact OD1-NE 3.09Å; D148-R169 PolarHBondContact OD1-NE 3.4Å; D148-R169 IonicContact OD1-NH2 3.7Å; D148-R169 PolarHBondContact OD1-NH2 3.03Å; D148-R169 WeakPolarHBondContact OD2-CD 3.4Å; D148-R169 IonicContact OD2-CZ 2.68Å; D148-R169 IonicContact OD2-NE 2.69Å; D148-R169 PolarHBondContact OD2-NE 3.49Å; D148-R169 IonicContact OD2-NH2 3.85Å; D148-Y439 PolarHBondContact OD2-OH 3.02Å
149	V	97.6	Very high	94.6	Very high	57 Å²	57	58.3 Å²	58.3	35%	0.345	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-54.9	-32.1	-174.6	-178.7	0	0	0	0	112.9	V139 R147 L151 E152	V139-V149 HydrophobicContact CB-CG2 4.27Å; V139-V149 HydrophobicContact CG1-CG2 3.55Å; R147-V149 VanDerWaalsContact C-N 3.26Å; R147-V149 HydrophobicContact CG-CG2 4.4Å; R147-V149 PolarHBondContact O-N 3.22Å; V149-L151 PolarHBondContact O-N 3.18Å; V149-E152 VanDerWaalsContact O-CB 3.32Å; V149-E152 WeakPolarHBondContact O-CB 3.13Å; V149-E152 PolarHBondContact O-N 3.02Å; V149-E152 VanDerWaalsContact O-N 3.15Å
150	H	96.9	Very high	94.4	Very high	126 Å²	126	56.8 Å²	56.8	58%	0.583	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-66	-15.5	178.5	64.2	-79.9	0	0	0	113.5	D148 F237	D148-H150 PolarHBondContact O-N 3.41Å; D148-H150 VanDerWaalsContact O-N 3.11Å; D148-H150 IonicContact OD1-CE1 3.99Å; H150-F237 VanDerWaalsContact O-CZ 3.25Å; H150-F237 WeakPolarHBondContact O-CZ 3.43Å
151	L	98	Very high	94.3	Very high	12 Å²	12	55.2 Å²	55.2	6%	0.063	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-98.5	1.3	176.6	-61.8	-179.9	0	0	0	112.9	D148 V149 L153 F167 E435 H436 Y439	D148-L151 HydrophobicContact CB-CD1 4.03Å; D148-L151 HydrophobicContact CB-CG 4.29Å; D148-L151 WeakPolarHBondContact O-CB 3.24Å; D148-L151 PolarHBondContact O-N 2.99Å; V149-L151 PolarHBondContact O-N 3.18Å; L151-L153 PolarHBondContact O-N 3.01Å; L151-F167 HydrophobicContact CB-CB 4.42Å; L151-F167 HydrophobicContact CB-CD2 3.84Å; L151-F167 HydrophobicContact CB-CE2 4.45Å; L151-F167 HydrophobicContact CB-CG 4.25Å; L151-F167 WeakPolarHBondContact O-CD2 3.34Å; L151-F167 WeakPolarHBondContact O-CE2 3.38Å; L151-E435 WeakPolarHBondContact CD2-O 3.37Å; L151-H436 PolarHBondContact O-NE2 3.08Å; L151-Y439 HydrophobicContact CD1-CD2 3.95Å; L151-Y439 HydrophobicContact CD1-CE2 3.74Å
152	E	98.4	Very high	94.5	Very high	21 Å²	21	56.4 Å²	56.4	10%	0.098	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-55.4	124.7	-179.1	-177.6	-172.1	-164.9	0	0	111.8	V149 R154 N164 L165 H166 N238	V149-E152 VanDerWaalsContact O-CB 3.32Å; V149-E152 WeakPolarHBondContact O-CB 3.13Å; V149-E152 PolarHBondContact O-N 3.02Å; V149-E152 VanDerWaalsContact O-N 3.15Å; E152-R154 HydrophobicContact CG-CG 4Å; E152-R154 IonicContact OE2-CZ 2.86Å; E152-R154 IonicContact OE2-NE 3.55Å; E152-R154 PolarHBondContact OE2-NE 3.27Å; E152-R154 IonicContact OE2-NH2 3.8Å; E152-R154 PolarHBondContact OE2-NH2 3.24Å; E152-R154 VanDerWaalsContact OE2-NH2 3.1Å; E152-N164 HydrophobicContact CG-CB 4.36Å; E152-L165 WeakPolarHBondContact CA-O 3.31Å; E152-H166 IonicContact OE1-CE1 2.86Å; E152-H166 PolarHBondContact OE1-CE1 3.29Å; E152-N238 PolarHBondContact O-ND2 2.89Å
153	L	98.4	Very high	94.8	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	118.3	169	-62.1	-175.7	0	0	0	109.1	L151 L156 N164 L165 F167 I232 V235 F237	L151-L153 PolarHBondContact O-N 3.01Å; L153-L156 HydrophobicContact CB-CD2 4.37Å; L153-L156 HydrophobicContact CD1-CD2 4.18Å; L153-N164 CarbonylContact O-C 3.51Å; L153-N164 VanDerWaalsContact O-CA 3.24Å; L153-N164 WeakPolarHBondContact O-CA 3.37Å; L153-L165 HydrophobicContact CB-CB 3.97Å; L153-L165 HydrophobicContact CD1-CD2 4.17Å; L153-L165 PolarHBondContact N-O 2.74Å; L153-L165 VanDerWaalsContact N-O 3.11Å; L153-L165 PolarHBondContact O-N 3.42Å; L153-F167 HydrophobicContact CD1-CZ 4.34Å; L153-F167 HydrophobicContact CG-CE2 4.09Å; L153-F167 HydrophobicContact CG-CZ 4.24Å; L153-I232 HydrophobicContact CD1-CD1 3.6Å; L153-V235 HydrophobicContact CD1-CG2 4Å; L153-F237 HydrophobicContact CD2-CD2 3.71Å; L153-F237 HydrophobicContact CD2-CE2 4.49Å
154	R	97.8	Very high	95.3	Very high	145 Å²	145	44.8 Å²	44.8	55%	0.547	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	147.3	-172.5	-64.1	179.6	178	171.5	1.8	112.3	E152 L156 N164 N238	E152-R154 HydrophobicContact CG-CG 4Å; E152-R154 IonicContact OE2-CZ 2.86Å; E152-R154 IonicContact OE2-NE 3.55Å; E152-R154 PolarHBondContact OE2-NE 3.27Å; E152-R154 IonicContact OE2-NH2 3.8Å; E152-R154 PolarHBondContact OE2-NH2 3.24Å; E152-R154 VanDerWaalsContact OE2-NH2 3.1Å; R154-L156 PolarHBondContact O-N 2.86Å; R154-L156 VanDerWaalsContact O-N 3.15Å; R154-N164 WeakPolarHBondContact CA-OD1 3.28Å; R154-N238 PolarHBondContact N-OD1 3.5Å
155	N	96	Very high	95.6	Very high	117 Å²	117	42 Å²	42	63%	0.626	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	52.4	34.2	177.1	-57.4	-47.2	0	0	0	113	G163 N164	N155-G163 CarbonylContact C-O 3.59Å; N155-G163 WeakPolarHBondContact CA-O 3.43Å; N155-G163 PolarHBondContact N-O 3.35Å; N155-N164 PolarHBondContact N-OD1 3.14Å; N155-N164 VanDerWaalsContact N-OD1 3.16Å
156	L	96.3	Very high	95.8	Very high	20 Å²	20	41.9 Å²	41.9	11%	0.105	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	128.8	179.4	-175.8	62.3	0	0	0	109.1	L153 R154 M158 T162 G163 L165 F231 V235	L153-L156 HydrophobicContact CB-CD2 4.37Å; L153-L156 HydrophobicContact CD1-CD2 4.18Å; R154-L156 PolarHBondContact O-N 2.86Å; R154-L156 VanDerWaalsContact O-N 3.15Å; L156-M158 HydrophobicContact CD2-CG 3.94Å; L156-M158 HydrophobicContact CD2-SD 3.31Å; L156-M158 WeakPolarHBondContact CD2-SD 3.26Å; L156-M158 HydrophobicContact CG-CG 3.8Å; L156-M158 HydrophobicContact CG-SD 3.85Å; L156-T162 WeakPolarHBondContact O-CA 3.38Å; L156-G163 PolarHBondContact N-O 3.47Å; L156-G163 PolarHBondContact O-N 3.38Å; L156-L165 HydrophobicContact CD2-CB 4.04Å; L156-L165 HydrophobicContact CD2-CD2 4.1Å; L156-F231 HydrophobicContact CD2-CE1 4.3Å; L156-F231 HydrophobicContact CD2-CZ 4.25Å; L156-V235 HydrophobicContact CD1-CB 3.86Å; L156-V235 HydrophobicContact CD1-CG1 3.92Å; L156-V235 HydrophobicContact CD1-CG2 4.14Å
157	T	93.7	Very high	95.9	Very high	94 Å²	94	39.5 Å²	39.5	58%	0.577	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	118.6	174.8	-57.1	0	0	0	0	110	R161	T157-R161 CarbonylContact C-O 3.5Å; T157-R161 VanDerWaalsContact CA-O 3.27Å; T157-R161 WeakPolarHBondContact CA-O 3.34Å
158	M	90.3	Very high	95.9	Very high	9 Å²	9	38.7 Å²	38.7	4%	0.044	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	130.2	179.5	-61.6	173.6	65.6	0	0	109.8	F111 L156 G160 R161 L165 F231 L446 M447 L450	F111-M158 HydrophobicContact CD2-SD 3.71Å; F111-M158 HydrophobicContact CE2-CB 4.18Å; F111-M158 HydrophobicContact CE2-CG 4.21Å; F111-M158 HydrophobicContact CE2-SD 3.92Å; L156-M158 HydrophobicContact CD2-CG 3.94Å; L156-M158 HydrophobicContact CD2-SD 3.31Å; L156-M158 WeakPolarHBondContact CD2-SD 3.26Å; L156-M158 HydrophobicContact CG-CG 3.8Å; L156-M158 HydrophobicContact CG-SD 3.85Å; M158-G160 PolarHBondContact O-N 2.87Å; M158-G160 VanDerWaalsContact O-N 3.08Å; M158-R161 PolarHBondContact N-O 2.98Å; M158-R161 PolarHBondContact O-N 2.82Å; M158-L165 HydrophobicContact SD-CD1 4.43Å; M158-F231 HydrophobicContact CE-CE1 4.2Å; M158-F231 HydrophobicContact CE-CE2 4.42Å; M158-F231 HydrophobicContact CE-CZ 3.7Å; M158-F231 HydrophobicContact CG-CZ 4.07Å; M158-F231 HydrophobicContact SD-CE1 4.41Å; M158-F231 HydrophobicContact SD-CZ 3.89Å; M158-L446 HydrophobicContact CE-CD2 4.21Å; M158-M447 HydrophobicContact CE-CE 3.03Å; M158-M447 HydrophobicContact CE-SD 4.19Å; M158-L450 HydrophobicContact CE-CD1 3.72Å
159	C	88.4	Confident	95.9	Very high	42 Å²	42	39.7 Å²	39.7	28%	0.284	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	40.2	-177.6	-62.8	0	0	0	0	112.7	R91 W96 R161	R91-C159 WeakPolarHBondContact CD-O 3.26Å; R91-C159 VanDerWaalsContact CZ-O 3.28Å; R91-C159 PolarHBondContact NE-O 2.81Å; R91-C159 PolarHBondContact NH1-O 3.29Å; W96-C159 HydrophobicContact CH2-CB 4.01Å; W96-C159 HydrophobicContact CZ3-CB 4.43Å; C159-R161 VanDerWaalsContact C-N 3.25Å; C159-R161 PolarHBondContact O-N 3.44Å
160	G	88.9	Confident	95.8	Very high	51 Å²	51	37.7 Å²	37.7	53%	0.526	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	22.9	-179.2	0	0	0	0	0	115.4	R91 M158	R91-G160 VanDerWaalsContact NH1-C 3.28Å; R91-G160 PolarHBondContact NH1-O 3.42Å; M158-G160 PolarHBondContact O-N 2.87Å; M158-G160 VanDerWaalsContact O-N 3.08Å
161	R	92.3	Very high	95.7	Very high	27 Å²	27	33.9 Å²	33.9	10%	0.102	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	146.5	164.5	-62.5	-62.6	-65.6	-131	13.2	109.2	F94 W96 F111 D115 E120 T157 M158 C159	F94-R161 HydrophobicContact CZ-CG 4.08Å; W96-R161 HydrophobicContact CH2-CB 4.29Å; W96-R161 HydrophobicContact CH2-CG 3.78Å; W96-R161 HydrophobicContact CZ3-CB 4.37Å; W96-R161 HydrophobicContact CZ3-CG 4.33Å; F111-R161 HydrophobicContact CE1-CB 3.97Å; F111-R161 HydrophobicContact CZ-CB 4.03Å; D115-R161 IonicContact OD1-CZ 2.87Å; D115-R161 VanDerWaalsContact OD1-CZ 3.29Å; D115-R161 IonicContact OD1-NE 2.82Å; D115-R161 PolarHBondContact OD1-NE 3.49Å; D115-R161 IonicContact OD1-NH2 3.26Å; D115-R161 PolarHBondContact OD1-NH2 3.03Å; D115-R161 VanDerWaalsContact OD2-CA 3.28Å; D115-R161 WeakPolarHBondContact OD2-CA 3.41Å; D115-R161 IonicContact OD2-NE 3.43Å; D115-R161 PolarHBondContact OD2-NE 3.3Å; E120-R161 IonicContact OE1-CZ 2.58Å; E120-R161 IonicContact OE1-NH1 3.47Å; E120-R161 PolarHBondContact OE1-NH1 2.87Å; E120-R161 IonicContact OE1-NH2 2.64Å; E120-R161 IonicContact OE2-CZ 3.6Å; E120-R161 IonicContact OE2-NH1 3.36Å; E120-R161 PolarHBondContact OE2-NH1 3.43Å; E120-R161 IonicContact OE2-NH2 3.84Å; E120-R161 PolarHBondContact OE2-NH2 2.81Å; T157-R161 CarbonylContact C-O 3.5Å; T157-R161 VanDerWaalsContact CA-O 3.27Å; T157-R161 WeakPolarHBondContact CA-O 3.34Å; M158-R161 PolarHBondContact N-O 2.98Å; M158-R161 PolarHBondContact O-N 2.82Å; C159-R161 VanDerWaalsContact C-N 3.25Å; C159-R161 PolarHBondContact O-N 3.44Å
162	T	95.9	Very high	95.6	Very high	46 Å²	46	33.8 Å²	33.8	28%	0.282	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	131	172	-58.3	0	0	0	0	109.5	V114 D115 L156	V114-T162 HydrophobicContact CG2-CG2 4.07Å; V114-T162 WeakPolarHBondContact CG2-O 3.34Å; V114-T162 PolarHBondContact N-O 2.98Å; D115-T162 PolarHBondContact N-O 3.38Å; D115-T162 PolarHBondContact OD2-N 3.16Å; L156-T162 WeakPolarHBondContact O-CA 3.38Å
163	G	96.8	Very high	95.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	-177.5	-174	0	0	0	0	0	113.8	F111 E112 N155 L156	F111-G163 VanDerWaalsContact CZ-CA 3.48Å; E112-G163 CarbonylContact O-C 3.51Å; E112-G163 WeakPolarHBondContact O-CA 3.34Å; N155-G163 CarbonylContact C-O 3.59Å; N155-G163 WeakPolarHBondContact CA-O 3.43Å; N155-G163 PolarHBondContact N-O 3.35Å; L156-G163 PolarHBondContact N-O 3.47Å; L156-G163 PolarHBondContact O-N 3.38Å
164	N	98.1	Very high	95.2	Very high	21 Å²	21	42 Å²	42	11%	0.112	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.3	172.4	-57.9	-35	0	0	0	109.7	E112 E152 L153 R154 N155	E112-N164 HydrophobicContact CB-CB 4.47Å; E112-N164 PolarHBondContact N-O 3.02Å; E112-N164 PolarHBondContact O-N 2.98Å; E112-N164 PolarHBondContact OE2-ND2 2.79Å; E152-N164 HydrophobicContact CG-CB 4.36Å; L153-N164 CarbonylContact O-C 3.51Å; L153-N164 VanDerWaalsContact O-CA 3.24Å; L153-N164 WeakPolarHBondContact O-CA 3.37Å; R154-N164 WeakPolarHBondContact CA-OD1 3.28Å; N155-N164 PolarHBondContact N-OD1 3.14Å; N155-N164 VanDerWaalsContact N-OD1 3.16Å
165	L	98.4	Very high	95.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	117.1	173.8	-158.1	66.6	0	0	0	109.6	V109 F111 E152 L153 L156 M158 F167 I232 L446	V109-L165 HydrophobicContact CG1-CD1 3.4Å; V109-L165 HydrophobicContact CG1-CD2 3.91Å; V109-L165 HydrophobicContact CG1-CG 3.53Å; F111-L165 HydrophobicContact CB-CD1 3.96Å; F111-L165 HydrophobicContact CD2-CD1 4.26Å; E152-L165 WeakPolarHBondContact CA-O 3.31Å; L153-L165 HydrophobicContact CB-CB 3.97Å; L153-L165 HydrophobicContact CD1-CD2 4.17Å; L153-L165 PolarHBondContact N-O 2.74Å; L153-L165 VanDerWaalsContact N-O 3.11Å; L153-L165 PolarHBondContact O-N 3.42Å; L156-L165 HydrophobicContact CD2-CB 4.04Å; L156-L165 HydrophobicContact CD2-CD2 4.1Å; M158-L165 HydrophobicContact SD-CD1 4.43Å; L165-F167 HydrophobicContact CB-CE2 4.43Å; L165-F167 HydrophobicContact CD2-CE1 4.42Å; L165-F167 HydrophobicContact CD2-CZ 3.86Å; L165-F167 HydrophobicContact CG-CE2 4.45Å; L165-F167 HydrophobicContact CG-CZ 4.19Å; L165-F167 WeakPolarHBondContact O-CE2 3.43Å; L165-I232 HydrophobicContact CD2-CD1 4.23Å; L165-L446 HydrophobicContact CD1-CD2 3.64Å
166	H	98.5	Very high	95.1	Very high	4 Å²	4	33 Å²	33	2%	0.019	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	143	-179.1	-64.3	-84.3	0	0	0	111.3	V109 Y110 E112 R147 E152	V109-H166 WeakPolarHBondContact CA-O 3.14Å; Y110-H166 HydrophobicContact CD1-CB 4.27Å; Y110-H166 AromaticContact CD1-CD2 3.78Å; Y110-H166 PolarHBondContact N-O 2.82Å; Y110-H166 PolarHBondContact O-N 2.74Å; E112-H166 IonicContact OE2-CD2 3.72Å; E112-H166 IonicContact OE2-CE1 2.79Å; E112-H166 IonicContact OE2-NE2 3.46Å; E112-H166 PolarHBondContact OE2-NE2 2.89Å; R147-H166 PolarHBondContact NH1-ND1 3.33Å; E152-H166 IonicContact OE1-CE1 2.86Å; E152-H166 PolarHBondContact OE1-CE1 3.29Å
167	F	98.4	Very high	94.9	Very high	1 Å²	1	40 Å²	40	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.2	-178	-61	-87.6	0	0	0	110.2	V109 R147 D148 L151 L153 L165 I232 H436 Y439 V443	V109-F167 HydrophobicContact CG2-CD1 3.77Å; V109-F167 HydrophobicContact CG2-CE1 3.98Å; R147-F167 CarbonylContact C-O 3.54Å; R147-F167 WeakPolarHBondContact CA-O 3.37Å; D148-F167 PolarHBondContact N-O 2.94Å; L151-F167 HydrophobicContact CB-CB 4.42Å; L151-F167 HydrophobicContact CB-CD2 3.84Å; L151-F167 HydrophobicContact CB-CE2 4.45Å; L151-F167 HydrophobicContact CB-CG 4.25Å; L151-F167 WeakPolarHBondContact O-CD2 3.34Å; L151-F167 WeakPolarHBondContact O-CE2 3.38Å; L153-F167 HydrophobicContact CD1-CZ 4.34Å; L153-F167 HydrophobicContact CG-CE2 4.09Å; L153-F167 HydrophobicContact CG-CZ 4.24Å; L165-F167 HydrophobicContact CB-CE2 4.43Å; L165-F167 HydrophobicContact CD2-CE1 4.42Å; L165-F167 HydrophobicContact CD2-CZ 3.86Å; L165-F167 HydrophobicContact CG-CE2 4.45Å; L165-F167 HydrophobicContact CG-CZ 4.19Å; L165-F167 WeakPolarHBondContact O-CE2 3.43Å; F167-I232 HydrophobicContact CZ-CD1 4.25Å; F167-H436 AromaticContact CE1-CD2 3.75Å; F167-H436 AromaticContact CE2-CD2 3.56Å; F167-H436 AromaticContact CE2-NE2 3.66Å; F167-H436 AromaticContact CZ-CD2 3.36Å; F167-H436 WeakPolarHBondContact CZ-CD2 3.44Å; F167-H436 AromaticContact CZ-NE2 3.79Å; F167-Y439 HydrophobicContact CB-CD1 3.99Å; F167-Y439 HydrophobicContact CB-CD2 4.1Å; F167-Y439 HydrophobicContact CB-CE1 3.82Å; F167-Y439 HydrophobicContact CB-CE2 3.92Å; F167-Y439 HydrophobicContact CB-CG 4.13Å; F167-Y439 AromaticContact CD1-CD1 3.75Å; F167-Y439 HydrophobicContact CD1-CD1 3.75Å; F167-Y439 AromaticContact CD1-CD2 3.95Å; F167-Y439 HydrophobicContact CD1-CD2 3.95Å; F167-Y439 HydrophobicContact CD1-CE1 4.45Å; F167-Y439 AromaticContact CD1-CG 3.47Å; F167-Y439 HydrophobicContact CD1-CG 3.47Å; F167-Y439 VanDerWaalsContact CD1-CG 3.47Å; F167-Y439 HydrophobicContact CE1-CG 4.31Å; F167-Y439 HydrophobicContact CG-CD1 4.37Å; F167-Y439 HydrophobicContact CG-CD2 4.32Å; F167-Y439 HydrophobicContact CG-CG 4.2Å; F167-V443 HydrophobicContact CE1-CG2 3.91Å
168	I	98.2	Very high	94.9	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.026	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.5	-171.7	-59.2	170.9	0	0	0	109.3	K107 L108 L135 Y141 V146 R147 Y439	K107-I168 CarbonylContact C-O 3.57Å; K107-I168 WeakPolarHBondContact CA-O 3.36Å; L108-I168 HydrophobicContact CB-CB 4.21Å; L108-I168 PolarHBondContact N-O 3.37Å; L108-I168 PolarHBondContact O-N 2.88Å; L135-I168 HydrophobicContact CD2-CD1 3.8Å; Y141-I168 HydrophobicContact CD2-CG2 3.83Å; Y141-I168 HydrophobicContact CE2-CB 4.39Å; Y141-I168 HydrophobicContact CE2-CD1 3.82Å; Y141-I168 HydrophobicContact CE2-CG1 3.93Å; Y141-I168 HydrophobicContact CE2-CG2 3.59Å; V146-I168 CarbonylContact O-C 3.54Å; V146-I168 WeakPolarHBondContact O-CA 3.47Å; R147-I168 HydrophobicContact CB-CG1 4.09Å; R147-I168 HydrophobicContact CG-CG1 3.96Å; I168-Y439 WeakPolarHBondContact O-CE1 3.45Å
169	R	96.7	Very high	95	Very high	31 Å²	31	36.1 Å²	36.1	12%	0.117	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	154.3	177	59.3	179.4	168.7	92.6	4.8	112.4	V106 G145 V146 D148 E315 Y439	V106-R169 VanDerWaalsContact O-CA 3.23Å; V106-R169 WeakPolarHBondContact O-CA 3.45Å; V106-R169 WeakPolarHBondContact O-CB 3.23Å; G145-R169 WeakPolarHBondContact CA-O 3.41Å; V146-R169 HydrophobicContact CB-CG 4.49Å; V146-R169 PolarHBondContact N-O 2.96Å; V146-R169 PolarHBondContact O-N 3Å; D148-R169 IonicContact OD1-CZ 3.2Å; D148-R169 IonicContact OD1-NE 3.09Å; D148-R169 PolarHBondContact OD1-NE 3.4Å; D148-R169 IonicContact OD1-NH2 3.7Å; D148-R169 PolarHBondContact OD1-NH2 3.03Å; D148-R169 WeakPolarHBondContact OD2-CD 3.4Å; D148-R169 IonicContact OD2-CZ 2.68Å; D148-R169 IonicContact OD2-NE 2.69Å; D148-R169 PolarHBondContact OD2-NE 3.49Å; D148-R169 IonicContact OD2-NH2 3.85Å; R169-E315 IonicContact CZ-OE1 3.31Å; R169-E315 IonicContact NH1-OE1 3.92Å; R169-E315 PolarHBondContact NH1-OE1 3.02Å; R169-Y439 HydrophobicContact CB-CE1 4.45Å; R169-Y439 WeakPolarHBondContact CB-OH 3.28Å; R169-Y439 WeakPolarHBondContact CD-OH 3.33Å; R169-Y439 WeakPolarHBondContact CG-OH 3.35Å
170	F	96	Very high	95.2	Very high	15 Å²	15	39.1 Å²	39.1	7%	0.066	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	158.2	169	58.4	-87.3	0	0	0	110.5	V106 A174 M175 F178	V106-F170 HydrophobicContact CB-CD1 4.09Å; V106-F170 HydrophobicContact CB-CD2 4.03Å; V106-F170 HydrophobicContact CB-CE1 3.74Å; V106-F170 HydrophobicContact CB-CE2 3.68Å; V106-F170 HydrophobicContact CB-CG 4.23Å; V106-F170 HydrophobicContact CB-CZ 3.53Å; V106-F170 HydrophobicContact CG1-CD1 4.44Å; V106-F170 HydrophobicContact CG1-CE1 3.67Å; V106-F170 HydrophobicContact CG1-CE2 4.13Å; V106-F170 HydrophobicContact CG1-CZ 3.49Å; V106-F170 VanDerWaalsContact CG1-CZ 3.49Å; V106-F170 HydrophobicContact CG2-CD2 3.92Å; V106-F170 HydrophobicContact CG2-CE1 4.4Å; V106-F170 HydrophobicContact CG2-CE2 3.42Å; V106-F170 VanDerWaalsContact CG2-CE2 3.42Å; V106-F170 HydrophobicContact CG2-CZ 3.71Å; V106-F170 PolarHBondContact N-O 3.37Å; V106-F170 PolarHBondContact O-N 2.97Å; V106-F170 VanDerWaalsContact O-N 3.1Å; F170-A174 HydrophobicContact CD2-CB 4.23Å; F170-M175 HydrophobicContact CE2-CE 4.42Å; F170-M175 HydrophobicContact CE2-SD 4.3Å; F170-M175 HydrophobicContact CZ-CE 4.41Å; F170-M175 HydrophobicContact CZ-SD 4.32Å; F170-F178 AromaticContact CE1-CD2 3.75Å; F170-F178 HydrophobicContact CE1-CD2 3.75Å; F170-F178 HydrophobicContact CE1-CE2 4.17Å; F170-F178 HydrophobicContact CE1-CG 4.11Å; F170-F178 HydrophobicContact CE2-CB 3.8Å; F170-F178 HydrophobicContact CE2-CD2 4.49Å; F170-F178 HydrophobicContact CE2-CG 4.13Å; F170-F178 HydrophobicContact CZ-CB 3.7Å; F170-F178 HydrophobicContact CZ-CD1 4.05Å; F170-F178 AromaticContact CZ-CD2 3.63Å; F170-F178 HydrophobicContact CZ-CD2 3.63Å; F170-F178 HydrophobicContact CZ-CE2 4.3Å; F170-F178 AromaticContact CZ-CG 3.49Å; F170-F178 HydrophobicContact CZ-CG 3.49Å; F170-F178 VanDerWaalsContact CZ-CG 3.49Å
171	P	94.1	Very high	95.2	Very high	46 Å²	46	38.9 Å²	38.9	30%	0.299	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	136	175.5	-22.8	34	0	0	0	112	T104 T144 Q173 A174	T104-P171 WeakPolarHBondContact O-CA 3.03Å; T144-P171 HydrophobicContact CG2-CG 4.48Å; P171-Q173 PolarHBondContact O-N 3.36Å; P171-Q173 VanDerWaalsContact O-N 3.11Å; P171-A174 WeakPolarHBondContact O-CB 3.3Å; P171-A174 PolarHBondContact O-N 2.93Å
172	T	95.2	Very high	94.9	Very high	11 Å²	11	37.7 Å²	37.7	7%	0.067	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-58	-28.6	177.7	-55.4	0	0	0	0	112.4	I101 G102 T104 L105 V106 A174 M175 F204	I101-T172 HydrophobicContact CG2-CG2 4.26Å; G102-T172 WeakPolarHBondContact O-CG2 3.45Å; G102-T172 PolarHBondContact O-OG1 3.23Å; T104-T172 PolarHBondContact O-N 3.49Å; T104-T172 PolarHBondContact O-OG1 2.83Å; L105-T172 VanDerWaalsContact C-OG1 3.23Å; L105-T172 WeakPolarHBondContact CA-OG1 3.28Å; L105-T172 PolarHBondContact N-OG1 2.88Å; L105-T172 VanDerWaalsContact N-OG1 3.14Å; V106-T172 HydrophobicContact CG2-CG2 4.46Å; T172-A174 PolarHBondContact O-N 3Å; T172-M175 WeakPolarHBondContact O-CB 3.31Å; T172-M175 PolarHBondContact O-N 3.24Å; T172-F204 HydrophobicContact CG2-CE2 3.66Å; T172-F204 HydrophobicContact CG2-CZ 3.98Å
173	Q	93.4	Very high	94.5	Very high	184 Å²	184	41.9 Å²	41.9	86%	0.86	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-61	-24.9	173.3	-172.2	178.9	-0.7	0	0	113.3	P171 M175 P176	P171-Q173 PolarHBondContact O-N 3.36Å; P171-Q173 VanDerWaalsContact O-N 3.11Å; Q173-M175 VanDerWaalsContact C-N 3.27Å; Q173-M175 PolarHBondContact O-N 3.31Å; Q173-P176 WeakPolarHBondContact O-CD 3.21Å
174	A	95.3	Very high	94	Very high	14 Å²	14	47.1 Å²	47.1	12%	0.116	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-84.2	3.8	175.9	0	0	0	0	0	113.4	F170 P171 T172 P176 R177 F178	F170-A174 HydrophobicContact CD2-CB 4.23Å; P171-A174 WeakPolarHBondContact O-CB 3.3Å; P171-A174 PolarHBondContact O-N 2.93Å; T172-A174 PolarHBondContact O-N 3Å; A174-P176 VanDerWaalsContact C-CD 3.49Å; A174-R177 WeakPolarHBondContact O-CB 3.49Å; A174-R177 PolarHBondContact O-N 2.99Å; A174-F178 PolarHBondContact O-N 3.33Å
175	M	96.1	Very high	93.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-52.9	-43.4	179.4	-173.1	61	82.2	0	0	114	I101 V106 F170 T172 Q173 R177 F178 I179 F204 F208	I101-M175 HydrophobicContact CB-CE 4.22Å; I101-M175 HydrophobicContact CD1-CE 3.83Å; I101-M175 HydrophobicContact CG1-CE 3.82Å; I101-M175 HydrophobicContact CG2-CE 3.35Å; V106-M175 HydrophobicContact CB-CE 4.42Å; V106-M175 HydrophobicContact CG1-CE 4.08Å; V106-M175 HydrophobicContact CG2-CE 3.47Å; V106-M175 VanDerWaalsContact CG2-CE 3.47Å; F170-M175 HydrophobicContact CE2-CE 4.42Å; F170-M175 HydrophobicContact CE2-SD 4.3Å; F170-M175 HydrophobicContact CZ-CE 4.41Å; F170-M175 HydrophobicContact CZ-SD 4.32Å; T172-M175 WeakPolarHBondContact O-CB 3.31Å; T172-M175 PolarHBondContact O-N 3.24Å; Q173-M175 VanDerWaalsContact C-N 3.27Å; Q173-M175 PolarHBondContact O-N 3.31Å; M175-R177 PolarHBondContact O-N 3.5Å; M175-F178 WeakPolarHBondContact O-CB 3.05Å; M175-F178 PolarHBondContact O-N 3.39Å; M175-F178 HydrophobicContact SD-CB 4.31Å; M175-F178 HydrophobicContact SD-CD1 3.85Å; M175-F178 HydrophobicContact SD-CG 4.43Å; M175-I179 HydrophobicContact CG-CD1 3.81Å; M175-I179 HydrophobicContact CG-CG1 4.15Å; M175-I179 WeakPolarHBondContact O-CG1 3.49Å; M175-I179 PolarHBondContact O-N 3.18Å; M175-I179 HydrophobicContact SD-CD1 4.3Å; M175-I179 HydrophobicContact SD-CG1 4.1Å; M175-F204 HydrophobicContact CB-CD1 4.39Å; M175-F204 HydrophobicContact CB-CE1 4.03Å; M175-F204 HydrophobicContact CB-CE2 4.37Å; M175-F204 HydrophobicContact CB-CZ 4.01Å; M175-F204 HydrophobicContact CE-CD2 4.39Å; M175-F204 HydrophobicContact CG-CB 4.5Å; M175-F204 HydrophobicContact CG-CD1 3.84Å; M175-F204 HydrophobicContact CG-CD2 4.12Å; M175-F204 HydrophobicContact CG-CE1 4Å; M175-F204 HydrophobicContact CG-CE2 4.26Å; M175-F204 HydrophobicContact CG-CG 3.91Å; M175-F204 HydrophobicContact CG-CZ 4.2Å; M175-F208 HydrophobicContact CE-CE2 4.37Å; M175-F208 HydrophobicContact SD-CE2 3.86Å; M175-F208 HydrophobicContact SD-CZ 3.84Å
176	P	95.1	Very high	92.4	Very high	71 Å²	71	52.9 Å²	52.9	46%	0.461	25%	0.252	S	S	.	.	H	α-helix	trans	-57.6	-37.1	177.8	-26.6	36.3	0	0	0	113.2	Q173 A174 Q180	Q173-P176 WeakPolarHBondContact O-CD 3.21Å; A174-P176 VanDerWaalsContact C-CD 3.49Å; P176-Q180 WeakPolarHBondContact O-CB 3.38Å; P176-Q180 PolarHBondContact O-N 2.92Å
177	R	93.6	Very high	91.4	Very high	167 Å²	167	54.3 Å²	54.3	63%	0.63	26%	0.258	S	S	*	.	H	α-helix	trans	-70	-37.4	176.4	-66.2	-177.6	178.8	160.3	2	111.9	A174 M175 M181	A174-R177 WeakPolarHBondContact O-CB 3.49Å; A174-R177 PolarHBondContact O-N 2.99Å; M175-R177 PolarHBondContact O-N 3.5Å; R177-M181 WeakPolarHBondContact O-CB 3.03Å; R177-M181 PolarHBondContact O-N 3.16Å
178	F	93.8	Very high	90.3	Very high	22 Å²	22	56 Å²	56	10%	0.096	27%	0.271	C	S	.	.	H	α-helix	trans	-63.8	-46	175.7	175.1	-93.2	0	0	0	111.3	M99 L108 F170 A174 M175 Q180 M181 G182 F208	M99-F178 HydrophobicContact CE-CD1 4.45Å; M99-F178 HydrophobicContact CE-CE1 3.42Å; M99-F178 VanDerWaalsContact CE-CE1 3.42Å; M99-F178 HydrophobicContact CE-CE2 4.35Å; M99-F178 HydrophobicContact CE-CZ 3.36Å; M99-F178 HydrophobicContact SD-CE1 4.33Å; L108-F178 HydrophobicContact CD2-CE2 4.41Å; F170-F178 AromaticContact CE1-CD2 3.75Å; F170-F178 HydrophobicContact CE1-CD2 3.75Å; F170-F178 HydrophobicContact CE1-CE2 4.17Å; F170-F178 HydrophobicContact CE1-CG 4.11Å; F170-F178 HydrophobicContact CE2-CB 3.8Å; F170-F178 HydrophobicContact CE2-CD2 4.49Å; F170-F178 HydrophobicContact CE2-CG 4.13Å; F170-F178 HydrophobicContact CZ-CB 3.7Å; F170-F178 HydrophobicContact CZ-CD1 4.05Å; F170-F178 AromaticContact CZ-CD2 3.63Å; F170-F178 HydrophobicContact CZ-CD2 3.63Å; F170-F178 HydrophobicContact CZ-CE2 4.3Å; F170-F178 AromaticContact CZ-CG 3.49Å; F170-F178 HydrophobicContact CZ-CG 3.49Å; F170-F178 VanDerWaalsContact CZ-CG 3.49Å; A174-F178 PolarHBondContact O-N 3.33Å; M175-F178 WeakPolarHBondContact O-CB 3.05Å; M175-F178 PolarHBondContact O-N 3.39Å; M175-F178 HydrophobicContact SD-CB 4.31Å; M175-F178 HydrophobicContact SD-CD1 3.85Å; M175-F178 HydrophobicContact SD-CG 4.43Å; F178-Q180 PolarHBondContact O-N 3.33Å; F178-M181 HydrophobicContact CD2-CE 3.61Å; F178-M181 HydrophobicContact CE2-CE 3.87Å; F178-M181 WeakPolarHBondContact O-CB 3.21Å; F178-M181 PolarHBondContact O-N 2.7Å; F178-G182 PolarHBondContact O-N 2.88Å; F178-F208 HydrophobicContact CD1-CE1 4.35Å; F178-F208 HydrophobicContact CD1-CZ 4.1Å; F178-F208 AromaticContact CE1-CE1 3.96Å; F178-F208 HydrophobicContact CE1-CE1 3.96Å; F178-F208 AromaticContact CE1-CZ 3.95Å; F178-F208 HydrophobicContact CE1-CZ 3.95Å
