A0A087XQK8_POEFO Loading...

ADP-ribose pyrophosphatase, mitochondrial

Hydrolyzes ADP-ribose (ADPR) to AMP and ribose 5'-phosphate.

AlphaFold DB , UniProt , Accession A0A087XQK8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 392 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	Very low	30.7	Very low	234 Å²	234	163.4 Å²	163.4	100%	1.153	79%	0.793	S	S	*	*				0	129.6	0	-64.7	177.4	-176	0	0	107.5
2	R	31.9	Very low	30.7	Very low	235 Å²	235	159.2 Å²	159.2	89%	0.887	79%	0.793	S	S	*	*				48.5	123.2	110.9	-72.1	-177.4	175.7	-170.4	-0.7	113.8
3	K	33.8	Very low	30.5	Very low	173 Å²	173	156.1 Å²	156.1	75%	0.752	80%	0.796	S	S	*	*			cis	-151.5	144.3	6.1	-84.9	172.4	177.8	-179.3	0	107.5
4	T	34.1	Very low	30.4	Very low	112 Å²	112	153 Å²	153	69%	0.687	79%	0.793	S	S	*	*				53.4	135.6	71.1	68.6	0	0	0	0	114.5
5	F	29.7	Very low	30.4	Very low	181 Å²	181	151.1 Å²	151.1	79%	0.794	79%	0.792	S	S	*	*			cis	-135.4	166.6	28.6	-86	-108.4	0	0	0	111.5
6	R	32.7	Very low	30.4	Very low	195 Å²	195	152.6 Å²	152.6	74%	0.736	79%	0.792	S	S	*	*				56.8	149.7	58.4	-69	-167.8	177.8	-163.7	1	114
7	F	29.4	Very low	30.5	Very low	162 Å²	162	152.7 Å²	152.7	71%	0.711	79%	0.794	S	S	*	*			cis	-167.8	172.3	-2.2	-106.6	-173.8	0	0	0	106.4
8	C	26.8	Very low	31.1	Very low	92 Å²	92	150 Å²	150	62%	0.622	79%	0.787	S	S	*	*			cis	-156.5	166.9	-6.5	-116.3	0	0	0	0	108
9	K	28.4	Very low	31.1	Very low	193 Å²	193	148.8 Å²	148.8	84%	0.839	79%	0.787	S	S	*	*				44.2	126.4	83.5	-129.6	174.7	-173	179.7	0	114.2
10	V	29.3	Very low	31	Very low	126 Å²	126	147.1 Å²	147.1	76%	0.764	79%	0.787	S	S	*	*				-175	145.8	77.8	156.3	0	0	0	0	111.9
11	A	28.8	Very low	30.9	Very low	94 Å²	94	145.5 Å²	145.5	78%	0.777	79%	0.788	S	S	*	*			trans	18.8	172.4	143.5	0	0	0	0	0	122.8
12	S	30.2	Very low	30.8	Very low	113 Å²	113	145.5 Å²	145.5	79%	0.79	78%	0.775	S	S	*	*			cis	169.1	135.5	-25.5	174.7	0	0	0	0	108
13	S	28.6	Very low	30.7	Very low	119 Å²	119	144.1 Å²	144.1	83%	0.832	78%	0.775	S	S	*	*			trans	-166.4	152.1	159.6	51.5	0	0	0	0	113.1
14	C	28.9	Very low	30.4	Very low	113 Å²	113	139 Å²	139	76%	0.764	77%	0.771	S	S	*	*			trans	-99.7	162.7	172.5	-56.3	0	0	0	0	110.5
15	T	30.8	Very low	30.1	Very low	125 Å²	125	140.7 Å²	140.7	77%	0.767	78%	0.781	S	S	*	*				168	162.4	113.6	40.3	0	0	0	0	114.1
16	H	30.6	Very low	30.1	Very low	174 Å²	174	142.4 Å²	142.4	81%	0.806	78%	0.784	S	S	*	*			trans	67.5	104.3	156	-73.5	-62.7	0	0	0	123
17	L	31.1	Very low	29.8	Very low	155 Å²	155	142.8 Å²	142.8	81%	0.812	79%	0.791	S	S	*	*			trans	-58	156.4	133.2	-87.4	167.3	0	0	0	110.8
18	P	42	Very low	29.8	Very low	104 Å²	104	142.5 Å²	142.5	68%	0.675	80%	0.796	S	S	*	*				-157.5	165.2	63.6	42.8	-21.4	0	0	0	121.7
19	T	30.6	Very low	29.8	Very low	128 Å²	128	146 Å²	146	79%	0.785	81%	0.808	S	S	*	*			trans	68.6	137.8	142.7	46.9	0	0	0	0	125
20	S	29	Very low	29.9	Very low	114 Å²	114	142.3 Å²	142.3	80%	0.797	80%	0.802	S	S	*	*			trans	74.5	121.2	145.1	-157.4	0	0	0	0	118.3
21	S	29.2	Very low	29.8	Very low	113 Å²	113	140.5 Å²	140.5	79%	0.79	80%	0.8	S	S	*	*				-167.9	-180	64.6	54.1	0	0	0	0	113.9
22	R	30.8	Very low	29.8	Very low	234 Å²	234	144.5 Å²	144.5	88%	0.883	80%	0.804	S	S	*	*			trans	-92.3	145.4	-173.8	-61	172.2	175.8	166	-3.8	113.6
23	K	30	Very low	29.7	Very low	207 Å²	207	144.6 Å²	144.6	90%	0.9	81%	0.805	S	S	*	*			trans	156.5	138.9	140	-83	151.9	-164.4	-178.5	0	107
24	G	27.6	Very low	29.6	Very low	65 Å²	65	142.3 Å²	142.3	67%	0.67	80%	0.8	S	S	*	*			cis	114	79.2	17.3	0	0	0	0	0	108.9
25	V	28.7	Very low	29.6	Very low	147 Å²	147	145 Å²	145	89%	0.891	81%	0.806	S	S	*	*			trans	-110.1	131	-176.4	-179.7	0	0	0	0	109.1
26	Y	29	Very low	29.5	Very low	218 Å²	218	144 Å²	144	86%	0.855	80%	0.804	S	S	*	*			trans	-86.7	153.8	-177.8	-87.3	-106	0	0	0	112.2
27	F	26.9	Very low	29.5	Very low	203 Å²	203	146.8 Å²	146.8	89%	0.89	81%	0.808	S	S	*	*			trans	-58.9	145.2	158.8	-98.7	-107.7	0	0	0	110.6