179	I	92.8	Very high	89.2	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-42.5	178	-62.3	173.2	0	0	0	110.7	M175 M181 G182 R183 D207 F208 M211 A212	M175-I179 HydrophobicContact CG-CD1 3.81Å; M175-I179 HydrophobicContact CG-CG1 4.15Å; M175-I179 WeakPolarHBondContact O-CG1 3.49Å; M175-I179 PolarHBondContact O-N 3.18Å; M175-I179 HydrophobicContact SD-CD1 4.3Å; M175-I179 HydrophobicContact SD-CG1 4.1Å; I179-M181 VanDerWaalsContact C-N 3.34Å; I179-M181 PolarHBondContact O-N 3.07Å; I179-G182 WeakPolarHBondContact O-CA 3.26Å; I179-G182 PolarHBondContact O-N 3.23Å; I179-G182 VanDerWaalsContact O-N 3.1Å; I179-R183 PolarHBondContact O-N 2.86Å; I179-D207 HydrophobicContact CD1-CB 3.7Å; I179-F208 HydrophobicContact CD1-CD2 3.73Å; I179-F208 HydrophobicContact CD1-CE2 3.77Å; I179-F208 HydrophobicContact CD1-CG 4.2Å; I179-F208 HydrophobicContact CD1-CZ 4.26Å; I179-F208 HydrophobicContact CG1-CD1 4.24Å; I179-F208 HydrophobicContact CG1-CD2 4.1Å; I179-F208 HydrophobicContact CG1-CE1 4.02Å; I179-F208 HydrophobicContact CG1-CE2 3.88Å; I179-F208 HydrophobicContact CG1-CG 4.29Å; I179-F208 HydrophobicContact CG1-CZ 3.84Å; I179-M211 HydrophobicContact CG2-CB 3.53Å; I179-M211 HydrophobicContact CG2-CG 4.43Å; I179-M211 HydrophobicContact CG2-SD 4.3Å; I179-A212 HydrophobicContact CG2-CB 3.97Å
180	Q	91.9	Very high	87.9	Confident	104 Å²	104	58.7 Å²	58.7	49%	0.486	29%	0.293	S	S	.	.	H	α-helix	trans	-59.1	-44.9	174	-176.6	174.4	7.2	0	0	111.8	P176 F178 G182 R183 D184	P176-Q180 WeakPolarHBondContact O-CB 3.38Å; P176-Q180 PolarHBondContact O-N 2.92Å; F178-Q180 PolarHBondContact O-N 3.33Å; Q180-G182 VanDerWaalsContact C-N 3.27Å; Q180-G182 PolarHBondContact O-N 3.43Å; Q180-R183 WeakPolarHBondContact O-CB 3.47Å; Q180-R183 PolarHBondContact O-N 2.86Å; Q180-R183 VanDerWaalsContact O-N 3.16Å; Q180-D184 VanDerWaalsContact O-CG 3.26Å; Q180-D184 PolarHBondContact O-N 2.87Å
181	M	87.9	Confident	86.6	Confident	47 Å²	47	59.9 Å²	59.9	23%	0.232	30%	0.298	C	S	.	.	H	α-helix	trans	-60.6	-36.9	174.3	179.1	-174.8	64.3	0	0	112	Y134 R177 F178 I179 D184 K185	Y134-M181 HydrophobicContact CE1-SD 4.01Å; R177-M181 WeakPolarHBondContact O-CB 3.03Å; R177-M181 PolarHBondContact O-N 3.16Å; F178-M181 HydrophobicContact CD2-CE 3.61Å; F178-M181 HydrophobicContact CE2-CE 3.87Å; F178-M181 WeakPolarHBondContact O-CB 3.21Å; F178-M181 PolarHBondContact O-N 2.7Å; I179-M181 VanDerWaalsContact C-N 3.34Å; I179-M181 PolarHBondContact O-N 3.07Å; M181-D184 PolarHBondContact O-N 3.36Å; M181-K185 HydrophobicContact CG-CD 4.14Å; M181-K185 HydrophobicContact CG-CG 4.46Å; M181-K185 WeakPolarHBondContact O-CB 3.44Å; M181-K185 WeakPolarHBondContact O-CG 3.2Å; M181-K185 PolarHBondContact O-N 2.94Å
182	G	85.8	Confident	85.5	Confident	2 Å²	2	62 Å²	62	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-61.1	-42.9	173.8	0	0	0	0	0	112.6	F178 I179 Q180 N186 F187	F178-G182 PolarHBondContact O-N 2.88Å; I179-G182 WeakPolarHBondContact O-CA 3.26Å; I179-G182 PolarHBondContact O-N 3.23Å; I179-G182 VanDerWaalsContact O-N 3.1Å; Q180-G182 VanDerWaalsContact C-N 3.27Å; Q180-G182 PolarHBondContact O-N 3.43Å; G182-N186 PolarHBondContact O-N 2.77Å; G182-F187 WeakPolarHBondContact O-CB 3.47Å; G182-F187 PolarHBondContact O-N 3.49Å
183	R	87.9	Confident	84.9	Confident	133 Å²	133	63.9 Å²	63.9	50%	0.502	32%	0.322	S	S	.	.	H	α-helix	trans	-60.7	-52.9	171.5	175.6	-174.9	-87.1	-179.6	1.1	111.1	I179 Q180 K185 N186 A210 M211	I179-R183 PolarHBondContact O-N 2.86Å; Q180-R183 WeakPolarHBondContact O-CB 3.47Å; Q180-R183 PolarHBondContact O-N 2.86Å; Q180-R183 VanDerWaalsContact O-N 3.16Å; R183-K185 PolarHBondContact O-N 3.38Å; R183-N186 PolarHBondContact O-N 3.37Å; R183-N186 PolarHBondContact O-OD1 3.35Å; R183-A210 PolarHBondContact NH2-O 3.2Å; R183-M211 PolarHBondContact NE-O 3.34Å; R183-M211 PolarHBondContact NH2-O 2.9Å
184	D	87.3	Confident	84.7	Confident	110 Å²	110	56.2 Å²	56.2	59%	0.588	29%	0.287	S	S	*	.	H	α-helix	trans	-65.7	-26.7	-173.4	-64	-15.9	0	0	0	112.9	Q180 M181	Q180-D184 VanDerWaalsContact O-CG 3.26Å; Q180-D184 PolarHBondContact O-N 2.87Å; M181-D184 PolarHBondContact O-N 3.36Å
185	K	82.1	Confident	84.7	Confident	57 Å²	57	55.6 Å²	55.6	25%	0.248	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	10.1	174.7	-67.9	-170.1	170.9	-63.7	0	113.3	I131 M181 R183 F187	I131-K185 HydrophobicContact CG1-CD 4.38Å; M181-K185 HydrophobicContact CG-CD 4.14Å; M181-K185 HydrophobicContact CG-CG 4.46Å; M181-K185 WeakPolarHBondContact O-CB 3.44Å; M181-K185 WeakPolarHBondContact O-CG 3.2Å; M181-K185 PolarHBondContact O-N 2.94Å; R183-K185 PolarHBondContact O-N 3.38Å; K185-F187 HydrophobicContact CB-CD1 3.72Å; K185-F187 HydrophobicContact CB-CE1 3.58Å; K185-F187 HydrophobicContact CD-CE1 4.13Å; K185-F187 HydrophobicContact CG-CE1 4.46Å; K185-F187 PolarHBondContact O-N 2.97Å
186	N	81.4	Confident	84.8	Confident	86 Å²	86	55.6 Å²	55.6	46%	0.46	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	48.2	179.3	-66.2	25.2	0	0	0	113.5	G182 R183 S188 S189	G182-N186 PolarHBondContact O-N 2.77Å; R183-N186 PolarHBondContact O-N 3.37Å; R183-N186 PolarHBondContact O-OD1 3.35Å; N186-S188 PolarHBondContact O-N 3.43Å; N186-S189 WeakPolarHBondContact O-CB 3.38Å; N186-S189 PolarHBondContact O-N 3.28Å; N186-S189 PolarHBondContact O-OG 3.15Å
187	F	76.8	Confident	84.9	Confident	33 Å²	33	52.2 Å²	52.2	15%	0.145	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-57.7	-33.4	-178.4	-86.5	33	0	0	0	112.9	I131 G182 K185 S189 L190 H191 L214	I131-F187 HydrophobicContact CD1-CD1 3.56Å; I131-F187 HydrophobicContact CD1-CE1 3.28Å; I131-F187 HydrophobicContact CD1-CZ 4.06Å; I131-F187 HydrophobicContact CG1-CD1 4.39Å; I131-F187 HydrophobicContact CG1-CE1 3.67Å; I131-F187 HydrophobicContact CG1-CZ 4.32Å; I131-F187 HydrophobicContact CG2-CZ 4.39Å; G182-F187 WeakPolarHBondContact O-CB 3.47Å; G182-F187 PolarHBondContact O-N 3.49Å; K185-F187 HydrophobicContact CB-CD1 3.72Å; K185-F187 HydrophobicContact CB-CE1 3.58Å; K185-F187 HydrophobicContact CD-CE1 4.13Å; K185-F187 HydrophobicContact CG-CE1 4.46Å; K185-F187 PolarHBondContact O-N 2.97Å; F187-S189 PolarHBondContact O-N 3.47Å; F187-L190 PolarHBondContact O-N 3.22Å; F187-H191 PolarHBondContact O-N 3.37Å; F187-L214 HydrophobicContact CB-CD1 3.96Å; F187-L214 HydrophobicContact CB-CD2 4.38Å
188	S	74.9	Confident	85.1	Confident	37 Å²	37	44.4 Å²	44.4	26%	0.259	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-60.9	-22.9	176.8	56.6	0	0	0	0	113.9	N186 L190 A212 D213	N186-S188 PolarHBondContact O-N 3.43Å; S188-L190 PolarHBondContact O-N 3.25Å; S188-A212 WeakPolarHBondContact CB-O 3.39Å; S188-D213 VanDerWaalsContact CB-O 3.3Å; S188-D213 WeakPolarHBondContact CB-O 3.35Å
189	S	74.4	Confident	85.2	Confident	70 Å²	70	45.7 Å²	45.7	49%	0.49	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-73.8	-14.6	174.9	68.8	0	0	0	0	113.9	N127 N186 F187	N127-S189 PolarHBondContact ND2-OG 2.85Å; N186-S189 WeakPolarHBondContact O-CB 3.38Å; N186-S189 PolarHBondContact O-N 3.28Å; N186-S189 PolarHBondContact O-OG 3.15Å; F187-S189 PolarHBondContact O-N 3.47Å
190	L	70.1	Confident	85.3	Confident	23 Å²	23	45.9 Å²	45.9	12%	0.12	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-40.7	-176.2	-61.8	170.9	0	0	0	112.3	P95 N127 L128 I131 F187 S188	P95-L190 HydrophobicContact CG-CB 4.48Å; P95-L190 HydrophobicContact CG-CD1 4.47Å; N127-L190 HydrophobicContact CB-CD1 4.49Å; N127-L190 HydrophobicContact CB-CD2 4.49Å; L128-L190 HydrophobicContact CB-CD2 3.8Å; L128-L190 HydrophobicContact CD1-CD1 4.1Å; L128-L190 HydrophobicContact CD1-CD2 4.23Å; L128-L190 HydrophobicContact CG-CD2 4.44Å; I131-L190 HydrophobicContact CD1-CD1 3.23Å; F187-L190 PolarHBondContact O-N 3.22Å; S188-L190 PolarHBondContact O-N 3.25Å
191	H	69.3	Low	85.6	Confident	39 Å²	39	40.9 Å²	40.9	18%	0.181	23%	0.23	C	C	.	.			trans	-148.1	131	173.1	-101	-66.2	0	0	0	109	P93 P95 F187 T193 L214	P93-H191 PolarHBondContact O-NE2 3.47Å; P95-H191 PolarHBondContact O-CD2 3.34Å; F187-H191 PolarHBondContact O-N 3.37Å; H191-T193 VanDerWaalsContact C-N 3.33Å; H191-L214 WeakPolarHBondContact O-CD2 3.4Å
192	T	70.3	Confident	86	Confident	92 Å²	92	45.4 Å²	45.4	56%	0.564	25%	0.245	S	C	*	.	S	Bend	trans	-77.5	-24.5	172.6	51.5	0	0	0	0	111.8	E215	T192-E215 PolarHBondContact O-N 3.46Å
193	T	82.6	Confident	86.6	Confident	49 Å²	49	52.7 Å²	52.7	30%	0.301	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.9	-173.8	-54.1	0	0	0	0	111.8	H191 E215 L217	H191-T193 VanDerWaalsContact C-N 3.33Å; T193-E215 CarbonylContact C-O 3.53Å; T193-E215 VanDerWaalsContact CA-O 3.32Å; T193-E215 WeakPolarHBondContact CA-O 3.5Å; T193-L217 HydrophobicContact CG2-CB 3.62Å
194	L	89.6	Confident	87	Confident	23 Å²	23	47.3 Å²	47.3	12%	0.12	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.2	174.7	179.1	67.7	0	0	0	110.1	F97 M99 A196 F208 E215 L216 L217	F97-L194 HydrophobicContact CB-CD1 3.69Å; M99-L194 HydrophobicContact CE-CD2 3.63Å; M99-L194 HydrophobicContact SD-CD2 4.11Å; L194-A196 PolarHBondContact O-N 2.92Å; L194-F208 HydrophobicContact CD2-CE1 4.21Å; L194-E215 PolarHBondContact N-O 3.29Å; L194-L216 HydrophobicContact CB-CD2 3.98Å; L194-L216 HydrophobicContact CD2-CD2 4.02Å; L194-L216 HydrophobicContact CG-CD2 4.33Å; L194-L216 WeakPolarHBondContact O-CA 3.32Å; L194-L217 PolarHBondContact O-N 2.95Å
195	C	95.6	Very high	87.4	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.014	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	115.8	173.5	-69	0	0	0	0	110.1	M99 L219 A445 L449	M99-C195 PolarHBondContact N-O 3.43Å; C195-L219 HydrophobicContact CB-CD1 4.14Å; C195-A445 HydrophobicContact CB-CB 4.28Å; C195-A445 VanDerWaalsContact CB-O 3.26Å; C195-A445 WeakPolarHBondContact CB-O 3.42Å; C195-L449 HydrophobicContact CB-CB 4.45Å
196	A	97.5	Very high	88.1	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.6	-176.2	0	0	0	0	0	111.3	M99 I101 L194 A201 L216 L217 K218 L219	M99-A196 HydrophobicContact CB-CB 4.42Å; M99-A196 CarbonylContact O-C 3.5Å; M99-A196 VanDerWaalsContact O-CA 3.28Å; M99-A196 WeakPolarHBondContact O-CA 3.41Å; I101-A196 HydrophobicContact CD1-CB 4.37Å; L194-A196 PolarHBondContact O-N 2.92Å; A196-A201 HydrophobicContact CB-CB 3.85Å; A196-L216 HydrophobicContact CB-CB 4.4Å; A196-L216 HydrophobicContact CB-CD1 4.25Å; A196-L216 HydrophobicContact CB-CD2 4.09Å; A196-L216 HydrophobicContact CB-CG 4.49Å; A196-L217 PolarHBondContact N-O 2.98Å; A196-K218 CarbonylContact O-C 3.37Å; A196-K218 WeakPolarHBondContact O-CA 3.48Å; A196-L219 PolarHBondContact O-N 2.8Å
197	T	98.4	Very high	88.8	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	179.8	175	-166.5	0	0	0	0	111.1	M99 D100 I101 L219 D220 E221 C224 G441 A445	M99-T197 PolarHBondContact O-N 3.04Å; D100-T197 HydrophobicContact CB-CG2 3.61Å; I101-T197 PolarHBondContact N-O 3.49Å; T197-L219 PolarHBondContact OG1-O 3.24Å; T197-L219 VanDerWaalsContact OG1-O 3.09Å; T197-D220 PolarHBondContact OG1-O 3.42Å; T197-E221 WeakPolarHBondContact OG1-CA 3.23Å; T197-E221 PolarHBondContact OG1-N 2.89Å; T197-C224 HydrophobicContact CG2-CB 3.87Å; T197-G441 WeakPolarHBondContact CG2-O 3.44Å; T197-A445 HydrophobicContact CG2-CB 4.32Å
198	G	96.9	Very high	89.6	Confident	3 Å²	3	44.2 Å²	44.2	3%	0.031	24%	0.243	C	C	.	.	S	Bend	trans	78.9	160.6	-176.1	0	0	0	0	0	112.6	G200 A201	G198-G200 PolarHBondContact O-N 2.99Å; G198-A201 WeakPolarHBondContact O-CB 3.31Å; G198-A201 PolarHBondContact O-N 3.42Å
199	G	94.8	Very high	90.4	Very high	48 Å²	48	47 Å²	47	50%	0.495	25%	0.247	S	C	.	.	H	α-helix	trans	-56.4	-25.3	-176.8	0	0	0	0	0	114.7	A201 Y202 K203	G199-A201 VanDerWaalsContact C-N 3.32Å; G199-A201 PolarHBondContact O-N 3.27Å; G199-Y202 PolarHBondContact O-N 3.01Å; G199-K203 PolarHBondContact O-N 3.28Å
200	G	96.6	Very high	91.2	Very high	5 Å²	5	47.2 Å²	47.2	5%	0.052	25%	0.254	C	S	.	.	H	α-helix	trans	-70.4	-22.7	176	0	0	0	0	0	114.8	I101 G198 Y202 K203 F204	I101-G200 VanDerWaalsContact O-CA 3.31Å; I101-G200 WeakPolarHBondContact O-CA 3.34Å; I101-G200 PolarHBondContact O-N 3.38Å; G198-G200 PolarHBondContact O-N 2.99Å; G200-Y202 PolarHBondContact O-N 3.25Å; G200-K203 PolarHBondContact O-N 3.26Å; G200-F204 VanDerWaalsContact O-CD2 3.31Å; G200-F204 WeakPolarHBondContact O-CD2 3.49Å; G200-F204 PolarHBondContact O-N 2.91Å
201	A	97.3	Very high	92.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.6	-33.6	173.6	0	0	0	0	0	111.7	A196 G198 G199 L216 K218	A196-A201 HydrophobicContact CB-CB 3.85Å; G198-A201 WeakPolarHBondContact O-CB 3.31Å; G198-A201 PolarHBondContact O-N 3.42Å; G199-A201 VanDerWaalsContact C-N 3.32Å; G199-A201 PolarHBondContact O-N 3.27Å; A201-L216 WeakPolarHBondContact O-CD1 3.4Å; A201-K218 HydrophobicContact CB-CG 4.23Å
202	Y	96.9	Very high	92.9	Very high	141 Å²	141	47.4 Å²	47.4	55%	0.553	26%	0.256	S	S	*	.	H	α-helix	trans	-78.6	-45.2	172.1	-66.2	-93.5	0	0	0	111.7	G199 G200 F204 K218	G199-Y202 PolarHBondContact O-N 3.01Å; G200-Y202 PolarHBondContact O-N 3.25Å; Y202-F204 PolarHBondContact O-N 3.22Å; Y202-K218 HydrophobicContact CD1-CD 3.74Å; Y202-K218 HydrophobicContact CD2-CD 4.5Å; Y202-K218 HydrophobicContact CE1-CD 3.89Å; Y202-K218 HydrophobicContact CG-CD 4.06Å
203	K	97.4	Very high	93.8	Very high	156 Å²	156	48.7 Å²	48.7	68%	0.678	26%	0.259	S	S	*	.	H	α-helix	trans	-61.3	-43.2	-175.8	-176.5	-179.9	174.7	179.6	0	113.1	G199 G200	G199-K203 PolarHBondContact O-N 3.28Å; G200-K203 PolarHBondContact O-N 3.26Å
204	F	96.9	Very high	94	Very high	20 Å²	20	46.8 Å²	46.8	9%	0.088	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	3.9	-172.1	-63.8	-74.7	0	0	0	113.3	I101 T172 M175 G200 Y202 N206 D207 F208	I101-F204 HydrophobicContact CG2-CD2 3.88Å; I101-F204 HydrophobicContact CG2-CE2 4.05Å; T172-F204 HydrophobicContact CG2-CE2 3.66Å; T172-F204 HydrophobicContact CG2-CZ 3.98Å; M175-F204 HydrophobicContact CB-CD1 4.39Å; M175-F204 HydrophobicContact CB-CE1 4.03Å; M175-F204 HydrophobicContact CB-CE2 4.37Å; M175-F204 HydrophobicContact CB-CZ 4.01Å; M175-F204 HydrophobicContact CE-CD2 4.39Å; M175-F204 HydrophobicContact CG-CB 4.5Å; M175-F204 HydrophobicContact CG-CD1 3.84Å; M175-F204 HydrophobicContact CG-CD2 4.12Å; M175-F204 HydrophobicContact CG-CE1 4Å; M175-F204 HydrophobicContact CG-CE2 4.26Å; M175-F204 HydrophobicContact CG-CG 3.91Å; M175-F204 HydrophobicContact CG-CZ 4.2Å; G200-F204 VanDerWaalsContact O-CD2 3.31Å; G200-F204 WeakPolarHBondContact O-CD2 3.49Å; G200-F204 PolarHBondContact O-N 2.91Å; Y202-F204 PolarHBondContact O-N 3.22Å; F204-N206 VanDerWaalsContact C-N 3.3Å; F204-N206 PolarHBondContact O-N 3.2Å; F204-D207 WeakPolarHBondContact CD1-OD2 3.46Å; F204-D207 WeakPolarHBondContact O-CB 3.09Å; F204-D207 PolarHBondContact O-N 2.85Å; F204-F208 HydrophobicContact CB-CD2 4.03Å; F204-F208 HydrophobicContact CB-CE2 4.12Å; F204-F208 WeakPolarHBondContact O-CD2 3.49Å; F204-F208 PolarHBondContact O-N 3.42Å
205	E	96.1	Very high	94.1	Very high	36 Å²	36	50.6 Å²	50.6	17%	0.168	26%	0.264	C	S	.	.	H	α-helix	trans	-51.7	-48.3	-177.7	177	175.1	-169.6	0	0	112.6	D207 F208 R209 K218	E205-D207 VanDerWaalsContact C-N 3.3Å; E205-D207 PolarHBondContact O-N 3.36Å; E205-F208 PolarHBondContact O-N 2.92Å; E205-R209 PolarHBondContact O-N 2.82Å; E205-R209 IonicContact OE1-CZ 3.1Å; E205-R209 IonicContact OE1-NH1 3.02Å; E205-R209 PolarHBondContact OE1-NH1 3.28Å; E205-R209 IonicContact OE1-NH2 3.52Å; E205-R209 PolarHBondContact OE1-NH2 3.44Å; E205-K218 IonicContact OE1-NZ 3.29Å; E205-K218 PolarHBondContact OE1-NZ 2.83Å; E205-K218 WeakPolarHBondContact OE2-CD 3.41Å; E205-K218 VanDerWaalsContact OE2-CE 3.24Å; E205-K218 WeakPolarHBondContact OE2-CE 3.33Å; E205-K218 IonicContact OE2-NZ 3.75Å; E205-K218 PolarHBondContact OE2-NZ 2.89Å
206	N	96.3	Very high	94	Very high	114 Å²	114	51 Å²	51	61%	0.61	27%	0.266	S	S	*	.	H	α-helix	trans	-66.6	-33.6	-179.6	-70.3	-25.6	0	0	0	112.2	F204 R209 A210	F204-N206 VanDerWaalsContact C-N 3.3Å; F204-N206 PolarHBondContact O-N 3.2Å; N206-R209 PolarHBondContact O-N 2.94Å; N206-A210 WeakPolarHBondContact O-CB 3.02Å; N206-A210 PolarHBondContact O-N 3.01Å
207	D	95.3	Very high	93.9	Very high	69 Å²	69	54 Å²	54	37%	0.369	28%	0.282	S	S	.	.	H	α-helix	trans	-68.6	-43.5	178	-61.9	-28.9	0	0	0	110.5	I179 F204 E205 R209 M211	I179-D207 HydrophobicContact CD1-CB 3.7Å; F204-D207 WeakPolarHBondContact CD1-OD2 3.46Å; F204-D207 WeakPolarHBondContact O-CB 3.09Å; F204-D207 PolarHBondContact O-N 2.85Å; E205-D207 VanDerWaalsContact C-N 3.3Å; E205-D207 PolarHBondContact O-N 3.36Å; D207-R209 PolarHBondContact O-N 2.79Å; D207-M211 WeakPolarHBondContact O-CA 3.42Å; D207-M211 WeakPolarHBondContact O-CB 3.42Å; D207-M211 WeakPolarHBondContact O-CG 3.49Å; D207-M211 PolarHBondContact O-N 3.18Å
208	F	94.3	Very high	93.9	Very high	1 Å²	1	57.1 Å²	57.1	0%	0.004	30%	0.295	C	S	.	.	I	π-helix	trans	-59.8	-45.9	174	-87.4	-87.6	0	0	0	111.8	M99 I101 M175 F178 I179 L194 F204 E205 A212 D213 L214 L216	M99-F208 HydrophobicContact SD-CZ 4.18Å; I101-F208 HydrophobicContact CD1-CE2 4.12Å; M175-F208 HydrophobicContact CE-CE2 4.37Å; M175-F208 HydrophobicContact SD-CE2 3.86Å; M175-F208 HydrophobicContact SD-CZ 3.84Å; F178-F208 HydrophobicContact CD1-CE1 4.35Å; F178-F208 HydrophobicContact CD1-CZ 4.1Å; F178-F208 AromaticContact CE1-CE1 3.96Å; F178-F208 HydrophobicContact CE1-CE1 3.96Å; F178-F208 AromaticContact CE1-CZ 3.95Å; F178-F208 HydrophobicContact CE1-CZ 3.95Å; I179-F208 HydrophobicContact CD1-CD2 3.73Å; I179-F208 HydrophobicContact CD1-CE2 3.77Å; I179-F208 HydrophobicContact CD1-CG 4.2Å; I179-F208 HydrophobicContact CD1-CZ 4.26Å; I179-F208 HydrophobicContact CG1-CD1 4.24Å; I179-F208 HydrophobicContact CG1-CD2 4.1Å; I179-F208 HydrophobicContact CG1-CE1 4.02Å; I179-F208 HydrophobicContact CG1-CE2 3.88Å; I179-F208 HydrophobicContact CG1-CG 4.29Å; I179-F208 HydrophobicContact CG1-CZ 3.84Å; L194-F208 HydrophobicContact CD2-CE1 4.21Å; F204-F208 HydrophobicContact CB-CD2 4.03Å; F204-F208 HydrophobicContact CB-CE2 4.12Å; F204-F208 WeakPolarHBondContact O-CD2 3.49Å; F204-F208 PolarHBondContact O-N 3.42Å; E205-F208 PolarHBondContact O-N 2.92Å; F208-A212 CarbonylContact O-C 3.55Å; F208-A212 WeakPolarHBondContact O-CA 3.33Å; F208-A212 PolarHBondContact O-N 2.62Å; F208-D213 PolarHBondContact O-N 3.41Å; F208-L214 CarbonylContact C-O 3.52Å; F208-L214 HydrophobicContact CD1-CB 4.26Å; F208-L214 HydrophobicContact CD1-CD1 4.21Å; F208-L214 PolarHBondContact O-N 2.91Å; F208-L216 HydrophobicContact CB-CD1 4.41Å; F208-L216 HydrophobicContact CB-CD2 4.3Å; F208-L216 HydrophobicContact CB-CG 4.12Å; F208-L216 HydrophobicContact CD1-CD2 3.98Å; F208-L216 HydrophobicContact CD2-CD1 3.69Å; F208-L216 HydrophobicContact CD2-CD2 4.16Å; F208-L216 HydrophobicContact CD2-CG 4.18Å; F208-L216 HydrophobicContact CE1-CD2 4.3Å; F208-L216 HydrophobicContact CE2-CD1 4.15Å; F208-L216 HydrophobicContact CE2-CD2 4.47Å; F208-L216 HydrophobicContact CG-CD1 4.12Å; F208-L216 HydrophobicContact CG-CD2 3.89Å; F208-L216 HydrophobicContact CG-CG 4.08Å
209	R	92.4	Very high	93.9	Very high	95 Å²	95	58 Å²	58	36%	0.358	30%	0.3	S	S	.	.	I	π-helix	trans	-65.3	-50.5	179.3	-170.5	176.6	-70	115.5	0.8	111.8	E205 N206 D207 D213 L214	E205-R209 PolarHBondContact O-N 2.82Å; E205-R209 IonicContact OE1-CZ 3.1Å; E205-R209 IonicContact OE1-NH1 3.02Å; E205-R209 PolarHBondContact OE1-NH1 3.28Å; E205-R209 IonicContact OE1-NH2 3.52Å; E205-R209 PolarHBondContact OE1-NH2 3.44Å; N206-R209 PolarHBondContact O-N 2.94Å; D207-R209 PolarHBondContact O-N 2.79Å; R209-D213 WeakPolarHBondContact O-CA 3.1Å; R209-D213 PolarHBondContact O-N 3.34Å; R209-L214 WeakPolarHBondContact CA-O 3.28Å; R209-L214 PolarHBondContact N-O 2.82Å
210	A	91.9	Very high	94	Very high	76 Å²	76	59.4 Å²	59.4	63%	0.628	30%	0.296	S	S	*	.	I	π-helix	trans	-73.8	-35	-175.1	0	0	0	0	0	113.3	R183 N206	R183-A210 PolarHBondContact NH2-O 3.2Å; N206-A210 WeakPolarHBondContact O-CB 3.02Å; N206-A210 PolarHBondContact O-N 3.01Å
211	M	88.1	Confident	94	Very high	62 Å²	62	62.4 Å²	62.4	31%	0.305	31%	0.308	S	S	.	.	I	π-helix	trans	-95.5	-41.8	-175.2	-60.2	-180	63.2	0	0	112.4	I179 R183 D207	I179-M211 HydrophobicContact CG2-CB 3.53Å; I179-M211 HydrophobicContact CG2-CG 4.43Å; I179-M211 HydrophobicContact CG2-SD 4.3Å; R183-M211 PolarHBondContact NE-O 3.34Å; R183-M211 PolarHBondContact NH2-O 2.9Å; D207-M211 WeakPolarHBondContact O-CA 3.42Å; D207-M211 WeakPolarHBondContact O-CB 3.42Å; D207-M211 WeakPolarHBondContact O-CG 3.49Å; D207-M211 PolarHBondContact O-N 3.18Å
212	A	86	Confident	94	Very high	4 Å²	4	63.7 Å²	63.7	3%	0.033	32%	0.315	C	S	.	.	I	π-helix	trans	-108.5	-2.1	-173.8	0	0	0	0	0	114.2	I179 S188 F208 L214	I179-A212 HydrophobicContact CG2-CB 3.97Å; S188-A212 WeakPolarHBondContact CB-O 3.39Å; F208-A212 CarbonylContact O-C 3.55Å; F208-A212 WeakPolarHBondContact O-CA 3.33Å; F208-A212 PolarHBondContact O-N 2.62Å; A212-L214 HydrophobicContact CB-CB 4.26Å; A212-L214 HydrophobicContact CB-CD1 3.75Å; A212-L214 HydrophobicContact CB-CG 3.89Å; A212-L214 PolarHBondContact O-N 2.83Å
213	D	88.3	Confident	93.9	Very high	119 Å²	119	60 Å²	60	64%	0.636	31%	0.305	S	S	*	.			trans	53.5	40.4	-171	-162	36.7	0	0	0	111.4	S188 F208 R209	S188-D213 VanDerWaalsContact CB-O 3.3Å; S188-D213 WeakPolarHBondContact CB-O 3.35Å; F208-D213 PolarHBondContact O-N 3.41Å; R209-D213 WeakPolarHBondContact O-CA 3.1Å; R209-D213 PolarHBondContact O-N 3.34Å
214	L	87.8	Confident	94	Very high	9 Å²	9	52.7 Å²	52.7	5%	0.047	27%	0.273	C	S	.	.			trans	-116.3	131.6	-179.7	-71.2	175	0	0	0	110	F187 H191 F208 R209 A212	F187-L214 HydrophobicContact CB-CD1 3.96Å; F187-L214 HydrophobicContact CB-CD2 4.38Å; H191-L214 WeakPolarHBondContact O-CD2 3.4Å; F208-L214 CarbonylContact C-O 3.52Å; F208-L214 HydrophobicContact CD1-CB 4.26Å; F208-L214 HydrophobicContact CD1-CD1 4.21Å; F208-L214 PolarHBondContact O-N 2.91Å; R209-L214 WeakPolarHBondContact CA-O 3.28Å; R209-L214 PolarHBondContact N-O 2.82Å; A212-L214 HydrophobicContact CB-CB 4.26Å; A212-L214 HydrophobicContact CB-CD1 3.75Å; A212-L214 HydrophobicContact CB-CG 3.89Å; A212-L214 PolarHBondContact O-N 2.83Å
215	E	91.6	Very high	94	Very high	103 Å²	103	52.1 Å²	52.1	48%	0.481	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	139.6	169.9	-59.8	-165.5	151.6	0	0	110.3	T192 T193 L194	T192-E215 PolarHBondContact O-N 3.46Å; T193-E215 CarbonylContact C-O 3.53Å; T193-E215 VanDerWaalsContact CA-O 3.32Å; T193-E215 WeakPolarHBondContact CA-O 3.5Å; L194-E215 PolarHBondContact N-O 3.29Å
216	L	94	Very high	94	Very high	9 Å²	9	50.4 Å²	50.4	5%	0.047	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.1	171.9	-62.6	-171.9	0	0	0	109.6	I101 L194 A196 A201 F208 K218	I101-L216 HydrophobicContact CD1-CD1 4.47Å; L194-L216 HydrophobicContact CB-CD2 3.98Å; L194-L216 HydrophobicContact CD2-CD2 4.02Å; L194-L216 HydrophobicContact CG-CD2 4.33Å; L194-L216 WeakPolarHBondContact O-CA 3.32Å; A196-L216 HydrophobicContact CB-CB 4.4Å; A196-L216 HydrophobicContact CB-CD1 4.25Å; A196-L216 HydrophobicContact CB-CD2 4.09Å; A196-L216 HydrophobicContact CB-CG 4.49Å; A201-L216 WeakPolarHBondContact O-CD1 3.4Å; F208-L216 HydrophobicContact CB-CD1 4.41Å; F208-L216 HydrophobicContact CB-CD2 4.3Å; F208-L216 HydrophobicContact CB-CG 4.12Å; F208-L216 HydrophobicContact CD1-CD2 3.98Å; F208-L216 HydrophobicContact CD2-CD1 3.69Å; F208-L216 HydrophobicContact CD2-CD2 4.16Å; F208-L216 HydrophobicContact CD2-CG 4.18Å; F208-L216 HydrophobicContact CE1-CD2 4.3Å; F208-L216 HydrophobicContact CE2-CD1 4.15Å; F208-L216 HydrophobicContact CE2-CD2 4.47Å; F208-L216 HydrophobicContact CG-CD1 4.12Å; F208-L216 HydrophobicContact CG-CD2 3.89Å; F208-L216 HydrophobicContact CG-CG 4.08Å; L216-K218 HydrophobicContact CB-CG 4.31Å; L216-K218 PolarHBondContact O-N 3.49Å; L216-K218 VanDerWaalsContact O-N 3.12Å
217	L	95.2	Very high	94	Very high	65 Å²	65	47.7 Å²	47.7	34%	0.34	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	99.1	160.7	-179.1	64.1	0	0	0	107.2	T193 L194 A196 L219	T193-L217 HydrophobicContact CG2-CB 3.62Å; L194-L217 PolarHBondContact O-N 2.95Å; A196-L217 PolarHBondContact N-O 2.98Å; L217-L219 HydrophobicContact CD2-CD2 4.32Å; L217-L219 HydrophobicContact CG-CD2 4.07Å
218	K	97.4	Very high	94.1	Very high	64 Å²	64	44.4 Å²	44.4	28%	0.278	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	125.6	-177.5	-63.2	178.6	-65.1	-71.2	0	109.9	A196 A201 Y202 E205 L216	A196-K218 CarbonylContact O-C 3.37Å; A196-K218 WeakPolarHBondContact O-CA 3.48Å; A201-K218 HydrophobicContact CB-CG 4.23Å; Y202-K218 HydrophobicContact CD1-CD 3.74Å; Y202-K218 HydrophobicContact CD2-CD 4.5Å; Y202-K218 HydrophobicContact CE1-CD 3.89Å; Y202-K218 HydrophobicContact CG-CD 4.06Å; E205-K218 IonicContact OE1-NZ 3.29Å; E205-K218 PolarHBondContact OE1-NZ 2.83Å; E205-K218 WeakPolarHBondContact OE2-CD 3.41Å; E205-K218 VanDerWaalsContact OE2-CE 3.24Å; E205-K218 WeakPolarHBondContact OE2-CE 3.33Å; E205-K218 IonicContact OE2-NZ 3.75Å; E205-K218 PolarHBondContact OE2-NZ 2.89Å; L216-K218 HydrophobicContact CB-CG 4.31Å; L216-K218 PolarHBondContact O-N 3.49Å; L216-K218 VanDerWaalsContact O-N 3.12Å
219	L	97.8	Very high	94.2	Very high	23 Å²	23	44.4 Å²	44.4	12%	0.12	23%	0.227	C	C	.	.			trans	-118.7	155.7	-179.9	-55.3	173.3	0	0	0	110.1	C195 A196 T197 L217 C224 A445 E448	C195-L219 HydrophobicContact CB-CD1 4.14Å; A196-L219 PolarHBondContact O-N 2.8Å; T197-L219 PolarHBondContact OG1-O 3.24Å; T197-L219 VanDerWaalsContact OG1-O 3.09Å; L217-L219 HydrophobicContact CD2-CD2 4.32Å; L217-L219 HydrophobicContact CG-CD2 4.07Å; L219-C224 VanDerWaalsContact CB-SG 3.51Å; L219-A445 HydrophobicContact CD1-CB 3.98Å; L219-E448 HydrophobicContact CD1-CB 3.55Å; L219-E448 HydrophobicContact CD1-CG 3.86Å; L219-E448 HydrophobicContact CD2-CB 4.38Å; L219-E448 HydrophobicContact CD2-CG 3.74Å; L219-E448 HydrophobicContact CG-CG 4.46Å
220	D	97.6	Very high	94.3	Very high	77 Å²	77	41 Å²	41	41%	0.412	22%	0.216	S	C	.	.			trans	-68.4	140	175.4	-175.9	-89.9	0	0	0	111.3	T197 L222 D223 C224	T197-D220 PolarHBondContact OG1-O 3.42Å; D220-L222 WeakPolarHBondContact OD1-CA 3.46Å; D220-L222 WeakPolarHBondContact OD1-CB 3.43Å; D220-L222 PolarHBondContact OD1-N 3.4Å; D220-D223 HydrophobicContact CB-CB 4.02Å; D220-D223 PolarHBondContact OD1-N 2.87Å; D220-D223 VanDerWaalsContact OD1-N 3.07Å; D220-C224 WeakPolarHBondContact O-CB 3.42Å; D220-C224 PolarHBondContact O-N 3.05Å; D220-C224 PolarHBondContact O-SG 3.31Å; D220-C224 VanDerWaalsContact O-SG 3.38Å
221	E	96.6	Very high	94.4	Very high	68 Å²	68	39.2 Å²	39.2	32%	0.318	19%	0.194	S	C	.	.	H	α-helix	trans	-65.6	-42.8	-176.7	-171.8	-179.1	147.8	0	0	112.4	T197 L225	T197-E221 WeakPolarHBondContact OG1-CA 3.23Å; T197-E221 PolarHBondContact OG1-N 2.89Å; E221-L225 VanDerWaalsContact O-CB 3.24Å; E221-L225 WeakPolarHBondContact O-CB 3.33Å; E221-L225 PolarHBondContact O-N 3.09Å
222	L	95.3	Very high	94.8	Very high	26 Å²	26	36.2 Å²	36.2	14%	0.136	18%	0.179	C	C	.	.	H	α-helix	trans	-79.1	-37.6	-174.1	-58.8	-175	0	0	0	110.9	D220 L225 I226 L280 R290	D220-L222 WeakPolarHBondContact OD1-CA 3.46Å; D220-L222 WeakPolarHBondContact OD1-CB 3.43Å; D220-L222 PolarHBondContact OD1-N 3.4Å; L222-L225 HydrophobicContact CD2-CD2 4.41Å; L222-L225 WeakPolarHBondContact O-CB 3.34Å; L222-L225 PolarHBondContact O-N 3.12Å; L222-I226 WeakPolarHBondContact O-CG1 3.39Å; L222-I226 PolarHBondContact O-N 3Å; L222-L280 HydrophobicContact CB-CD2 4Å; L222-L280 HydrophobicContact CD1-CD2 4.02Å; L222-L280 HydrophobicContact CD2-CD1 4.25Å; L222-L280 HydrophobicContact CD2-CD2 4.24Å; L222-L280 HydrophobicContact CG-CD2 4.3Å; L222-R290 HydrophobicContact CD1-CB 4.19Å; L222-R290 HydrophobicContact CD1-CG 4.35Å
223	D	96.8	Very high	95.2	Very high	65 Å²	65	36.9 Å²	36.9	35%	0.348	18%	0.182	S	C	.	.	H	α-helix	trans	-62.4	-47.6	175.2	-64.9	14.8	0	0	0	110.9	D220 L225 I226 R227 Y288	D220-D223 HydrophobicContact CB-CB 4.02Å; D220-D223 PolarHBondContact OD1-N 2.87Å; D220-D223 VanDerWaalsContact OD1-N 3.07Å; D223-L225 VanDerWaalsContact C-N 3.34Å; D223-L225 PolarHBondContact O-N 2.81Å; D223-I226 PolarHBondContact O-N 2.9Å; D223-R227 WeakPolarHBondContact O-CB 3.42Å; D223-R227 PolarHBondContact O-N 3.09Å; D223-Y288 WeakPolarHBondContact CA-OH 3.4Å; D223-Y288 PolarHBondContact OD1-OH 2.79Å
224	C	98	Very high	95.4	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.014	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-42	175.4	-76.5	0	0	0	0	111.6	T197 L219 D220 R227 G228 G441 G444	T197-C224 HydrophobicContact CG2-CB 3.87Å; L219-C224 VanDerWaalsContact CB-SG 3.51Å; D220-C224 WeakPolarHBondContact O-CB 3.42Å; D220-C224 PolarHBondContact O-N 3.05Å; D220-C224 PolarHBondContact O-SG 3.31Å; D220-C224 VanDerWaalsContact O-SG 3.38Å; C224-R227 PolarHBondContact O-N 3.27Å; C224-G228 PolarHBondContact O-N 3.04Å; C224-G441 WeakPolarHBondContact CB-O 3.38Å; C224-G444 WeakPolarHBondContact O-CA 3.41Å
225	L	97.9	Very high	95.8	Very high	7 Å²	7	42 Å²	42	4%	0.037	20%	0.198	C	C	.	.	H	α-helix	trans	-56.6	-52.1	176.6	170.5	63.9	0	0	0	111.8	E221 L222 D223 L229 L270 N272 V403 F440	E221-L225 VanDerWaalsContact O-CB 3.24Å; E221-L225 WeakPolarHBondContact O-CB 3.33Å; E221-L225 PolarHBondContact O-N 3.09Å; L222-L225 HydrophobicContact CD2-CD2 4.41Å; L222-L225 WeakPolarHBondContact O-CB 3.34Å; L222-L225 PolarHBondContact O-N 3.12Å; D223-L225 VanDerWaalsContact C-N 3.34Å; D223-L225 PolarHBondContact O-N 2.81Å; L225-L229 VanDerWaalsContact O-CB 3.23Å; L225-L229 WeakPolarHBondContact O-CB 3.34Å; L225-L229 PolarHBondContact O-N 2.87Å; L225-L270 HydrophobicContact CD2-CD2 3.76Å; L225-L270 HydrophobicContact CG-CD2 3.91Å; L225-N272 HydrophobicContact CD2-CB 3.75Å; L225-V403 HydrophobicContact CD1-CG2 4.16Å; L225-F440 HydrophobicContact CD1-CB 3.73Å; L225-F440 HydrophobicContact CD1-CD2 4.22Å; L225-F440 HydrophobicContact CD1-CG 4.46Å
226	I	95.9	Very high	95.9	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-61.8	-48	-179.6	-66	-67.3	0	0	0	110.5	L222 D223 G228 L229 L230 L270 V282 Y288	L222-I226 WeakPolarHBondContact O-CG1 3.39Å; L222-I226 PolarHBondContact O-N 3Å; D223-I226 PolarHBondContact O-N 2.9Å; I226-G228 PolarHBondContact O-N 3.33Å; I226-L229 PolarHBondContact O-N 2.94Å; I226-L230 HydrophobicContact CG2-CD1 3.83Å; I226-L230 HydrophobicContact CG2-CG 4.41Å; I226-L230 VanDerWaalsContact O-CG 3.3Å; I226-L230 WeakPolarHBondContact O-CG 3.39Å; I226-L230 PolarHBondContact O-N 3.29Å; I226-L270 HydrophobicContact CD1-CD2 3.48Å; I226-L270 VanDerWaalsContact CD1-CD2 3.48Å; I226-V282 HydrophobicContact CD1-CB 4.41Å; I226-V282 HydrophobicContact CD1-CG1 4.02Å; I226-V282 HydrophobicContact CD1-CG2 3.46Å; I226-V282 VanDerWaalsContact CD1-CG2 3.46Å; I226-Y288 HydrophobicContact CG1-CD1 4.35Å; I226-Y288 HydrophobicContact CG1-CE1 4.42Å; I226-Y288 HydrophobicContact CG1-CG 4.43Å; I226-Y288 HydrophobicContact CG2-CD1 4.45Å; I226-Y288 HydrophobicContact CG2-CE1 4.37Å
227	R	95.7	Very high	96.1	Very high	57 Å²	57	39 Å²	39	22%	0.215	19%	0.186	C	C	.	.	H	α-helix	trans	-63	-46	-178	-171.9	-179.8	-62.1	156.7	-7.2	112.5	D223 C224 L230 F231 M447 E448	D223-R227 WeakPolarHBondContact O-CB 3.42Å; D223-R227 PolarHBondContact O-N 3.09Å; C224-R227 PolarHBondContact O-N 3.27Å; R227-L230 PolarHBondContact O-N 3.43Å; R227-F231 WeakPolarHBondContact O-CB 3.37Å; R227-F231 PolarHBondContact O-N 2.69Å; R227-M447 HydrophobicContact CG-CB 4.31Å; R227-M447 HydrophobicContact CG-CG 4.45Å; R227-E448 IonicContact CZ-OE2 2.74Å; R227-E448 IonicContact NH1-OE2 3.51Å; R227-E448 PolarHBondContact NH1-OE2 3.46Å; R227-E448 IonicContact NH2-OE2 3.43Å
228	G	96.9	Very high	96.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.3	-39.9	178.9	0	0	0	0	0	112.2	C224 I226 F231 I232 F440	C224-G228 PolarHBondContact O-N 3.04Å; I226-G228 PolarHBondContact O-N 3.33Å; G228-F231 PolarHBondContact O-N 3.33Å; G228-I232 VanDerWaalsContact O-CG1 3.28Å; G228-I232 WeakPolarHBondContact O-CG1 2.94Å; G228-I232 PolarHBondContact O-N 2.91Å; G228-F440 WeakPolarHBondContact CA-O 3.36Å
229	L	96.5	Very high	96	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-51.8	175.6	-178.3	160.4	0	0	0	111.4	L225 I226 F231 I232 D233 L262 M268 L270 V403 L434 F440	L225-L229 VanDerWaalsContact O-CB 3.23Å; L225-L229 WeakPolarHBondContact O-CB 3.34Å; L225-L229 PolarHBondContact O-N 2.87Å; I226-L229 PolarHBondContact O-N 2.94Å; L229-F231 VanDerWaalsContact C-N 3.29Å; L229-F231 PolarHBondContact O-N 2.8Å; L229-I232 PolarHBondContact O-N 2.83Å; L229-D233 PolarHBondContact O-N 2.82Å; L229-L262 HydrophobicContact CD2-CD2 3.64Å; L229-M268 HydrophobicContact CD2-CE 4.09Å; L229-L270 HydrophobicContact CD1-CD1 3.64Å; L229-L270 HydrophobicContact CD1-CD2 4.08Å; L229-V403 HydrophobicContact CD1-CG1 4.21Å; L229-L434 HydrophobicContact CD1-CD1 3.58Å; L229-L434 HydrophobicContact CD2-CD1 4.32Å; L229-L434 HydrophobicContact CG-CD1 3.61Å; L229-F440 VanDerWaalsContact CA-CD1 3.45Å; L229-F440 HydrophobicContact CB-CB 4.22Å; L229-F440 HydrophobicContact CB-CD1 4.07Å; L229-F440 HydrophobicContact CB-CD2 4.16Å; L229-F440 HydrophobicContact CB-CG 3.88Å; L229-F440 HydrophobicContact CD1-CD2 4.39Å; L229-F440 HydrophobicContact CD1-CE2 4.49Å; L229-F440 HydrophobicContact CG-CD2 4.42Å; L229-F440 HydrophobicContact CG-CE2 4.46Å
230	L	94.4	Very high	95.8	Very high	24 Å²	24	45.3 Å²	45.3	13%	0.126	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-34.7	-179.7	-66.5	174.9	0	0	0	112.2	I226 R227 R234 F266 E285	I226-L230 HydrophobicContact CG2-CD1 3.83Å; I226-L230 HydrophobicContact CG2-CG 4.41Å; I226-L230 VanDerWaalsContact O-CG 3.3Å; I226-L230 WeakPolarHBondContact O-CG 3.39Å; I226-L230 PolarHBondContact O-N 3.29Å; R227-L230 PolarHBondContact O-N 3.43Å; L230-R234 VanDerWaalsContact O-CB 3.28Å; L230-R234 WeakPolarHBondContact O-CB 3.33Å; L230-R234 PolarHBondContact O-N 2.8Å; L230-F266 HydrophobicContact CD1-CZ 4.08Å; L230-F266 HydrophobicContact CD2-CE1 4.38Å; L230-F266 HydrophobicContact CD2-CZ 4.02Å; L230-E285 HydrophobicContact CD1-CB 3.92Å; L230-E285 HydrophobicContact CD1-CG 3.76Å
231	F	95.1	Very high	95.7	Very high	38 Å²	38	44.1 Å²	44.1	17%	0.167	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-51.7	174.3	174.8	-96.2	0	0	0	111.5	L156 M158 R227 G228 L229 D233 R234 V235 V443 M447	L156-F231 HydrophobicContact CD2-CE1 4.3Å; L156-F231 HydrophobicContact CD2-CZ 4.25Å; M158-F231 HydrophobicContact CE-CE1 4.2Å; M158-F231 HydrophobicContact CE-CE2 4.42Å; M158-F231 HydrophobicContact CE-CZ 3.7Å; M158-F231 HydrophobicContact CG-CZ 4.07Å; M158-F231 HydrophobicContact SD-CE1 4.41Å; M158-F231 HydrophobicContact SD-CZ 3.89Å; R227-F231 WeakPolarHBondContact O-CB 3.37Å; R227-F231 PolarHBondContact O-N 2.69Å; G228-F231 PolarHBondContact O-N 3.33Å; L229-F231 VanDerWaalsContact C-N 3.29Å; L229-F231 PolarHBondContact O-N 2.8Å; F231-D233 PolarHBondContact O-N 2.81Å; F231-R234 PolarHBondContact O-N 3.08Å; F231-V235 HydrophobicContact CD2-CG1 4.42Å; F231-V235 HydrophobicContact CE1-CG1 4.3Å; F231-V235 HydrophobicContact CE1-CG2 4.31Å; F231-V235 HydrophobicContact CE2-CG1 3.97Å; F231-V235 HydrophobicContact CZ-CG1 3.91Å; F231-V235 WeakPolarHBondContact O-CG2 3.24Å; F231-V235 PolarHBondContact O-N 3.09Å; F231-V443 HydrophobicContact CD1-CG1 3.63Å; F231-V443 HydrophobicContact CE1-CG1 4.27Å; F231-V443 HydrophobicContact CG-CG1 4.42Å; F231-M447 HydrophobicContact CB-CG 4.46Å; F231-M447 HydrophobicContact CD1-CE 4.49Å; F231-M447 HydrophobicContact CD1-SD 4.23Å; F231-M447 HydrophobicContact CD2-SD 3.56Å; F231-M447 VanDerWaalsContact CD2-SD 3.56Å; F231-M447 HydrophobicContact CE1-CE 4.27Å; F231-M447 HydrophobicContact CE1-SD 4.37Å; F231-M447 HydrophobicContact CE2-CE 4.41Å; F231-M447 HydrophobicContact CE2-SD 3.72Å; F231-M447 HydrophobicContact CG-CG 4.33Å; F231-M447 HydrophobicContact CG-SD 3.83Å; F231-M447 HydrophobicContact CZ-CE 4.23Å; F231-M447 HydrophobicContact CZ-SD 4.13Å
232	I	96.3	Very high	95.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.3	-42.8	-177.3	-63.4	-69.6	0	0	0	111.2	L153 L165 F167 G228 L229 R234 V235 G236 E242 H436 F440 V443	L153-I232 HydrophobicContact CD1-CD1 3.6Å; L165-I232 HydrophobicContact CD2-CD1 4.23Å; F167-I232 HydrophobicContact CZ-CD1 4.25Å; G228-I232 VanDerWaalsContact O-CG1 3.28Å; G228-I232 WeakPolarHBondContact O-CG1 2.94Å; G228-I232 PolarHBondContact O-N 2.91Å; L229-I232 PolarHBondContact O-N 2.83Å; I232-R234 VanDerWaalsContact C-N 3.3Å; I232-R234 PolarHBondContact O-N 3.47Å; I232-V235 WeakPolarHBondContact O-CG2 3.49Å; I232-V235 PolarHBondContact O-N 2.81Å; I232-G236 WeakPolarHBondContact O-CA 3.37Å; I232-G236 PolarHBondContact O-N 3.46Å; I232-E242 HydrophobicContact CG2-CB 4.5Å; I232-E242 HydrophobicContact CG2-CG 3.82Å; I232-H436 HydrophobicContact CG2-CB 4.3Å; I232-F440 HydrophobicContact CB-CD1 4.28Å; I232-F440 HydrophobicContact CB-CE1 3.88Å; I232-F440 HydrophobicContact CG1-CD1 4.1Å; I232-F440 HydrophobicContact CG1-CE1 4.1Å; I232-F440 HydrophobicContact CG2-CE1 4.07Å; I232-V443 HydrophobicContact CD1-CG1 4.06Å; I232-V443 HydrophobicContact CD1-CG2 3.97Å; I232-V443 HydrophobicContact CG1-CB 4.46Å; I232-V443 HydrophobicContact CG1-CG1 4.03Å; I232-V443 HydrophobicContact CG1-CG2 4.07Å
233	D	94.8	Very high	95.8	Very high	17 Å²	17	39.6 Å²	39.6	9%	0.091	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-38.9	176.2	-178.1	73.8	0	0	0	112.4	L229 F231 G236 E242 L262	L229-D233 PolarHBondContact O-N 2.82Å; F231-D233 PolarHBondContact O-N 2.81Å; D233-G236 PolarHBondContact O-N 2.81Å; D233-E242 HydrophobicContact CB-CB 4.43Å; D233-L262 HydrophobicContact CB-CB 4.35Å; D233-L262 VanDerWaalsContact OD1-CB 3.26Å; D233-L262 WeakPolarHBondContact OD1-CB 3.48Å; D233-L262 PolarHBondContact OD1-N 2.9Å; D233-L262 WeakPolarHBondContact OD2-CB 3.35Å
234	R	92.9	Very high	95.8	Very high	180 Å²	180	37.4 Å²	37.4	68%	0.679	20%	0.2	S	C	*	.	H	α-helix	trans	-65.5	-42.5	178.7	-174.7	-175.2	-59.5	174.3	2.8	112.7	L230 F231 I232 G236	L230-R234 VanDerWaalsContact O-CB 3.28Å; L230-R234 WeakPolarHBondContact O-CB 3.33Å; L230-R234 PolarHBondContact O-N 2.8Å; F231-R234 PolarHBondContact O-N 3.08Å; I232-R234 VanDerWaalsContact C-N 3.3Å; I232-R234 PolarHBondContact O-N 3.47Å; R234-G236 VanDerWaalsContact C-N 3.31Å
235	V	94.4	Very high	95.7	Very high	57 Å²	57	39.6 Å²	39.6	35%	0.345	21%	0.208	S	C	.	.	H	α-helix	trans	-79.4	-20.4	179	-56.3	0	0	0	0	111.9	L153 L156 F231 I232	L153-V235 HydrophobicContact CD1-CG2 4Å; L156-V235 HydrophobicContact CD1-CB 3.86Å; L156-V235 HydrophobicContact CD1-CG1 3.92Å; L156-V235 HydrophobicContact CD1-CG2 4.14Å; F231-V235 HydrophobicContact CD2-CG1 4.42Å; F231-V235 HydrophobicContact CE1-CG1 4.3Å; F231-V235 HydrophobicContact CE1-CG2 4.31Å; F231-V235 HydrophobicContact CE2-CG1 3.97Å; F231-V235 HydrophobicContact CZ-CG1 3.91Å; F231-V235 WeakPolarHBondContact O-CG2 3.24Å; F231-V235 PolarHBondContact O-N 3.09Å; I232-V235 WeakPolarHBondContact O-CG2 3.49Å; I232-V235 PolarHBondContact O-N 2.81Å
236	G	94.9	Very high	95.6	Very high	11 Å²	11	40.4 Å²	40.4	11%	0.113	21%	0.211	C	C	.	.			trans	68.4	-173.2	-176.7	0	0	0	0	0	112.6	I232 D233 R234	I232-G236 WeakPolarHBondContact O-CA 3.37Å; I232-G236 PolarHBondContact O-N 3.46Å; D233-G236 PolarHBondContact O-N 2.81Å; R234-G236 VanDerWaalsContact C-N 3.31Å
237	F	97	Very high	95.5	Very high	37 Å²	37	44 Å²	44	16%	0.162	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-115.3	89.5	-178.2	179.7	-152.4	0	0	0	110.7	H150 L153 G239 H240 E435 H436	H150-F237 VanDerWaalsContact O-CZ 3.25Å; H150-F237 WeakPolarHBondContact O-CZ 3.43Å; L153-F237 HydrophobicContact CD2-CD2 3.71Å; L153-F237 HydrophobicContact CD2-CE2 4.49Å; F237-G239 PolarHBondContact O-N 3.16Å; F237-G239 VanDerWaalsContact O-N 3.15Å; F237-H240 PolarHBondContact N-O 2.78Å; F237-H240 WeakPolarHBondContact O-CB 3.16Å; F237-H240 PolarHBondContact O-N 3.25Å; F237-E435 HydrophobicContact CD1-CB 4.11Å; F237-E435 HydrophobicContact CD1-CG 3.9Å; F237-E435 HydrophobicContact CE1-CB 4.3Å; F237-E435 HydrophobicContact CE1-CG 4.27Å; F237-H436 AromaticContact CD2-CE1 3.68Å; F237-H436 AromaticContact CG-CE1 3.88Å
238	N	96.9	Very high	95.3	Very high	72 Å²	72	45.2 Å²	45.2	39%	0.385	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	40.1	177.2	-61.8	-42.6	0	0	0	114	E152 R154	E152-N238 PolarHBondContact O-ND2 2.89Å; R154-N238 PolarHBondContact N-OD1 3.5Å
239	G	93.5	Very high	95	Very high	82 Å²	82	46.2 Å²	46.2	85%	0.845	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.9	-1.6	-177.2	0	0	0	0	0	114.9	F237	F237-G239 PolarHBondContact O-N 3.16Å; F237-G239 VanDerWaalsContact O-N 3.15Å
240	H	94.7	Very high	94.3	Very high	131 Å²	131	48.6 Å²	48.6	61%	0.606	26%	0.262	S	S	*	.	B	Isolated β-bridge	trans	-105.5	153	172.9	-57.5	-73.5	0	0	0	111.4	F237	F237-H240 PolarHBondContact N-O 2.78Å; F237-H240 WeakPolarHBondContact O-CB 3.16Å; F237-H240 PolarHBondContact O-N 3.25Å
241	P	95.5	Very high	93.9	Very high	51 Å²	51	50.5 Å²	50.5	33%	0.331	27%	0.272	S	S	.	.			trans	-61.8	139.2	171	-24.4	36.7	0	0	0	111.6	P259 C260	P241-P259 HydrophobicContact CB-CB 4.19Å; P241-P259 HydrophobicContact CG-CB 3.98Å; P241-C260 WeakPolarHBondContact CB-O 3.34Å
242	E	96.6	Very high	93.1	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.299	C	S	.	.	S	Bend	trans	-69.5	-36.4	175.4	172	59.6	-168.5	0	0	111.9	I232 D233 L434 E435 H436	I232-E242 HydrophobicContact CG2-CB 4.5Å; I232-E242 HydrophobicContact CG2-CG 3.82Å; D233-E242 HydrophobicContact CB-CB 4.43Å; E242-L434 HydrophobicContact CG-CB 4.22Å; E242-L434 HydrophobicContact CG-CD2 3.72Å; E242-L434 WeakPolarHBondContact O-CA 3.39Å; E242-E435 PolarHBondContact O-N 3.23Å; E242-E435 PolarHBondContact OE1-N 2.86Å; E242-E435 VanDerWaalsContact OE1-N 3.08Å; E242-H436 WeakPolarHBondContact OE1-CB 3.48Å; E242-H436 IonicContact OE1-CG 3.62Å; E242-H436 PolarHBondContact OE1-N 3.15Å; E242-H436 IonicContact OE1-ND1 3.91Å; E242-H436 PolarHBondContact OE1-ND1 2.86Å; E242-H436 VanDerWaalsContact OE1-ND1 3.09Å; E242-H436 IonicContact OE2-CE1 2.85Å; E242-H436 PolarHBondContact OE2-CE1 3.3Å; E242-H436 IonicContact OE2-CG 2.85Å; E242-H436 IonicContact OE2-ND1 3.62Å; E242-H436 PolarHBondContact OE2-ND1 3.04Å
243	C	96.8	Very high	92.6	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	146.1	-176.3	-170.4	0	0	0	0	112.6	C260 L262 F433 L434	C243-C260 CarbonylContact C-O 3.5Å; C243-C260 WeakPolarHBondContact CB-O 3.45Å; C243-C260 PolarHBondContact O-N 2.97Å; C243-C260 PolarHBondContact SG-SG 3.07Å; C243-L262 HydrophobicContact CB-CB 4.34Å; C243-L262 HydrophobicContact CB-CD1 3.87Å; C243-L262 WeakPolarHBondContact SG-CD1 3.4Å; C243-F433 VanDerWaalsContact CA-O 3.32Å; C243-F433 WeakPolarHBondContact CA-O 3.45Å; C243-F433 PolarHBondContact SG-O 3.01Å; C243-L434 HydrophobicContact CB-CD2 3.53Å
244	Y	96.8	Very high	92.4	Very high	19 Å²	19	64 Å²	64	8%	0.075	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	163.6	173.1	68.1	-91.1	0	0	0	111.9	F246 K257 K258 T414 F433 E435	Y244-F246 AromaticContact CE2-CE2 3.97Å; Y244-F246 HydrophobicContact CE2-CE2 3.97Å; Y244-F246 HydrophobicContact CE2-CZ 4.42Å; Y244-K257 HydrophobicContact CD2-CD 3.93Å; Y244-K257 VanDerWaalsContact CD2-CE 3.49Å; Y244-K257 HydrophobicContact CD2-CG 3.69Å; Y244-K257 HydrophobicContact CE2-CD 4.16Å; Y244-K257 HydrophobicContact CE2-CG 4.3Å; Y244-K257 HydrophobicContact CG-CD 4.25Å; Y244-K257 HydrophobicContact CG-CG 4.11Å; Y244-K258 CarbonylContact C-O 3.59Å; Y244-K258 VanDerWaalsContact CA-O 3.24Å; Y244-K258 WeakPolarHBondContact CA-O 3.31Å; Y244-K258 WeakPolarHBondContact CB-O 3.35Å; Y244-T414 HydrophobicContact CE2-CG2 4.31Å; Y244-F433 HydrophobicContact CD1-CB 4.2Å; Y244-F433 HydrophobicContact CD2-CB 4.04Å; Y244-F433 HydrophobicContact CD2-CD2 4.24Å; Y244-F433 HydrophobicContact CE1-CB 3.69Å; Y244-F433 HydrophobicContact CE2-CB 3.53Å; Y244-F433 AromaticContact CE2-CD2 3.9Å; Y244-F433 HydrophobicContact CE2-CD2 3.9Å; Y244-F433 AromaticContact CE2-CG 4Å; Y244-F433 HydrophobicContact CE2-CG 4Å; Y244-F433 HydrophobicContact CG-CB 4.36Å; Y244-F433 PolarHBondContact N-O 3.31Å; Y244-F433 PolarHBondContact O-N 2.87Å; Y244-E435 HydrophobicContact CD1-CG 4.35Å; Y244-E435 HydrophobicContact CE1-CG 4.45Å
245	Y	96.3	Very high	92.3	Very high	48 Å²	48	56.3 Å²	56.3	19%	0.188	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	166.6	171.4	71.3	-78	0	0	0	110.2	Q247 K258 C260 A431	Y245-Q247 HydrophobicContact CE2-CB 4Å; Y245-K258 HydrophobicContact CD1-CB 4.09Å; Y245-K258 WeakPolarHBondContact CD1-O 3.43Å; Y245-K258 HydrophobicContact CE1-CB 3.57Å; Y245-K258 HydrophobicContact CE2-CB 4.31Å; Y245-K258 PolarHBondContact N-O 2.59Å; Y245-K258 PolarHBondContact O-N 3.48Å; Y245-C260 HydrophobicContact CD1-CB 4.02Å; Y245-C260 HydrophobicContact CE1-CB 4.19Å; Y245-A431 WeakPolarHBondContact CB-O 3.4Å
246	F	96.2	Very high	92.3	Very high	23 Å²	23	56.9 Å²	56.9	10%	0.101	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	118.7	169.1	-74.4	-81.6	0	0	0	109.6	Y244 P249 V256 K257 T414 K415 A418 F433	Y244-F246 AromaticContact CE2-CE2 3.97Å; Y244-F246 HydrophobicContact CE2-CE2 3.97Å; Y244-F246 HydrophobicContact CE2-CZ 4.42Å; F246-P249 HydrophobicContact CB-CB 4.24Å; F246-V256 WeakPolarHBondContact CA-O 3.47Å; F246-K257 HydrophobicContact CD1-CB 4.36Å; F246-K257 HydrophobicContact CE1-CB 3.94Å; F246-K257 HydrophobicContact CZ-CB 4.46Å; F246-T414 HydrophobicContact CD2-CG2 4.35Å; F246-T414 HydrophobicContact CE2-CG2 3.61Å; F246-K415 HydrophobicContact CD1-CG 4.31Å; F246-K415 HydrophobicContact CD2-CG 4.46Å; F246-K415 HydrophobicContact CE1-CG 4.07Å; F246-K415 HydrophobicContact CE2-CG 4.24Å; F246-K415 HydrophobicContact CZ-CG 4.03Å; F246-A418 HydrophobicContact CB-CB 4.02Å; F246-A418 HydrophobicContact CD2-CB 4.22Å; F246-F433 HydrophobicContact CD2-CD2 4.35Å; F246-F433 HydrophobicContact CD2-CE2 4.03Å; F246-F433 HydrophobicContact CE2-CE2 4.45Å
247	Q	93.9	Very high	92.4	Very high	78 Å²	78	60.7 Å²	60.7	36%	0.364	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	137.3	168.8	-175.3	173.3	27.9	0	0	108.9	Y245 C255 V256 K258	Y245-Q247 HydrophobicContact CE2-CB 4Å; Q247-C255 VanDerWaalsContact O-CA 3.32Å; Q247-C255 WeakPolarHBondContact O-CA 3.42Å; Q247-V256 PolarHBondContact N-O 2.83Å; Q247-V256 PolarHBondContact O-N 3.04Å; Q247-V256 VanDerWaalsContact O-N 3.13Å; Q247-K258 HydrophobicContact CB-CG 3.95Å
248	N	91.1	Very high	92.3	Very high	82 Å²	82	62.9 Å²	62.9	44%	0.439	35%	0.349	S	S	.	.	S	Bend	trans	52.6	52.6	-178.5	-51.4	-24.8	0	0	0	113.7	S250 D251 S254	N248-S250 PolarHBondContact O-N 3.44Å; N248-S250 VanDerWaalsContact O-N 3.12Å; N248-D251 PolarHBondContact O-N 2.93Å; N248-D251 VanDerWaalsContact O-N 3.12Å; N248-S254 WeakPolarHBondContact CB-OG 3.34Å; N248-S254 PolarHBondContact ND2-OG 2.72Å
249	P	90	Very high	92.3	Very high	20 Å²	20	63.6 Å²	63.6	13%	0.13	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.4	-175.9	31.4	-36.4	0	0	0	113.2	F246 A418 D422	F246-P249 HydrophobicContact CB-CB 4.24Å; P249-A418 HydrophobicContact CB-CB 3.66Å; P249-A418 HydrophobicContact CG-CB 4.2Å; P249-D422 HydrophobicContact CG-CB 3.7Å
250	S	83	Confident	92.2	Very high	50 Å²	50	61 Å²	61	35%	0.35	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-13.7	176.7	-60.6	0	0	0	0	114.9	N248 Y419 D422	N248-S250 PolarHBondContact O-N 3.44Å; N248-S250 VanDerWaalsContact O-N 3.12Å; S250-Y419 WeakPolarHBondContact OG-CD2 3.23Å; S250-D422 PolarHBondContact OG-OD2 2.89Å
251	D	85.8	Confident	91.6	Very high	64 Å²	64	60.1 Å²	60.1	34%	0.342	33%	0.326	S	S	.	.			trans	-116.3	107.6	175.2	172.2	15.2	0	0	0	110.2	N248 H253 S254 C255	N248-D251 PolarHBondContact O-N 2.93Å; N248-D251 VanDerWaalsContact O-N 3.12Å; D251-H253 PolarHBondContact O-N 3.46Å; D251-H253 VanDerWaalsContact O-N 3.09Å; D251-H253 IonicContact OD1-CD2 2.74Å; D251-H253 PolarHBondContact OD1-N 2.92Å; D251-S254 WeakPolarHBondContact CB-OG 3.43Å; D251-S254 VanDerWaalsContact CG-OG 3.25Å; D251-S254 PolarHBondContact O-N 3.1Å; D251-S254 VanDerWaalsContact O-N 3.15Å; D251-S254 VanDerWaalsContact OD2-CB 3.25Å; D251-S254 WeakPolarHBondContact OD2-CB 3.37Å; D251-S254 PolarHBondContact OD2-N 3.39Å; D251-S254 PolarHBondContact OD2-OG 2.96Å; D251-C255 VanDerWaalsContact O-CB 3.28Å; D251-C255 WeakPolarHBondContact O-CB 3.4Å; D251-C255 PolarHBondContact O-N 3Å
252	P	78.6	Confident	91	Very high	113 Å²	113	58.5 Å²	58.5	73%	0.734	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.1	179.5	-26.4	35.2	0	0	0	114.7
253	H	84.9	Confident	89.4	Confident	187 Å²	187	59.8 Å²	59.8	87%	0.866	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-25.2	-178.3	-65.6	-68.5	0	0	0	113.5	D251	D251-H253 PolarHBondContact O-N 3.46Å; D251-H253 VanDerWaalsContact O-N 3.09Å; D251-H253 IonicContact OD1-CD2 2.74Å; D251-H253 PolarHBondContact OD1-N 2.92Å
254	S	90.1	Very high	87.8	Confident	38 Å²	38	67.6 Å²	67.6	27%	0.266	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	5.4	179.1	69.5	0	0	0	0	114.3	N248 D251 V256	N248-S254 WeakPolarHBondContact CB-OG 3.34Å; N248-S254 PolarHBondContact ND2-OG 2.72Å; D251-S254 WeakPolarHBondContact CB-OG 3.43Å; D251-S254 VanDerWaalsContact CG-OG 3.25Å; D251-S254 PolarHBondContact O-N 3.1Å; D251-S254 VanDerWaalsContact O-N 3.15Å; D251-S254 VanDerWaalsContact OD2-CB 3.25Å; D251-S254 WeakPolarHBondContact OD2-CB 3.37Å; D251-S254 PolarHBondContact OD2-N 3.39Å; D251-S254 PolarHBondContact OD2-OG 2.96Å; S254-V256 WeakPolarHBondContact O-CG2 3.32Å; S254-V256 PolarHBondContact O-N 3.26Å; S254-V256 VanDerWaalsContact O-N 3.15Å
255	C	91.8	Very high	86.5	Confident	20 Å²	20	71.4 Å²	71.4	14%	0.135	39%	0.388	C	S	.	.			trans	-67.8	105.4	176.9	-178.9	0	0	0	0	111.6	Q247 D251	Q247-C255 VanDerWaalsContact O-CA 3.32Å; Q247-C255 WeakPolarHBondContact O-CA 3.42Å; D251-C255 VanDerWaalsContact O-CB 3.28Å; D251-C255 WeakPolarHBondContact O-CB 3.4Å; D251-C255 PolarHBondContact O-N 3Å
256	V	94.3	Very high	86.2	Confident	69 Å²	69	72.1 Å²	72.1	42%	0.418	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133	-174.3	177.3	0	0	0	0	111	F246 Q247 S254 K258	F246-V256 WeakPolarHBondContact CA-O 3.47Å; Q247-V256 PolarHBondContact N-O 2.83Å; Q247-V256 PolarHBondContact O-N 3.04Å; Q247-V256 VanDerWaalsContact O-N 3.13Å; S254-V256 WeakPolarHBondContact O-CG2 3.32Å; S254-V256 PolarHBondContact O-N 3.26Å; S254-V256 VanDerWaalsContact O-N 3.15Å; V256-K258 HydrophobicContact CG1-CD 4.43Å; V256-K258 PolarHBondContact O-N 3.16Å
257	K	95.8	Very high	86.2	Confident	91 Å²	91	73.2 Å²	73.2	40%	0.396	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	124.7	171	-178	175.5	178	175.6	0	109.4	Y244 F246 E435	Y244-K257 HydrophobicContact CD2-CD 3.93Å; Y244-K257 VanDerWaalsContact CD2-CE 3.49Å; Y244-K257 HydrophobicContact CD2-CG 3.69Å; Y244-K257 HydrophobicContact CE2-CD 4.16Å; Y244-K257 HydrophobicContact CE2-CG 4.3Å; Y244-K257 HydrophobicContact CG-CD 4.25Å; Y244-K257 HydrophobicContact CG-CG 4.11Å; F246-K257 HydrophobicContact CD1-CB 4.36Å; F246-K257 HydrophobicContact CE1-CB 3.94Å; F246-K257 HydrophobicContact CZ-CB 4.46Å; K257-E435 WeakPolarHBondContact CE-OE1 3.34Å; K257-E435 IonicContact NZ-OE1 2.99Å; K257-E435 PolarHBondContact NZ-OE1 3.19Å; K257-E435 IonicContact NZ-OE2 3.61Å; K257-E435 PolarHBondContact NZ-OE2 3.17Å
258	K	96	Very high	86.3	Confident	82 Å²	82	69.8 Å²	69.8	36%	0.357	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.1	178.2	-70.4	-65.1	-172.6	178.9	0	110.2	Y244 Y245 Q247 V256	Y244-K258 CarbonylContact C-O 3.59Å; Y244-K258 VanDerWaalsContact CA-O 3.24Å; Y244-K258 WeakPolarHBondContact CA-O 3.31Å; Y244-K258 WeakPolarHBondContact CB-O 3.35Å; Y245-K258 HydrophobicContact CD1-CB 4.09Å; Y245-K258 WeakPolarHBondContact CD1-O 3.43Å; Y245-K258 HydrophobicContact CE1-CB 3.57Å; Y245-K258 HydrophobicContact CE2-CB 4.31Å; Y245-K258 PolarHBondContact N-O 2.59Å; Y245-K258 PolarHBondContact O-N 3.48Å; Q247-K258 HydrophobicContact CB-CG 3.95Å; V256-K258 HydrophobicContact CG1-CD 4.43Å; V256-K258 PolarHBondContact O-N 3.16Å
259	P	95.6	Very high	86.6	Confident	87 Å²	87	65.9 Å²	65.9	57%	0.565	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	148.4	173.5	30.6	-34.6	0	0	0	110.2	P241	P241-P259 HydrophobicContact CB-CB 4.19Å; P241-P259 HydrophobicContact CG-CB 3.98Å
260	C	91.6	Very high	87	Confident	29 Å²	29	65 Å²	65	20%	0.196	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	153.3	171.9	56.5	0	0	0	0	110.1	P241 C243 Y245	P241-C260 WeakPolarHBondContact CB-O 3.34Å; C243-C260 CarbonylContact C-O 3.5Å; C243-C260 WeakPolarHBondContact CB-O 3.45Å; C243-C260 PolarHBondContact O-N 2.97Å; C243-C260 PolarHBondContact SG-SG 3.07Å; Y245-C260 HydrophobicContact CD1-CB 4.02Å; Y245-C260 HydrophobicContact CE1-CB 4.19Å