28	L	27.8	Very low	29.4	Very low	155 Å²	155	149.6 Å²	149.6	81%	0.812	81%	0.808	S	S	*	*			trans	-131.1	102.5	170.2	-128	156.5	0	0	0	109.1
29	L	27.1	Very low	28.8	Very low	167 Å²	167	154.6 Å²	154.6	87%	0.874	82%	0.819	S	S	*	*			trans	-78.2	127.1	169	-85.4	152.5	0	0	0	108.7
30	T	30.8	Very low	28.8	Very low	115 Å²	115	153.4 Å²	153.4	71%	0.706	81%	0.812	S	S	*	*			trans	-122.8	108.6	168	-53.2	0	0	0	0	108.7
31	A	27.8	Very low	28.9	Very low	87 Å²	87	154.6 Å²	154.6	72%	0.719	81%	0.809	S	S	*	*			trans	-79.2	148	170.8	0	0	0	0	0	110.5
32	M	28	Very low	28.8	Very low	178 Å²	178	156.3 Å²	156.3	88%	0.877	81%	0.81	S	S	*	*			trans	-130.2	125.2	164.6	-87.1	-72.9	106.5	0	0	108.9
33	S	29.4	Very low	28.9	Very low	115 Å²	115	150.1 Å²	150.1	80%	0.804	80%	0.798	S	S	*	*			trans	-117.4	116.8	-172.6	43.3	0	0	0	0	111.5
34	G	26.7	Very low	28.8	Very low	71 Å²	71	149.1 Å²	149.1	73%	0.732	80%	0.796	S	S	*	*			trans	70.3	139.3	154.6	0	0	0	0	0	118.8
35	L	28.2	Very low	28.7	Very low	170 Å²	170	149.5 Å²	149.5	89%	0.89	80%	0.8	S	S	*	*				-147.6	141.9	117.8	-139.2	77	0	0	0	110.2
36	S	27.7	Very low	28.7	Very low	103 Å²	103	151 Å²	151	72%	0.72	80%	0.799	S	S	*	*			trans	-98.3	142.7	174.6	175.9	0	0	0	0	110.2
37	R	30.6	Very low	28.7	Very low	233 Å²	233	148 Å²	148	88%	0.879	80%	0.797	S	S	*	*			trans	-147.5	130.4	157.2	-106.3	169.4	-161.2	-137.9	0.6	110.9
38	R	28.8	Very low	28.8	Very low	215 Å²	215	148.3 Å²	148.3	81%	0.811	80%	0.798	S	S	*	*			trans	-80.8	153.9	171.2	-63.6	175.5	174.9	177.1	-2.8	110.3
39	F	29.5	Very low	28.8	Very low	208 Å²	208	146.2 Å²	146.2	91%	0.912	80%	0.797	S	S	*	*			trans	-135.5	153.9	143	-101	-83.2	0	0	0	108.8
40	T	31	Very low	29.4	Very low	103 Å²	103	143.9 Å²	143.9	63%	0.632	79%	0.792	S	S	*	*			trans	-145.1	143.9	-167	47.2	0	0	0	0	112.6
41	N	31.2	Very low	29.3	Very low	140 Å²	140	144.1 Å²	144.1	75%	0.749	80%	0.798	S	S	*	*			trans	66.7	113.2	155.6	-57.1	-1.9	0	0	0	119.2
42	N	27.9	Very low	29.3	Very low	149 Å²	149	149.6 Å²	149.6	80%	0.797	80%	0.8	S	S	*	*				172.5	157.4	111.4	-90.1	-10.1	0	0	0	110.7
43	V	31.6	Very low	29.5	Very low	104 Å²	104	152.3 Å²	152.3	63%	0.63	80%	0.8	S	S	*	*			cis	-167.9	157.7	-34.6	114.8	0	0	0	0	107.1
44	Q	28.4	Very low	29.5	Very low	186 Å²	186	154.4 Å²	154.4	87%	0.869	80%	0.797	S	S	*	*			trans	62.8	146.1	177.6	-73.4	150.2	-31.8	0	0	116.8
45	G	26.2	Very low	29.5	Very low	72 Å²	72	161.9 Å²	161.9	74%	0.742	80%	0.804	S	S	*	*			cis	126.5	108.7	-15	0	0	0	0	0	114.9
46	M	27.5	Very low	29.6	Very low	179 Å²	179	160.3 Å²	160.3	88%	0.882	80%	0.801	S	S	*	*			trans	-150.7	153.5	160.2	-113.4	178.7	74.3	0	0	111.1
47	L	29.3	Very low	29.6	Very low	154 Å²	154	160.3 Å²	160.3	81%	0.806	80%	0.801	S	S	*	*			trans	-97.3	155.5	-173.2	-56.3	110.1	0	0	0	112.4
48	F	28.4	Very low	29.7	Very low	210 Å²	210	154 Å²	154	92%	0.921	80%	0.799	S	S	*	*			trans	-148.6	156	132.9	-101.3	-70.5	0	0	0	110.7
49	S	29.5	Very low	29.7	Very low	112 Å²	112	150.5 Å²	150.5	78%	0.783	80%	0.795	S	S	*	*			trans	-106.6	167.7	-169.9	-117.8	0	0	0	0	113.1
50	P	38.8	Very low	29.6	Very low	118 Å²	118	152.4 Å²	152.4	77%	0.766	80%	0.796	S	S	*	*			trans	-88.5	158.3	-158.1	35	-37.1	0	0	0	114.6
51	S	29.1	Very low	29.5	Very low	119 Å²	119	154 Å²	154	83%	0.832	80%	0.8	S	S	*	*			trans	-106.6	125.7	162	63	0	0	0	0	110.8
52	R	27.7	Very low	29.4	Very low	202 Å²	202	151.9 Å²	151.9	76%	0.762	80%	0.802	S	S	*	*			trans	-79.1	141.3	170.1	-64.7	178	176.3	-161.9	0.1	109.5	H54	R52-H54 VanDerWaalsContact CD-NE2 3.29Å; R52-H54 WeakPolarHBondContact CD-NE2 3.29Å; R52-H54 PolarHBondContact NE-NE2 2.57Å; R52-H54 PolarHBondContact NH1-NE2 3.45Å
53	R	32.3	Very low	29.5	Very low	235 Å²	235	151 Å²	151	89%	0.887	80%	0.796	S	S	*	*			trans	-135.5	101.3	144.8	-70.3	-164.4	-179.6	-152.1	-0.9	109.6