261	N	83.4	Confident	87.8	Confident	112 Å²	112	62.6 Å²	62.6	60%	0.599	34%	0.342	S	S	*	.			trans	-86.6	132.3	171.6	-169.5	-84.3	0	0	0	108.4	G263	N261-G263 WeakPolarHBondContact OD1-CA 3Å; N261-G263 PolarHBondContact OD1-N 2.74Å
262	L	82	Confident	88.4	Confident	16 Å²	16	60.6 Å²	60.6	8%	0.084	33%	0.331	C	S	.	.			trans	-66.7	-44.1	174.9	-147.4	81.5	0	0	0	109.2	L229 D233 C243 H265 M268 V401 L432 L434	L229-L262 HydrophobicContact CD2-CD2 3.64Å; D233-L262 HydrophobicContact CB-CB 4.35Å; D233-L262 VanDerWaalsContact OD1-CB 3.26Å; D233-L262 WeakPolarHBondContact OD1-CB 3.48Å; D233-L262 PolarHBondContact OD1-N 2.9Å; D233-L262 WeakPolarHBondContact OD2-CB 3.35Å; C243-L262 HydrophobicContact CB-CB 4.34Å; C243-L262 HydrophobicContact CB-CD1 3.87Å; C243-L262 WeakPolarHBondContact SG-CD1 3.4Å; L262-H265 WeakPolarHBondContact O-CB 3.41Å; L262-H265 PolarHBondContact O-ND1 2.86Å; L262-M268 HydrophobicContact CD2-SD 3.91Å; L262-V401 HydrophobicContact CD1-CG2 4.04Å; L262-L432 HydrophobicContact CD1-CD1 4.09Å; L262-L434 HydrophobicContact CD1-CD2 4.39Å
263	G	63.3	Low	89.3	Confident	27 Å²	27	55.2 Å²	55.2	28%	0.278	30%	0.296	S	S	.	.			trans	65.4	-177.7	169.9	0	0	0	0	0	114.2	N261 H265	N261-G263 WeakPolarHBondContact OD1-CA 3Å; N261-G263 PolarHBondContact OD1-N 2.74Å; G263-H265 PolarHBondContact O-N 3.02Å
264	N	63.5	Low	89.8	Confident	164 Å²	164	47.7 Å²	47.7	88%	0.877	27%	0.27	S	S	*	.	S	Bend	trans	-67.2	46.7	176.7	-77.4	-19.5	0	0	0	113.3
265	H	69.6	Low	90	Very high	100 Å²	100	48 Å²	48	46%	0.463	27%	0.272	S	S	.	.			trans	-114.5	53.3	-162.5	-75.9	123.6	0	0	0	111.3	L262 G263 R399	L262-H265 WeakPolarHBondContact O-CB 3.41Å; L262-H265 PolarHBondContact O-ND1 2.86Å; G263-H265 PolarHBondContact O-N 3.02Å; H265-R399 PolarHBondContact CD2-NH1 3.41Å; H265-R399 PolarHBondContact O-NE 3.26Å; H265-R399 PolarHBondContact O-NH2 3.49Å
266	F	90.1	Very high	90.2	Very high	62 Å²	62	48.5 Å²	48.5	27%	0.272	28%	0.281	S	S	.	.			trans	-68.5	151.8	153.3	-53.9	-71.3	0	0	0	109.6	L230 M268 V282 Y283 S284 E285 R399	L230-F266 HydrophobicContact CD1-CZ 4.08Å; L230-F266 HydrophobicContact CD2-CE1 4.38Å; L230-F266 HydrophobicContact CD2-CZ 4.02Å; F266-M268 HydrophobicContact CE1-CE 4.39Å; F266-V282 HydrophobicContact CD1-CB 4.46Å; F266-V282 HydrophobicContact CD1-CG1 3.8Å; F266-V282 HydrophobicContact CE1-CG1 3.56Å; F266-Y283 WeakPolarHBondContact CB-O 3.36Å; F266-Y283 WeakPolarHBondContact CG-O 3.49Å; F266-S284 VanDerWaalsContact CZ-C 3.5Å; F266-E285 HydrophobicContact CZ-CB 4.38Å; F266-E285 VanDerWaalsContact CZ-N 3.27Å; F266-R399 PolarHBondContact O-NH2 2.89Å; F266-R399 VanDerWaalsContact O-NH2 3.08Å
267	P	95.1	Very high	90.4	Very high	47 Å²	47	45.5 Å²	45.5	31%	0.305	26%	0.262	S	S	.	.			cis	-78	153.7	-7.1	34.3	-35.6	0	0	0	112.8	V282 Y283 I397 R399	P267-V282 CarbonylContact C-O 3.59Å; P267-V282 WeakPolarHBondContact CA-O 3.31Å; P267-Y283 HydrophobicContact CB-CD1 4Å; P267-I397 HydrophobicContact CB-CD1 3.93Å; P267-I397 HydrophobicContact CB-CG1 3.93Å; P267-I397 HydrophobicContact CG-CG1 4.04Å; P267-R399 PolarHBondContact O-NE 2.95Å; P267-R399 PolarHBondContact O-NH2 3.31Å
268	M	96.4	Very high	90.5	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.03	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147.8	168.8	65.7	177.2	178.7	0	0	110.5	L229 L262 F266 V282 V401	L229-M268 HydrophobicContact CD2-CE 4.09Å; L262-M268 HydrophobicContact CD2-SD 3.91Å; F266-M268 HydrophobicContact CE1-CE 4.39Å; M268-V282 HydrophobicContact CE-CB 4.13Å; M268-V282 HydrophobicContact CE-CG1 3.99Å; M268-V282 HydrophobicContact CE-CG2 4.22Å; M268-V282 HydrophobicContact CG-CB 3.87Å; M268-V282 HydrophobicContact CG-CG2 4.3Å; M268-V282 PolarHBondContact N-O 3.42Å; M268-V282 PolarHBondContact O-N 2.88Å; M268-V401 HydrophobicContact CB-CG2 4.28Å; M268-V401 HydrophobicContact SD-CG2 3.86Å
269	L	98.1	Very high	90.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	113.3	170.8	-164.6	82.8	0	0	0	107.3	V271 I279 L280 A281 A388 C391 A392 I397 R399 V400 V401	L269-V271 HydrophobicContact CD2-CG2 4.26Å; L269-I279 HydrophobicContact CD1-CG2 3.88Å; L269-I279 HydrophobicContact CD2-CG2 3.86Å; L269-I279 HydrophobicContact CG-CG2 3.88Å; L269-L280 CarbonylContact C-O 3.56Å; L269-L280 VanDerWaalsContact CA-O 3.31Å; L269-L280 WeakPolarHBondContact CA-O 3.49Å; L269-L280 WeakPolarHBondContact CD1-O 3.47Å; L269-A281 HydrophobicContact CD1-CB 4.38Å; L269-A388 WeakPolarHBondContact CD2-O 3.28Å; L269-C391 HydrophobicContact CD1-CB 4.28Å; L269-C391 HydrophobicContact CD2-CB 3.83Å; L269-A392 HydrophobicContact CD2-CB 4Å; L269-I397 HydrophobicContact CB-CG2 4.17Å; L269-I397 HydrophobicContact CD1-CD1 4.44Å; L269-R399 PolarHBondContact N-O 2.93Å; L269-V400 HydrophobicContact CB-CG2 4.42Å; L269-V400 HydrophobicContact CD2-CG1 4.24Å; L269-V400 HydrophobicContact CD2-CG2 4.43Å; L269-V400 CarbonylContact O-C 3.57Å; L269-V400 WeakPolarHBondContact O-CA 3.4Å; L269-V401 PolarHBondContact O-N 2.93Å
270	L	98.3	Very high	90.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.7	178.3	-177.9	63.4	0	0	0	109.7	L225 I226 L229 I279 L280 V282 V401 V403	L225-L270 HydrophobicContact CD2-CD2 3.76Å; L225-L270 HydrophobicContact CG-CD2 3.91Å; I226-L270 HydrophobicContact CD1-CD2 3.48Å; I226-L270 VanDerWaalsContact CD1-CD2 3.48Å; L229-L270 HydrophobicContact CD1-CD1 3.64Å; L229-L270 HydrophobicContact CD1-CD2 4.08Å; L270-I279 CarbonylContact O-C 3.18Å; L270-I279 WeakPolarHBondContact O-CA 3.47Å; L270-L280 HydrophobicContact CB-CB 4.33Å; L270-L280 HydrophobicContact CB-CD1 4.42Å; L270-L280 HydrophobicContact CD2-CD1 4.46Å; L270-L280 HydrophobicContact CG-CD1 4.45Å; L270-L280 PolarHBondContact N-O 3.4Å; L270-L280 PolarHBondContact O-N 3.32Å; L270-V282 HydrophobicContact CB-CG2 4.07Å; L270-V401 WeakPolarHBondContact CA-O 3.28Å; L270-V401 HydrophobicContact CD1-CB 3.97Å; L270-V401 HydrophobicContact CD1-CG1 3.93Å; L270-V403 HydrophobicContact CD1-CB 4.47Å; L270-V403 HydrophobicContact CD1-CG1 3.83Å; L270-V403 HydrophobicContact CD1-CG2 3.76Å; L270-V403 HydrophobicContact CG-CG2 4.4Å
271	V	98.7	Very high	91.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	98.8	179.6	-176.6	0	0	0	0	108.1	L269 I273 V277 I279 I384 A388 V400 V401 F402 V403	L269-V271 HydrophobicContact CD2-CG2 4.26Å; V271-I273 HydrophobicContact CG1-CG1 4.04Å; V271-V277 HydrophobicContact CG1-CG1 3.73Å; V271-I279 HydrophobicContact CG1-CG1 4.21Å; V271-I279 HydrophobicContact CG2-CG1 4.33Å; V271-I279 HydrophobicContact CG2-CG2 4.4Å; V271-I384 HydrophobicContact CG1-CG2 4.02Å; V271-A388 HydrophobicContact CG2-CB 3.84Å; V271-V400 HydrophobicContact CG2-CG1 3.68Å; V271-V401 PolarHBondContact N-O 3.24Å; V271-F402 HydrophobicContact CB-CD1 3.55Å; V271-F402 HydrophobicContact CB-CE1 3.88Å; V271-F402 HydrophobicContact CB-CG 4.33Å; V271-F402 HydrophobicContact CG1-CD1 3.65Å; V271-F402 HydrophobicContact CG1-CE1 3.84Å; V271-F402 HydrophobicContact CG2-CD1 4.07Å; V271-F402 HydrophobicContact CG2-CE1 3.93Å; V271-F402 WeakPolarHBondContact O-CA 3.35Å; V271-V403 PolarHBondContact O-N 2.97Å
272	N	98.5	Very high	91.8	Very high	22 Å²	22	27.5 Å²	27.5	12%	0.118	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	108.3	179	-178.2	22.1	0	0	0	110.6	L225 V277 S278 V403	L225-N272 HydrophobicContact CD2-CB 3.75Å; N272-V277 WeakPolarHBondContact O-CA 3.42Å; N272-S278 PolarHBondContact N-O 3.49Å; N272-S278 PolarHBondContact O-N 2.91Å; N272-V403 HydrophobicContact CB-CG2 3.93Å
273	I	98.3	Very high	92.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	87.8	-177.2	-44.5	171.8	0	0	0	109.9	V271 V277 I384 F402 V403 G404 F406 L407 L417	V271-I273 HydrophobicContact CG1-CG1 4.04Å; I273-V277 HydrophobicContact CG1-CG1 4.36Å; I273-V277 HydrophobicContact CG2-CG2 3.97Å; I273-I384 HydrophobicContact CD1-CD1 4.27Å; I273-I384 HydrophobicContact CD1-CG2 3.89Å; I273-I384 HydrophobicContact CG1-CD1 4.46Å; I273-I384 HydrophobicContact CG1-CG2 4.21Å; I273-I384 HydrophobicContact CG2-CD1 3.7Å; I273-F402 HydrophobicContact CD1-CD1 4.09Å; I273-V403 PolarHBondContact N-O 3.19Å; I273-G404 CarbonylContact O-C 3.55Å; I273-G404 WeakPolarHBondContact O-CA 3.44Å; I273-F406 HydrophobicContact CB-CB 3.94Å; I273-F406 HydrophobicContact CB-CD1 4.33Å; I273-F406 HydrophobicContact CB-CG 4.5Å; I273-F406 HydrophobicContact CD1-CD1 4.12Å; I273-F406 HydrophobicContact CG2-CB 3.39Å; I273-F406 HydrophobicContact CG2-CD1 3.58Å; I273-F406 HydrophobicContact CG2-CG 3.61Å; I273-F406 WeakPolarHBondContact O-CB 3.47Å; I273-F406 PolarHBondContact O-N 3.42Å; I273-L407 HydrophobicContact CD1-CD1 4.2Å; I273-L407 HydrophobicContact CD1-CD2 4.25Å; I273-L407 HydrophobicContact CD1-CG 4.21Å; I273-L417 HydrophobicContact CD1-CD1 4.12Å
274	G	95	Very high	93.9	Very high	30 Å²	30	31 Å²	31	31%	0.309	18%	0.181	S	C	.	.	S	Bend	trans	-100.5	-137.3	173	0	0	0	0	0	112.1	G276 G298	G274-G276 CarbonylContact C-O 3.33Å; G274-G276 WeakPolarHBondContact CA-O 3.22Å; G274-G276 PolarHBondContact N-O 3.4Å; G274-G298 WeakPolarHBondContact O-CA 3.34Å; G274-G298 PolarHBondContact O-N 3.14Å
275	S	93.8	Very high	95.2	Very high	44 Å²	44	27.2 Å²	27.2	31%	0.308	16%	0.157	S	C	.	.	S	Bend	trans	-60.6	-46.3	171.9	-53.1	0	0	0	0	110.9	T104 G297 G299	T104-S275 PolarHBondContact N-OG 3.04Å; T104-S275 PolarHBondContact OG1-OG 3.42Å; S275-G297 CarbonylContact O-C 3.58Å; S275-G297 WeakPolarHBondContact O-CA 3.39Å; S275-G299 WeakPolarHBondContact O-CA 3.49Å; S275-G299 PolarHBondContact O-N 3.22Å
276	G	96.7	Very high	96.3	Very high	31 Å²	31	29.1 Å²	29.1	32%	0.32	17%	0.171	S	C	.	.	S	Bend	trans	-107.5	-160.1	161.3	0	0	0	0	0	110.7	G274	G274-G276 CarbonylContact C-O 3.33Å; G274-G276 WeakPolarHBondContact CA-O 3.22Å; G274-G276 PolarHBondContact N-O 3.4Å
277	V	98.6	Very high	96.6	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.03	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.9	177.8	-171.6	0	0	0	0	110.8	V271 N272 I273 I279 G293 T294 I384	V271-V277 HydrophobicContact CG1-CG1 3.73Å; N272-V277 WeakPolarHBondContact O-CA 3.42Å; I273-V277 HydrophobicContact CG1-CG1 4.36Å; I273-V277 HydrophobicContact CG2-CG2 3.97Å; V277-I279 HydrophobicContact CG1-CG1 4.22Å; V277-G293 CarbonylContact O-C 3.4Å; V277-G293 WeakPolarHBondContact O-CA 3.45Å; V277-T294 HydrophobicContact CB-CG2 3.65Å; V277-T294 HydrophobicContact CG1-CG2 4.41Å; V277-T294 HydrophobicContact CG2-CG2 3.77Å; V277-T294 PolarHBondContact N-O 2.99Å; V277-T294 PolarHBondContact O-N 2.96Å; V277-I384 HydrophobicContact CG2-CD1 3.89Å; V277-I384 HydrophobicContact CG2-CG1 4.01Å
278	S	98.4	Very high	96.7	Very high	23 Å²	23	31 Å²	31	16%	0.161	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134	169.5	-78.1	0	0	0	0	109.8	N272 R290	N272-S278 PolarHBondContact N-O 3.49Å; N272-S278 PolarHBondContact O-N 2.91Å; S278-R290 PolarHBondContact OG-NE 3.44Å; S278-R290 PolarHBondContact OG-NH2 2.83Å
279	I	98.8	Very high	96.8	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.3	-179.2	-59.4	178.2	0	0	0	108.6	L269 L270 V271 V277 R290 V291 T292 I387 C391	L269-I279 HydrophobicContact CD1-CG2 3.88Å; L269-I279 HydrophobicContact CD2-CG2 3.86Å; L269-I279 HydrophobicContact CG-CG2 3.88Å; L270-I279 CarbonylContact O-C 3.18Å; L270-I279 WeakPolarHBondContact O-CA 3.47Å; V271-I279 HydrophobicContact CG1-CG1 4.21Å; V271-I279 HydrophobicContact CG2-CG1 4.33Å; V271-I279 HydrophobicContact CG2-CG2 4.4Å; V277-I279 HydrophobicContact CG1-CG1 4.22Å; I279-R290 CarbonylContact O-C 3.44Å; I279-V291 PolarHBondContact O-N 3.41Å; I279-T292 HydrophobicContact CB-CG2 4.29Å; I279-T292 HydrophobicContact CD1-CG2 4.12Å; I279-T292 PolarHBondContact N-O 3.21Å; I279-T292 PolarHBondContact O-N 3.39Å; I279-I387 HydrophobicContact CD1-CB 4.44Å; I279-I387 HydrophobicContact CD1-CG2 3.56Å; I279-C391 HydrophobicContact CG2-CB 4.02Å
280	L	98.6	Very high	96.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138.7	-177.2	-55	88.7	0	0	0	110.5	L222 L269 L270 V282 Y288 K289	L222-L280 HydrophobicContact CB-CD2 4Å; L222-L280 HydrophobicContact CD1-CD2 4.02Å; L222-L280 HydrophobicContact CD2-CD1 4.25Å; L222-L280 HydrophobicContact CD2-CD2 4.24Å; L222-L280 HydrophobicContact CG-CD2 4.3Å; L269-L280 CarbonylContact C-O 3.56Å; L269-L280 VanDerWaalsContact CA-O 3.31Å; L269-L280 WeakPolarHBondContact CA-O 3.49Å; L269-L280 WeakPolarHBondContact CD1-O 3.47Å; L270-L280 HydrophobicContact CB-CB 4.33Å; L270-L280 HydrophobicContact CB-CD1 4.42Å; L270-L280 HydrophobicContact CD2-CD1 4.46Å; L270-L280 HydrophobicContact CG-CD1 4.45Å; L270-L280 PolarHBondContact N-O 3.4Å; L270-L280 PolarHBondContact O-N 3.32Å; L280-V282 HydrophobicContact CB-CG2 4.13Å; L280-Y288 HydrophobicContact CD2-CD2 4.29Å; L280-K289 CarbonylContact C-O 3.53Å; L280-K289 VanDerWaalsContact CA-O 3.27Å; L280-K289 WeakPolarHBondContact CA-O 3.28Å
281	A	98.4	Very high	96.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.5	161.6	0	0	0	0	0	107.6	L269 Y283 Y288 K289 V291 E395 I397	L269-A281 HydrophobicContact CD1-CB 4.38Å; A281-Y283 HydrophobicContact CB-CE1 4.28Å; A281-Y283 HydrophobicContact CB-CE2 4.12Å; A281-Y288 CarbonylContact O-C 3.57Å; A281-Y288 WeakPolarHBondContact O-CA 3.45Å; A281-Y288 WeakPolarHBondContact O-CB 3.49Å; A281-K289 HydrophobicContact CB-CG 4.27Å; A281-K289 PolarHBondContact N-O 2.78Å; A281-K289 PolarHBondContact O-N 2.85Å; A281-V291 HydrophobicContact CB-CG2 3.57Å; A281-E395 HydrophobicContact CB-CG 4.19Å; A281-I397 HydrophobicContact CB-CD1 3.85Å
282	V	97.4	Very high	96.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	109.3	-175.3	-170.3	0	0	0	0	108.3	I226 F266 P267 M268 L270 L280	I226-V282 HydrophobicContact CD1-CB 4.41Å; I226-V282 HydrophobicContact CD1-CG1 4.02Å; I226-V282 HydrophobicContact CD1-CG2 3.46Å; I226-V282 VanDerWaalsContact CD1-CG2 3.46Å; F266-V282 HydrophobicContact CD1-CB 4.46Å; F266-V282 HydrophobicContact CD1-CG1 3.8Å; F266-V282 HydrophobicContact CE1-CG1 3.56Å; P267-V282 CarbonylContact C-O 3.59Å; P267-V282 WeakPolarHBondContact CA-O 3.31Å; M268-V282 HydrophobicContact CE-CB 4.13Å; M268-V282 HydrophobicContact CE-CG1 3.99Å; M268-V282 HydrophobicContact CE-CG2 4.22Å; M268-V282 HydrophobicContact CG-CB 3.87Å; M268-V282 HydrophobicContact CG-CG2 4.3Å; M268-V282 PolarHBondContact N-O 3.42Å; M268-V282 PolarHBondContact O-N 2.88Å; L270-V282 HydrophobicContact CB-CG2 4.07Å; L280-V282 HydrophobicContact CB-CG2 4.13Å
283	Y	96	Very high	96.7	Very high	73 Å²	73	45.9 Å²	45.9	29%	0.286	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-22.8	-176.5	-50.3	-75	0	0	0	113	F266 P267 A281 N287 K289 E395 I397	F266-Y283 WeakPolarHBondContact CB-O 3.36Å; F266-Y283 WeakPolarHBondContact CG-O 3.49Å; P267-Y283 HydrophobicContact CB-CD1 4Å; A281-Y283 HydrophobicContact CB-CE1 4.28Å; A281-Y283 HydrophobicContact CB-CE2 4.12Å; Y283-N287 WeakPolarHBondContact CA-O 3.37Å; Y283-N287 PolarHBondContact N-O 2.98Å; Y283-K289 HydrophobicContact CE2-CD 4.22Å; Y283-K289 HydrophobicContact CE2-CG 4.27Å; Y283-K289 WeakPolarHBondContact OH-CE 3.27Å; Y283-K289 PolarHBondContact OH-NZ 2.93Å; Y283-E395 PolarHBondContact OH-OE2 2.72Å; Y283-I397 HydrophobicContact CE1-CD1 4.49Å
284	S	93.9	Very high	96.7	Very high	44 Å²	44	47 Å²	47	31%	0.308	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	177.1	167	77.3	0	0	0	0	110.1	F266 N286 N287	F266-S284 VanDerWaalsContact CZ-C 3.5Å; S284-N286 PolarHBondContact O-N 2.8Å; S284-N286 VanDerWaalsContact O-N 3.14Å; S284-N286 PolarHBondContact OG-N 2.95Å; S284-N287 PolarHBondContact N-O 3.37Å; S284-N287 PolarHBondContact O-N 3.24Å; S284-N287 VanDerWaalsContact OG-CB 3.22Å; S284-N287 WeakPolarHBondContact OG-CB 3.38Å; S284-N287 PolarHBondContact OG-N 2.75Å; S284-N287 VanDerWaalsContact OG-N 3.12Å
285	E	90.3	Very high	96.9	Very high	83 Å²	83	50.3 Å²	50.3	39%	0.388	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-33.7	175.7	-179.7	170.2	176.2	0	0	113	L230 F266	L230-E285 HydrophobicContact CD1-CB 3.92Å; L230-E285 HydrophobicContact CD1-CG 3.76Å; F266-E285 HydrophobicContact CZ-CB 4.38Å; F266-E285 VanDerWaalsContact CZ-N 3.27Å
286	N	92.8	Very high	97.1	Very high	141 Å²	141	51.5 Å²	51.5	75%	0.754	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	7.7	-177.7	-58.8	-47.5	0	0	0	113.2	S284	S284-N286 PolarHBondContact O-N 2.8Å; S284-N286 VanDerWaalsContact O-N 3.14Å; S284-N286 PolarHBondContact OG-N 2.95Å
287	N	96.1	Very high	97.1	Very high	88 Å²	88	50 Å²	50	47%	0.471	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	100.4	178.7	-177.8	9.1	0	0	0	109.7	Y283 S284	Y283-N287 WeakPolarHBondContact CA-O 3.37Å; Y283-N287 PolarHBondContact N-O 2.98Å; S284-N287 PolarHBondContact N-O 3.37Å; S284-N287 PolarHBondContact O-N 3.24Å; S284-N287 VanDerWaalsContact OG-CB 3.22Å; S284-N287 WeakPolarHBondContact OG-CB 3.38Å; S284-N287 PolarHBondContact OG-N 2.75Å; S284-N287 VanDerWaalsContact OG-N 3.12Å
288	Y	97.3	Very high	97	Very high	59 Å²	59	50.1 Å²	50.1	23%	0.231	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	158.8	175.6	48	-88.6	0	0	0	109.7	D223 I226 L280 A281	D223-Y288 WeakPolarHBondContact CA-OH 3.4Å; D223-Y288 PolarHBondContact OD1-OH 2.79Å; I226-Y288 HydrophobicContact CG1-CD1 4.35Å; I226-Y288 HydrophobicContact CG1-CE1 4.42Å; I226-Y288 HydrophobicContact CG1-CG 4.43Å; I226-Y288 HydrophobicContact CG2-CD1 4.45Å; I226-Y288 HydrophobicContact CG2-CE1 4.37Å; L280-Y288 HydrophobicContact CD2-CD2 4.29Å; A281-Y288 CarbonylContact O-C 3.57Å; A281-Y288 WeakPolarHBondContact O-CA 3.45Å; A281-Y288 WeakPolarHBondContact O-CB 3.49Å
289	K	97.8	Very high	96.8	Very high	88 Å²	88	50.2 Å²	50.2	38%	0.383	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	144.1	173.2	70.9	-174.2	-170.2	-167.5	0	109.6	L280 A281 Y283 V291 E395	L280-K289 CarbonylContact C-O 3.53Å; L280-K289 VanDerWaalsContact CA-O 3.27Å; L280-K289 WeakPolarHBondContact CA-O 3.28Å; A281-K289 HydrophobicContact CB-CG 4.27Å; A281-K289 PolarHBondContact N-O 2.78Å; A281-K289 PolarHBondContact O-N 2.85Å; Y283-K289 HydrophobicContact CE2-CD 4.22Å; Y283-K289 HydrophobicContact CE2-CG 4.27Å; Y283-K289 WeakPolarHBondContact OH-CE 3.27Å; Y283-K289 PolarHBondContact OH-NZ 2.93Å; K289-V291 HydrophobicContact CG-CG2 4.32Å; K289-V291 PolarHBondContact O-N 2.92Å; K289-E395 WeakPolarHBondContact CE-OE1 3.24Å; K289-E395 WeakPolarHBondContact CE-OE2 3.15Å; K289-E395 IonicContact NZ-OE1 3.5Å; K289-E395 PolarHBondContact NZ-OE1 2.82Å; K289-E395 IonicContact NZ-OE2 2.86Å; K289-E395 PolarHBondContact NZ-OE2 3.46Å
290	R	98.3	Very high	96.8	Very high	132 Å²	132	51.9 Å²	51.9	50%	0.498	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	106.4	166.2	-172.3	179.5	-176.3	-83.9	-0.3	108.4	L222 S278 I279	L222-R290 HydrophobicContact CD1-CB 4.19Å; L222-R290 HydrophobicContact CD1-CG 4.35Å; S278-R290 PolarHBondContact OG-NE 3.44Å; S278-R290 PolarHBondContact OG-NH2 2.83Å; I279-R290 CarbonylContact O-C 3.44Å
291	V	98.2	Very high	96.7	Very high	42 Å²	42	51.9 Å²	51.9	26%	0.255	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-50.7	-178.4	177.7	0	0	0	0	109.9	I279 A281 K289 C391 E395	I279-V291 PolarHBondContact O-N 3.41Å; A281-V291 HydrophobicContact CB-CG2 3.57Å; K289-V291 HydrophobicContact CG-CG2 4.32Å; K289-V291 PolarHBondContact O-N 2.92Å; V291-C391 HydrophobicContact CG1-CB 4.46Å; V291-E395 HydrophobicContact CG1-CG 4.33Å; V291-E395 HydrophobicContact CG2-CG 3.94Å
292	T	98.5	Very high	96.6	Very high	56 Å²	56	53.3 Å²	53.3	34%	0.344	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	-171.1	-179.1	-167.5	0	0	0	0	110.3	I279 I387 C391	I279-T292 HydrophobicContact CB-CG2 4.29Å; I279-T292 HydrophobicContact CD1-CG2 4.12Å; I279-T292 PolarHBondContact N-O 3.21Å; I279-T292 PolarHBondContact O-N 3.39Å; T292-I387 HydrophobicContact CG2-CG2 4.4Å; T292-C391 WeakPolarHBondContact CG2-SG 3.39Å
293	G	97.9	Very high	96.6	Very high	24 Å²	24	54.9 Å²	54.9	25%	0.247	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	177.3	166.3	0	0	0	0	0	111.7	V277	V277-G293 CarbonylContact O-C 3.4Å; V277-G293 WeakPolarHBondContact O-CA 3.45Å
294	T	98.6	Very high	96.7	Very high	24 Å²	24	54.6 Å²	54.6	15%	0.147	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.2	170.7	176.6	0	0	0	0	109.6	V277 L296 I387	V277-T294 HydrophobicContact CB-CG2 3.65Å; V277-T294 HydrophobicContact CG1-CG2 4.41Å; V277-T294 HydrophobicContact CG2-CG2 3.77Å; V277-T294 PolarHBondContact N-O 2.99Å; V277-T294 PolarHBondContact O-N 2.96Å; T294-L296 PolarHBondContact O-N 3.48Å; T294-L296 WeakPolarHBondContact OG1-CB 3.32Å; T294-L296 PolarHBondContact OG1-N 3.18Å; T294-L296 VanDerWaalsContact OG1-N 3.1Å; T294-I387 HydrophobicContact CG2-CD1 3.92Å
295	S	98.1	Very high	96.9	Very high	99 Å²	99	52.5 Å²	52.5	69%	0.692	29%	0.294	S	S	*	.	S	Bend	trans	-74.8	-13.1	171.6	58.6	0	0	0	0	112.3	G297 T300	S295-G297 VanDerWaalsContact C-N 3.34Å; S295-G297 PolarHBondContact O-N 2.93Å; S295-G297 VanDerWaalsContact O-N 3.08Å; S295-T300 PolarHBondContact O-OG1 2.88Å
296	L	98.4	Very high	97.2	Very high	68 Å²	68	50.8 Å²	50.8	36%	0.356	29%	0.29	S	S	.	.			trans	-82.2	77.1	177.8	-57.2	176.7	0	0	0	110.1	T294 T300 I380	T294-L296 PolarHBondContact O-N 3.48Å; T294-L296 WeakPolarHBondContact OG1-CB 3.32Å; T294-L296 PolarHBondContact OG1-N 3.18Å; T294-L296 VanDerWaalsContact OG1-N 3.1Å; L296-T300 WeakPolarHBondContact CA-OG1 3.46Å; L296-T300 HydrophobicContact CD2-CG2 3.86Å; L296-I380 HydrophobicContact CB-CD1 4.22Å
297	G	96.9	Very high	97.5	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	-118	-157.3	-179.2	0	0	0	0	0	113.3	S275 S295 G299 T300 F301	S275-G297 CarbonylContact O-C 3.58Å; S275-G297 WeakPolarHBondContact O-CA 3.39Å; S295-G297 VanDerWaalsContact C-N 3.34Å; S295-G297 PolarHBondContact O-N 2.93Å; S295-G297 VanDerWaalsContact O-N 3.08Å; G297-G299 PolarHBondContact O-N 2.91Å; G297-T300 PolarHBondContact N-OG1 3.39Å; G297-T300 WeakPolarHBondContact O-CB 3.42Å; G297-T300 PolarHBondContact O-N 3.47Å; G297-T300 VanDerWaalsContact O-N 3.1Å; G297-F301 PolarHBondContact O-N 2.85Å; G297-F301 VanDerWaalsContact O-N 3.11Å
298	G	95.6	Very high	97.6	Very high	8 Å²	8	50.3 Å²	50.3	8%	0.082	29%	0.287	C	S	.	.	H	α-helix	trans	-63.7	-26.8	178.6	0	0	0	0	0	113.6	G274 F301 L302	G274-G298 WeakPolarHBondContact O-CA 3.34Å; G274-G298 PolarHBondContact O-N 3.14Å; G298-F301 PolarHBondContact O-N 3.02Å; G298-L302 WeakPolarHBondContact O-CB 3.49Å; G298-L302 PolarHBondContact O-N 3.29Å
299	G	95	Very high	97.6	Very high	24 Å²	24	47.7 Å²	47.7	25%	0.247	28%	0.277	C	S	.	.	H	α-helix	trans	-68.6	-36.6	173.4	0	0	0	0	0	112.5	S275 G297 G303	S275-G299 WeakPolarHBondContact O-CA 3.49Å; S275-G299 PolarHBondContact O-N 3.22Å; G297-G299 PolarHBondContact O-N 2.91Å; G299-G303 PolarHBondContact O-N 3.29Å
300	T	97.9	Very high	97.6	Very high	36 Å²	36	45.9 Å²	45.9	22%	0.221	28%	0.283	C	S	.	.	H	α-helix	trans	-67.9	-44.9	173.4	-49.2	0	0	0	0	111.1	S295 L296 G297 L304 I380	S295-T300 PolarHBondContact O-OG1 2.88Å; L296-T300 WeakPolarHBondContact CA-OG1 3.46Å; L296-T300 HydrophobicContact CD2-CG2 3.86Å; G297-T300 PolarHBondContact N-OG1 3.39Å; G297-T300 WeakPolarHBondContact O-CB 3.42Å; G297-T300 PolarHBondContact O-N 3.47Å; G297-T300 VanDerWaalsContact O-N 3.1Å; T300-L304 HydrophobicContact CG2-CD1 3.87Å; T300-L304 HydrophobicContact CG2-CG 4.32Å; T300-L304 WeakPolarHBondContact O-CB 2.96Å; T300-L304 WeakPolarHBondContact O-CG 3.13Å; T300-L304 PolarHBondContact O-N 3.49Å; T300-I380 HydrophobicContact CG2-CD1 3.76Å
301	F	97.8	Very high	97.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-55.5	-56.1	174.5	164.5	-106.3	0	0	0	111.2	G297 G298 G303 L304 C305 F314 A317 L318 T376 L377 I380 F406	G297-F301 PolarHBondContact O-N 2.85Å; G297-F301 VanDerWaalsContact O-N 3.11Å; G298-F301 PolarHBondContact O-N 3.02Å; F301-G303 PolarHBondContact O-N 3.44Å; F301-L304 PolarHBondContact O-N 3.35Å; F301-C305 WeakPolarHBondContact CE2-SG 3.46Å; F301-C305 WeakPolarHBondContact O-CB 3.12Å; F301-C305 PolarHBondContact O-N 2.89Å; F301-C305 PolarHBondContact O-SG 2.95Å; F301-C305 VanDerWaalsContact O-SG 3.33Å; F301-F314 HydrophobicContact CD1-CD2 4.11Å; F301-F314 AromaticContact CD1-CE2 3.65Å; F301-F314 HydrophobicContact CD1-CE2 3.65Å; F301-F314 AromaticContact CE1-CD2 3.99Å; F301-F314 HydrophobicContact CE1-CD2 3.99Å; F301-F314 AromaticContact CE1-CE2 3.67Å; F301-F314 HydrophobicContact CE1-CE2 3.67Å; F301-F314 HydrophobicContact CE1-CZ 4.42Å; F301-A317 HydrophobicContact CE1-CB 3.93Å; F301-A317 HydrophobicContact CZ-CB 3.8Å; F301-L318 HydrophobicContact CE1-CD2 4.06Å; F301-L318 HydrophobicContact CE1-CG 4.44Å; F301-L318 HydrophobicContact CZ-CD2 4Å; F301-T376 HydrophobicContact CD2-CG2 3.85Å; F301-L377 HydrophobicContact CD2-CB 4.19Å; F301-L377 HydrophobicContact CD2-CD1 3.97Å; F301-L377 HydrophobicContact CE1-CD1 4.38Å; F301-L377 HydrophobicContact CE2-CB 3.75Å; F301-L377 HydrophobicContact CE2-CD1 3.67Å; F301-L377 HydrophobicContact CE2-CG 4.32Å; F301-L377 HydrophobicContact CG-CD1 4.46Å; F301-L377 HydrophobicContact CZ-CD1 3.89Å; F301-I380 HydrophobicContact CB-CG1 4.2Å; F301-I380 HydrophobicContact CB-CG2 4.5Å; F301-F406 HydrophobicContact CB-CE2 3.88Å; F301-F406 HydrophobicContact CD1-CD2 4.38Å; F301-F406 AromaticContact CD1-CE2 3.95Å; F301-F406 HydrophobicContact CD1-CE2 3.95Å; F301-F406 AromaticContact CG-CE2 3.89Å; F301-F406 HydrophobicContact CG-CE2 3.89Å
302	L	95.6	Very high	97.1	Very high	30 Å²	30	45.9 Å²	45.9	16%	0.157	29%	0.286	C	S	.	.	H	α-helix	trans	-62.5	-47.2	-177.5	-179	57	0	0	0	111.6	T104 G298 L304 C305 C306 F314 A317	T104-L302 HydrophobicContact CG2-CD2 4.31Å; G298-L302 WeakPolarHBondContact O-CB 3.49Å; G298-L302 PolarHBondContact O-N 3.29Å; L302-L304 PolarHBondContact O-N 3.37Å; L302-C305 PolarHBondContact O-N 3.46Å; L302-C306 PolarHBondContact O-N 3.23Å; L302-C306 PolarHBondContact O-SG 3.35Å; L302-F314 HydrophobicContact CD1-CB 4.39Å; L302-F314 HydrophobicContact CD2-CB 4.43Å; L302-A317 HydrophobicContact CD1-CB 4.36Å
303	G	96.6	Very high	96.6	Very high	33 Å²	33	46.3 Å²	46.3	34%	0.34	29%	0.289	S	S	.	.	H	α-helix	trans	-61.1	-43.2	-179.1	0	0	0	0	0	113.2	G299 F301 C306 L307	G299-G303 PolarHBondContact O-N 3.29Å; F301-G303 PolarHBondContact O-N 3.44Å; G303-C306 PolarHBondContact O-N 2.55Å; G303-L307 WeakPolarHBondContact O-CG 3.21Å; G303-L307 PolarHBondContact O-N 3.43Å; G303-L307 VanDerWaalsContact O-N 3.14Å
304	L	98.6	Very high	96.2	Very high	68 Å²	68	46.2 Å²	46.2	36%	0.356	28%	0.282	S	S	.	.	H	α-helix	trans	-68.2	-40.7	175.9	-71.6	177.7	0	0	0	111.8	T300 F301 L302 C306 L307 L308 T376	T300-L304 HydrophobicContact CG2-CD1 3.87Å; T300-L304 HydrophobicContact CG2-CG 4.32Å; T300-L304 WeakPolarHBondContact O-CB 2.96Å; T300-L304 WeakPolarHBondContact O-CG 3.13Å; T300-L304 PolarHBondContact O-N 3.49Å; F301-L304 PolarHBondContact O-N 3.35Å; L302-L304 PolarHBondContact O-N 3.37Å; L304-C306 PolarHBondContact O-N 3.22Å; L304-L307 PolarHBondContact O-N 3.11Å; L304-L308 HydrophobicContact CB-CD1 4.32Å; L304-L308 VanDerWaalsContact O-CB 3.29Å; L304-L308 WeakPolarHBondContact O-CB 3.25Å; L304-L308 WeakPolarHBondContact O-CG 3.32Å; L304-L308 PolarHBondContact O-N 2.74Å; L304-T376 HydrophobicContact CB-CG2 3.81Å; L304-T376 HydrophobicContact CD1-CG2 4.19Å
305	C	98.3	Very high	95.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.6	-47	174.2	-74.8	0	0	0	0	111.2	F301 L302 L307 L308 T309 C311 A317	F301-C305 WeakPolarHBondContact CE2-SG 3.46Å; F301-C305 WeakPolarHBondContact O-CB 3.12Å; F301-C305 PolarHBondContact O-N 2.89Å; F301-C305 PolarHBondContact O-SG 2.95Å; F301-C305 VanDerWaalsContact O-SG 3.33Å; L302-C305 PolarHBondContact O-N 3.46Å; C305-L307 VanDerWaalsContact C-N 3.28Å; C305-L307 PolarHBondContact O-N 3.2Å; C305-L308 PolarHBondContact O-N 3.43Å; C305-T309 WeakPolarHBondContact O-CB 3.34Å; C305-T309 PolarHBondContact O-N 3.33Å; C305-T309 PolarHBondContact O-OG1 3.48Å; C305-C311 VanDerWaalsContact C-SG 3.53Å; C305-A317 HydrophobicContact CB-CB 3.93Å
306	C	97.3	Very high	95.6	Very high	47 Å²	47	46.8 Å²	46.8	32%	0.318	27%	0.272	S	S	.	.	H	α-helix	trans	-54.4	-44.8	175.1	-66.6	0	0	0	0	112.1	L302 G303 L304 G310 C311	L302-C306 PolarHBondContact O-N 3.23Å; L302-C306 PolarHBondContact O-SG 3.35Å; G303-C306 PolarHBondContact O-N 2.55Å; L304-C306 PolarHBondContact O-N 3.22Å; C306-G310 VanDerWaalsContact O-CA 3.23Å; C306-G310 WeakPolarHBondContact O-CA 3.24Å; C306-G310 PolarHBondContact O-N 2.9Å; C306-C311 WeakPolarHBondContact CA-O 3.34Å; C306-C311 PolarHBondContact SG-O 2.72Å
307	L	98.6	Very high	95.5	Very high	146 Å²	146	43.6 Å²	43.6	76%	0.764	26%	0.255	S	S	*	.	H	α-helix	trans	-69.2	-39.8	179.9	-70.5	171.1	0	0	0	113.3	G303 L304 C305	G303-L307 WeakPolarHBondContact O-CG 3.21Å; G303-L307 PolarHBondContact O-N 3.43Å; G303-L307 VanDerWaalsContact O-N 3.14Å; L304-L307 PolarHBondContact O-N 3.11Å; C305-L307 VanDerWaalsContact C-N 3.28Å; C305-L307 PolarHBondContact O-N 3.2Å
308	L	98.3	Very high	95.4	Very high	73 Å²	73	44.3 Å²	44.3	38%	0.382	26%	0.259	S	S	.	.	H	α-helix	trans	-89.2	-28.5	-170.8	-66.1	170.4	0	0	0	113.1	L304 C305 F355 L372	L304-L308 HydrophobicContact CB-CD1 4.32Å; L304-L308 VanDerWaalsContact O-CB 3.29Å; L304-L308 WeakPolarHBondContact O-CB 3.25Å; L304-L308 WeakPolarHBondContact O-CG 3.32Å; L304-L308 PolarHBondContact O-N 2.74Å; C305-L308 PolarHBondContact O-N 3.43Å; L308-F355 HydrophobicContact CD1-CE1 4.15Å; L308-L372 HydrophobicContact CB-CB 4.44Å; L308-L372 HydrophobicContact CB-CD1 4.35Å
309	T	98.1	Very high	95.3	Very high	3 Å²	3	49 Å²	49	2%	0.018	28%	0.279	C	S	.	.	H	α-helix	trans	-119.2	-22.2	-173.8	77.2	0	0	0	0	112.9	C305 C311 M320 K369 L372 A373	C305-T309 WeakPolarHBondContact O-CB 3.34Å; C305-T309 PolarHBondContact O-N 3.33Å; C305-T309 PolarHBondContact O-OG1 3.48Å; T309-C311 VanDerWaalsContact C-N 3.33Å; T309-C311 PolarHBondContact OG1-N 2.94Å; T309-C311 PolarHBondContact OG1-SG 2.84Å; T309-M320 VanDerWaalsContact CB-SD 3.58Å; T309-M320 HydrophobicContact CG2-SD 4.16Å; T309-M320 PolarHBondContact OG1-SD 2.64Å; T309-M320 VanDerWaalsContact OG1-SD 3.34Å; T309-K369 HydrophobicContact CG2-CB 4.08Å; T309-K369 VanDerWaalsContact CG2-O 3.23Å; T309-K369 WeakPolarHBondContact CG2-O 3.5Å; T309-K369 VanDerWaalsContact O-CD 3.27Å; T309-K369 WeakPolarHBondContact O-CD 3.48Å; T309-K369 WeakPolarHBondContact O-CE 3.12Å; T309-K369 PolarHBondContact O-NZ 2.88Å; T309-L372 HydrophobicContact CG2-CB 4.35Å; T309-A373 HydrophobicContact CG2-CB 4.2Å
310	G	97.4	Very high	95.4	Very high	50 Å²	50	49 Å²	49	52%	0.515	27%	0.273	S	S	.	.			trans	79.4	12.2	-173.9	0	0	0	0	0	114.1	C306	C306-G310 VanDerWaalsContact O-CA 3.23Å; C306-G310 WeakPolarHBondContact O-CA 3.24Å; C306-G310 PolarHBondContact O-N 2.9Å
311	C	95.9	Very high	95.4	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.02	26%	0.262	C	S	.	.			trans	-63.9	149.5	172.4	66	0	0	0	0	111.2	C305 C306 T309 E316 M320	C305-C311 VanDerWaalsContact C-SG 3.53Å; C306-C311 WeakPolarHBondContact CA-O 3.34Å; C306-C311 PolarHBondContact SG-O 2.72Å; T309-C311 VanDerWaalsContact C-N 3.33Å; T309-C311 PolarHBondContact OG1-N 2.94Å; T309-C311 PolarHBondContact OG1-SG 2.84Å; C311-E316 WeakPolarHBondContact CA-OE2 3.45Å; C311-E316 HydrophobicContact CB-CB 4.17Å; C311-E316 VanDerWaalsContact CB-CD 3.48Å; C311-E316 HydrophobicContact CB-CG 3.76Å; C311-E316 WeakPolarHBondContact CB-OE2 3.42Å; C311-M320 HydrophobicContact CB-SD 4.11Å
312	E	89.3	Confident	95.2	Very high	171 Å²	171	50.7 Å²	50.7	80%	0.799	29%	0.285	S	S	*	.			trans	-107.4	-19.2	-177.4	-62.9	-172.4	171	0	0	112.9	E316	E312-E316 PolarHBondContact N-OE2 2.76Å
313	T	88.8	Confident	95.2	Very high	65 Å²	65	55.5 Å²	55.5	40%	0.399	31%	0.305	S	S	.	.	S	Bend	trans	-127.6	157.3	-174.3	68.6	0	0	0	0	112.6	E315 E316 A317	T313-E315 VanDerWaalsContact C-N 3.32Å; T313-E316 PolarHBondContact O-N 3.1Å; T313-E316 VanDerWaalsContact OG1-CB 3.24Å; T313-E316 WeakPolarHBondContact OG1-CB 3.43Å; T313-E316 PolarHBondContact OG1-N 2.98Å; T313-E316 VanDerWaalsContact OG1-N 3.16Å; T313-A317 PolarHBondContact O-N 2.82Å
314	F	90	Very high	95.2	Very high	23 Å²	23	54.3 Å²	54.3	10%	0.101	29%	0.293	C	S	.	.	H	α-helix	trans	-64.3	-40	176.4	-176.4	-99.5	0	0	0	111.7	F301 L302 A317 L318 F406	F301-F314 HydrophobicContact CD1-CD2 4.11Å; F301-F314 AromaticContact CD1-CE2 3.65Å; F301-F314 HydrophobicContact CD1-CE2 3.65Å; F301-F314 AromaticContact CE1-CD2 3.99Å; F301-F314 HydrophobicContact CE1-CD2 3.99Å; F301-F314 AromaticContact CE1-CE2 3.67Å; F301-F314 HydrophobicContact CE1-CE2 3.67Å; F301-F314 HydrophobicContact CE1-CZ 4.42Å; L302-F314 HydrophobicContact CD1-CB 4.39Å; L302-F314 HydrophobicContact CD2-CB 4.43Å; F314-A317 PolarHBondContact O-N 3.15Å; F314-L318 HydrophobicContact CD1-CD1 3.84Å; F314-L318 HydrophobicContact CD1-CG 4.31Å; F314-L318 HydrophobicContact CE1-CD1 3.29Å; F314-L318 HydrophobicContact CE1-CG 3.95Å; F314-L318 HydrophobicContact CZ-CD1 3.83Å; F314-L318 HydrophobicContact CZ-CD2 4.33Å; F314-L318 HydrophobicContact CZ-CG 4.14Å; F314-L318 WeakPolarHBondContact O-CG 3.48Å; F314-L318 PolarHBondContact O-N 3.29Å; F314-F406 HydrophobicContact CE2-CD2 4.16Å; F314-F406 HydrophobicContact CZ-CD2 4.27Å; F314-F406 WeakPolarHBondContact CZ-O 3.24Å
315	E	90.1	Very high	95.1	Very high	67 Å²	67	54.6 Å²	54.6	31%	0.313	30%	0.295	S	S	.	.	H	α-helix	trans	-59.9	-46.5	175.7	-71.2	74.5	-171.7	0	0	111.8	R169 T313 L318 E319 R408 I409	R169-E315 IonicContact CZ-OE1 3.31Å; R169-E315 IonicContact NH1-OE1 3.92Å; R169-E315 PolarHBondContact NH1-OE1 3.02Å; T313-E315 VanDerWaalsContact C-N 3.32Å; E315-L318 PolarHBondContact O-N 3.14Å; E315-E319 WeakPolarHBondContact O-CB 3.16Å; E315-E319 PolarHBondContact O-N 3.1Å; E315-R408 IonicContact OE1-CZ 3.26Å; E315-R408 IonicContact OE1-NE 2.93Å; E315-R408 IonicContact OE1-NH2 2.81Å; E315-R408 PolarHBondContact OE1-NH2 2.7Å; E315-R408 IonicContact OE2-NH2 2.81Å; E315-I409 HydrophobicContact CG-CD1 4.07Å
316	E	94	Very high	95.1	Very high	68 Å²	68	55.3 Å²	55.3	32%	0.318	30%	0.3	S	S	.	.	H	α-helix	trans	-63.7	-42.1	176.4	-175.2	-173.5	-177.9	0	0	111.8	C311 E312 T313 L318 E319 M320	C311-E316 WeakPolarHBondContact CA-OE2 3.45Å; C311-E316 HydrophobicContact CB-CB 4.17Å; C311-E316 VanDerWaalsContact CB-CD 3.48Å; C311-E316 HydrophobicContact CB-CG 3.76Å; C311-E316 WeakPolarHBondContact CB-OE2 3.42Å; E312-E316 PolarHBondContact N-OE2 2.76Å; T313-E316 PolarHBondContact O-N 3.1Å; T313-E316 VanDerWaalsContact OG1-CB 3.24Å; T313-E316 WeakPolarHBondContact OG1-CB 3.43Å; T313-E316 PolarHBondContact OG1-N 2.98Å; T313-E316 VanDerWaalsContact OG1-N 3.16Å; E316-L318 VanDerWaalsContact C-N 3.33Å; E316-L318 PolarHBondContact O-N 3.37Å; E316-E319 PolarHBondContact O-N 3.08Å; E316-M320 WeakPolarHBondContact O-CG 3.46Å; E316-M320 PolarHBondContact O-N 3.01Å
317	A	95.8	Very high	95.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.5	-41.8	176.4	0	0	0	0	0	112	F301 L302 C305 T313 F314 A321	F301-A317 HydrophobicContact CE1-CB 3.93Å; F301-A317 HydrophobicContact CZ-CB 3.8Å; L302-A317 HydrophobicContact CD1-CB 4.36Å; C305-A317 HydrophobicContact CB-CB 3.93Å; T313-A317 PolarHBondContact O-N 2.82Å; F314-A317 PolarHBondContact O-N 3.15Å; A317-A321 WeakPolarHBondContact O-CB 3.39Å; A317-A321 PolarHBondContact O-N 3.11Å
318	L	94.3	Very high	95.1	Very high	16 Å²	16	52.2 Å²	52.2	8%	0.084	28%	0.283	C	S	.	.	H	α-helix	trans	-68.5	-39.3	175.3	-73	-177.8	0	0	0	112.3	F301 F314 E315 E316 A321 S322 L377 I409 N410	F301-L318 HydrophobicContact CE1-CD2 4.06Å; F301-L318 HydrophobicContact CE1-CG 4.44Å; F301-L318 HydrophobicContact CZ-CD2 4Å; F314-L318 HydrophobicContact CD1-CD1 3.84Å; F314-L318 HydrophobicContact CD1-CG 4.31Å; F314-L318 HydrophobicContact CE1-CD1 3.29Å; F314-L318 HydrophobicContact CE1-CG 3.95Å; F314-L318 HydrophobicContact CZ-CD1 3.83Å; F314-L318 HydrophobicContact CZ-CD2 4.33Å; F314-L318 HydrophobicContact CZ-CG 4.14Å; F314-L318 WeakPolarHBondContact O-CG 3.48Å; F314-L318 PolarHBondContact O-N 3.29Å; E315-L318 PolarHBondContact O-N 3.14Å; E316-L318 VanDerWaalsContact C-N 3.33Å; E316-L318 PolarHBondContact O-N 3.37Å; L318-A321 PolarHBondContact O-N 3.21Å; L318-S322 PolarHBondContact O-N 3.17Å; L318-L377 HydrophobicContact CD2-CD1 3.96Å; L318-L377 HydrophobicContact CD2-CD2 4.39Å; L318-I409 HydrophobicContact CD1-CD1 4.31Å; L318-I409 HydrophobicContact CD1-CG1 3.86Å; L318-N410 HydrophobicContact CD1-CB 3.93Å; L318-N410 HydrophobicContact CD2-CB 4.05Å
319	E	94.7	Very high	95.1	Very high	106 Å²	106	48.7 Å²	48.7	50%	0.495	27%	0.265	S	S	.	.	H	α-helix	trans	-61.1	-46.5	175.5	-170.6	-174.6	163.8	0	0	111	E315 E316 S322 K323	E315-E319 WeakPolarHBondContact O-CB 3.16Å; E315-E319 PolarHBondContact O-N 3.1Å; E316-E319 PolarHBondContact O-N 3.08Å; E319-S322 WeakPolarHBondContact O-CB 3.4Å; E319-S322 PolarHBondContact O-N 3.21Å; E319-S322 PolarHBondContact O-OG 2.94Å; E319-K323 IonicContact OE1-NZ 2.72Å; E319-K323 PolarHBondContact OE1-NZ 3.5Å
320	M	97.1	Very high	95.1	Very high	25 Å²	25	48.6 Å²	48.6	12%	0.123	26%	0.264	C	S	.	.	H	α-helix	trans	-57.9	-49	173.3	-75.2	-176.2	155.7	0	0	111.6	T309 C311 E316 S322 K323 G324 K369 E370 A373	T309-M320 VanDerWaalsContact CB-SD 3.58Å; T309-M320 HydrophobicContact CG2-SD 4.16Å; T309-M320 PolarHBondContact OG1-SD 2.64Å; T309-M320 VanDerWaalsContact OG1-SD 3.34Å; C311-M320 HydrophobicContact CB-SD 4.11Å; E316-M320 WeakPolarHBondContact O-CG 3.46Å; E316-M320 PolarHBondContact O-N 3.01Å; M320-S322 PolarHBondContact O-N 3.07Å; M320-K323 PolarHBondContact O-N 3.24Å; M320-K323 VanDerWaalsContact O-N 3.08Å; M320-G324 PolarHBondContact O-N 3.48Å; M320-K369 HydrophobicContact CE-CB 4.43Å; M320-K369 HydrophobicContact CE-CD 4.43Å; M320-E370 HydrophobicContact CB-CG 4.5Å; M320-E370 WeakPolarHBondContact O-CB 3.18Å; M320-A373 HydrophobicContact CB-CB 3.67Å
321	A	96.6	Very high	95.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.2	-31.7	179.6	0	0	0	0	0	112.7	A317 L318 K323 G324 A373 R374 L377	A317-A321 WeakPolarHBondContact O-CB 3.39Å; A317-A321 PolarHBondContact O-N 3.11Å; L318-A321 PolarHBondContact O-N 3.21Å; A321-K323 PolarHBondContact O-N 3Å; A321-G324 PolarHBondContact O-N 3.02Å; A321-A373 HydrophobicContact CB-CB 4.08Å; A321-R374 HydrophobicContact CB-CB 4.49Å; A321-R374 VanDerWaalsContact O-CD 3.28Å; A321-R374 WeakPolarHBondContact O-CD 3.41Å; A321-R374 PolarHBondContact O-NH1 3.46Å; A321-L377 HydrophobicContact CB-CB 4.25Å; A321-L377 HydrophobicContact CB-CD2 3.86Å
322	S	93.6	Very high	95.3	Very high	70 Å²	70	49.8 Å²	49.8	49%	0.49	26%	0.255	S	S	.	.	H	α-helix	trans	-64.9	-25.2	177.6	78.5	0	0	0	0	113.6	L318 E319 M320	L318-S322 PolarHBondContact O-N 3.17Å; E319-S322 WeakPolarHBondContact O-CB 3.4Å; E319-S322 PolarHBondContact O-N 3.21Å; E319-S322 PolarHBondContact O-OG 2.94Å; M320-S322 PolarHBondContact O-N 3.07Å
323	K	95.7	Very high	95.7	Very high	132 Å²	132	42 Å²	42	57%	0.574	22%	0.219	S	C	*	.	H	α-helix	trans	-97.5	-16.5	-176.7	-62.1	171	-169.1	169.2	0	113.3	E319 M320 A321 E370	E319-K323 IonicContact OE1-NZ 2.72Å; E319-K323 PolarHBondContact OE1-NZ 3.5Å; M320-K323 PolarHBondContact O-N 3.24Å; M320-K323 VanDerWaalsContact O-N 3.08Å; A321-K323 PolarHBondContact O-N 3Å; K323-E370 HydrophobicContact CB-CB 4.28Å; K323-E370 HydrophobicContact CB-CG 4Å
324	G	96.6	Very high	96.1	Very high	8 Å²	8	43.9 Å²	43.9	8%	0.082	22%	0.221	C	C	.	.			trans	-86.6	164.9	-177.1	0	0	0	0	0	114.7	M320 A321 E370 D371 R374	M320-G324 PolarHBondContact O-N 3.48Å; A321-G324 PolarHBondContact O-N 3.02Å; G324-E370 WeakPolarHBondContact CA-O 3.38Å; G324-D371 WeakPolarHBondContact CA-OD1 3.32Å; G324-R374 WeakPolarHBondContact O-CG 3.45Å; G324-R374 PolarHBondContact O-NH1 3.48Å
325	D	97.1	Very high	96.5	Very high	73 Å²	73	46.3 Å²	46.3	39%	0.39	24%	0.236	S	C	.	.			trans	-119.8	112.6	170.4	-174.9	-12.7	0	0	0	109.8	T327 N328 D371	D325-T327 VanDerWaalsContact CG-OG1 3.24Å; D325-T327 PolarHBondContact O-N 3.31Å; D325-T327 WeakPolarHBondContact OD1-CB 3.33Å; D325-T327 WeakPolarHBondContact OD1-CG2 3.49Å; D325-T327 PolarHBondContact OD1-N 3.04Å; D325-T327 PolarHBondContact OD1-OG1 2.89Å; D325-T327 PolarHBondContact OD2-OG1 2.9Å; D325-N328 PolarHBondContact O-N 2.9Å; D325-D371 PolarHBondContact N-OD1 2.97Å; D325-D371 WeakPolarHBondContact O-CB 3.48Å
326	S	97.6	Very high	96.9	Very high	16 Å²	16	47.9 Å²	47.9	11%	0.112	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-65.7	-21.8	179.8	53.1	0	0	0	0	113.2	N328 V329 D330	S326-N328 PolarHBondContact O-N 3.36Å; S326-V329 PolarHBondContact O-N 3.48Å; S326-D330 WeakPolarHBondContact O-CB 3.5Å; S326-D330 PolarHBondContact O-N 2.83Å
327	T	97.6	Very high	97	Very high	58 Å²	58	50.6 Å²	50.6	36%	0.356	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-69.8	-16.8	-177.3	71.1	0	0	0	0	113.2	D325 V329 L332	D325-T327 VanDerWaalsContact CG-OG1 3.24Å; D325-T327 PolarHBondContact O-N 3.31Å; D325-T327 WeakPolarHBondContact OD1-CB 3.33Å; D325-T327 WeakPolarHBondContact OD1-CG2 3.49Å; D325-T327 PolarHBondContact OD1-N 3.04Å; D325-T327 PolarHBondContact OD1-OG1 2.89Å; D325-T327 PolarHBondContact OD2-OG1 2.9Å; T327-V329 VanDerWaalsContact C-N 3.28Å; T327-L332 HydrophobicContact CG2-CD1 3.92Å
328	N	97.8	Very high	97.1	Very high	69 Å²	69	54.1 Å²	54.1	37%	0.369	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-71.1	-25.9	169.7	-66.8	-27.8	0	0	0	112.3	D325 S326 I367 D371	D325-N328 PolarHBondContact O-N 2.9Å; S326-N328 PolarHBondContact O-N 3.36Å; N328-I367 HydrophobicContact CB-CD1 3.54Å; N328-D371 HydrophobicContact CB-CB 4.47Å; N328-D371 PolarHBondContact ND2-OD2 2.91Å
329	V	98.5	Very high	97.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-44.2	-175.1	-179.2	0	0	0	0	112.1	S326 T327 F355 G356 H357 M358 I367 D371 L372 A375	S326-V329 PolarHBondContact O-N 3.48Å; T327-V329 VanDerWaalsContact C-N 3.28Å; V329-F355 HydrophobicContact CG1-CB 4.28Å; V329-F355 HydrophobicContact CG1-CD1 3.4Å; V329-F355 VanDerWaalsContact CG1-CD1 3.4Å; V329-F355 HydrophobicContact CG1-CE1 3.8Å; V329-F355 HydrophobicContact CG1-CG 3.88Å; V329-F355 CarbonylContact O-C 3.32Å; V329-F355 WeakPolarHBondContact O-CA 3.23Å; V329-G356 PolarHBondContact O-N 2.81Å; V329-H357 WeakPolarHBondContact O-CB 3.37Å; V329-H357 PolarHBondContact O-N 3.04Å; V329-M358 HydrophobicContact CG1-CE 4.44Å; V329-M358 HydrophobicContact CG1-CG 3.84Å; V329-M358 HydrophobicContact CG1-SD 4.09Å; V329-I367 HydrophobicContact CG2-CD1 3.49Å; V329-I367 VanDerWaalsContact CG2-CD1 3.49Å; V329-I367 HydrophobicContact CG2-CG1 3.81Å; V329-D371 HydrophobicContact CG2-CB 3.9Å; V329-L372 HydrophobicContact CG1-CD2 4.25Å; V329-L372 HydrophobicContact CG2-CD2 4.15Å; V329-A375 HydrophobicContact CB-CB 3.53Å; V329-A375 HydrophobicContact CG1-CB 3.47Å; V329-A375 VanDerWaalsContact CG1-CB 3.47Å; V329-A375 HydrophobicContact CG2-CB 3.84Å
330	D	98.5	Very high	97.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.301	C	S	.	.	S	Bend	trans	-87	140.7	-172.9	-67.9	-25.9	0	0	0	111.6	S326 L332 V351 S354 F355 H357	S326-D330 WeakPolarHBondContact O-CB 3.5Å; S326-D330 PolarHBondContact O-N 2.83Å; D330-L332 HydrophobicContact CB-CD2 4.49Å; D330-V351 HydrophobicContact CB-CG1 4.1Å; D330-V351 HydrophobicContact CB-CG2 4.23Å; D330-S354 VanDerWaalsContact OD1-CA 3.31Å; D330-S354 WeakPolarHBondContact OD1-CA 3.23Å; D330-F355 PolarHBondContact OD1-N 3.17Å; D330-H357 VanDerWaalsContact C-CD2 3.47Å; D330-H357 PolarHBondContact O-CD2 3.19Å; D330-H357 PolarHBondContact O-NE2 2.89Å; D330-H357 VanDerWaalsContact O-NE2 3.1Å
331	K	98.4	Very high	97.3	Very high	72 Å²	72	56 Å²	56	31%	0.313	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	120.7	171.2	-172.7	173.3	-65.8	-178.4	0	109.6	D335 I336 A352 S353 G356	K331-D335 HydrophobicContact CG-CB 3.88Å; K331-I336 HydrophobicContact CD-CD1 4.2Å; K331-I336 HydrophobicContact CD-CG1 3.98Å; K331-I336 HydrophobicContact CG-CD1 4.41Å; K331-I336 HydrophobicContact CG-CG1 4.19Å; K331-A352 PolarHBondContact O-N 3.07Å; K331-S353 PolarHBondContact N-O 2.85Å; K331-S353 PolarHBondContact O-N 2.55Å; K331-G356 WeakPolarHBondContact CE-O 3.48Å
332	L	98.4	Very high	97.3	Very high	6 Å²	6	64 Å²	64	3%	0.031	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	165.3	-177.9	-53.6	-177.9	0	0	0	111.5	T327 D330 K334 D335 A350 V351	T327-L332 HydrophobicContact CG2-CD1 3.92Å; D330-L332 HydrophobicContact CB-CD2 4.49Å; L332-K334 VanDerWaalsContact C-N 3.27Å; L332-K334 HydrophobicContact CB-CG 4.14Å; L332-K334 PolarHBondContact O-N 3.37Å; L332-D335 PolarHBondContact N-OD2 3.37Å; L332-D335 WeakPolarHBondContact O-CB 3.47Å; L332-D335 PolarHBondContact O-N 3.49Å; L332-D335 VanDerWaalsContact O-N 3.09Å; L332-A350 CarbonylContact C-O 3.59Å; L332-A350 VanDerWaalsContact CA-O 3.31Å; L332-A350 WeakPolarHBondContact CA-O 3.49Å; L332-V351 HydrophobicContact CD2-CB 4.45Å; L332-V351 HydrophobicContact CD2-CG2 3.88Å
333	V	97.9	Very high	97.4	Very high	7 Å²	7	70.3 Å²	70.3	4%	0.042	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-42.4	175.5	171.4	0	0	0	0	110.9	D335 I336 Y337 L346 Q347 G348 A350 A352	V333-D335 PolarHBondContact O-N 3.28Å; V333-I336 PolarHBondContact O-N 2.84Å; V333-Y337 HydrophobicContact CG1-CD2 3.99Å; V333-Y337 PolarHBondContact O-N 3.32Å; V333-L346 HydrophobicContact CG2-CB 4.29Å; V333-Q347 WeakPolarHBondContact CB-O 3.37Å; V333-G348 PolarHBondContact N-O 3.41Å; V333-A350 HydrophobicContact CG2-CB 4.12Å; V333-A350 PolarHBondContact N-O 2.9Å; V333-A352 HydrophobicContact CG2-CB 4.05Å
334	K	98.3	Very high	97.2	Very high	105 Å²	105	70.1 Å²	70.1	46%	0.457	36%	0.356	S	S	.	.	H	α-helix	trans	-63.5	-25.3	177.7	69.8	-176.3	176.2	176.2	0	113.9	L332 I336 G338 G339 G348	L332-K334 VanDerWaalsContact C-N 3.27Å; L332-K334 HydrophobicContact CB-CG 4.14Å; L332-K334 PolarHBondContact O-N 3.37Å; K334-I336 PolarHBondContact O-N 3.22Å; K334-G338 WeakPolarHBondContact O-CA 3.28Å; K334-G338 PolarHBondContact O-N 2.9Å; K334-G339 WeakPolarHBondContact CA-O 3.38Å; K334-G348 WeakPolarHBondContact CB-O 3.35Å; K334-G348 VanDerWaalsContact CG-O 3.27Å; K334-G348 WeakPolarHBondContact CG-O 3.41Å; K334-G348 PolarHBondContact N-O 2.99Å
335	D	97.6	Very high	96.9	Very high	75 Å²	75	72.2 Å²	72.2	40%	0.401	38%	0.378	S	S	.	.	H	α-helix	trans	-73.2	-15.9	177.3	-58.1	-28.1	0	0	0	112	K331 L332 V333 H357	K331-D335 HydrophobicContact CG-CB 3.88Å; L332-D335 PolarHBondContact N-OD2 3.37Å; L332-D335 WeakPolarHBondContact O-CB 3.47Å; L332-D335 PolarHBondContact O-N 3.49Å; L332-D335 VanDerWaalsContact O-N 3.09Å; V333-D335 PolarHBondContact O-N 3.28Å; D335-H357 IonicContact OD2-CE1 3.35Å; D335-H357 PolarHBondContact OD2-CE1 3.45Å; D335-H357 VanDerWaalsContact OD2-CE1 3.31Å; D335-H357 IonicContact OD2-NE2 2.7Å; D335-H357 PolarHBondContact OD2-NE2 3.02Å
336	I	97.8	Very high	96.6	Very high	99 Å²	99	71.4 Å²	71.4	51%	0.508	37%	0.373	S	S	.	.	H	α-helix	trans	-105.1	-45.8	178.9	-57.2	173.7	0	0	0	110.6	K331 V333 K334 A352	K331-I336 HydrophobicContact CD-CD1 4.2Å; K331-I336 HydrophobicContact CD-CG1 3.98Å; K331-I336 HydrophobicContact CG-CD1 4.41Å; K331-I336 HydrophobicContact CG-CG1 4.19Å; V333-I336 PolarHBondContact O-N 2.84Å; K334-I336 PolarHBondContact O-N 3.22Å; I336-A352 HydrophobicContact CD1-CB 3.71Å
337	Y	97.2	Very high	96.4	Very high	125 Å²	125	74.2 Å²	74.2	49%	0.49	38%	0.384	S	S	.	.	H	α-helix	trans	-100.5	-8.6	-172	-71.8	-92.7	0	0	0	114	V333 G339 Y341	V333-Y337 HydrophobicContact CG1-CD2 3.99Å; V333-Y337 PolarHBondContact O-N 3.32Å; Y337-G339 PolarHBondContact O-N 3.1Å; Y337-Y341 HydrophobicContact CD1-CD2 4.27Å; Y337-Y341 HydrophobicContact CD1-CG 4.28Å; Y337-Y341 HydrophobicContact CE1-CD1 4.1Å; Y337-Y341 AromaticContact CE1-CD2 3.93Å; Y337-Y341 HydrophobicContact CE1-CD2 3.93Å; Y337-Y341 HydrophobicContact CE1-CE1 4.23Å; Y337-Y341 HydrophobicContact CE1-CE2 4.07Å; Y337-Y341 AromaticContact CE1-CG 3.95Å; Y337-Y341 HydrophobicContact CE1-CG 3.95Å; Y337-Y341 HydrophobicContact CE2-CD1 4.08Å; Y337-Y341 HydrophobicContact CE2-CG 4.36Å; Y337-Y341 AromaticContact CZ-CD1 3.71Å; Y337-Y341 AromaticContact CZ-CE1 3.84Å; Y337-Y341 AromaticContact CZ-CG 4Å; Y337-Y341 WeakPolarHBondContact OH-CE1 3.24Å
338	G	97.4	Very high	96.3	Very high	74 Å²	74	71.6 Å²	71.6	76%	0.763	37%	0.369	S	S	*	.	S	Bend	trans	75.2	3.2	-174.5	0	0	0	0	0	114.8	K334	K334-G338 WeakPolarHBondContact O-CA 3.28Å; K334-G338 PolarHBondContact O-N 2.9Å
339	G	97.1	Very high	96.1	Very high	27 Å²	27	72 Å²	72	28%	0.278	38%	0.377	S	S	.	.	S	Bend	trans	178.3	-147.8	-177.3	0	0	0	0	0	111.2	K334 Y337 G348	K334-G339 WeakPolarHBondContact CA-O 3.38Å; Y337-G339 PolarHBondContact O-N 3.1Å; G339-G348 WeakPolarHBondContact O-CA 3.42Å
340	D	97.4	Very high	95.8	Very high	100 Å²	100	73.1 Å²	73.1	54%	0.535	39%	0.386	S	S	.	.			trans	-72.3	150.4	173.6	-68.5	-1.3	0	0	0	111.2	E342 G348	D340-E342 PolarHBondContact O-N 3.4Å; D340-G348 PolarHBondContact OD1-N 3.19Å
341	Y	96.7	Very high	95.7	Very high	59 Å²	59	75.5 Å²	75.5	23%	0.231	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-94.2	83.5	165.7	-175.6	-166.7	0	0	0	109.7	Y337 R343 F344 G345 L346	Y337-Y341 HydrophobicContact CD1-CD2 4.27Å; Y337-Y341 HydrophobicContact CD1-CG 4.28Å; Y337-Y341 HydrophobicContact CE1-CD1 4.1Å; Y337-Y341 AromaticContact CE1-CD2 3.93Å; Y337-Y341 HydrophobicContact CE1-CD2 3.93Å; Y337-Y341 HydrophobicContact CE1-CE1 4.23Å; Y337-Y341 HydrophobicContact CE1-CE2 4.07Å; Y337-Y341 AromaticContact CE1-CG 3.95Å; Y337-Y341 HydrophobicContact CE1-CG 3.95Å; Y337-Y341 HydrophobicContact CE2-CD1 4.08Å; Y337-Y341 HydrophobicContact CE2-CG 4.36Å; Y337-Y341 AromaticContact CZ-CD1 3.71Å; Y337-Y341 AromaticContact CZ-CE1 3.84Å; Y337-Y341 AromaticContact CZ-CG 4Å; Y337-Y341 WeakPolarHBondContact OH-CE1 3.24Å; Y341-R343 VanDerWaalsContact C-N 3.34Å; Y341-R343 HydrophobicContact CD2-CB 4.22Å; Y341-R343 HydrophobicContact CE2-CB 3.72Å; Y341-R343 PolarHBondContact O-N 3.25Å; Y341-F344 HydrophobicContact CD1-CD2 4.33Å; Y341-F344 AromaticContact CE1-CD2 3.61Å; Y341-F344 HydrophobicContact CE1-CD2 3.61Å; Y341-F344 HydrophobicContact CE1-CE2 4.19Å; Y341-F344 HydrophobicContact CE2-CD2 4.15Å; Y341-F344 AromaticContact CZ-CD2 3.51Å; Y341-F344 AromaticContact CZ-CE2 3.81Å; Y341-F344 PolarHBondContact O-N 3.35Å; Y341-F344 WeakPolarHBondContact OH-CE2 3.3Å; Y341-G345 PolarHBondContact O-N 3.44Å; Y341-G345 VanDerWaalsContact O-N 3.15Å; Y341-L346 HydrophobicContact CD1-CD1 4.15Å; Y341-L346 PolarHBondContact N-O 2.88Å; Y341-L346 PolarHBondContact O-N 3.42Å
342	E	95.3	Very high	95.6	Very high	170 Å²	170	74.6 Å²	74.6	79%	0.794	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-56.4	-41	-169.1	-64.1	-174.9	165	0	0	114	D340 F344 G345	D340-E342 PolarHBondContact O-N 3.4Å; E342-F344 PolarHBondContact O-N 3.45Å; E342-G345 PolarHBondContact O-N 2.9Å
343	R	95.6	Very high	95.6	Very high	202 Å²	202	77 Å²	77	76%	0.762	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-53.8	-34.9	-175.1	-177.5	176.5	177.6	177.9	1.1	113.2	Y341	Y341-R343 VanDerWaalsContact C-N 3.34Å; Y341-R343 HydrophobicContact CD2-CB 4.22Å; Y341-R343 HydrophobicContact CE2-CB 3.72Å; Y341-R343 PolarHBondContact O-N 3.25Å
344	F	92.9	Very high	95.6	Very high	128 Å²	128	79 Å²	79	56%	0.561	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-117.7	10	-179.6	-62.7	-72.1	0	0	0	112.9	Y341 E342 L346	Y341-F344 HydrophobicContact CD1-CD2 4.33Å; Y341-F344 AromaticContact CE1-CD2 3.61Å; Y341-F344 HydrophobicContact CE1-CD2 3.61Å; Y341-F344 HydrophobicContact CE1-CE2 4.19Å; Y341-F344 HydrophobicContact CE2-CD2 4.15Å; Y341-F344 AromaticContact CZ-CD2 3.51Å; Y341-F344 AromaticContact CZ-CE2 3.81Å; Y341-F344 PolarHBondContact O-N 3.35Å; Y341-F344 WeakPolarHBondContact OH-CE2 3.3Å; E342-F344 PolarHBondContact O-N 3.45Å; F344-L346 VanDerWaalsContact C-N 3.34Å; F344-L346 PolarHBondContact O-N 2.83Å
345	G	89.5	Confident	95.6	Very high	52 Å²	52	76.5 Å²	76.5	54%	0.536	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	33.8	176.9	0	0	0	0	0	114.3	Y341 E342	Y341-G345 PolarHBondContact O-N 3.44Å; Y341-G345 VanDerWaalsContact O-N 3.15Å; E342-G345 PolarHBondContact O-N 2.9Å
346	L	91.4	Very high	95.7	Very high	55 Å²	55	73.3 Å²	73.3	29%	0.288	41%	0.413	S	S	.	.	B	Isolated β-bridge	trans	-89.6	117.2	174.5	-59.2	174.5	0	0	0	109.7	V333 Y341 F344 W424	V333-L346 HydrophobicContact CG2-CB 4.29Å; Y341-L346 HydrophobicContact CD1-CD1 4.15Å; Y341-L346 PolarHBondContact N-O 2.88Å; Y341-L346 PolarHBondContact O-N 3.42Å; F344-L346 VanDerWaalsContact C-N 3.34Å; F344-L346 PolarHBondContact O-N 2.83Å; L346-W424 HydrophobicContact CD2-CH2 3.72Å; L346-W424 HydrophobicContact CD2-CZ3 3.87Å