54	H	28.5	Very low	29.5	Very low	160 Å²	160	152.6 Å²	152.6	74%	0.741	81%	0.806	S	S	*	*			trans	-70.3	140.3	164.5	-65.5	-78.3	0	0	0	108.7	R52	R52-H54 VanDerWaalsContact CD-NE2 3.29Å; R52-H54 WeakPolarHBondContact CD-NE2 3.29Å; R52-H54 PolarHBondContact NE-NE2 2.57Å; R52-H54 PolarHBondContact NH1-NE2 3.45Å
55	W	27.8	Very low	29.5	Very low	228 Å²	228	150.4 Å²	150.4	86%	0.864	80%	0.8	S	S	*	*			trans	-118.6	103.2	160.1	-95	77.6	0	0	0	108.7
56	T	29.2	Very low	29.8	Very low	136 Å²	136	157.1 Å²	157.1	83%	0.834	81%	0.809	S	S	*	*			trans	-89.4	102.5	173.3	47.9	0	0	0	0	109.2
57	S	28.9	Very low	29.9	Very low	104 Å²	104	152.1 Å²	152.1	73%	0.727	80%	0.803	S	S	*	*			trans	-107.2	125	170.2	-65.2	0	0	0	0	109.1
58	A	31.2	Very low	30.1	Very low	100 Å²	100	152.2 Å²	152.2	83%	0.826	80%	0.803	S	S	*	*			trans	-84.2	144.2	-165.1	0	0	0	0	0	114.5
59	I	29.9	Very low	30.7	Very low	141 Å²	141	148.1 Å²	148.1	72%	0.723	80%	0.798	S	S	*	*			trans	-14.3	130	157.6	-58.5	164.5	0	0	0	115.4	L61	I59-L61 HydrophobicContact CG2-CD1 3.79Å
60	R	27.2	Very low	30.7	Very low	248 Å²	248	150.2 Å²	150.2	94%	0.936	80%	0.799	S	S	*	*			trans	-132.2	100.1	136.6	-73.9	-164.2	175.3	-155.8	-2	110.1
61	L	28.4	Very low	30.5	Very low	136 Å²	136	151.2 Å²	151.2	71%	0.712	80%	0.804	S	S	*	*			trans	-69.6	134	157.3	-93.6	73.2	0	0	0	108.1	I59 I63	I59-L61 HydrophobicContact CG2-CD1 3.79Å; L61-I63 HydrophobicContact CD2-CD1 4.16Å; L61-I63 HydrophobicContact CD2-CG1 4.31Å
62	A	28.5	Very low	30.5	Very low	97 Å²	97	150 Å²	150	80%	0.802	80%	0.8	S	S	*	*			trans	-110.5	100.5	161.6	0	0	0	0	0	107.6
63	I	30.5	Very low	30.7	Very low	129 Å²	129	145.6 Å²	145.6	66%	0.662	80%	0.801	S	S	*	*			trans	-93.9	117.8	170.8	-61.5	173.2	0	0	0	107.3	L61 L65	L61-I63 HydrophobicContact CD2-CD1 4.16Å; L61-I63 HydrophobicContact CD2-CG1 4.31Å; I63-L65 HydrophobicContact CG2-CD1 4.33Å; I63-L65 HydrophobicContact CG2-CG 4.37Å
64	T	31.5	Very low	30.6	Very low	139 Å²	139	140.5 Å²	140.5	85%	0.853	80%	0.796	S	S	*	*			trans	-120.4	106.1	166.4	40.7	0	0	0	0	109.2
65	L	30	Very low	30.6	Very low	140 Å²	140	139 Å²	139	73%	0.733	80%	0.803	S	S	*	*			trans	-98.8	177.9	166.7	-83	163.9	0	0	0	109.6	I63	I63-L65 HydrophobicContact CG2-CD1 4.33Å; I63-L65 HydrophobicContact CG2-CG 4.37Å
66	F	32.2	Very low	30.6	Very low	213 Å²	213	131.9 Å²	131.9	93%	0.934	80%	0.801	S	S	*	*			trans	75.3	129.7	-171	-55	-81.1	0	0	0	114.2
67	G	28.6	Very low	30.6	Very low	73 Å²	73	129.8 Å²	129.8	75%	0.753	80%	0.797	S	S	*	*			cis	-166.5	161.3	-3.5	0	0	0	0	0	114.5
68	L	34.8	Very low	30.6	Very low	157 Å²	157	136.4 Å²	136.4	82%	0.822	81%	0.806	S	S	*	*			trans	-76.2	159.8	170	-72.8	163.1	0	0	0	110.8
69	P	39.2	Very low	31	Very low	123 Å²	123	137 Å²	137	80%	0.799	80%	0.802	S	S	*	*				-118.9	139.4	124.1	33.7	-31.8	0	0	0	112.2
70	L	30.3	Very low	30.9	Very low	156 Å²	156	134.6 Å²	134.6	82%	0.817	80%	0.803	S	S	*	*			trans	-90.9	132	165.6	-80.6	158.3	0	0	0	109.3
71	T	34.2	Very low	30.9	Very low	140 Å²	140	129.7 Å²	129.7	86%	0.859	80%	0.8	S	S	*	*			trans	-135.6	123	154.8	52.2	0	0	0	0	108.4
72	A	30.1	Very low	30.7	Very low	92 Å²	92	130.7 Å²	130.7	76%	0.76	81%	0.805	S	S	*	*			trans	-108.5	-179.5	179.6	0	0	0	0	0	111.2
73	S	30.7	Very low	30.6	Very low	110 Å²	110	132.5 Å²	132.5	77%	0.769	81%	0.811	S	S	*	*			trans	84	139	170.9	-50.5	0	0	0	0	116.4
74	T	30.1	Very low	30.3	Very low	128 Å²	128	130.4 Å²	130.4	79%	0.785	81%	0.808	S	S	*	*			cis	-164.6	150.9	-13	15.9	0	0	0	0	110.1
75	S	29.2	Very low	30.2	Very low	128 Å²	128	129.6 Å²	129.6	90%	0.895	81%	0.808	S	S	*	*			trans	51.2	128.4	145.7	-158	0	0	0	0	121.6
76	G	27.2	Very low	30	Very low	80 Å²	80	130.7 Å²	130.7	83%	0.825	81%	0.809	S	S	*	*			trans	177.3	111.8	163.2	0	0	0	0	0	111
77	A	29.2	Very low	29.7	Very low	91 Å²	91	129.1 Å²	129.1	75%	0.752	80%	0.804	S	S	*	*			trans	-128.5	119.7	-164.1	0	0	0	0	0	115.2
78	R	29.9	Very low	29.6	Very low	243 Å²	243	132.7 Å²	132.7	92%	0.917	81%	0.805	S	S	*	*			trans	61	174.6	147.3	-70	-172.5	176.1	-160.7	-0.4	117.3