347	Q	92.8	Very high	95.7	Very high	76 Å²	76	69.9 Å²	69.9	36%	0.355	39%	0.394	S	S	.	.			trans	-62.7	143.4	176.6	-66.8	-176.4	-21.5	0	0	111	V333 S349 A350 F423	V333-Q347 WeakPolarHBondContact CB-O 3.37Å; Q347-S349 PolarHBondContact O-N 2.81Å; Q347-A350 WeakPolarHBondContact O-CB 3.47Å; Q347-A350 PolarHBondContact O-N 2.94Å; Q347-F423 HydrophobicContact CG-CZ 4.14Å
348	G	95.4	Very high	95.8	Very high	3 Å²	3	65.2 Å²	65.2	3%	0.031	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.4	179.6	0	0	0	0	0	113.3	V333 K334 G339 D340 A350	V333-G348 PolarHBondContact N-O 3.41Å; K334-G348 WeakPolarHBondContact CB-O 3.35Å; K334-G348 VanDerWaalsContact CG-O 3.27Å; K334-G348 WeakPolarHBondContact CG-O 3.41Å; K334-G348 PolarHBondContact N-O 2.99Å; G339-G348 WeakPolarHBondContact O-CA 3.42Å; D340-G348 PolarHBondContact OD1-N 3.19Å; G348-A350 VanDerWaalsContact C-N 3.32Å
349	S	93.8	Very high	95.7	Very high	77 Å²	77	69.9 Å²	69.9	54%	0.538	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-13.1	173.7	54.2	0	0	0	0	114.1	Q347	Q347-S349 PolarHBondContact O-N 2.81Å
350	A	92.7	Very high	95.7	Very high	23 Å²	23	71 Å²	71	19%	0.19	38%	0.384	C	S	.	.	S	Bend	trans	-68.7	143.1	179	0	0	0	0	0	110.9	L332 V333 Q347 G348 A352	L332-A350 CarbonylContact C-O 3.59Å; L332-A350 VanDerWaalsContact CA-O 3.31Å; L332-A350 WeakPolarHBondContact CA-O 3.49Å; V333-A350 HydrophobicContact CG2-CB 4.12Å; V333-A350 PolarHBondContact N-O 2.9Å; Q347-A350 WeakPolarHBondContact O-CB 3.47Å; Q347-A350 PolarHBondContact O-N 2.94Å; G348-A350 VanDerWaalsContact C-N 3.32Å; A350-A352 PolarHBondContact O-N 2.94Å
351	V	96.1	Very high	95.7	Very high	51 Å²	51	72.2 Å²	72.2	31%	0.309	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	120.3	174.2	177.7	0	0	0	0	109	D330 L332	D330-V351 HydrophobicContact CB-CG1 4.1Å; D330-V351 HydrophobicContact CB-CG2 4.23Å; L332-V351 HydrophobicContact CD2-CB 4.45Å; L332-V351 HydrophobicContact CD2-CG2 3.88Å
352	A	96.6	Very high	95.7	Very high	52 Å²	52	76 Å²	76	43%	0.43	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-38.4	173.8	0	0	0	0	0	111.4	K331 V333 I336 A350	K331-A352 PolarHBondContact O-N 3.07Å; V333-A352 HydrophobicContact CG2-CB 4.05Å; I336-A352 HydrophobicContact CD1-CB 3.71Å; A350-A352 PolarHBondContact O-N 2.94Å
353	S	98.3	Very high	95.7	Very high	58 Å²	58	71.9 Å²	71.9	41%	0.406	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	107.9	176.4	-179.5	0	0	0	0	110.4	K331 F355 G356	K331-S353 PolarHBondContact N-O 2.85Å; K331-S353 PolarHBondContact O-N 2.55Å; S353-F355 PolarHBondContact O-N 3.35Å; S353-G356 WeakPolarHBondContact O-CA 3.45Å; S353-G356 PolarHBondContact O-N 2.99Å
354	S	98.4	Very high	95.8	Very high	49 Å²	49	67.6 Å²	67.6	34%	0.343	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	134.7	169.2	-69.8	0	0	0	0	110.9	D330 G356 T379	D330-S354 VanDerWaalsContact OD1-CA 3.31Å; D330-S354 WeakPolarHBondContact OD1-CA 3.23Å; S354-G356 PolarHBondContact O-N 2.88Å; S354-T379 WeakPolarHBondContact CB-OG1 3.37Å; S354-T379 WeakPolarHBondContact OG-CG2 3.39Å; S354-T379 PolarHBondContact OG-OG1 2.83Å
355	F	98.6	Very high	96	Very high	51 Å²	51	67.2 Å²	67.2	22%	0.224	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	15.7	-174.4	-63.3	-99.8	0	0	0	115.2	L308 V329 D330 S353 H357 M358 L372 A375 T376	L308-F355 HydrophobicContact CD1-CE1 4.15Å; V329-F355 HydrophobicContact CG1-CB 4.28Å; V329-F355 HydrophobicContact CG1-CD1 3.4Å; V329-F355 VanDerWaalsContact CG1-CD1 3.4Å; V329-F355 HydrophobicContact CG1-CE1 3.8Å; V329-F355 HydrophobicContact CG1-CG 3.88Å; V329-F355 CarbonylContact O-C 3.32Å; V329-F355 WeakPolarHBondContact O-CA 3.23Å; D330-F355 PolarHBondContact OD1-N 3.17Å; S353-F355 PolarHBondContact O-N 3.35Å; F355-H357 VanDerWaalsContact C-N 3.26Å; F355-H357 PolarHBondContact O-N 3.27Å; F355-M358 HydrophobicContact CB-CG 4.21Å; F355-M358 HydrophobicContact CD1-CG 4.15Å; F355-M358 WeakPolarHBondContact O-CB 3.34Å; F355-M358 PolarHBondContact O-N 2.68Å; F355-L372 HydrophobicContact CE1-CD2 4.14Å; F355-A375 HydrophobicContact CE1-CB 4.23Å; F355-A375 HydrophobicContact CE2-CB 4.28Å; F355-A375 HydrophobicContact CZ-CB 3.95Å; F355-T376 WeakPolarHBondContact CZ-OG1 3.42Å
356	G	98.4	Very high	96.3	Very high	9 Å²	9	69.2 Å²	69.2	9%	0.093	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.3	-171.4	0	0	0	0	0	115.2	V329 K331 S353 S354	V329-G356 PolarHBondContact O-N 2.81Å; K331-G356 WeakPolarHBondContact CE-O 3.48Å; S353-G356 WeakPolarHBondContact O-CA 3.45Å; S353-G356 PolarHBondContact O-N 2.99Å; S354-G356 PolarHBondContact O-N 2.88Å
357	H	98.3	Very high	96.6	Very high	27 Å²	27	68.3 Å²	68.3	13%	0.125	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-18.9	173.4	-71	-46.9	0	0	0	112.8	V329 D330 D335 F355 M359 C360 K363	V329-H357 WeakPolarHBondContact O-CB 3.37Å; V329-H357 PolarHBondContact O-N 3.04Å; D330-H357 VanDerWaalsContact C-CD2 3.47Å; D330-H357 PolarHBondContact O-CD2 3.19Å; D330-H357 PolarHBondContact O-NE2 2.89Å; D330-H357 VanDerWaalsContact O-NE2 3.1Å; D335-H357 IonicContact OD2-CE1 3.35Å; D335-H357 PolarHBondContact OD2-CE1 3.45Å; D335-H357 VanDerWaalsContact OD2-CE1 3.31Å; D335-H357 IonicContact OD2-NE2 2.7Å; D335-H357 PolarHBondContact OD2-NE2 3.02Å; F355-H357 VanDerWaalsContact C-N 3.26Å; F355-H357 PolarHBondContact O-N 3.27Å; H357-M359 PolarHBondContact O-N 2.83Å; H357-C360 PolarHBondContact O-N 2.96Å; H357-C360 VanDerWaalsContact O-N 3.08Å; H357-K363 HydrophobicContact CB-CB 4.46Å; H357-K363 HydrophobicContact CB-CD 4.19Å; H357-K363 HydrophobicContact CB-CG 4.25Å
358	M	98.3	Very high	96.8	Very high	27 Å²	27	66.5 Å²	66.5	13%	0.133	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-3.6	-173.9	-57.9	-62.3	88.8	0	0	113.9	V329 F355 C360 K363 R364 I367 L372	V329-M358 HydrophobicContact CG1-CE 4.44Å; V329-M358 HydrophobicContact CG1-CG 3.84Å; V329-M358 HydrophobicContact CG1-SD 4.09Å; F355-M358 HydrophobicContact CB-CG 4.21Å; F355-M358 HydrophobicContact CD1-CG 4.15Å; F355-M358 WeakPolarHBondContact O-CB 3.34Å; F355-M358 PolarHBondContact O-N 2.68Å; M358-C360 VanDerWaalsContact C-N 3.31Å; M358-K363 HydrophobicContact CE-CB 4.19Å; M358-R364 HydrophobicContact CB-CG 4.3Å; M358-R364 WeakPolarHBondContact O-CD 3.4Å; M358-R364 VanDerWaalsContact O-CG 3.31Å; M358-R364 WeakPolarHBondContact O-CG 3.11Å; M358-R364 PolarHBondContact O-NH1 2.93Å; M358-R364 HydrophobicContact SD-CG 4.22Å; M358-I367 HydrophobicContact SD-CG2 4.5Å; M358-L372 HydrophobicContact SD-CD2 4.13Å
359	M	96.7	Very high	97	Very high	171 Å²	171	71.5 Å²	71.5	84%	0.842	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-26.1	170	-58.4	-60.3	-92.3	0	0	112	H357 R364	H357-M359 PolarHBondContact O-N 2.83Å; M359-R364 VanDerWaalsContact C-NH1 3.32Å; M359-R364 PolarHBondContact O-NH1 3.11Å
360	C	97.1	Very high	97.2	Very high	50 Å²	50	71 Å²	71	34%	0.338	38%	0.378	S	S	.	.	S	Bend	trans	-82.6	128.6	176.8	165.9	0	0	0	0	110.7	H357 M358 E362 K363 R364	H357-C360 PolarHBondContact O-N 2.96Å; H357-C360 VanDerWaalsContact O-N 3.08Å; M358-C360 VanDerWaalsContact C-N 3.31Å; C360-E362 PolarHBondContact SG-OE2 3.26Å; C360-K363 HydrophobicContact CB-CB 4Å; C360-K363 HydrophobicContact CB-CG 3.93Å; C360-K363 PolarHBondContact O-N 3.05Å; C360-K363 PolarHBondContact SG-N 2.91Å; C360-R364 WeakPolarHBondContact O-CG 3.41Å; C360-R364 PolarHBondContact O-N 3.31Å; C360-R364 VanDerWaalsContact O-N 3.16Å
361	K	97.1	Very high	97.5	Very high	126 Å²	126	70.7 Å²	70.7	55%	0.548	37%	0.373	S	S	.	.	H	α-helix	trans	-66.8	-44.2	-177.6	-175.2	-178.4	173.4	-173.5	0	111.2	K363 R364 D365	K361-K363 VanDerWaalsContact C-N 3.27Å; K361-K363 PolarHBondContact O-N 2.86Å; K361-R364 WeakPolarHBondContact O-CB 3.04Å; K361-R364 PolarHBondContact O-N 3.06Å; K361-D365 VanDerWaalsContact O-CG 3.32Å; K361-D365 PolarHBondContact O-N 3.44Å
362	E	96.6	Very high	97.6	Very high	139 Å²	139	69.2 Å²	69.2	65%	0.65	36%	0.364	S	S	*	.	H	α-helix	trans	-59.4	-40.4	-179.6	-59.9	75.8	-165	0	0	111.2	C360 D365 S366	C360-E362 PolarHBondContact SG-OE2 3.26Å; E362-D365 PolarHBondContact O-N 2.95Å; E362-S366 PolarHBondContact O-N 2.78Å; E362-S366 PolarHBondContact O-OG 2.82Å
363	K	96.3	Very high	97.7	Very high	84 Å²	84	66.8 Å²	66.8	37%	0.365	34%	0.343	S	S	.	.	H	α-helix	trans	-63.2	-42.9	173.9	-75.8	-80.4	-172.8	179.1	0	112.2	H357 M358 C360 K361 D365 S366 I367	H357-K363 HydrophobicContact CB-CB 4.46Å; H357-K363 HydrophobicContact CB-CD 4.19Å; H357-K363 HydrophobicContact CB-CG 4.25Å; M358-K363 HydrophobicContact CE-CB 4.19Å; C360-K363 HydrophobicContact CB-CB 4Å; C360-K363 HydrophobicContact CB-CG 3.93Å; C360-K363 PolarHBondContact O-N 3.05Å; C360-K363 PolarHBondContact SG-N 2.91Å; K361-K363 VanDerWaalsContact C-N 3.27Å; K361-K363 PolarHBondContact O-N 2.86Å; K363-D365 VanDerWaalsContact C-N 3.3Å; K363-D365 PolarHBondContact O-N 3Å; K363-S366 PolarHBondContact O-N 2.73Å; K363-S366 PolarHBondContact O-OG 2.86Å; K363-I367 PolarHBondContact O-N 3.38Å
364	R	97.6	Very high	97.7	Very high	112 Å²	112	67 Å²	67	42%	0.423	34%	0.335	S	S	.	.	H	α-helix	trans	-64.6	-35.1	176.1	-70.3	-167.1	-58.4	-88.6	1.4	112.1	M358 M359 C360 K361 S366 I367	M358-R364 HydrophobicContact CB-CG 4.3Å; M358-R364 WeakPolarHBondContact O-CD 3.4Å; M358-R364 VanDerWaalsContact O-CG 3.31Å; M358-R364 WeakPolarHBondContact O-CG 3.11Å; M358-R364 PolarHBondContact O-NH1 2.93Å; M358-R364 HydrophobicContact SD-CG 4.22Å; M359-R364 VanDerWaalsContact C-NH1 3.32Å; M359-R364 PolarHBondContact O-NH1 3.11Å; C360-R364 WeakPolarHBondContact O-CG 3.41Å; C360-R364 PolarHBondContact O-N 3.31Å; C360-R364 VanDerWaalsContact O-N 3.16Å; K361-R364 WeakPolarHBondContact O-CB 3.04Å; K361-R364 PolarHBondContact O-N 3.06Å; R364-S366 VanDerWaalsContact C-N 3.25Å; R364-S366 PolarHBondContact O-N 3.2Å; R364-I367 VanDerWaalsContact O-CG2 3.24Å; R364-I367 WeakPolarHBondContact O-CG2 3.36Å
365	D	96.6	Very high	97.7	Very high	119 Å²	119	64.6 Å²	64.6	64%	0.636	32%	0.319	S	S	*	.	H	α-helix	trans	-74	-18.8	-178.8	-65.5	-15.7	0	0	0	112.1	K361 E362 K363	K361-D365 VanDerWaalsContact O-CG 3.32Å; K361-D365 PolarHBondContact O-N 3.44Å; E362-D365 PolarHBondContact O-N 2.95Å; K363-D365 VanDerWaalsContact C-N 3.3Å; K363-D365 PolarHBondContact O-N 3Å
366	S	95.4	Very high	97.7	Very high	95 Å²	95	62.2 Å²	62.2	66%	0.664	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-7.1	179.4	63.2	0	0	0	0	115.5	E362 K363 R364	E362-S366 PolarHBondContact O-N 2.78Å; E362-S366 PolarHBondContact O-OG 2.82Å; K363-S366 PolarHBondContact O-N 2.73Å; K363-S366 PolarHBondContact O-OG 2.86Å; R364-S366 VanDerWaalsContact C-N 3.25Å; R364-S366 PolarHBondContact O-N 3.2Å
367	I	97.4	Very high	97.7	Very high	36 Å²	36	61.9 Å²	61.9	19%	0.185	31%	0.305	C	S	.	.			trans	-82.5	142.1	-168.7	-165.4	60.7	0	0	0	113	N328 V329 M358 K363 R364 D371 L372	N328-I367 HydrophobicContact CB-CD1 3.54Å; V329-I367 HydrophobicContact CG2-CD1 3.49Å; V329-I367 VanDerWaalsContact CG2-CD1 3.49Å; V329-I367 HydrophobicContact CG2-CG1 3.81Å; M358-I367 HydrophobicContact SD-CG2 4.5Å; K363-I367 PolarHBondContact O-N 3.38Å; R364-I367 VanDerWaalsContact O-CG2 3.24Å; R364-I367 WeakPolarHBondContact O-CG2 3.36Å; I367-D371 HydrophobicContact CD1-CB 3.35Å; I367-D371 WeakPolarHBondContact CD1-OD2 3.25Å; I367-D371 HydrophobicContact CG1-CB 3.96Å; I367-L372 HydrophobicContact CG1-CD2 4.27Å; I367-L372 HydrophobicContact CG1-CG 4.07Å; I367-L372 HydrophobicContact CG2-CD1 4.26Å; I367-L372 HydrophobicContact CG2-CG 4.41Å
368	S	98.3	Very high	97.6	Very high	38 Å²	38	61.4 Å²	61.4	27%	0.266	30%	0.303	S	S	.	.			trans	-85.7	160.3	172.1	73.6	0	0	0	0	112.2	E370 D371 L372	S368-E370 VanDerWaalsContact C-N 3.27Å; S368-E370 WeakPolarHBondContact CB-OE2 3.18Å; S368-D371 PolarHBondContact O-N 3.13Å; S368-D371 WeakPolarHBondContact OG-CB 3.35Å; S368-D371 PolarHBondContact OG-N 3.44Å; S368-D371 PolarHBondContact OG-OD1 3.1Å; S368-D371 PolarHBondContact OG-OD2 2.84Å; S368-L372 PolarHBondContact O-N 3.07Å
369	K	98.5	Very high	97.6	Very high	108 Å²	108	61.6 Å²	61.6	47%	0.47	31%	0.306	S	S	.	.	H	α-helix	trans	-66.6	-36.2	173.9	-73.1	179.9	170.4	-164.4	0	111	T309 M320 D371 L372 A373	T309-K369 HydrophobicContact CG2-CB 4.08Å; T309-K369 VanDerWaalsContact CG2-O 3.23Å; T309-K369 WeakPolarHBondContact CG2-O 3.5Å; T309-K369 VanDerWaalsContact O-CD 3.27Å; T309-K369 WeakPolarHBondContact O-CD 3.48Å; T309-K369 WeakPolarHBondContact O-CE 3.12Å; T309-K369 PolarHBondContact O-NZ 2.88Å; M320-K369 HydrophobicContact CE-CB 4.43Å; M320-K369 HydrophobicContact CE-CD 4.43Å; K369-D371 VanDerWaalsContact C-N 3.34Å; K369-L372 PolarHBondContact O-N 3.5Å; K369-A373 PolarHBondContact O-N 3.11Å
370	E	98.6	Very high	97.7	Very high	65 Å²	65	53.8 Å²	53.8	30%	0.304	27%	0.267	S	S	.	.	H	α-helix	trans	-60.6	-43.4	177.4	-66.4	73.2	-165.1	0	0	110.9	M320 K323 G324 S368 A373 R374	M320-E370 HydrophobicContact CB-CG 4.5Å; M320-E370 WeakPolarHBondContact O-CB 3.18Å; K323-E370 HydrophobicContact CB-CB 4.28Å; K323-E370 HydrophobicContact CB-CG 4Å; G324-E370 WeakPolarHBondContact CA-O 3.38Å; S368-E370 VanDerWaalsContact C-N 3.27Å; S368-E370 WeakPolarHBondContact CB-OE2 3.18Å; E370-A373 PolarHBondContact O-N 3.49Å; E370-R374 WeakPolarHBondContact O-CB 3.33Å; E370-R374 PolarHBondContact O-N 3.27Å
371	D	98.4	Very high	97.8	Very high	17 Å²	17	51.4 Å²	51.4	9%	0.091	25%	0.251	C	S	.	.	H	α-helix	trans	-64.5	-40.9	176.4	-63.3	-22.6	0	0	0	111.7	G324 D325 N328 V329 I367 S368 K369 R374 A375	G324-D371 WeakPolarHBondContact CA-OD1 3.32Å; D325-D371 PolarHBondContact N-OD1 2.97Å; D325-D371 WeakPolarHBondContact O-CB 3.48Å; N328-D371 HydrophobicContact CB-CB 4.47Å; N328-D371 PolarHBondContact ND2-OD2 2.91Å; V329-D371 HydrophobicContact CG2-CB 3.9Å; I367-D371 HydrophobicContact CD1-CB 3.35Å; I367-D371 WeakPolarHBondContact CD1-OD2 3.25Å; I367-D371 HydrophobicContact CG1-CB 3.96Å; S368-D371 PolarHBondContact O-N 3.13Å; S368-D371 WeakPolarHBondContact OG-CB 3.35Å; S368-D371 PolarHBondContact OG-N 3.44Å; S368-D371 PolarHBondContact OG-OD1 3.1Å; S368-D371 PolarHBondContact OG-OD2 2.84Å; K369-D371 VanDerWaalsContact C-N 3.34Å; D371-R374 PolarHBondContact O-N 3.43Å; D371-A375 WeakPolarHBondContact O-CB 3.5Å; D371-A375 PolarHBondContact O-N 2.89Å
372	L	98.7	Very high	97.7	Very high	21 Å²	21	47.8 Å²	47.8	11%	0.11	24%	0.238	C	C	.	.	H	α-helix	trans	-63.7	-42.5	174.6	-68.7	170.8	0	0	0	111.8	L308 T309 V329 F355 M358 I367 S368 K369 A375 T376	L308-L372 HydrophobicContact CB-CB 4.44Å; L308-L372 HydrophobicContact CB-CD1 4.35Å; T309-L372 HydrophobicContact CG2-CB 4.35Å; V329-L372 HydrophobicContact CG1-CD2 4.25Å; V329-L372 HydrophobicContact CG2-CD2 4.15Å; F355-L372 HydrophobicContact CE1-CD2 4.14Å; M358-L372 HydrophobicContact SD-CD2 4.13Å; I367-L372 HydrophobicContact CG1-CD2 4.27Å; I367-L372 HydrophobicContact CG1-CG 4.07Å; I367-L372 HydrophobicContact CG2-CD1 4.26Å; I367-L372 HydrophobicContact CG2-CG 4.41Å; S368-L372 PolarHBondContact O-N 3.07Å; K369-L372 PolarHBondContact O-N 3.5Å; L372-A375 PolarHBondContact O-N 3.07Å; L372-T376 WeakPolarHBondContact O-CB 3.34Å; L372-T376 PolarHBondContact O-N 2.99Å; L372-T376 PolarHBondContact O-OG1 2.83Å
373	A	98.4	Very high	97.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-44.5	174.6	0	0	0	0	0	111.1	T309 M320 A321 K369 E370 T376 L377	T309-A373 HydrophobicContact CG2-CB 4.2Å; M320-A373 HydrophobicContact CB-CB 3.67Å; A321-A373 HydrophobicContact CB-CB 4.08Å; K369-A373 PolarHBondContact O-N 3.11Å; E370-A373 PolarHBondContact O-N 3.49Å; A373-T376 PolarHBondContact O-N 2.98Å; A373-L377 WeakPolarHBondContact O-CB 3.32Å; A373-L377 PolarHBondContact O-N 2.68Å
374	R	98.1	Very high	97.9	Very high	62 Å²	62	39.8 Å²	39.8	23%	0.234	20%	0.203	C	C	.	.	H	α-helix	trans	-63.5	-46.7	177.2	-176.9	53.6	163.3	-86	-4.7	111.6	A321 G324 E370 D371 T376 L377 I378	A321-R374 HydrophobicContact CB-CB 4.49Å; A321-R374 VanDerWaalsContact O-CD 3.28Å; A321-R374 WeakPolarHBondContact O-CD 3.41Å; A321-R374 PolarHBondContact O-NH1 3.46Å; G324-R374 WeakPolarHBondContact O-CG 3.45Å; G324-R374 PolarHBondContact O-NH1 3.48Å; E370-R374 WeakPolarHBondContact O-CB 3.33Å; E370-R374 PolarHBondContact O-N 3.27Å; D371-R374 PolarHBondContact O-N 3.43Å; R374-T376 VanDerWaalsContact C-N 3.32Å; R374-T376 PolarHBondContact O-N 2.96Å; R374-L377 WeakPolarHBondContact O-CB 3.34Å; R374-L377 PolarHBondContact O-N 2.94Å; R374-I378 HydrophobicContact CG-CG1 4.35Å; R374-I378 VanDerWaalsContact O-CG1 3.28Å; R374-I378 WeakPolarHBondContact O-CG1 3.3Å; R374-I378 PolarHBondContact O-N 2.83Å
375	A	98.4	Very high	97.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-38.8	177.6	0	0	0	0	0	112.5	V329 F355 D371 L372 T379	V329-A375 HydrophobicContact CB-CB 3.53Å; V329-A375 HydrophobicContact CG1-CB 3.47Å; V329-A375 VanDerWaalsContact CG1-CB 3.47Å; V329-A375 HydrophobicContact CG2-CB 3.84Å; F355-A375 HydrophobicContact CE1-CB 4.23Å; F355-A375 HydrophobicContact CE2-CB 4.28Å; F355-A375 HydrophobicContact CZ-CB 3.95Å; D371-A375 WeakPolarHBondContact O-CB 3.5Å; D371-A375 PolarHBondContact O-N 2.89Å; L372-A375 PolarHBondContact O-N 3.07Å; A375-T379 VanDerWaalsContact O-CB 3.23Å; A375-T379 WeakPolarHBondContact O-CB 3.32Å; A375-T379 PolarHBondContact O-N 2.95Å; A375-T379 PolarHBondContact O-OG1 3.05Å
376	T	98.6	Very high	97.9	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-61.2	-48.2	173.5	-51.3	0	0	0	0	110.4	F301 L304 F355 L372 A373 R374 T379 I380	F301-T376 HydrophobicContact CD2-CG2 3.85Å; L304-T376 HydrophobicContact CB-CG2 3.81Å; L304-T376 HydrophobicContact CD1-CG2 4.19Å; F355-T376 WeakPolarHBondContact CZ-OG1 3.42Å; L372-T376 WeakPolarHBondContact O-CB 3.34Å; L372-T376 PolarHBondContact O-N 2.99Å; L372-T376 PolarHBondContact O-OG1 2.83Å; A373-T376 PolarHBondContact O-N 2.98Å; R374-T376 VanDerWaalsContact C-N 3.32Å; R374-T376 PolarHBondContact O-N 2.96Å; T376-T379 PolarHBondContact O-N 3.45Å; T376-I380 WeakPolarHBondContact O-CG1 3.4Å; T376-I380 PolarHBondContact O-N 3.05Å
377	L	98.1	Very high	98.1	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-58.9	-50.5	178.8	-171	68.3	0	0	0	111.7	F301 L318 A321 A373 R374 T379 I380 T381 F406 V412 S413	F301-L377 HydrophobicContact CD2-CB 4.19Å; F301-L377 HydrophobicContact CD2-CD1 3.97Å; F301-L377 HydrophobicContact CE1-CD1 4.38Å; F301-L377 HydrophobicContact CE2-CB 3.75Å; F301-L377 HydrophobicContact CE2-CD1 3.67Å; F301-L377 HydrophobicContact CE2-CG 4.32Å; F301-L377 HydrophobicContact CG-CD1 4.46Å; F301-L377 HydrophobicContact CZ-CD1 3.89Å; L318-L377 HydrophobicContact CD2-CD1 3.96Å; L318-L377 HydrophobicContact CD2-CD2 4.39Å; A321-L377 HydrophobicContact CB-CB 4.25Å; A321-L377 HydrophobicContact CB-CD2 3.86Å; A373-L377 WeakPolarHBondContact O-CB 3.32Å; A373-L377 PolarHBondContact O-N 2.68Å; R374-L377 WeakPolarHBondContact O-CB 3.34Å; R374-L377 PolarHBondContact O-N 2.94Å; L377-T379 VanDerWaalsContact C-N 3.35Å; L377-T379 PolarHBondContact O-N 3.2Å; L377-I380 PolarHBondContact O-N 3.15Å; L377-T381 VanDerWaalsContact O-CB 3.3Å; L377-T381 WeakPolarHBondContact O-CB 3.45Å; L377-T381 PolarHBondContact O-N 3.34Å; L377-T381 PolarHBondContact O-OG1 3.2Å; L377-F406 HydrophobicContact CD1-CE2 4.01Å; L377-F406 HydrophobicContact CD1-CZ 3.81Å; L377-V412 HydrophobicContact CD2-CB 4.05Å; L377-V412 HydrophobicContact CD2-CG1 3.85Å; L377-S413 VanDerWaalsContact CD1-OG 3.3Å; L377-S413 WeakPolarHBondContact CD1-OG 3.24Å; L377-S413 WeakPolarHBondContact CG-OG 3.34Å
378	I	97.2	Very high	98.1	Very high	17 Å²	17	26.6 Å²	26.6	9%	0.087	14%	0.138	C	C	.	.	H	α-helix	trans	-61.3	-43.9	180	-64.4	-60.5	0	0	0	110.9	R374 N382 L416	R374-I378 HydrophobicContact CG-CG1 4.35Å; R374-I378 VanDerWaalsContact O-CG1 3.28Å; R374-I378 WeakPolarHBondContact O-CG1 3.3Å; R374-I378 PolarHBondContact O-N 2.83Å; I378-N382 VanDerWaalsContact CG2-ND2 3.34Å; I378-N382 WeakPolarHBondContact CG2-ND2 3.37Å; I378-N382 VanDerWaalsContact O-CB 3.24Å; I378-N382 WeakPolarHBondContact O-CB 3.32Å; I378-N382 PolarHBondContact O-N 2.85Å; I378-N382 PolarHBondContact O-ND2 3.23Å; I378-L416 HydrophobicContact CD1-CD2 3.55Å; I378-L416 HydrophobicContact CG2-CD2 4.36Å
379	T	98.5	Very high	98.1	Very high	31 Å²	31	28.2 Å²	28.2	19%	0.19	14%	0.139	C	C	.	.	H	α-helix	trans	-61.8	-49.5	-178.8	-64.8	0	0	0	0	111.8	S354 A375 T376 L377 N383	S354-T379 WeakPolarHBondContact CB-OG1 3.37Å; S354-T379 WeakPolarHBondContact OG-CG2 3.39Å; S354-T379 PolarHBondContact OG-OG1 2.83Å; A375-T379 VanDerWaalsContact O-CB 3.23Å; A375-T379 WeakPolarHBondContact O-CB 3.32Å; A375-T379 PolarHBondContact O-N 2.95Å; A375-T379 PolarHBondContact O-OG1 3.05Å; T376-T379 PolarHBondContact O-N 3.45Å; L377-T379 VanDerWaalsContact C-N 3.35Å; L377-T379 PolarHBondContact O-N 3.2Å; T379-N383 WeakPolarHBondContact O-CB 3.3Å; T379-N383 PolarHBondContact O-N 3.26Å; T379-N383 VanDerWaalsContact O-N 3.07Å
380	I	98.4	Very high	98	Very high	7 Å²	7	27.7 Å²	27.7	4%	0.036	14%	0.139	C	C	.	.	H	α-helix	trans	-65.9	-47.2	-179.9	-62.2	-59.6	0	0	0	110.3	L296 T300 F301 T376 L377 N382 N383 I384 F406	L296-I380 HydrophobicContact CB-CD1 4.22Å; T300-I380 HydrophobicContact CG2-CD1 3.76Å; F301-I380 HydrophobicContact CB-CG1 4.2Å; F301-I380 HydrophobicContact CB-CG2 4.5Å; T376-I380 WeakPolarHBondContact O-CG1 3.4Å; T376-I380 PolarHBondContact O-N 3.05Å; L377-I380 PolarHBondContact O-N 3.15Å; I380-N382 PolarHBondContact O-N 2.94Å; I380-N383 PolarHBondContact O-N 3.08Å; I380-I384 HydrophobicContact CG2-CD1 3.79Å; I380-I384 VanDerWaalsContact O-CG1 3.28Å; I380-I384 WeakPolarHBondContact O-CG1 3.26Å; I380-I384 PolarHBondContact O-N 2.91Å; I380-F406 HydrophobicContact CG2-CE2 4.5Å; I380-F406 HydrophobicContact CG2-CZ 4.3Å
381	T	98	Very high	98	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64	-43.7	-178.3	-61.2	0	0	0	0	112.7	L377 N383 I384 G385 F406 S413 L416 L417	L377-T381 VanDerWaalsContact O-CB 3.3Å; L377-T381 WeakPolarHBondContact O-CB 3.45Å; L377-T381 PolarHBondContact O-N 3.34Å; L377-T381 PolarHBondContact O-OG1 3.2Å; T381-N383 VanDerWaalsContact C-N 3.35Å; T381-N383 PolarHBondContact O-N 3.02Å; T381-I384 PolarHBondContact O-N 2.98Å; T381-G385 PolarHBondContact O-N 3.12Å; T381-F406 WeakPolarHBondContact OG1-CE1 3.17Å; T381-F406 VanDerWaalsContact OG1-CZ 3.32Å; T381-F406 WeakPolarHBondContact OG1-CZ 3.48Å; T381-S413 WeakPolarHBondContact OG1-CB 3.43Å; T381-S413 PolarHBondContact OG1-OG 3.09Å; T381-L416 HydrophobicContact CG2-CB 4.03Å; T381-L416 HydrophobicContact CG2-CD2 3.73Å; T381-L416 HydrophobicContact CG2-CG 4Å; T381-L417 HydrophobicContact CG2-CD1 4.39Å; T381-L417 HydrophobicContact CG2-CD2 3.83Å; T381-L417 HydrophobicContact CG2-CG 3.65Å
382	N	95.3	Very high	98	Very high	49 Å²	49	24.4 Å²	24.4	26%	0.262	12%	0.124	S	C	.	.	H	α-helix	trans	-65.6	-37.8	176.8	-79.8	-23	0	0	0	112.2	I378 I380 G385 S386 L416	I378-N382 VanDerWaalsContact CG2-ND2 3.34Å; I378-N382 WeakPolarHBondContact CG2-ND2 3.37Å; I378-N382 VanDerWaalsContact O-CB 3.24Å; I378-N382 WeakPolarHBondContact O-CB 3.32Å; I378-N382 PolarHBondContact O-N 2.85Å; I378-N382 PolarHBondContact O-ND2 3.23Å; I380-N382 PolarHBondContact O-N 2.94Å; N382-G385 PolarHBondContact O-N 3.47Å; N382-S386 WeakPolarHBondContact O-CB 3.41Å; N382-S386 PolarHBondContact O-N 2.6Å; N382-L416 WeakPolarHBondContact OD1-CD1 3.45Å; N382-L416 WeakPolarHBondContact OD1-CD2 3.43Å; N382-L416 WeakPolarHBondContact OD1-CG 3.46Å
383	N	98.3	Very high	97.9	Very high	55 Å²	55	27.4 Å²	27.4	29%	0.294	14%	0.143	S	C	.	.	H	α-helix	trans	-62.1	-47.4	175.6	-176.1	-101.1	0	0	0	111.2	T379 I380 T381 G385 S386 I387	T379-N383 WeakPolarHBondContact O-CB 3.3Å; T379-N383 PolarHBondContact O-N 3.26Å; T379-N383 VanDerWaalsContact O-N 3.07Å; I380-N383 PolarHBondContact O-N 3.08Å; T381-N383 VanDerWaalsContact C-N 3.35Å; T381-N383 PolarHBondContact O-N 3.02Å; N383-G385 PolarHBondContact O-N 2.98Å; N383-S386 PolarHBondContact O-N 3.11Å; N383-I387 WeakPolarHBondContact O-CG1 3.4Å; N383-I387 PolarHBondContact O-N 2.97Å; N383-I387 WeakPolarHBondContact OD1-CD1 3.38Å
384	I	98.6	Very high	97.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-59.1	-48.3	176	-66.6	168.3	0	0	0	110.6	V271 I273 V277 I380 T381 S386 I387 A388 F402 L417	V271-I384 HydrophobicContact CG1-CG2 4.02Å; I273-I384 HydrophobicContact CD1-CD1 4.27Å; I273-I384 HydrophobicContact CD1-CG2 3.89Å; I273-I384 HydrophobicContact CG1-CD1 4.46Å; I273-I384 HydrophobicContact CG1-CG2 4.21Å; I273-I384 HydrophobicContact CG2-CD1 3.7Å; V277-I384 HydrophobicContact CG2-CD1 3.89Å; V277-I384 HydrophobicContact CG2-CG1 4.01Å; I380-I384 HydrophobicContact CG2-CD1 3.79Å; I380-I384 VanDerWaalsContact O-CG1 3.28Å; I380-I384 WeakPolarHBondContact O-CG1 3.26Å; I380-I384 PolarHBondContact O-N 2.91Å; T381-I384 PolarHBondContact O-N 2.98Å; I384-S386 VanDerWaalsContact C-N 3.35Å; I384-S386 PolarHBondContact O-N 3.39Å; I384-I387 PolarHBondContact O-N 3.44Å; I384-A388 VanDerWaalsContact O-CB 3.31Å; I384-A388 WeakPolarHBondContact O-CB 3.35Å; I384-A388 PolarHBondContact O-N 2.92Å; I384-F402 HydrophobicContact CG2-CE1 4.29Å; I384-L417 HydrophobicContact CG2-CD2 4.38Å
385	G	97.7	Very high	97.9	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-58.6	-44.8	178.2	0	0	0	0	0	112.5	T381 N382 N383 I387 A388 R389 M421	T381-G385 PolarHBondContact O-N 3.12Å; N382-G385 PolarHBondContact O-N 3.47Å; N383-G385 PolarHBondContact O-N 2.98Å; G385-I387 PolarHBondContact O-N 3.09Å; G385-A388 PolarHBondContact O-N 3.12Å; G385-R389 WeakPolarHBondContact O-CB 3.32Å; G385-R389 PolarHBondContact O-N 3.15Å; G385-M421 WeakPolarHBondContact O-CE 3.48Å
386	S	97.3	Very high	97.8	Very high	53 Å²	53	40.9 Å²	40.9	37%	0.371	21%	0.21	S	C	.	.	H	α-helix	trans	-61.6	-45.8	178	-173.9	0	0	0	0	112.4	N382 N383 I384 R389 M390	N382-S386 WeakPolarHBondContact O-CB 3.41Å; N382-S386 PolarHBondContact O-N 2.6Å; N383-S386 PolarHBondContact O-N 3.11Å; I384-S386 VanDerWaalsContact C-N 3.35Å; I384-S386 PolarHBondContact O-N 3.39Å; S386-R389 PolarHBondContact O-N 3.44Å; S386-M390 WeakPolarHBondContact O-CG 3.49Å; S386-M390 PolarHBondContact O-N 3.48Å