79	P	39.8	Very low	29.1	Very low	114 Å²	114	135.2 Å²	135.2	74%	0.74	81%	0.805	S	S	*	*			cis	-124.7	166.7	-12.1	22.1	0.6	0	0	0	115.6
80	A	26.6	Very low	28.4	Very low	90 Å²	90	141 Å²	141	74%	0.744	81%	0.811	S	S	*	*			trans	41.9	138.2	140.8	0	0	0	0	0	123.3
81	V	27.7	Very low	28.2	Very low	144 Å²	144	139 Å²	139	87%	0.873	81%	0.805	S	S	*	*				-145.5	145.2	124.8	145	0	0	0	0	107.7
82	L	24.9	Very low	27.9	Very low	157 Å²	157	137.9 Å²	137.9	82%	0.822	80%	0.803	S	S	*	*			trans	-84.9	152.7	170.4	-74.8	76.9	0	0	0	110.2
83	C	25.4	Very low	27.8	Very low	135 Å²	135	141.6 Å²	141.6	91%	0.912	81%	0.805	S	S	*	*				-150.4	146.5	129.4	-140.2	0	0	0	0	111.7
84	S	24.5	Very low	27.6	Very low	85 Å²	85	145.4 Å²	145.4	59%	0.594	81%	0.81	S	S	*	*			trans	-106.2	155.3	176.2	179	0	0	0	0	110.1
85	S	29.7	Very low	27.5	Very low	122 Å²	122	146.9 Å²	146.9	85%	0.853	81%	0.811	S	S	*	*			trans	-152.6	102.1	161.4	-75.3	0	0	0	0	109.7
86	H	25.6	Very low	27.3	Very low	164 Å²	164	150 Å²	150	76%	0.759	81%	0.809	S	S	*	*			trans	-73.7	143.8	165.3	-70.4	-104.9	0	0	0	109.8
87	H	27.3	Very low	27.5	Very low	179 Å²	179	151.9 Å²	151.9	83%	0.829	81%	0.807	S	S	*	*			trans	179.4	143.9	142.3	-84.5	-43.3	0	0	0	108.3
88	L	26.2	Very low	27.3	Very low	149 Å²	149	155.5 Å²	155.5	78%	0.78	81%	0.811	S	S	*	*			cis	-157	147.4	-23.9	-132.9	176.8	0	0	0	106.9
89	Y	24.3	Very low	27.3	Very low	209 Å²	209	150.4 Å²	150.4	82%	0.82	81%	0.812	S	S	*	*			trans	-64.7	141.6	172.8	-101.1	-107.1	0	0	0	111.1	T91	Y89-T91 HydrophobicContact CD1-CG2 4.34Å
90	R	24.3	Very low	26.6	Very low	246 Å²	246	146.9 Å²	146.9	93%	0.928	80%	0.796	S	S	*	*			trans	-138.1	107.9	151.6	-162.5	173.3	-164.8	170	6.4	110.6
91	T	26	Very low	27	Very low	113 Å²	113	150.1 Å²	150.1	69%	0.693	80%	0.801	S	S	*	*			trans	-77.1	149.6	171	42.4	0	0	0	0	111	Y89	Y89-T91 HydrophobicContact CD1-CG2 4.34Å
92	S	26.6	Very low	27	Very low	117 Å²	117	152.6 Å²	152.6	82%	0.818	80%	0.796	S	S	*	*			trans	-156	95.2	158.2	-169.1	0	0	0	0	108.3
93	E	28.1	Very low	27.5	Very low	170 Å²	170	152.9 Å²	152.9	79%	0.794	79%	0.787	S	S	*	*			trans	-86.2	129	169.4	-66.5	-170.6	144.9	0	0	109.5
94	H	26.5	Very low	27.9	Very low	190 Å²	190	151.5 Å²	151.5	88%	0.88	78%	0.775	S	S	*	*			trans	-152.7	96.7	150.3	-99.9	-61.8	0	0	0	109.5
95	I	27.8	Very low	28.2	Very low	158 Å²	158	152.6 Å²	152.6	81%	0.81	78%	0.783	S	S	*	*			trans	-106	122.9	176.6	-62.9	173.6	0	0	0	109.4
96	K	26.6	Very low	28.6	Very low	194 Å²	194	152.3 Å²	152.3	84%	0.843	78%	0.781	S	S	*	*			trans	-163.6	156.3	136.5	-106.5	159.6	-173	178.6	0	110.4
97	P	29.9	Very low	29.2	Very low	120 Å²	120	148.8 Å²	148.8	78%	0.779	77%	0.767	S	S	*	*			trans	-91.7	150.2	-141.7	33.7	-38	0	0	0	114.6
98	I	26.5	Very low	29.6	Very low	166 Å²	166	143.1 Å²	143.1	85%	0.851	76%	0.756	S	S	*	*			trans	-125.4	122.6	157.2	-62.1	-179.7	0	0	0	106.6
99	C	29	Very low	30.1	Very low	136 Å²	136	141.3 Å²	141.3	92%	0.919	75%	0.752	S	S	*	*			trans	-81.8	128.9	168.8	-171.5	0	0	0	0	108.1
100	G	25.8	Very low	30.9	Very low	41 Å²	41	137.3 Å²	137.3	42%	0.423	74%	0.742	S	S	.	*			trans	-178.9	138.2	179.1	0	0	0	0	0	112.3	Y102	G100-Y102 WeakPolarHBondContact O-CD2 3.49Å; G100-Y102 PolarHBondContact O-N 3.1Å
101	D	35.4	Very low	31.6	Very low	158 Å²	158	130.8 Å²	130.8	85%	0.845	73%	0.732	S	S	*	*			trans	-75.2	119	-173.1	-51.9	-85.3	0	0	0	112.3
102	Y	27.4	Very low	32.6	Very low	196 Å²	196	127.2 Å²	127.2	77%	0.769	71%	0.711	S	S	*	*			trans	-134.7	60.3	178.7	-74.4	-74.3	0	0	0	113.1	G100 T104	G100-Y102 WeakPolarHBondContact O-CD2 3.49Å; G100-Y102 PolarHBondContact O-N 3.1Å; Y102-T104 PolarHBondContact O-N 2.85Å
103	Y	33.9	Very low	33.6	Very low	162 Å²	162	126 Å²	126	64%	0.635	70%	0.7	S	S	*	*			trans	-75.4	65.5	158.4	-80.4	-73.3	0	0	0	110.6
104	T	34.5	Very low	35.1	Very low	106 Å²	106	123.5 Å²	123.5	65%	0.65	71%	0.709	S	S	*	*			trans	-134.6	61.5	-179.8	57.8	0	0	0	0	112.2	Y102	Y102-T104 PolarHBondContact O-N 2.85Å