387	I	98.4	Very high	97.7	Very high	31 Å²	31	41 Å²	41	16%	0.159	21%	0.21	C	C	.	.	H	α-helix	trans	-65.2	-45.1	178.1	-62.9	169.1	0	0	0	110.7	I279 T292 T294 N383 I384 G385 R389 M390 C391	I279-I387 HydrophobicContact CD1-CB 4.44Å; I279-I387 HydrophobicContact CD1-CG2 3.56Å; T292-I387 HydrophobicContact CG2-CG2 4.4Å; T294-I387 HydrophobicContact CG2-CD1 3.92Å; N383-I387 WeakPolarHBondContact O-CG1 3.4Å; N383-I387 PolarHBondContact O-N 2.97Å; N383-I387 WeakPolarHBondContact OD1-CD1 3.38Å; I384-I387 PolarHBondContact O-N 3.44Å; G385-I387 PolarHBondContact O-N 3.09Å; I387-R389 VanDerWaalsContact C-N 3.33Å; I387-R389 PolarHBondContact O-N 3.46Å; I387-M390 HydrophobicContact CB-CE 4.48Å; I387-M390 HydrophobicContact CG1-CE 4.16Å; I387-M390 PolarHBondContact O-N 3.48Å; I387-C391 PolarHBondContact O-N 3.11Å; I387-C391 PolarHBondContact O-SG 3.05Å
388	A	98.4	Very high	97.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.1	-44.7	176.9	0	0	0	0	0	111.6	L269 V271 I384 G385 M390 C391 A392 V400 F402	L269-A388 WeakPolarHBondContact CD2-O 3.28Å; V271-A388 HydrophobicContact CG2-CB 3.84Å; I384-A388 VanDerWaalsContact O-CB 3.31Å; I384-A388 WeakPolarHBondContact O-CB 3.35Å; I384-A388 PolarHBondContact O-N 2.92Å; G385-A388 PolarHBondContact O-N 3.12Å; A388-M390 PolarHBondContact O-N 3.15Å; A388-C391 PolarHBondContact O-N 3.2Å; A388-A392 VanDerWaalsContact O-CB 3.28Å; A388-A392 WeakPolarHBondContact O-CB 3.39Å; A388-A392 PolarHBondContact O-N 2.98Å; A388-V400 HydrophobicContact CB-CG1 4.18Å; A388-F402 HydrophobicContact CB-CE1 3.83Å; A388-F402 HydrophobicContact CB-CZ 3.91Å
389	R	97.6	Very high	97.5	Very high	72 Å²	72	50 Å²	50	27%	0.272	25%	0.249	S	C	.	.	H	α-helix	trans	-58.7	-47.5	174.8	-174	-166.5	71.5	82.3	4.8	112	G385 S386 I387 C391 A392 V393 M421 L429	G385-R389 WeakPolarHBondContact O-CB 3.32Å; G385-R389 PolarHBondContact O-N 3.15Å; S386-R389 PolarHBondContact O-N 3.44Å; I387-R389 VanDerWaalsContact C-N 3.33Å; I387-R389 PolarHBondContact O-N 3.46Å; R389-C391 VanDerWaalsContact C-N 3.32Å; R389-C391 PolarHBondContact O-N 2.93Å; R389-A392 PolarHBondContact O-N 3.47Å; R389-V393 WeakPolarHBondContact O-CG2 3.25Å; R389-V393 PolarHBondContact O-N 3.14Å; R389-M421 HydrophobicContact CB-CE 4.08Å; R389-M421 HydrophobicContact CB-SD 4.32Å; R389-L429 HydrophobicContact CB-CD1 4.15Å; R389-L429 HydrophobicContact CG-CD1 3.65Å
390	M	97.9	Very high	97.5	Very high	97 Å²	97	48.5 Å²	48.5	48%	0.478	24%	0.24	S	C	.	.	H	α-helix	trans	-61.6	-41.8	178.6	-70.6	-174.4	-65.4	0	0	111.6	S386 I387 A388 N394	S386-M390 WeakPolarHBondContact O-CG 3.49Å; S386-M390 PolarHBondContact O-N 3.48Å; I387-M390 HydrophobicContact CB-CE 4.48Å; I387-M390 HydrophobicContact CG1-CE 4.16Å; I387-M390 PolarHBondContact O-N 3.48Å; A388-M390 PolarHBondContact O-N 3.15Å; M390-N394 WeakPolarHBondContact O-CB 3.21Å; M390-N394 PolarHBondContact O-N 3.42Å
391	C	98.4	Very high	97.4	Very high	12 Å²	12	48.2 Å²	48.2	8%	0.081	24%	0.238	C	C	.	.	H	α-helix	trans	-65.1	-45.1	176.3	-64	0	0	0	0	111.7	L269 I279 V291 T292 I387 A388 R389 V393 N394 E395	L269-C391 HydrophobicContact CD1-CB 4.28Å; L269-C391 HydrophobicContact CD2-CB 3.83Å; I279-C391 HydrophobicContact CG2-CB 4.02Å; V291-C391 HydrophobicContact CG1-CB 4.46Å; T292-C391 WeakPolarHBondContact CG2-SG 3.39Å; I387-C391 PolarHBondContact O-N 3.11Å; I387-C391 PolarHBondContact O-SG 3.05Å; A388-C391 PolarHBondContact O-N 3.2Å; R389-C391 VanDerWaalsContact C-N 3.32Å; R389-C391 PolarHBondContact O-N 2.93Å; C391-V393 PolarHBondContact O-N 2.97Å; C391-N394 PolarHBondContact O-N 2.94Å; C391-E395 WeakPolarHBondContact O-CB 3.31Å; C391-E395 WeakPolarHBondContact O-CG 3.46Å; C391-E395 PolarHBondContact O-N 3.39Å
392	A	97.9	Very high	97.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.2	-47.2	178.3	0	0	0	0	0	111.6	L269 A388 R389 K396 I397 V400 L429	L269-A392 HydrophobicContact CD2-CB 4Å; A388-A392 VanDerWaalsContact O-CB 3.28Å; A388-A392 WeakPolarHBondContact O-CB 3.39Å; A388-A392 PolarHBondContact O-N 2.98Å; R389-A392 PolarHBondContact O-N 3.47Å; A392-K396 WeakPolarHBondContact O-CA 3.23Å; A392-K396 PolarHBondContact O-N 3.38Å; A392-I397 WeakPolarHBondContact CB-O 3.45Å; A392-I397 PolarHBondContact O-N 3.33Å; A392-V400 HydrophobicContact CB-CG2 3.84Å; A392-L429 HydrophobicContact CB-CD1 3.77Å; A392-L429 HydrophobicContact CB-CD2 3.95Å
393	V	96.8	Very high	97.6	Very high	85 Å²	85	45.9 Å²	45.9	52%	0.515	23%	0.226	S	C	.	.	H	α-helix	trans	-63.2	-45.6	176.5	172.2	0	0	0	0	111.3	R389 C391 E395 K396	R389-V393 WeakPolarHBondContact O-CG2 3.25Å; R389-V393 PolarHBondContact O-N 3.14Å; C391-V393 PolarHBondContact O-N 2.97Å; V393-E395 PolarHBondContact O-N 2.93Å; V393-K396 PolarHBondContact O-N 2.77Å
394	N	97.7	Very high	97.5	Very high	122 Å²	122	43.4 Å²	43.4	65%	0.652	21%	0.214	S	C	*	.	H	α-helix	trans	-65.8	-39.2	-178.8	-172.9	71.3	0	0	0	112.7	M390 C391 K396	M390-N394 WeakPolarHBondContact O-CB 3.21Å; M390-N394 PolarHBondContact O-N 3.42Å; C391-N394 PolarHBondContact O-N 2.94Å; N394-K396 VanDerWaalsContact C-N 3.3Å
395	E	98	Very high	97.4	Very high	34 Å²	34	44.2 Å²	44.2	16%	0.159	22%	0.218	C	C	.	.	H	α-helix	trans	-83.6	-5.2	177.8	-65.7	-65.5	156.8	0	0	113.1	A281 Y283 K289 V291 C391 V393 I397	A281-E395 HydrophobicContact CB-CG 4.19Å; Y283-E395 PolarHBondContact OH-OE2 2.72Å; K289-E395 WeakPolarHBondContact CE-OE1 3.24Å; K289-E395 WeakPolarHBondContact CE-OE2 3.15Å; K289-E395 IonicContact NZ-OE1 3.5Å; K289-E395 PolarHBondContact NZ-OE1 2.82Å; K289-E395 IonicContact NZ-OE2 2.86Å; K289-E395 PolarHBondContact NZ-OE2 3.46Å; V291-E395 HydrophobicContact CG1-CG 4.33Å; V291-E395 HydrophobicContact CG2-CG 3.94Å; C391-E395 WeakPolarHBondContact O-CB 3.31Å; C391-E395 WeakPolarHBondContact O-CG 3.46Å; C391-E395 PolarHBondContact O-N 3.39Å; V393-E395 PolarHBondContact O-N 2.93Å; E395-I397 HydrophobicContact CB-CD1 3.86Å; E395-I397 HydrophobicContact CB-CG1 4Å
396	K	97.2	Very high	97.3	Very high	188 Å²	188	44.3 Å²	44.3	82%	0.817	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	45.3	-176.6	-52.5	177.2	-177	177.9	0	112.6	A392 V393 N394	A392-K396 WeakPolarHBondContact O-CA 3.23Å; A392-K396 PolarHBondContact O-N 3.38Å; V393-K396 PolarHBondContact O-N 2.77Å; N394-K396 VanDerWaalsContact C-N 3.3Å
397	I	96.7	Very high	97.2	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.015	20%	0.201	C	C	.	.			trans	-117.4	123.6	-179.6	-59	175.4	0	0	0	109.3	P267 L269 A281 Y283 A392 E395 R399 L429	P267-I397 HydrophobicContact CB-CD1 3.93Å; P267-I397 HydrophobicContact CB-CG1 3.93Å; P267-I397 HydrophobicContact CG-CG1 4.04Å; L269-I397 HydrophobicContact CB-CG2 4.17Å; L269-I397 HydrophobicContact CD1-CD1 4.44Å; A281-I397 HydrophobicContact CB-CD1 3.85Å; Y283-I397 HydrophobicContact CE1-CD1 4.49Å; A392-I397 WeakPolarHBondContact CB-O 3.45Å; A392-I397 PolarHBondContact O-N 3.33Å; E395-I397 HydrophobicContact CB-CD1 3.86Å; E395-I397 HydrophobicContact CB-CG1 4Å; I397-R399 WeakPolarHBondContact CG2-O 3.35Å; I397-L429 WeakPolarHBondContact O-CD2 3.44Å
398	E	95.3	Very high	97	Very high	137 Å²	137	41.3 Å²	41.3	64%	0.64	20%	0.197	S	C	*	.			trans	-87.7	-22.7	-176.3	-65.4	175.7	177.7	0	0	113.6	L429 R430	E398-L429 WeakPolarHBondContact O-CA 3.49Å; E398-R430 PolarHBondContact O-N 2.82Å
399	R	95.1	Very high	96.5	Very high	72 Å²	72	46.5 Å²	46.5	27%	0.272	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	117.1	-176.7	-66.1	174	-66.9	-132.5	-3.7	110.2	H265 F266 P267 L269 I397 L432	H265-R399 PolarHBondContact CD2-NH1 3.41Å; H265-R399 PolarHBondContact O-NE 3.26Å; H265-R399 PolarHBondContact O-NH2 3.49Å; F266-R399 PolarHBondContact O-NH2 2.89Å; F266-R399 VanDerWaalsContact O-NH2 3.08Å; P267-R399 PolarHBondContact O-NE 2.95Å; P267-R399 PolarHBondContact O-NH2 3.31Å; L269-R399 PolarHBondContact N-O 2.93Å; I397-R399 WeakPolarHBondContact CG2-O 3.35Å; R399-L432 HydrophobicContact CB-CD1 4.14Å; R399-L432 HydrophobicContact CG-CD1 4.34Å
400	V	97.8	Very high	96.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	107	178.3	-171.1	0	0	0	0	108.7	L269 V271 A388 A392 F402 M421 R430 A431 L432	L269-V400 HydrophobicContact CB-CG2 4.42Å; L269-V400 HydrophobicContact CD2-CG1 4.24Å; L269-V400 HydrophobicContact CD2-CG2 4.43Å; L269-V400 CarbonylContact O-C 3.57Å; L269-V400 WeakPolarHBondContact O-CA 3.4Å; V271-V400 HydrophobicContact CG2-CG1 3.68Å; A388-V400 HydrophobicContact CB-CG1 4.18Å; A392-V400 HydrophobicContact CB-CG2 3.84Å; V400-F402 HydrophobicContact CB-CE2 3.95Å; V400-F402 HydrophobicContact CB-CZ 4.29Å; V400-F402 HydrophobicContact CG1-CD2 4.1Å; V400-F402 HydrophobicContact CG1-CE1 4.02Å; V400-F402 HydrophobicContact CG1-CE2 3.45Å; V400-F402 VanDerWaalsContact CG1-CE2 3.45Å; V400-F402 HydrophobicContact CG1-CZ 3.41Å; V400-F402 VanDerWaalsContact CG1-CZ 3.41Å; V400-M421 HydrophobicContact CG2-SD 4.23Å; V400-R430 PolarHBondContact N-O 3.33Å; V400-A431 CarbonylContact O-C 3.59Å; V400-A431 WeakPolarHBondContact O-CA 3.49Å; V400-L432 PolarHBondContact O-N 2.88Å
401	V	97.9	Very high	95.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	118.5	177.6	-173.5	0	0	0	0	108.3	L262 M268 L269 L270 V271 V403 L432 L434	L262-V401 HydrophobicContact CD1-CG2 4.04Å; M268-V401 HydrophobicContact CB-CG2 4.28Å; M268-V401 HydrophobicContact SD-CG2 3.86Å; L269-V401 PolarHBondContact O-N 2.93Å; L270-V401 WeakPolarHBondContact CA-O 3.28Å; L270-V401 HydrophobicContact CD1-CB 3.97Å; L270-V401 HydrophobicContact CD1-CG1 3.93Å; V271-V401 PolarHBondContact N-O 3.24Å; V401-V403 HydrophobicContact CG1-CG1 4.03Å; V401-L432 CarbonylContact C-O 3.59Å; V401-L432 WeakPolarHBondContact CA-O 3.31Å; V401-L432 HydrophobicContact CB-CB 4.48Å; V401-L432 HydrophobicContact CG2-CB 4.04Å; V401-L432 HydrophobicContact CG2-CD1 4.05Å; V401-L434 HydrophobicContact CG1-CD1 3.94Å; V401-L434 HydrophobicContact CG1-CG 4.24Å
402	F	98.6	Very high	95.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.2	174.7	-60.9	-91	0	0	0	110.1	V271 I273 I384 A388 V400 L407 L417 M421 A431 L432 F433	V271-F402 HydrophobicContact CB-CD1 3.55Å; V271-F402 HydrophobicContact CB-CE1 3.88Å; V271-F402 HydrophobicContact CB-CG 4.33Å; V271-F402 HydrophobicContact CG1-CD1 3.65Å; V271-F402 HydrophobicContact CG1-CE1 3.84Å; V271-F402 HydrophobicContact CG2-CD1 4.07Å; V271-F402 HydrophobicContact CG2-CE1 3.93Å; V271-F402 WeakPolarHBondContact O-CA 3.35Å; I273-F402 HydrophobicContact CD1-CD1 4.09Å; I384-F402 HydrophobicContact CG2-CE1 4.29Å; A388-F402 HydrophobicContact CB-CE1 3.83Å; A388-F402 HydrophobicContact CB-CZ 3.91Å; V400-F402 HydrophobicContact CB-CE2 3.95Å; V400-F402 HydrophobicContact CB-CZ 4.29Å; V400-F402 HydrophobicContact CG1-CD2 4.1Å; V400-F402 HydrophobicContact CG1-CE1 4.02Å; V400-F402 HydrophobicContact CG1-CE2 3.45Å; V400-F402 VanDerWaalsContact CG1-CE2 3.45Å; V400-F402 HydrophobicContact CG1-CZ 3.41Å; V400-F402 VanDerWaalsContact CG1-CZ 3.41Å; F402-L407 HydrophobicContact CB-CD1 3.66Å; F402-L417 HydrophobicContact CB-CD1 4.35Å; F402-L417 HydrophobicContact CD1-CD1 3.83Å; F402-L417 HydrophobicContact CD1-CD2 4.37Å; F402-L417 HydrophobicContact CD2-CD1 4.43Å; F402-L417 HydrophobicContact CE1-CD1 4.18Å; F402-L417 HydrophobicContact CE1-CD2 3.87Å; F402-L417 HydrophobicContact CE1-CG 4.49Å; F402-L417 HydrophobicContact CE2-CB 4.32Å; F402-L417 HydrophobicContact CG-CD1 3.97Å; F402-L417 HydrophobicContact CZ-CB 4.44Å; F402-L417 HydrophobicContact CZ-CD2 4.09Å; F402-M421 HydrophobicContact CE2-CG 3.95Å; F402-M421 HydrophobicContact CE2-SD 4.49Å; F402-M421 HydrophobicContact CZ-CE 4.29Å; F402-M421 HydrophobicContact CZ-CG 4.13Å; F402-M421 HydrophobicContact CZ-SD 4.15Å; F402-A431 HydrophobicContact CD2-CB 4.12Å; F402-A431 HydrophobicContact CE2-CB 3.82Å; F402-L432 PolarHBondContact N-O 2.92Å; F402-F433 HydrophobicContact CB-CD1 3.95Å; F402-F433 HydrophobicContact CB-CE1 3.86Å; F402-F433 AromaticContact CD2-CE1 3.9Å; F402-F433 HydrophobicContact CD2-CE1 3.9Å; F402-F433 HydrophobicContact CD2-CZ 4.31Å; F402-F433 HydrophobicContact CG-CE1 4.18Å
403	V	98.3	Very high	95.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	178	179.1	-57	0	0	0	0	110.1	L225 L229 L270 V271 N272 I273 V401 L434 F440	L225-V403 HydrophobicContact CD1-CG2 4.16Å; L229-V403 HydrophobicContact CD1-CG1 4.21Å; L270-V403 HydrophobicContact CD1-CB 4.47Å; L270-V403 HydrophobicContact CD1-CG1 3.83Å; L270-V403 HydrophobicContact CD1-CG2 3.76Å; L270-V403 HydrophobicContact CG-CG2 4.4Å; V271-V403 PolarHBondContact O-N 2.97Å; N272-V403 HydrophobicContact CB-CG2 3.93Å; I273-V403 PolarHBondContact N-O 3.19Å; V401-V403 HydrophobicContact CG1-CG1 4.03Å; V403-L434 HydrophobicContact CG1-CD1 3.7Å; V403-L434 HydrophobicContact CG1-CG 4.45Å; V403-F440 HydrophobicContact CB-CD2 4.32Å; V403-F440 HydrophobicContact CB-CE2 4.21Å; V403-F440 HydrophobicContact CG1-CD2 4.16Å; V403-F440 HydrophobicContact CG1-CE2 3.76Å
404	G	97.2	Very high	95.1	Very high	4 Å²	4	40.6 Å²	40.6	4%	0.041	20%	0.2	C	C	.	.	S	Bend	trans	102.4	152.9	177.4	0	0	0	0	0	113.1	I273 F406 L407 E437	I273-G404 CarbonylContact O-C 3.55Å; I273-G404 WeakPolarHBondContact O-CA 3.44Å; G404-F406 PolarHBondContact O-N 3.16Å; G404-L407 PolarHBondContact O-N 3.05Å; G404-E437 WeakPolarHBondContact CA-O 3.3Å; G404-E437 PolarHBondContact N-O 2.98Å
405	N	95.3	Very high	94.9	Very high	18 Å²	18	39.1 Å²	39.1	10%	0.096	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-65.5	-9.8	-172	-89.7	-79.2	0	0	0	114.7	L105 L407 R408 G438	L105-N405 HydrophobicContact CD1-CB 3.78Å; N405-L407 PolarHBondContact O-N 3.43Å; N405-R408 VanDerWaalsContact O-CB 3.3Å; N405-R408 WeakPolarHBondContact O-CB 3.5Å; N405-R408 PolarHBondContact O-N 3.33Å; N405-R408 PolarHBondContact OD1-NH1 3Å; N405-G438 WeakPolarHBondContact ND2-CA 3.5Å; N405-G438 PolarHBondContact ND2-O 2.92Å
406	F	95.9	Very high	94.7	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.013	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-60.6	-28.1	169.9	175.4	-105.9	0	0	0	112.4	I273 F301 F314 L377 I380 T381 G404 N410	I273-F406 HydrophobicContact CB-CB 3.94Å; I273-F406 HydrophobicContact CB-CD1 4.33Å; I273-F406 HydrophobicContact CB-CG 4.5Å; I273-F406 HydrophobicContact CD1-CD1 4.12Å; I273-F406 HydrophobicContact CG2-CB 3.39Å; I273-F406 HydrophobicContact CG2-CD1 3.58Å; I273-F406 HydrophobicContact CG2-CG 3.61Å; I273-F406 WeakPolarHBondContact O-CB 3.47Å; I273-F406 PolarHBondContact O-N 3.42Å; F301-F406 HydrophobicContact CB-CE2 3.88Å; F301-F406 HydrophobicContact CD1-CD2 4.38Å; F301-F406 AromaticContact CD1-CE2 3.95Å; F301-F406 HydrophobicContact CD1-CE2 3.95Å; F301-F406 AromaticContact CG-CE2 3.89Å; F301-F406 HydrophobicContact CG-CE2 3.89Å; F314-F406 HydrophobicContact CE2-CD2 4.16Å; F314-F406 HydrophobicContact CZ-CD2 4.27Å; F314-F406 WeakPolarHBondContact CZ-O 3.24Å; L377-F406 HydrophobicContact CD1-CE2 4.01Å; L377-F406 HydrophobicContact CD1-CZ 3.81Å; I380-F406 HydrophobicContact CG2-CE2 4.5Å; I380-F406 HydrophobicContact CG2-CZ 4.3Å; T381-F406 WeakPolarHBondContact OG1-CE1 3.17Å; T381-F406 VanDerWaalsContact OG1-CZ 3.32Å; T381-F406 WeakPolarHBondContact OG1-CZ 3.48Å; G404-F406 PolarHBondContact O-N 3.16Å; F406-N410 WeakPolarHBondContact O-CB 3.39Å; F406-N410 PolarHBondContact O-ND2 3.35Å
407	L	96	Very high	94.7	Very high	2 Å²	2	30 Å²	30	1%	0.01	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-87.8	-9.2	-179.8	-61.9	-178.5	0	0	0	113.3	I273 F402 G404 N405 I409 N410 L417 F433 E437	I273-L407 HydrophobicContact CD1-CD1 4.2Å; I273-L407 HydrophobicContact CD1-CD2 4.25Å; I273-L407 HydrophobicContact CD1-CG 4.21Å; F402-L407 HydrophobicContact CB-CD1 3.66Å; G404-L407 PolarHBondContact O-N 3.05Å; N405-L407 PolarHBondContact O-N 3.43Å; L407-I409 PolarHBondContact O-N 3.41Å; L407-N410 WeakPolarHBondContact O-CB 3.36Å; L407-N410 PolarHBondContact O-N 2.86Å; L407-L417 HydrophobicContact CD1-CD1 4.4Å; L407-L417 HydrophobicContact CD2-CD1 3.83Å; L407-F433 HydrophobicContact CD1-CD1 4.04Å; L407-F433 HydrophobicContact CD1-CE1 4.26Å; L407-E437 WeakPolarHBondContact CB-OE2 3.18Å; L407-E437 VanDerWaalsContact O-OE1 3.12Å
408	R	92.8	Very high	94.7	Very high	18 Å²	18	30.1 Å²	30.1	7%	0.068	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	124.1	179	-172.4	-177.7	70.3	-117.5	-0.1	109.3	L105 E315 N405 N410 E437	L105-R408 VanDerWaalsContact CD1-NH1 3.34Å; E315-R408 IonicContact OE1-CZ 3.26Å; E315-R408 IonicContact OE1-NE 2.93Å; E315-R408 IonicContact OE1-NH2 2.81Å; E315-R408 PolarHBondContact OE1-NH2 2.7Å; E315-R408 IonicContact OE2-NH2 2.81Å; N405-R408 VanDerWaalsContact O-CB 3.3Å; N405-R408 WeakPolarHBondContact O-CB 3.5Å; N405-R408 PolarHBondContact O-N 3.33Å; N405-R408 PolarHBondContact OD1-NH1 3Å; R408-N410 PolarHBondContact O-N 2.91Å; R408-E437 WeakPolarHBondContact CA-OE1 3.5Å; R408-E437 PolarHBondContact N-OE1 3.25Å
409	I	88.3	Confident	94.6	Very high	110 Å²	110	26.6 Å²	26.6	56%	0.564	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	14.3	-178.6	63.3	166.7	0	0	0	114.4	E315 L318 L407 T411	E315-I409 HydrophobicContact CG-CD1 4.07Å; L318-I409 HydrophobicContact CD1-CD1 4.31Å; L318-I409 HydrophobicContact CD1-CG1 3.86Å; L407-I409 PolarHBondContact O-N 3.41Å; I409-T411 PolarHBondContact O-N 2.96Å
410	N	90	Very high	94.4	Very high	5 Å²	5	23.3 Å²	23.3	3%	0.027	12%	0.12	C	C	.	.			trans	-105.2	60.3	-169.7	-175.1	-1.3	0	0	0	110.8	L318 F406 L407 R408 V412 S413 T414	L318-N410 HydrophobicContact CD1-CB 3.93Å; L318-N410 HydrophobicContact CD2-CB 4.05Å; F406-N410 WeakPolarHBondContact O-CB 3.39Å; F406-N410 PolarHBondContact O-ND2 3.35Å; L407-N410 WeakPolarHBondContact O-CB 3.36Å; L407-N410 PolarHBondContact O-N 2.86Å; R408-N410 PolarHBondContact O-N 2.91Å; N410-V412 PolarHBondContact O-N 3.18Å; N410-V412 VanDerWaalsContact O-N 3.11Å; N410-S413 VanDerWaalsContact CG-CB 3.46Å; N410-S413 VanDerWaalsContact CG-OG 3.23Å; N410-S413 VanDerWaalsContact ND2-CB 3.32Å; N410-S413 WeakPolarHBondContact ND2-CB 3.45Å; N410-S413 PolarHBondContact ND2-OG 3.22Å; N410-S413 PolarHBondContact O-N 3.18Å; N410-S413 VanDerWaalsContact OD1-CB 3.26Å; N410-S413 WeakPolarHBondContact OD1-CB 3.33Å; N410-S413 PolarHBondContact OD1-N 2.82Å; N410-S413 VanDerWaalsContact OD1-N 3.08Å; N410-S413 PolarHBondContact OD1-OG 3.27Å; N410-T414 PolarHBondContact O-N 3.03Å; N410-T414 VanDerWaalsContact O-N 3.09Å; N410-T414 PolarHBondContact O-OG1 2.9Å
411	T	88.8	Confident	94.2	Very high	92 Å²	92	23.3 Å²	23.3	56%	0.564	12%	0.12	S	C	*	.	H	α-helix	trans	-59.3	-26.4	-177.8	58.4	0	0	0	0	113.3	I409 K415	I409-T411 PolarHBondContact O-N 2.96Å; T411-K415 WeakPolarHBondContact O-CB 3.21Å; T411-K415 WeakPolarHBondContact O-CG 3.29Å; T411-K415 PolarHBondContact O-N 3.5Å
412	V	90.4	Very high	94	Very high	41 Å²	41	25.9 Å²	25.9	25%	0.248	13%	0.134	C	C	.	.	H	α-helix	trans	-59.9	-51.2	173.4	177.2	0	0	0	0	110.3	L377 N410 L416	L377-V412 HydrophobicContact CD2-CB 4.05Å; L377-V412 HydrophobicContact CD2-CG1 3.85Å; N410-V412 PolarHBondContact O-N 3.18Å; N410-V412 VanDerWaalsContact O-N 3.11Å; V412-L416 VanDerWaalsContact O-CB 3.3Å; V412-L416 WeakPolarHBondContact O-CB 3.23Å; V412-L416 PolarHBondContact O-N 2.99Å
413	S	95.4	Very high	93.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-71.2	-38.2	-179.1	-60.5	0	0	0	0	112.1	L377 T381 N410 K415 L416 L417	L377-S413 VanDerWaalsContact CD1-OG 3.3Å; L377-S413 WeakPolarHBondContact CD1-OG 3.24Å; L377-S413 WeakPolarHBondContact CG-OG 3.34Å; T381-S413 WeakPolarHBondContact OG1-CB 3.43Å; T381-S413 PolarHBondContact OG1-OG 3.09Å; N410-S413 VanDerWaalsContact CG-CB 3.46Å; N410-S413 VanDerWaalsContact CG-OG 3.23Å; N410-S413 VanDerWaalsContact ND2-CB 3.32Å; N410-S413 WeakPolarHBondContact ND2-CB 3.45Å; N410-S413 PolarHBondContact ND2-OG 3.22Å; N410-S413 PolarHBondContact O-N 3.18Å; N410-S413 VanDerWaalsContact OD1-CB 3.26Å; N410-S413 WeakPolarHBondContact OD1-CB 3.33Å; N410-S413 PolarHBondContact OD1-N 2.82Å; N410-S413 VanDerWaalsContact OD1-N 3.08Å; N410-S413 PolarHBondContact OD1-OG 3.27Å; S413-K415 PolarHBondContact O-N 2.87Å; S413-L416 PolarHBondContact O-N 3.22Å; S413-L417 WeakPolarHBondContact O-CB 3.43Å; S413-L417 WeakPolarHBondContact O-CG 3.46Å; S413-L417 PolarHBondContact O-N 3.43Å
414	T	95.1	Very high	93.1	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.018	17%	0.167	C	C	.	.	H	α-helix	trans	-59.8	-46.4	176.8	-41	0	0	0	0	111.3	Y244 F246 N410 A418 F433	Y244-T414 HydrophobicContact CE2-CG2 4.31Å; F246-T414 HydrophobicContact CD2-CG2 4.35Å; F246-T414 HydrophobicContact CE2-CG2 3.61Å; N410-T414 PolarHBondContact O-N 3.03Å; N410-T414 VanDerWaalsContact O-N 3.09Å; N410-T414 PolarHBondContact O-OG1 2.9Å; T414-A418 PolarHBondContact O-N 2.82Å; T414-F433 HydrophobicContact CG2-CB 4.33Å; T414-F433 HydrophobicContact CG2-CD1 3.36Å; T414-F433 HydrophobicContact CG2-CD2 3.62Å; T414-F433 HydrophobicContact CG2-CE1 3.37Å; T414-F433 HydrophobicContact CG2-CE2 3.65Å; T414-F433 HydrophobicContact CG2-CG 3.47Å; T414-F433 VanDerWaalsContact CG2-CG 3.47Å; T414-F433 HydrophobicContact CG2-CZ 3.52Å; T414-F433 WeakPolarHBondContact O-CZ 3.27Å
415	K	93.8	Very high	92.8	Very high	92 Å²	92	34.4 Å²	34.4	40%	0.4	17%	0.168	S	C	.	.	H	α-helix	trans	-65.9	-39.8	175	-74.4	-177.2	174.5	-172.2	0	112.3	F246 T411 S413 A418 Y419	F246-K415 HydrophobicContact CD1-CG 4.31Å; F246-K415 HydrophobicContact CD2-CG 4.46Å; F246-K415 HydrophobicContact CE1-CG 4.07Å; F246-K415 HydrophobicContact CE2-CG 4.24Å; F246-K415 HydrophobicContact CZ-CG 4.03Å; T411-K415 WeakPolarHBondContact O-CB 3.21Å; T411-K415 WeakPolarHBondContact O-CG 3.29Å; T411-K415 PolarHBondContact O-N 3.5Å; S413-K415 PolarHBondContact O-N 2.87Å; K415-A418 PolarHBondContact O-N 2.92Å; K415-Y419 WeakPolarHBondContact O-CB 3.39Å; K415-Y419 PolarHBondContact O-N 3.31Å
416	L	93.7	Very high	92.6	Very high	29 Å²	29	43 Å²	43	15%	0.152	21%	0.205	C	C	.	.	H	α-helix	trans	-65.6	-40.4	178.5	-177	61.5	0	0	0	112.3	I378 T381 N382 V412 S413 Y419 A420	I378-L416 HydrophobicContact CD1-CD2 3.55Å; I378-L416 HydrophobicContact CG2-CD2 4.36Å; T381-L416 HydrophobicContact CG2-CB 4.03Å; T381-L416 HydrophobicContact CG2-CD2 3.73Å; T381-L416 HydrophobicContact CG2-CG 4Å; N382-L416 WeakPolarHBondContact OD1-CD1 3.45Å; N382-L416 WeakPolarHBondContact OD1-CD2 3.43Å; N382-L416 WeakPolarHBondContact OD1-CG 3.46Å; V412-L416 VanDerWaalsContact O-CB 3.3Å; V412-L416 WeakPolarHBondContact O-CB 3.23Å; V412-L416 PolarHBondContact O-N 2.99Å; S413-L416 PolarHBondContact O-N 3.22Å; L416-Y419 HydrophobicContact CD1-CD1 4.28Å; L416-Y419 PolarHBondContact O-N 2.88Å; L416-A420 VanDerWaalsContact O-CB 3.23Å; L416-A420 WeakPolarHBondContact O-CB 3.49Å; L416-A420 PolarHBondContact O-N 3.06Å
417	L	97.4	Very high	92.3	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-42.5	173.3	-72	170.7	0	0	0	111.3	I273 T381 I384 F402 L407 S413 A420 M421 F433	I273-L417 HydrophobicContact CD1-CD1 4.12Å; T381-L417 HydrophobicContact CG2-CD1 4.39Å; T381-L417 HydrophobicContact CG2-CD2 3.83Å; T381-L417 HydrophobicContact CG2-CG 3.65Å; I384-L417 HydrophobicContact CG2-CD2 4.38Å; F402-L417 HydrophobicContact CB-CD1 4.35Å; F402-L417 HydrophobicContact CD1-CD1 3.83Å; F402-L417 HydrophobicContact CD1-CD2 4.37Å; F402-L417 HydrophobicContact CD2-CD1 4.43Å; F402-L417 HydrophobicContact CE1-CD1 4.18Å; F402-L417 HydrophobicContact CE1-CD2 3.87Å; F402-L417 HydrophobicContact CE1-CG 4.49Å; F402-L417 HydrophobicContact CE2-CB 4.32Å; F402-L417 HydrophobicContact CG-CD1 3.97Å; F402-L417 HydrophobicContact CZ-CB 4.44Å; F402-L417 HydrophobicContact CZ-CD2 4.09Å; L407-L417 HydrophobicContact CD1-CD1 4.4Å; L407-L417 HydrophobicContact CD2-CD1 3.83Å; S413-L417 WeakPolarHBondContact O-CB 3.43Å; S413-L417 WeakPolarHBondContact O-CG 3.46Å; S413-L417 PolarHBondContact O-N 3.43Å; L417-A420 PolarHBondContact O-N 2.8Å; L417-M421 WeakPolarHBondContact O-CG 3.49Å; L417-M421 PolarHBondContact O-N 2.86Å; L417-F433 HydrophobicContact CB-CE1 4.3Å; L417-F433 HydrophobicContact CB-CZ 4.11Å; L417-F433 HydrophobicContact CD1-CE1 4.27Å
418	A	96.4	Very high	92.1	Very high	5 Å²	5	51.7 Å²	51.7	4%	0.041	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-46.5	175.8	0	0	0	0	0	111.9	F246 P249 T414 K415 M421 D422 A431 F433	F246-A418 HydrophobicContact CB-CB 4.02Å; F246-A418 HydrophobicContact CD2-CB 4.22Å; P249-A418 HydrophobicContact CB-CB 3.66Å; P249-A418 HydrophobicContact CG-CB 4.2Å; T414-A418 PolarHBondContact O-N 2.82Å; K415-A418 PolarHBondContact O-N 2.92Å; A418-M421 PolarHBondContact O-N 3.34Å; A418-D422 WeakPolarHBondContact O-CB 3.32Å; A418-D422 PolarHBondContact O-N 3.23Å; A418-A431 HydrophobicContact CB-CB 4.2Å; A418-F433 HydrophobicContact CB-CE2 4.15Å; A418-F433 HydrophobicContact CB-CZ 4.32Å
419	Y	92.8	Very high	92.2	Very high	63 Å²	63	51.3 Å²	51.3	25%	0.247	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-47.9	174.6	169.4	-108.8	0	0	0	111.4	S250 K415 L416 M421 D422 F423	S250-Y419 WeakPolarHBondContact OG-CD2 3.23Å; K415-Y419 WeakPolarHBondContact O-CB 3.39Å; K415-Y419 PolarHBondContact O-N 3.31Å; L416-Y419 HydrophobicContact CD1-CD1 4.28Å; L416-Y419 PolarHBondContact O-N 2.88Å; Y419-M421 VanDerWaalsContact C-N 3.33Å; Y419-M421 PolarHBondContact O-N 3.42Å; Y419-D422 PolarHBondContact O-N 2.83Å; Y419-F423 HydrophobicContact CD2-CB 4.08Å; Y419-F423 HydrophobicContact CE1-CB 4.39Å; Y419-F423 HydrophobicContact CE1-CG 4.46Å; Y419-F423 HydrophobicContact CE2-CB 3.71Å; Y419-F423 AromaticContact CE2-CD2 3.86Å; Y419-F423 HydrophobicContact CE2-CD2 3.86Å; Y419-F423 AromaticContact CE2-CG 3.9Å; Y419-F423 HydrophobicContact CE2-CG 3.9Å; Y419-F423 AromaticContact CZ-CD2 3.9Å; Y419-F423 AromaticContact CZ-CG 3.74Å; Y419-F423 WeakPolarHBondContact O-CB 3.4Å; Y419-F423 PolarHBondContact O-N 3.36Å; Y419-F423 WeakPolarHBondContact OH-CD2 3.2Å
420	A	90.6	Very high	92.5	Very high	3 Å²	3	53 Å²	53	3%	0.025	26%	0.256	C	S	.	.	H	α-helix	trans	-63.2	-39.5	-178.4	0	0	0	0	0	112.1	L416 L417 W424	L416-A420 VanDerWaalsContact O-CB 3.23Å; L416-A420 WeakPolarHBondContact O-CB 3.49Å; L416-A420 PolarHBondContact O-N 3.06Å; L417-A420 PolarHBondContact O-N 2.8Å; A420-W424 WeakPolarHBondContact O-CB 3.41Å; A420-W424 VanDerWaalsContact O-CD1 3.24Å; A420-W424 PolarHBondContact O-N 3.46Å