105	S	31.5	Very low	37.4	Very low	109 Å²	109	117 Å²	117	76%	0.762	69%	0.694	S	S	*	*			trans	-80.6	111.4	149.1	-174.4	0	0	0	0	107.3	I107	S105-I107 PolarHBondContact O-N 2.92Å
106	S	36.5	Very low	40.4	Very low	116 Å²	116	111.8 Å²	111.8	81%	0.811	67%	0.67	S	S	*	*			trans	-84	75.5	-168.6	60.1	0	0	0	0	112.7	G108	S106-G108 PolarHBondContact O-N 3.21Å
107	I	39.4	Very low	43.6	Very low	90 Å²	90	103.1 Å²	103.1	46%	0.462	63%	0.632	S	S	.	*			trans	-80.2	109.4	154.9	-64.6	-174.8	0	0	0	107.1	S105 F315	S105-I107 PolarHBondContact O-N 2.92Å; I107-F315 HydrophobicContact CD1-CE2 3.54Å; I107-F315 HydrophobicContact CD1-CZ 3.73Å
108	G	34.7	Very low	46.7	Very low	59 Å²	59	101.7 Å²	101.7	61%	0.608	62%	0.621	S	S	*	*			trans	-62.5	148.9	171.9	0	0	0	0	0	110.9	S106 M110	S106-G108 PolarHBondContact O-N 3.21Å; G108-M110 PolarHBondContact O-N 3.36Å
109	T	38.3	Very low	49.9	Very low	111 Å²	111	97.8 Å²	97.8	68%	0.681	60%	0.598	S	S	*	*			trans	-54.5	97.6	-176.1	-48.2	0	0	0	0	111.5
110	M	39.6	Very low	53.1	Low	126 Å²	126	91.3 Å²	91.3	62%	0.621	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-64.9	125.4	174.5	-73.4	-69	-70.2	0	0	108.1	G108 S112	G108-M110 PolarHBondContact O-N 3.36Å; M110-S112 PolarHBondContact O-N 2.8Å
111	P	40.5	Very low	56.5	Low	109 Å²	109	91 Å²	91	71%	0.708	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-62.7	126.3	177.6	25	-32.5	0	0	0	109.6
112	S	46.2	Very low	59.4	Low	37 Å²	37	86 Å²	86	26%	0.259	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-54.7	152.1	171	-153.3	0	0	0	0	110.3	M110 A114	M110-S112 PolarHBondContact O-N 2.8Å; S112-A114 PolarHBondContact O-N 2.6Å
113	P	47.6	Very low	62.6	Low	91 Å²	91	81.2 Å²	81.2	59%	0.591	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-48.7	138.8	-168.7	-30.9	36.7	0	0	0	114.3	G115	P113-G115 PolarHBondContact O-N 2.98Å
114	A	60.5	Low	65.6	Low	118 Å²	118	79.5 Å²	79.5	98%	0.975	51%	0.508	S	S	*	.	S	Bend	trans	-74.8	33.7	-161.2	0	0	0	0	0	116.3	S112	S112-A114 PolarHBondContact O-N 2.6Å
115	G	74.3	Confident	68.6	Low	55 Å²	55	74.5 Å²	74.5	57%	0.567	48%	0.477	S	S	*	.	S	Bend	trans	-113.7	166.1	173.9	0	0	0	0	0	112.6	P113	P113-G115 PolarHBondContact O-N 2.98Å
116	P	90.4	Very high	71.5	Confident	47 Å²	47	71 Å²	71	31%	0.305	45%	0.451	S	S	.	.			trans	-66	148.5	171.4	28.2	-33.6	0	0	0	111.2	V118 D137 V140	P116-V118 WeakPolarHBondContact O-CG2 3.37Å; P116-D137 HydrophobicContact CG-CB 3.99Å; P116-V140 HydrophobicContact CB-CB 3.97Å; P116-V140 HydrophobicContact CB-CG1 3.86Å; P116-V140 HydrophobicContact CB-CG2 3.83Å
117	H	94.3	Very high	74.1	Confident	12 Å²	12	72.4 Å²	72.4	6%	0.056	45%	0.445	C	S	.	.			trans	-54.7	138.8	173	60.2	177.8	0	0	0	111.9	S120 R121 R204 G205 R206 Y321 D323	H117-S120 WeakPolarHBondContact ND1-CB 3.48Å; H117-S120 PolarHBondContact ND1-OG 2.98Å; H117-R121 VanDerWaalsContact O-CZ 3.24Å; H117-R121 PolarHBondContact O-NE 3.45Å; H117-R121 PolarHBondContact O-NH2 3.32Å; H117-R204 HydrophobicContact CB-CB 4.45Å; H117-G205 PolarHBondContact CE1-O 3.07Å; H117-R206 PolarHBondContact NE2-O 3.38Å; H117-Y321 HydrophobicContact CB-CE1 4.44Å; H117-Y321 AromaticContact ND1-CZ 3.89Å; H117-Y321 PolarHBondContact ND1-OH 3.45Å; H117-D323 HydrophobicContact CB-CB 4.44Å; H117-D323 WeakPolarHBondContact CB-OD1 3.38Å
118	V	94.6	Very high	76.7	Confident	90 Å²	90	69.3 Å²	69.3	55%	0.545	43%	0.432	S	S	.	.	S	Bend	trans	-115.1	-48.7	-171.5	-177.4	0	0	0	0	111.2	P116 S120 R121 C122 D323	P116-V118 WeakPolarHBondContact O-CG2 3.37Å; V118-S120 VanDerWaalsContact C-N 3.28Å; V118-S120 PolarHBondContact O-N 2.74Å; V118-R121 CarbonylContact O-C 3.52Å; V118-R121 WeakPolarHBondContact O-CA 3.22Å; V118-R121 PolarHBondContact O-N 3.39Å; V118-C122 PolarHBondContact O-N 2.58Å; V118-D323 PolarHBondContact N-OD1 2.89Å; V118-D323 PolarHBondContact N-OD2 2.61Å