421	M	94.8	Very high	92.8	Very high	1 Å²	1	53 Å²	53	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-65.3	-47	175.8	-72	-47.5	95.2	0	0	110.6	G385 R389 V400 F402 L417 A418 Y419 S425 L429 A431	G385-M421 WeakPolarHBondContact O-CE 3.48Å; R389-M421 HydrophobicContact CB-CE 4.08Å; R389-M421 HydrophobicContact CB-SD 4.32Å; V400-M421 HydrophobicContact CG2-SD 4.23Å; F402-M421 HydrophobicContact CE2-CG 3.95Å; F402-M421 HydrophobicContact CE2-SD 4.49Å; F402-M421 HydrophobicContact CZ-CE 4.29Å; F402-M421 HydrophobicContact CZ-CG 4.13Å; F402-M421 HydrophobicContact CZ-SD 4.15Å; L417-M421 WeakPolarHBondContact O-CG 3.49Å; L417-M421 PolarHBondContact O-N 2.86Å; A418-M421 PolarHBondContact O-N 3.34Å; Y419-M421 VanDerWaalsContact C-N 3.33Å; Y419-M421 PolarHBondContact O-N 3.42Å; M421-S425 WeakPolarHBondContact O-CB 3.41Å; M421-S425 PolarHBondContact O-N 2.89Å; M421-S425 PolarHBondContact O-OG 3.25Å; M421-L429 HydrophobicContact CB-CB 4.27Å; M421-L429 HydrophobicContact SD-CD1 4.15Å; M421-A431 HydrophobicContact CB-CB 4.11Å; M421-A431 HydrophobicContact CG-CB 3.82Å
422	D	92.4	Very high	93.2	Very high	53 Å²	53	49.2 Å²	49.2	28%	0.283	23%	0.233	S	C	.	.	H	α-helix	trans	-65.5	-56.9	-179	-176.4	64.5	0	0	0	112	P249 S250 A418 Y419 S425 K426 G427	P249-D422 HydrophobicContact CG-CB 3.7Å; S250-D422 PolarHBondContact OG-OD2 2.89Å; A418-D422 WeakPolarHBondContact O-CB 3.32Å; A418-D422 PolarHBondContact O-N 3.23Å; Y419-D422 PolarHBondContact O-N 2.83Å; D422-S425 PolarHBondContact O-N 3.35Å; D422-S425 PolarHBondContact O-OG 3.09Å; D422-K426 PolarHBondContact O-N 3.37Å; D422-G427 PolarHBondContact O-N 2.83Å
423	F	88.8	Confident	93.6	Very high	56 Å²	56	47.3 Å²	47.3	25%	0.246	22%	0.222	C	C	.	.	H	α-helix	trans	-62	-52.6	-173.9	-177	-96.1	0	0	0	112.6	Q347 Y419 S425 K426	Q347-F423 HydrophobicContact CG-CZ 4.14Å; Y419-F423 HydrophobicContact CD2-CB 4.08Å; Y419-F423 HydrophobicContact CE1-CB 4.39Å; Y419-F423 HydrophobicContact CE1-CG 4.46Å; Y419-F423 HydrophobicContact CE2-CB 3.71Å; Y419-F423 AromaticContact CE2-CD2 3.86Å; Y419-F423 HydrophobicContact CE2-CD2 3.86Å; Y419-F423 AromaticContact CE2-CG 3.9Å; Y419-F423 HydrophobicContact CE2-CG 3.9Å; Y419-F423 AromaticContact CZ-CD2 3.9Å; Y419-F423 AromaticContact CZ-CG 3.74Å; Y419-F423 WeakPolarHBondContact O-CB 3.4Å; Y419-F423 PolarHBondContact O-N 3.36Å; Y419-F423 WeakPolarHBondContact OH-CD2 3.2Å; F423-S425 VanDerWaalsContact C-N 3.28Å; F423-S425 PolarHBondContact O-N 3.03Å; F423-K426 PolarHBondContact O-N 2.98Å
424	W	89.8	Confident	93.7	Very high	117 Å²	117	47.3 Å²	47.3	44%	0.443	22%	0.222	S	C	.	.	H	α-helix	trans	-77.2	-13.4	-174.9	-64.3	111.4	0	0	0	113.9	L346 A420	L346-W424 HydrophobicContact CD2-CH2 3.72Å; L346-W424 HydrophobicContact CD2-CZ3 3.87Å; A420-W424 WeakPolarHBondContact O-CB 3.41Å; A420-W424 VanDerWaalsContact O-CD1 3.24Å; A420-W424 PolarHBondContact O-N 3.46Å
425	S	91.3	Very high	93.8	Very high	11 Å²	11	49.8 Å²	49.8	8%	0.077	23%	0.233	C	C	.	.	H	α-helix	trans	-103.1	-0.2	173.3	77.2	0	0	0	0	113.7	M421 D422 F423 G427 Q428 L429	M421-S425 WeakPolarHBondContact O-CB 3.41Å; M421-S425 PolarHBondContact O-N 2.89Å; M421-S425 PolarHBondContact O-OG 3.25Å; D422-S425 PolarHBondContact O-N 3.35Å; D422-S425 PolarHBondContact O-OG 3.09Å; F423-S425 VanDerWaalsContact C-N 3.28Å; F423-S425 PolarHBondContact O-N 3.03Å; S425-G427 PolarHBondContact O-N 2.93Å; S425-G427 PolarHBondContact OG-N 3.1Å; S425-Q428 WeakPolarHBondContact O-CB 3.33Å; S425-Q428 WeakPolarHBondContact O-CG 3.44Å; S425-Q428 PolarHBondContact O-N 3.24Å; S425-Q428 PolarHBondContact OG-N 2.85Å; S425-Q428 VanDerWaalsContact OG-N 3.14Å; S425-L429 PolarHBondContact OG-N 3.25Å
426	K	89.8	Confident	94	Very high	199 Å²	199	45.4 Å²	45.4	87%	0.865	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	41.8	-172.1	-54.3	179.1	178.9	-178.8	0	112.1	D422 F423 Q428	D422-K426 PolarHBondContact O-N 3.37Å; F423-K426 PolarHBondContact O-N 2.98Å; K426-Q428 VanDerWaalsContact C-N 3.34Å; K426-Q428 PolarHBondContact O-N 2.97Å
427	G	89.4	Confident	94	Very high	46 Å²	46	45 Å²	45	47%	0.474	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	3.9	178	0	0	0	0	0	115.9	D422 S425	D422-G427 PolarHBondContact O-N 2.83Å; S425-G427 PolarHBondContact O-N 2.93Å; S425-G427 PolarHBondContact OG-N 3.1Å
428	Q	92	Very high	93.9	Very high	140 Å²	140	45.2 Å²	45.2	65%	0.654	21%	0.214	S	C	*	.			trans	-74.3	-34.9	179.3	-68	-178.8	-18	0	0	113.1	S425 K426	S425-Q428 WeakPolarHBondContact O-CB 3.33Å; S425-Q428 WeakPolarHBondContact O-CG 3.44Å; S425-Q428 PolarHBondContact O-N 3.24Å; S425-Q428 PolarHBondContact OG-N 2.85Å; S425-Q428 VanDerWaalsContact OG-N 3.14Å; K426-Q428 VanDerWaalsContact C-N 3.34Å; K426-Q428 PolarHBondContact O-N 2.97Å
429	L	95.1	Very high	94	Very high	11 Å²	11	45.1 Å²	45.1	6%	0.058	21%	0.213	C	C	.	.	S	Bend	trans	-98.6	137	178.7	-59.5	-174.1	0	0	0	110.7	R389 A392 I397 E398 M421 S425	R389-L429 HydrophobicContact CB-CD1 4.15Å; R389-L429 HydrophobicContact CG-CD1 3.65Å; A392-L429 HydrophobicContact CB-CD1 3.77Å; A392-L429 HydrophobicContact CB-CD2 3.95Å; I397-L429 WeakPolarHBondContact O-CD2 3.44Å; E398-L429 WeakPolarHBondContact O-CA 3.49Å; M421-L429 HydrophobicContact CB-CB 4.27Å; M421-L429 HydrophobicContact SD-CD1 4.15Å; S425-L429 PolarHBondContact OG-N 3.25Å
430	R	94.2	Very high	94.3	Very high	144 Å²	144	42.2 Å²	42.2	54%	0.543	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.9	174.6	-172.9	173.3	-68.5	173	0.2	110.6	E398 V400 L432	E398-R430 PolarHBondContact O-N 2.82Å; V400-R430 PolarHBondContact N-O 3.33Å; R430-L432 HydrophobicContact CG-CD2 3.95Å
431	A	97.3	Very high	94.6	Very high	6 Å²	6	42.2 Å²	42.2	5%	0.05	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	128.5	167.3	0	0	0	0	0	110.2	Y245 V400 F402 A418 M421 F433	Y245-A431 WeakPolarHBondContact CB-O 3.4Å; V400-A431 CarbonylContact O-C 3.59Å; V400-A431 WeakPolarHBondContact O-CA 3.49Å; F402-A431 HydrophobicContact CD2-CB 4.12Å; F402-A431 HydrophobicContact CE2-CB 3.82Å; A418-A431 HydrophobicContact CB-CB 4.2Å; M421-A431 HydrophobicContact CB-CB 4.11Å; M421-A431 HydrophobicContact CG-CB 3.82Å; A431-F433 HydrophobicContact CB-CE2 3.86Å; A431-F433 HydrophobicContact CB-CZ 3.75Å
432	L	97.3	Very high	94.8	Very high	13 Å²	13	42.1 Å²	42.1	7%	0.068	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	147.5	175.5	-59.2	179.8	0	0	0	108.8	L262 R399 V400 V401 F402 R430	L262-L432 HydrophobicContact CD1-CD1 4.09Å; R399-L432 HydrophobicContact CB-CD1 4.14Å; R399-L432 HydrophobicContact CG-CD1 4.34Å; V400-L432 PolarHBondContact O-N 2.88Å; V401-L432 CarbonylContact C-O 3.59Å; V401-L432 WeakPolarHBondContact CA-O 3.31Å; V401-L432 HydrophobicContact CB-CB 4.48Å; V401-L432 HydrophobicContact CG2-CB 4.04Å; V401-L432 HydrophobicContact CG2-CD1 4.05Å; F402-L432 PolarHBondContact N-O 2.92Å; R430-L432 HydrophobicContact CG-CD2 3.95Å
433	F	97.9	Very high	95.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	165.2	-178.7	-52.9	-79.5	0	0	0	109.4	C243 Y244 F246 F402 L407 T414 L417 A418 A431	C243-F433 VanDerWaalsContact CA-O 3.32Å; C243-F433 WeakPolarHBondContact CA-O 3.45Å; C243-F433 PolarHBondContact SG-O 3.01Å; Y244-F433 HydrophobicContact CD1-CB 4.2Å; Y244-F433 HydrophobicContact CD2-CB 4.04Å; Y244-F433 HydrophobicContact CD2-CD2 4.24Å; Y244-F433 HydrophobicContact CE1-CB 3.69Å; Y244-F433 HydrophobicContact CE2-CB 3.53Å; Y244-F433 AromaticContact CE2-CD2 3.9Å; Y244-F433 HydrophobicContact CE2-CD2 3.9Å; Y244-F433 AromaticContact CE2-CG 4Å; Y244-F433 HydrophobicContact CE2-CG 4Å; Y244-F433 HydrophobicContact CG-CB 4.36Å; Y244-F433 PolarHBondContact N-O 3.31Å; Y244-F433 PolarHBondContact O-N 2.87Å; F246-F433 HydrophobicContact CD2-CD2 4.35Å; F246-F433 HydrophobicContact CD2-CE2 4.03Å; F246-F433 HydrophobicContact CE2-CE2 4.45Å; F402-F433 HydrophobicContact CB-CD1 3.95Å; F402-F433 HydrophobicContact CB-CE1 3.86Å; F402-F433 AromaticContact CD2-CE1 3.9Å; F402-F433 HydrophobicContact CD2-CE1 3.9Å; F402-F433 HydrophobicContact CD2-CZ 4.31Å; F402-F433 HydrophobicContact CG-CE1 4.18Å; L407-F433 HydrophobicContact CD1-CD1 4.04Å; L407-F433 HydrophobicContact CD1-CE1 4.26Å; T414-F433 HydrophobicContact CG2-CB 4.33Å; T414-F433 HydrophobicContact CG2-CD1 3.36Å; T414-F433 HydrophobicContact CG2-CD2 3.62Å; T414-F433 HydrophobicContact CG2-CE1 3.37Å; T414-F433 HydrophobicContact CG2-CE2 3.65Å; T414-F433 HydrophobicContact CG2-CG 3.47Å; T414-F433 VanDerWaalsContact CG2-CG 3.47Å; T414-F433 HydrophobicContact CG2-CZ 3.52Å; T414-F433 WeakPolarHBondContact O-CZ 3.27Å; L417-F433 HydrophobicContact CB-CE1 4.3Å; L417-F433 HydrophobicContact CB-CZ 4.11Å; L417-F433 HydrophobicContact CD1-CE1 4.27Å; A418-F433 HydrophobicContact CB-CE2 4.15Å; A418-F433 HydrophobicContact CB-CZ 4.32Å; A431-F433 HydrophobicContact CB-CE2 3.86Å; A431-F433 HydrophobicContact CB-CZ 3.75Å
434	L	97.1	Very high	95.5	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.3	-176.9	-59.1	168	0	0	0	109.4	L229 E242 C243 L262 V401 V403 H436 E437 F440	L229-L434 HydrophobicContact CD1-CD1 3.58Å; L229-L434 HydrophobicContact CD2-CD1 4.32Å; L229-L434 HydrophobicContact CG-CD1 3.61Å; E242-L434 HydrophobicContact CG-CB 4.22Å; E242-L434 HydrophobicContact CG-CD2 3.72Å; E242-L434 WeakPolarHBondContact O-CA 3.39Å; C243-L434 HydrophobicContact CB-CD2 3.53Å; L262-L434 HydrophobicContact CD1-CD2 4.39Å; V401-L434 HydrophobicContact CG1-CD1 3.94Å; V401-L434 HydrophobicContact CG1-CG 4.24Å; V403-L434 HydrophobicContact CG1-CD1 3.7Å; V403-L434 HydrophobicContact CG1-CG 4.45Å; L434-H436 VanDerWaalsContact C-N 3.32Å; L434-H436 PolarHBondContact O-N 2.89Å; L434-E437 WeakPolarHBondContact O-CB 3.28Å; L434-E437 PolarHBondContact O-N 3.46Å; L434-F440 HydrophobicContact CB-CE2 3.95Å; L434-F440 HydrophobicContact CB-CZ 3.59Å; L434-F440 HydrophobicContact CD1-CD2 4.44Å; L434-F440 HydrophobicContact CD1-CE1 4.45Å; L434-F440 HydrophobicContact CD1-CE2 3.42Å; L434-F440 VanDerWaalsContact CD1-CE2 3.42Å; L434-F440 HydrophobicContact CD1-CZ 3.46Å; L434-F440 VanDerWaalsContact CD1-CZ 3.46Å; L434-F440 HydrophobicContact CG-CE2 4.31Å; L434-F440 HydrophobicContact CG-CZ 4.12Å
435	E	97.6	Very high	95.9	Very high	54 Å²	54	31.4 Å²	31.4	25%	0.252	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-32.8	-177.3	-55.7	-72.2	-169.2	0	0	112	L151 F237 E242 Y244 K257 E437	L151-E435 WeakPolarHBondContact CD2-O 3.37Å; F237-E435 HydrophobicContact CD1-CB 4.11Å; F237-E435 HydrophobicContact CD1-CG 3.9Å; F237-E435 HydrophobicContact CE1-CB 4.3Å; F237-E435 HydrophobicContact CE1-CG 4.27Å; E242-E435 PolarHBondContact O-N 3.23Å; E242-E435 PolarHBondContact OE1-N 2.86Å; E242-E435 VanDerWaalsContact OE1-N 3.08Å; Y244-E435 HydrophobicContact CD1-CG 4.35Å; Y244-E435 HydrophobicContact CE1-CG 4.45Å; K257-E435 WeakPolarHBondContact CE-OE1 3.34Å; K257-E435 IonicContact NZ-OE1 2.99Å; K257-E435 PolarHBondContact NZ-OE1 3.19Å; K257-E435 IonicContact NZ-OE2 3.61Å; K257-E435 PolarHBondContact NZ-OE2 3.17Å; E435-E437 VanDerWaalsContact C-N 3.34Å; E435-E437 PolarHBondContact O-N 2.64Å
436	H	98.1	Very high	96.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	27.2	-179.7	-59.8	79.4	0	0	0	113.2	L151 F167 I232 F237 E242 L434 G438 Y439 F440	L151-H436 PolarHBondContact O-NE2 3.08Å; F167-H436 AromaticContact CE1-CD2 3.75Å; F167-H436 AromaticContact CE2-CD2 3.56Å; F167-H436 AromaticContact CE2-NE2 3.66Å; F167-H436 AromaticContact CZ-CD2 3.36Å; F167-H436 WeakPolarHBondContact CZ-CD2 3.44Å; F167-H436 AromaticContact CZ-NE2 3.79Å; I232-H436 HydrophobicContact CG2-CB 4.3Å; F237-H436 AromaticContact CD2-CE1 3.68Å; F237-H436 AromaticContact CG-CE1 3.88Å; E242-H436 WeakPolarHBondContact OE1-CB 3.48Å; E242-H436 IonicContact OE1-CG 3.62Å; E242-H436 PolarHBondContact OE1-N 3.15Å; E242-H436 IonicContact OE1-ND1 3.91Å; E242-H436 PolarHBondContact OE1-ND1 2.86Å; E242-H436 VanDerWaalsContact OE1-ND1 3.09Å; E242-H436 IonicContact OE2-CE1 2.85Å; E242-H436 PolarHBondContact OE2-CE1 3.3Å; E242-H436 IonicContact OE2-CG 2.85Å; E242-H436 IonicContact OE2-ND1 3.62Å; E242-H436 PolarHBondContact OE2-ND1 3.04Å; L434-H436 VanDerWaalsContact C-N 3.32Å; L434-H436 PolarHBondContact O-N 2.89Å; H436-G438 PolarHBondContact O-N 3.25Å; H436-Y439 PolarHBondContact O-N 3.29Å; H436-F440 HydrophobicContact CB-CE1 3.82Å; H436-F440 HydrophobicContact CB-CZ 4Å; H436-F440 WeakPolarHBondContact O-CZ 3.46Å
437	E	93.4	Very high	96.4	Very high	20 Å²	20	22.4 Å²	22.4	9%	0.093	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.8	-31.1	-171.2	61.8	-160.6	175.4	0	0	116.2	G404 L407 R408 L434 E435	G404-E437 WeakPolarHBondContact CA-O 3.3Å; G404-E437 PolarHBondContact N-O 2.98Å; L407-E437 WeakPolarHBondContact CB-OE2 3.18Å; L407-E437 VanDerWaalsContact O-OE1 3.12Å; R408-E437 WeakPolarHBondContact CA-OE1 3.5Å; R408-E437 PolarHBondContact N-OE1 3.25Å; L434-E437 WeakPolarHBondContact O-CB 3.28Å; L434-E437 PolarHBondContact O-N 3.46Å; E435-E437 VanDerWaalsContact C-N 3.34Å; E435-E437 PolarHBondContact O-N 2.64Å
438	G	96	Very high	96.5	Very high	7 Å²	7	22.3 Å²	22.3	7%	0.072	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-11.2	-177.7	0	0	0	0	0	116.7	K107 N405 H436	K107-G438 VanDerWaalsContact CE-O 3.22Å; K107-G438 WeakPolarHBondContact CE-O 3.47Å; K107-G438 WeakPolarHBondContact CG-O 3.31Å; N405-G438 WeakPolarHBondContact ND2-CA 3.5Å; N405-G438 PolarHBondContact ND2-O 2.92Å; H436-G438 PolarHBondContact O-N 3.25Å
439	Y	98.6	Very high	96.4	Very high	3 Å²	3	16.5 Å²	16.5	1%	0.012	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-7.4	-158.6	-73.7	-77.7	0	0	0	115.9	K107 V109 D148 L151 F167 I168 R169 H436 G441 A442 V443	K107-Y439 HydrophobicContact CB-CD1 3.81Å; K107-Y439 HydrophobicContact CB-CE1 3.94Å; K107-Y439 HydrophobicContact CG-CD1 4.13Å; K107-Y439 HydrophobicContact CG-CE1 4.07Å; V109-Y439 HydrophobicContact CG2-CD1 4.37Å; D148-Y439 PolarHBondContact OD2-OH 3.02Å; L151-Y439 HydrophobicContact CD1-CD2 3.95Å; L151-Y439 HydrophobicContact CD1-CE2 3.74Å; F167-Y439 HydrophobicContact CB-CD1 3.99Å; F167-Y439 HydrophobicContact CB-CD2 4.1Å; F167-Y439 HydrophobicContact CB-CE1 3.82Å; F167-Y439 HydrophobicContact CB-CE2 3.92Å; F167-Y439 HydrophobicContact CB-CG 4.13Å; F167-Y439 AromaticContact CD1-CD1 3.75Å; F167-Y439 HydrophobicContact CD1-CD1 3.75Å; F167-Y439 AromaticContact CD1-CD2 3.95Å; F167-Y439 HydrophobicContact CD1-CD2 3.95Å; F167-Y439 HydrophobicContact CD1-CE1 4.45Å; F167-Y439 AromaticContact CD1-CG 3.47Å; F167-Y439 HydrophobicContact CD1-CG 3.47Å; F167-Y439 VanDerWaalsContact CD1-CG 3.47Å; F167-Y439 HydrophobicContact CE1-CG 4.31Å; F167-Y439 HydrophobicContact CG-CD1 4.37Å; F167-Y439 HydrophobicContact CG-CD2 4.32Å; F167-Y439 HydrophobicContact CG-CG 4.2Å; I168-Y439 WeakPolarHBondContact O-CE1 3.45Å; R169-Y439 HydrophobicContact CB-CE1 4.45Å; R169-Y439 WeakPolarHBondContact CB-OH 3.28Å; R169-Y439 WeakPolarHBondContact CD-OH 3.33Å; R169-Y439 WeakPolarHBondContact CG-OH 3.35Å; H436-Y439 PolarHBondContact O-N 3.29Å; Y439-G441 VanDerWaalsContact C-N 3.33Å; Y439-G441 PolarHBondContact O-N 2.71Å; Y439-A442 PolarHBondContact O-N 3.06Å; Y439-V443 PolarHBondContact O-N 2.95Å
440	F	98.4	Very high	96	Very high	1 Å²	1	16.5 Å²	16.5	0%	0.004	8%	0.076	C	C	.	.	H	α-helix	trans	-58.3	-38	-173.5	-59.1	-50.6	0	0	0	114.5	L225 G228 L229 I232 V403 L434 H436 A442 V443 G444	L225-F440 HydrophobicContact CD1-CB 3.73Å; L225-F440 HydrophobicContact CD1-CD2 4.22Å; L225-F440 HydrophobicContact CD1-CG 4.46Å; G228-F440 WeakPolarHBondContact CA-O 3.36Å; L229-F440 VanDerWaalsContact CA-CD1 3.45Å; L229-F440 HydrophobicContact CB-CB 4.22Å; L229-F440 HydrophobicContact CB-CD1 4.07Å; L229-F440 HydrophobicContact CB-CD2 4.16Å; L229-F440 HydrophobicContact CB-CG 3.88Å; L229-F440 HydrophobicContact CD1-CD2 4.39Å; L229-F440 HydrophobicContact CD1-CE2 4.49Å; L229-F440 HydrophobicContact CG-CD2 4.42Å; L229-F440 HydrophobicContact CG-CE2 4.46Å; I232-F440 HydrophobicContact CB-CD1 4.28Å; I232-F440 HydrophobicContact CB-CE1 3.88Å; I232-F440 HydrophobicContact CG1-CD1 4.1Å; I232-F440 HydrophobicContact CG1-CE1 4.1Å; I232-F440 HydrophobicContact CG2-CE1 4.07Å; V403-F440 HydrophobicContact CB-CD2 4.32Å; V403-F440 HydrophobicContact CB-CE2 4.21Å; V403-F440 HydrophobicContact CG1-CD2 4.16Å; V403-F440 HydrophobicContact CG1-CE2 3.76Å; L434-F440 HydrophobicContact CB-CE2 3.95Å; L434-F440 HydrophobicContact CB-CZ 3.59Å; L434-F440 HydrophobicContact CD1-CD2 4.44Å; L434-F440 HydrophobicContact CD1-CE1 4.45Å; L434-F440 HydrophobicContact CD1-CE2 3.42Å; L434-F440 VanDerWaalsContact CD1-CE2 3.42Å; L434-F440 HydrophobicContact CD1-CZ 3.46Å; L434-F440 VanDerWaalsContact CD1-CZ 3.46Å; L434-F440 HydrophobicContact CG-CE2 4.31Å; L434-F440 HydrophobicContact CG-CZ 4.12Å; H436-F440 HydrophobicContact CB-CE1 3.82Å; H436-F440 HydrophobicContact CB-CZ 4Å; H436-F440 WeakPolarHBondContact O-CZ 3.46Å; F440-A442 VanDerWaalsContact C-N 3.33Å; F440-A442 PolarHBondContact O-N 3.31Å; F440-V443 PolarHBondContact O-N 3.27Å; F440-G444 PolarHBondContact O-N 3.44Å
441	G	98.4	Very high	95.4	Very high	3 Å²	3	13.9 Å²	13.9	3%	0.031	7%	0.068	C	C	.	.	H	α-helix	trans	-59.1	-44.2	174.9	0	0	0	0	0	112.4	T197 C224 Y439 G444 A445	T197-G441 WeakPolarHBondContact CG2-O 3.44Å; C224-G441 WeakPolarHBondContact CB-O 3.38Å; Y439-G441 VanDerWaalsContact C-N 3.33Å; Y439-G441 PolarHBondContact O-N 2.71Å; G441-G444 PolarHBondContact O-N 3.08Å; G441-A445 PolarHBondContact O-N 3.4Å
442	A	98.6	Very high	93.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-67.7	-38.5	178.1	0	0	0	0	0	111.8	G98 D100 K107 V109 Y439 F440 A445 L446	G98-A442 CarbonylContact C-O 3.58Å; G98-A442 WeakPolarHBondContact CA-O 3.33Å; D100-A442 HydrophobicContact CB-CB 4Å; K107-A442 HydrophobicContact CB-CB 4.16Å; V109-A442 HydrophobicContact CB-CB 4.29Å; V109-A442 HydrophobicContact CG2-CB 3.65Å; Y439-A442 PolarHBondContact O-N 3.06Å; F440-A442 VanDerWaalsContact C-N 3.33Å; F440-A442 PolarHBondContact O-N 3.31Å; A442-A445 PolarHBondContact O-N 3.04Å; A442-L446 PolarHBondContact O-N 3.26Å
443	V	98.4	Very high	91.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.8	-45.1	172.7	178.5	0	0	0	0	111	V109 F167 F231 I232 Y439 F440 A445 L446 M447	V109-V443 HydrophobicContact CG1-CG2 4.41Å; V109-V443 HydrophobicContact CG2-CG2 3.84Å; F167-V443 HydrophobicContact CE1-CG2 3.91Å; F231-V443 HydrophobicContact CD1-CG1 3.63Å; F231-V443 HydrophobicContact CE1-CG1 4.27Å; F231-V443 HydrophobicContact CG-CG1 4.42Å; I232-V443 HydrophobicContact CD1-CG1 4.06Å; I232-V443 HydrophobicContact CD1-CG2 3.97Å; I232-V443 HydrophobicContact CG1-CB 4.46Å; I232-V443 HydrophobicContact CG1-CG1 4.03Å; I232-V443 HydrophobicContact CG1-CG2 4.07Å; Y439-V443 PolarHBondContact O-N 2.95Å; F440-V443 PolarHBondContact O-N 3.27Å; V443-A445 VanDerWaalsContact C-N 3.28Å; V443-A445 PolarHBondContact O-N 2.89Å; V443-L446 WeakPolarHBondContact O-CB 3.21Å; V443-L446 PolarHBondContact O-N 3.04Å; V443-L446 VanDerWaalsContact O-N 3.14Å; V443-M447 HydrophobicContact CG1-CG 4.5Å; V443-M447 WeakPolarHBondContact O-CG 3.27Å; V443-M447 PolarHBondContact O-N 3.31Å
444	G	97.8	Very high	88.5	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.4	-35.2	177.9	0	0	0	0	0	113.2	C224 F440 G441 M447 E448	C224-G444 WeakPolarHBondContact O-CA 3.41Å; F440-G444 PolarHBondContact O-N 3.44Å; G441-G444 PolarHBondContact O-N 3.08Å; G444-M447 PolarHBondContact O-N 2.79Å; G444-E448 PolarHBondContact O-N 3.19Å
445	A	97.8	Very high	85.4	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.7	-42	172.5	0	0	0	0	0	111.9	C195 T197 L219 G441 A442 V443 M447 E448 L449	C195-A445 HydrophobicContact CB-CB 4.28Å; C195-A445 VanDerWaalsContact CB-O 3.26Å; C195-A445 WeakPolarHBondContact CB-O 3.42Å; T197-A445 HydrophobicContact CG2-CB 4.32Å; L219-A445 HydrophobicContact CD1-CB 3.98Å; G441-A445 PolarHBondContact O-N 3.4Å; A442-A445 PolarHBondContact O-N 3.04Å; V443-A445 VanDerWaalsContact C-N 3.28Å; V443-A445 PolarHBondContact O-N 2.89Å; A445-M447 VanDerWaalsContact C-N 3.29Å; A445-M447 PolarHBondContact O-N 2.75Å; A445-E448 PolarHBondContact O-N 2.75Å; A445-L449 PolarHBondContact O-N 3.04Å
446	L	96.7	Very high	82.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.8	-39.2	172.4	173.1	63.4	0	0	0	111.4	W96 V109 M158 L165 A442 V443 E448 L449 L450	W96-L446 HydrophobicContact CB-CD1 3.88Å; V109-L446 HydrophobicContact CG1-CD2 3.87Å; M158-L446 HydrophobicContact CE-CD2 4.21Å; L165-L446 HydrophobicContact CD1-CD2 3.64Å; A442-L446 PolarHBondContact O-N 3.26Å; V443-L446 WeakPolarHBondContact O-CB 3.21Å; V443-L446 PolarHBondContact O-N 3.04Å; V443-L446 VanDerWaalsContact O-N 3.14Å; L446-E448 PolarHBondContact O-N 2.7Å; L446-L449 HydrophobicContact CD1-CD2 4.31Å; L446-L449 WeakPolarHBondContact O-CB 3.37Å; L446-L449 PolarHBondContact O-N 3.16Å; L446-L450 WeakPolarHBondContact O-CG 3.5Å; L446-L450 PolarHBondContact O-N 3.32Å
447	M	94.3	Very high	81.6	Confident	21 Å²	21	38.2 Å²	38.2	10%	0.103	20%	0.197	C	C	.	.	H	α-helix	trans	-63.1	-32.9	178.8	-70.1	-54.1	91.5	0	0	112	M158 R227 F231 V443 G444 A445 L450 K451	M158-M447 HydrophobicContact CE-CE 3.03Å; M158-M447 HydrophobicContact CE-SD 4.19Å; R227-M447 HydrophobicContact CG-CB 4.31Å; R227-M447 HydrophobicContact CG-CG 4.45Å; F231-M447 HydrophobicContact CB-CG 4.46Å; F231-M447 HydrophobicContact CD1-CE 4.49Å; F231-M447 HydrophobicContact CD1-SD 4.23Å; F231-M447 HydrophobicContact CD2-SD 3.56Å; F231-M447 VanDerWaalsContact CD2-SD 3.56Å; F231-M447 HydrophobicContact CE1-CE 4.27Å; F231-M447 HydrophobicContact CE1-SD 4.37Å; F231-M447 HydrophobicContact CE2-CE 4.41Å; F231-M447 HydrophobicContact CE2-SD 3.72Å; F231-M447 HydrophobicContact CG-CG 4.33Å; F231-M447 HydrophobicContact CG-SD 3.83Å; F231-M447 HydrophobicContact CZ-CE 4.23Å; F231-M447 HydrophobicContact CZ-SD 4.13Å; V443-M447 HydrophobicContact CG1-CG 4.5Å; V443-M447 WeakPolarHBondContact O-CG 3.27Å; V443-M447 PolarHBondContact O-N 3.31Å; G444-M447 PolarHBondContact O-N 2.79Å; A445-M447 VanDerWaalsContact C-N 3.29Å; A445-M447 PolarHBondContact O-N 2.75Å; M447-L450 HydrophobicContact CE-CD1 4.04Å; M447-L450 PolarHBondContact O-N 3.48Å; M447-K451 PolarHBondContact O-N 3.49Å; M447-K451 VanDerWaalsContact O-N 3.17Å
448	E	92.5	Very high	80.9	Confident	45 Å²	45	39.2 Å²	39.2	21%	0.21	20%	0.202	C	C	.	.	H	α-helix	trans	-69.2	-41.8	178	-169	65	-166.7	0	0	112	L219 R227 G444 A445 L446 L450 K451 T452	L219-E448 HydrophobicContact CD1-CB 3.55Å; L219-E448 HydrophobicContact CD1-CG 3.86Å; L219-E448 HydrophobicContact CD2-CB 4.38Å; L219-E448 HydrophobicContact CD2-CG 3.74Å; L219-E448 HydrophobicContact CG-CG 4.46Å; R227-E448 IonicContact CZ-OE2 2.74Å; R227-E448 IonicContact NH1-OE2 3.51Å; R227-E448 PolarHBondContact NH1-OE2 3.46Å; R227-E448 IonicContact NH2-OE2 3.43Å; G444-E448 PolarHBondContact O-N 3.19Å; A445-E448 PolarHBondContact O-N 2.75Å; L446-E448 PolarHBondContact O-N 2.7Å; E448-L450 PolarHBondContact O-N 2.91Å; E448-L450 VanDerWaalsContact O-N 3.16Å; E448-K451 PolarHBondContact O-N 3.02Å; E448-T452 PolarHBondContact O-N 3.39Å; E448-T452 VanDerWaalsContact O-N 3.16Å; E448-T452 PolarHBondContact O-OG1 2.97Å
449	L	89.9	Confident	80.1	Confident	17 Å²	17	40.9 Å²	40.9	9%	0.089	21%	0.21	C	C	.	.	H	α-helix	trans	-51.1	-41.7	173.3	179.8	63.7	0	0	0	111.4	P92 W96 C195 A445 L446 T452	P92-L449 HydrophobicContact CB-CD1 4.27Å; P92-L449 HydrophobicContact CB-CG 4.43Å; P92-L449 HydrophobicContact CG-CD1 4.32Å; P92-L449 HydrophobicContact CG-CG 3.99Å; W96-L449 HydrophobicContact CB-CD2 4.43Å; C195-L449 HydrophobicContact CB-CB 4.45Å; A445-L449 PolarHBondContact O-N 3.04Å; L446-L449 HydrophobicContact CD1-CD2 4.31Å; L446-L449 WeakPolarHBondContact O-CB 3.37Å; L446-L449 PolarHBondContact O-N 3.16Å; L449-T452 PolarHBondContact O-OG1 3.29Å
450	L	86.3	Confident	79	Confident	11 Å²	11	43.2 Å²	43.2	6%	0.058	22%	0.221	C	C	.	.	H	α-helix	trans	-77.5	-25.3	-176.8	-62.1	-177.1	0	0	0	113.4	P92 W96 M158 L446 M447 E448	P92-L450 HydrophobicContact CG-CD2 4.05Å; W96-L450 HydrophobicContact CD2-CD2 3.73Å; W96-L450 HydrophobicContact CE3-CD1 4.47Å; W96-L450 HydrophobicContact CE3-CD2 3.76Å; W96-L450 HydrophobicContact CG-CD2 4.33Å; W96-L450 HydrophobicContact CH2-CD2 4.11Å; W96-L450 HydrophobicContact CZ2-CD2 4.07Å; W96-L450 HydrophobicContact CZ3-CD2 3.96Å; M158-L450 HydrophobicContact CE-CD1 3.72Å; L446-L450 WeakPolarHBondContact O-CG 3.5Å; L446-L450 PolarHBondContact O-N 3.32Å; M447-L450 HydrophobicContact CE-CD1 4.04Å; M447-L450 PolarHBondContact O-N 3.48Å; E448-L450 PolarHBondContact O-N 2.91Å; E448-L450 VanDerWaalsContact O-N 3.16Å
451	K	80.6	Confident	77.8	Confident	89 Å²	89	45.8 Å²	45.8	39%	0.387	24%	0.235	S	C	.	.	H	α-helix	trans	-72.2	-41.4	173.3	-77.3	-177.1	177.3	-171.6	0	112.6	M447 E448 S453 E454	M447-K451 PolarHBondContact O-N 3.49Å; M447-K451 VanDerWaalsContact O-N 3.17Å; E448-K451 PolarHBondContact O-N 3.02Å; K451-S453 PolarHBondContact O-N 3.32Å; K451-E454 PolarHBondContact O-N 3.41Å
452	T	57.3	Low	76.4	Confident	59 Å²	59	48.7 Å²	48.7	36%	0.362	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-12.5	-177.9	36.6	0	0	0	0	114.6	E448 L449 L456	E448-T452 PolarHBondContact O-N 3.39Å; E448-T452 VanDerWaalsContact O-N 3.16Å; E448-T452 PolarHBondContact O-OG1 2.97Å; L449-T452 PolarHBondContact O-OG1 3.29Å; T452-L456 WeakPolarHBondContact O-CD1 3.24Å
453	S	49.9	Very low	74.8	Confident	15 Å²	15	52.1 Å²	52.1	11%	0.105	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-18.4	170.9	-83.1	0	0	0	0	116.1	N90 R91 P92 K451 D455	N90-S453 VanDerWaalsContact C-CB 3.41Å; N90-S453 WeakPolarHBondContact CB-O 3.42Å; N90-S453 PolarHBondContact ND2-O 3.4Å; N90-S453 WeakPolarHBondContact O-CB 3.42Å; R91-S453 VanDerWaalsContact CA-OG 3.27Å; R91-S453 WeakPolarHBondContact CA-OG 3.48Å; P92-S453 WeakPolarHBondContact CD-OG 3.44Å; K451-S453 PolarHBondContact O-N 3.32Å; S453-D455 VanDerWaalsContact C-N 3.35Å
454	E	40.1	Very low	73	Confident	145 Å²	145	56.2 Å²	56.2	68%	0.678	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-23.3	177.9	-69	-170.6	160.5	0	0	111.9	K451	K451-E454 PolarHBondContact O-N 3.41Å
455	D	33.4	Very low	71	Confident	152 Å²	152	60.8 Å²	60.8	81%	0.813	31%	0.311	S	S	*	.			trans	-98.7	3.8	-179.4	-68.2	-33.4	0	0	0	114.6	S453	S453-D455 VanDerWaalsContact C-N 3.35Å
456	L	32.8	Very low	68.5	Low	176 Å²	176	66.4 Å²	66.4	92%	0.921	34%	0.339	S	S	*	.			trans	-108	0	170.6	-76.5	169.4	0	0	0	110.6	N90 T452	N90-L456 PolarHBondContact ND2-OXT 3.34Å; T452-L456 WeakPolarHBondContact O-CD1 3.24Å

Retrieved 456 of 456 residues in 329.4 ms (Link to these results)

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