119	K	93.7	Very high	79.7	Confident	84 Å²	84	72.6 Å²	72.6	37%	0.365	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-64.9	-36.9	-179.8	-70.3	164.4	176.2	162.1	0	111.1	R121 C122 D323 P325 A375	K119-R121 PolarHBondContact O-N 2.56Å; K119-C122 WeakPolarHBondContact O-CB 3.48Å; K119-C122 PolarHBondContact O-N 2.83Å; K119-D323 WeakPolarHBondContact CB-O 3.03Å; K119-D323 WeakPolarHBondContact CD-O 3.5Å; K119-D323 PolarHBondContact N-OD1 3.05Å; K119-D323 VanDerWaalsContact N-OD1 3.16Å; K119-D323 PolarHBondContact N-OD2 3.37Å; K119-P325 WeakPolarHBondContact O-CA 3.35Å; K119-A375 PolarHBondContact NZ-O 2.81Å
120	S	96.8	Very high	82.5	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-56.8	-15.4	170	-55.1	0	0	0	0	114.1	H117 V118 R132 T207 D323 N327	H117-S120 WeakPolarHBondContact ND1-CB 3.48Å; H117-S120 PolarHBondContact ND1-OG 2.98Å; V118-S120 VanDerWaalsContact C-N 3.28Å; V118-S120 PolarHBondContact O-N 2.74Å; S120-R132 PolarHBondContact O-NE 2.94Å; S120-R132 PolarHBondContact O-NH1 2.85Å; S120-R132 PolarHBondContact O-NH2 3.46Å; S120-T207 WeakPolarHBondContact O-CB 3.25Å; S120-D323 VanDerWaalsContact CB-OD1 3.31Å; S120-D323 WeakPolarHBondContact CB-OD1 3.32Å; S120-D323 PolarHBondContact N-OD1 1.79Å; S120-D323 PolarHBondContact OG-OD1 2.93Å; S120-N327 PolarHBondContact OG-ND2 2.83Å
121	R	97.4	Very high	85.3	Confident	36 Å²	36	67.9 Å²	67.9	14%	0.136	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-115.9	7.4	178.1	-69	-176.7	-67.3	141.2	-0.9	113.8	H117 V118 K119 V135 D137	H117-R121 VanDerWaalsContact O-CZ 3.24Å; H117-R121 PolarHBondContact O-NE 3.45Å; H117-R121 PolarHBondContact O-NH2 3.32Å; V118-R121 CarbonylContact O-C 3.52Å; V118-R121 WeakPolarHBondContact O-CA 3.22Å; V118-R121 PolarHBondContact O-N 3.39Å; K119-R121 PolarHBondContact O-N 2.56Å; R121-V135 PolarHBondContact NH1-O 2.82Å; R121-D137 IonicContact CZ-OD1 3.68Å; R121-D137 IonicContact NH1-OD1 2.74Å; R121-D137 PolarHBondContact NH1-OD1 2.84Å; R121-D137 IonicContact NH2-OD1 2.76Å; R121-D137 PolarHBondContact NH2-OD1 3.3Å
122	C	95.1	Very high	88	Confident	53 Å²	53	63.1 Å²	63.1	36%	0.358	38%	0.384	S	S	.	.			trans	-52.8	126.8	176.3	-81.3	0	0	0	0	111	V118 K119 Q124 R132	V118-C122 PolarHBondContact O-N 2.58Å; K119-C122 WeakPolarHBondContact O-CB 3.48Å; K119-C122 PolarHBondContact O-N 2.83Å; C122-Q124 VanDerWaalsContact C-N 3.33Å; C122-Q124 PolarHBondContact O-N 2.8Å; C122-Q124 VanDerWaalsContact O-N 3.11Å; C122-R132 WeakPolarHBondContact O-CD 3.28Å; C122-R132 PolarHBondContact O-NE 3.49Å; C122-R132 VanDerWaalsContact O-NE 3.15Å
123	P	95.5	Very high	90.5	Very high	95 Å²	95	64.3 Å²	64.3	62%	0.617	39%	0.385	S	S	*	.	S	Bend	trans	-55.6	-38.6	-162.9	-31.5	35.7	0	0	0	115.9	T131 R132	P123-T131 CarbonylContact O-C 3.54Å; P123-T131 VanDerWaalsContact O-CA 3.25Å; P123-T131 WeakPolarHBondContact O-CA 3.42Å; P123-R132 PolarHBondContact O-N 3.35Å
124	Q	96.8	Very high	92.9	Very high	126 Å²	126	65.7 Å²	65.7	59%	0.589	39%	0.392	S	S	*	.	B	Isolated β-bridge	trans	-95.2	127.8	176.8	-174.8	175.6	-5.5	0	0	110.3	C122 S128	C122-Q124 VanDerWaalsContact C-N 3.33Å; C122-Q124 PolarHBondContact O-N 2.8Å; C122-Q124 VanDerWaalsContact O-N 3.11Å; Q124-S128 PolarHBondContact NE2-O 2.79Å
125	Y	96.8	Very high	94.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-73.8	134.3	175.9	-169.2	-89.4	0	0	0	110.9	S128 I130 H154 L209 G213 L214 R326 T328	Y125-S128 PolarHBondContact O-N 3.31Å; Y125-S128 PolarHBondContact O-OG 2.84Å; Y125-I130 PolarHBondContact N-O 2.87Å; Y125-H154 AromaticContact CD1-CD2 3.84Å; Y125-L209 HydrophobicContact CD2-CD1 3.69Å; Y125-L209 HydrophobicContact CD2-CD2 4.33Å; Y125-L209 HydrophobicContact CE2-CD2 4.38Å; Y125-L209 HydrophobicContact CG-CD1 3.97Å; Y125-G213 WeakPolarHBondContact OH-CA 3.21Å; Y125-L214 HydrophobicContact CE1-CB 4.3Å; Y125-L214 HydrophobicContact CE1-CD1 4.04Å; Y125-L214 HydrophobicContact CE1-CG 3.98Å; Y125-L214 PolarHBondContact OH-N 3.1Å; Y125-R326 VanDerWaalsContact CE2-O 3.3Å; Y125-R326 WeakPolarHBondContact CE2-O 3.37Å; Y125-R326 WeakPolarHBondContact OH-CA 3.38Å; Y125-R326 PolarHBondContact OH-O 3.24Å; Y125-T328 HydrophobicContact CE2-CG2 4.1Å
126	P	93.2	Very high	95.8	Very high	35 Å²	35	60.6 Å²	60.6	23%	0.227	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	145.2	-174.3	-30	35.9	0	0	0	114.9	S128 L214 P325 R326	P126-S128 PolarHBondContact O-N 2.89Å; P126-S128 VanDerWaalsContact O-N 3.1Å; P126-L214 HydrophobicContact CB-CD1 4.06Å; P126-P325 WeakPolarHBondContact CD-O 3.49Å; P126-P325 HydrophobicContact CG-CB 3.8Å; P126-P325 HydrophobicContact CG-CG 4.13Å; P126-P325 WeakPolarHBondContact CG-O 3.43Å; P126-R326 HydrophobicContact CG-CG 4.44Å
127	Q	91.8	Very high	96.1	Very high	146 Å²	146	63.3 Å²	63.3	68%	0.682	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	25.2	179.7	-49.4	-177.5	7.6	0	0	114.5	L214	Q127-L214 HydrophobicContact CB-CD1 4.21Å; Q127-L214 HydrophobicContact CG-CD1 4.19Å
128	S	93.8	Very high	96.2	Very high	25 Å²	25	67.5 Å²	67.5	18%	0.175	37%	0.373	C	S	.	.	S	Bend	trans	-144.2	169.8	-176.9	85.1	0	0	0	0	112.6	Q124 Y125 P126 I130	Q124-S128 PolarHBondContact NE2-O 2.79Å; Y125-S128 PolarHBondContact O-N 3.31Å; Y125-S128 PolarHBondContact O-OG 2.84Å; P126-S128 PolarHBondContact O-N 2.89Å; P126-S128 VanDerWaalsContact O-N 3.1Å; S128-I130 WeakPolarHBondContact OG-CB 2.8Å; S128-I130 PolarHBondContact OG-N 3.48Å; S128-I130 VanDerWaalsContact OG-N 3.07Å
129	T	95.9	Very high	96.3	Very high	129 Å²	129	65.5 Å²	65.5	79%	0.791	36%	0.357	S	S	*	.	S	Bend	trans	-96.1	11.8	167.2	52.9	0	0	0	0	112.8	T131	T129-T131 PolarHBondContact O-N 2.91Å
130	I	97.9	Very high	96.5	Very high	46 Å²	46	61.8 Å²	61.8	24%	0.236	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-79.5	120.3	-176.4	-57.6	-63.8	0	0	0	109.9	Y125 S128 V152 H154 L209	Y125-I130 PolarHBondContact N-O 2.87Å; S128-I130 WeakPolarHBondContact OG-CB 2.8Å; S128-I130 PolarHBondContact OG-N 3.48Å; S128-I130 VanDerWaalsContact OG-N 3.07Å; I130-V152 HydrophobicContact CG2-CG1 3.92Å; I130-H154 HydrophobicContact CG2-CB 4.22Å; I130-L209 HydrophobicContact CG2-CD1 3.93Å
131	T	98.2	Very high	96.5	Very high	91 Å²	91	65.8 Å²	65.8	56%	0.558	36%	0.363	S	S	*	.	B	Isolated β-bridge	trans	-87.4	133.4	168.9	-47.8	0	0	0	0	109.8	P123 T129 V152	P123-T131 CarbonylContact O-C 3.54Å; P123-T131 VanDerWaalsContact O-CA 3.25Å; P123-T131 WeakPolarHBondContact O-CA 3.42Å; T129-T131 PolarHBondContact O-N 2.91Å; T131-V152 WeakPolarHBondContact O-CG2 3.46Å
132	R	98.6	Very high	96.5	Very high	10 Å²	10	66.3 Å²	66.3	4%	0.038	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-70	154.9	172.3	-60.3	178.3	176.9	-92.8	3	110.8	S120 C122 P123 T134 T207 L209 P325 N327	S120-R132 PolarHBondContact O-NE 2.94Å; S120-R132 PolarHBondContact O-NH1 2.85Å; S120-R132 PolarHBondContact O-NH2 3.46Å; C122-R132 WeakPolarHBondContact O-CD 3.28Å; C122-R132 PolarHBondContact O-NE 3.49Å; C122-R132 VanDerWaalsContact O-NE 3.15Å; P123-R132 PolarHBondContact O-N 3.35Å; R132-T134 PolarHBondContact O-N 3.03Å; R132-T207 WeakPolarHBondContact CD-O 3.48Å; R132-T207 PolarHBondContact NH1-O 2.69Å; R132-T207 VanDerWaalsContact NH1-O 3.16Å; R132-T207 PolarHBondContact NH1-OG1 2.78Å; R132-L209 HydrophobicContact CG-CB 4.27Å; R132-L209 HydrophobicContact CG-CD1 4.2Å; R132-P325 PolarHBondContact NH2-O 3.44Å; R132-N327 PolarHBondContact NH1-O 3.07Å; R132-N327 PolarHBondContact NH2-O 2.63Å
133	F	98.5	Very high	96.5	Very high	62 Å²	62	69 Å²	69	27%	0.272	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-66.2	130.8	163.5	-172.8	-87.8	0	0	0	109.4	V135 W146 E148 Y149 S150 G208	F133-V135 PolarHBondContact O-N 2.87Å; F133-W146 HydrophobicContact CD1-CH2 4.16Å; F133-W146 AromaticContact CE1-CH2 3.58Å; F133-W146 HydrophobicContact CE1-CH2 3.58Å; F133-W146 AromaticContact CE1-CZ2 3.7Å; F133-W146 HydrophobicContact CE1-CZ2 3.7Å; F133-W146 HydrophobicContact CE1-CZ3 4.34Å; F133-W146 HydrophobicContact CZ-CZ2 4.44Å; F133-E148 WeakPolarHBondContact CZ-O 3.34Å; F133-Y149 AromaticContact CD1-CD2 3.84Å; F133-Y149 HydrophobicContact CD1-CD2 3.84Å; F133-Y149 AromaticContact CD1-CE2 3.99Å; F133-Y149 HydrophobicContact CD1-CE2 3.99Å; F133-Y149 AromaticContact CE1-CD2 3.93Å; F133-Y149 HydrophobicContact CE1-CD2 3.93Å; F133-S150 WeakPolarHBondContact CD2-O 3.44Å; F133-S150 WeakPolarHBondContact CG-O 3.47Å; F133-G208 WeakPolarHBondContact CB-O 3.47Å; F133-G208 PolarHBondContact N-O 3.37Å; F133-G208 VanDerWaalsContact O-CA 3.3Å; F133-G208 WeakPolarHBondContact O-CA 3.16Å
134	T	98	Very high	96.6	Very high	120 Å²	120	68.3 Å²	68.3	74%	0.736	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-66.4	120.2	-177.4	-55.9	0	0	0	0	110.9	R132 P136	R132-T134 PolarHBondContact O-N 3.03Å; T134-P136 WeakPolarHBondContact O-CD 3.43Å
135	V	98.3	Very high	96.5	Very high	9 Å²	9	71 Å²	71	6%	0.055	37%	0.374	C	S	.	.			trans	-109.3	107.4	176.4	178.4	0	0	0	0	110.2	R121 F133 K139 V140 W146 Y149 R206	R121-V135 PolarHBondContact NH1-O 2.82Å; F133-V135 PolarHBondContact O-N 2.87Å; V135-K139 HydrophobicContact CG1-CB 4.42Å; V135-V140 HydrophobicContact CG1-CG2 3.74Å; V135-W146 HydrophobicContact CB-CZ3 4.38Å; V135-W146 HydrophobicContact CG1-CZ3 4.08Å; V135-W146 HydrophobicContact CG2-CH2 4.34Å; V135-W146 HydrophobicContact CG2-CZ3 4.06Å; V135-Y149 HydrophobicContact CG2-CE2 3.69Å; V135-R206 HydrophobicContact CG1-CB 3.97Å; V135-R206 HydrophobicContact CG2-CB 4.13Å
136	P	96.8	Very high	96.6	Very high	57 Å²	57	73 Å²	73	37%	0.37	38%	0.382	S	S	.	.			trans	-62.7	152.8	169	-22.4	34.8	0	0	0	112.3	T134 D138 K139 V140	T134-P136 WeakPolarHBondContact O-CD 3.43Å; P136-D138 VanDerWaalsContact C-N 3.3Å; P136-D138 WeakPolarHBondContact CB-OD1 3.08Å; P136-D138 PolarHBondContact O-N 3.2Å; P136-K139 HydrophobicContact CB-CG 4.31Å; P136-K139 HydrophobicContact CG-CG 4.37Å; P136-K139 WeakPolarHBondContact O-CA 3.48Å; P136-K139 PolarHBondContact O-N 3.45Å; P136-V140 PolarHBondContact O-N 3.15Å
137	D	96.4	Very high	96.8	Very high	103 Å²	103	76.8 Å²	76.8	55%	0.551	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-57.2	-38.8	-176.2	-74	0.3	0	0	0	113.3	P116 R121 K139 V140	P116-D137 HydrophobicContact CG-CB 3.99Å; R121-D137 IonicContact CZ-OD1 3.68Å; R121-D137 IonicContact NH1-OD1 2.74Å; R121-D137 PolarHBondContact NH1-OD1 2.84Å; R121-D137 IonicContact NH2-OD1 2.76Å; R121-D137 PolarHBondContact NH2-OD1 3.3Å; D137-K139 PolarHBondContact O-N 2.97Å; D137-V140 PolarHBondContact O-N 2.83Å
138	D	95.9	Very high	97.1	Very high	101 Å²	101	76 Å²	76	54%	0.54	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-71.5	-8.7	177.7	78.1	-58.6	0	0	0	113.7	P136	P136-D138 VanDerWaalsContact C-N 3.3Å; P136-D138 WeakPolarHBondContact CB-OD1 3.08Å; P136-D138 PolarHBondContact O-N 3.2Å
139	K	97.8	Very high	97.3	Very high	48 Å²	48	76.5 Å²	76.5	21%	0.209	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-108.2	3.8	177.5	-55	-52.4	-177.3	-137.4	0	113.7	V135 P136 D137 Q144 W146 R206	V135-K139 HydrophobicContact CG1-CB 4.42Å; P136-K139 HydrophobicContact CB-CG 4.31Å; P136-K139 HydrophobicContact CG-CG 4.37Å; P136-K139 WeakPolarHBondContact O-CA 3.48Å; P136-K139 PolarHBondContact O-N 3.45Å; D137-K139 PolarHBondContact O-N 2.97Å; K139-Q144 HydrophobicContact CD-CG 3.89Å; K139-W146 HydrophobicContact CB-CD2 3.98Å; K139-W146 HydrophobicContact CB-CE3 3.53Å; K139-W146 HydrophobicContact CB-CH2 3.96Å; K139-W146 HydrophobicContact CB-CZ2 4.39Å; K139-W146 HydrophobicContact CB-CZ3 3.51Å; K139-W146 HydrophobicContact CD-CD2 4.3Å; K139-W146 HydrophobicContact CD-CG 4.36Å; K139-W146 HydrophobicContact CG-CD2 4.02Å; K139-W146 HydrophobicContact CG-CE3 4.09Å; K139-W146 HydrophobicContact CG-CH2 4.24Å; K139-W146 HydrophobicContact CG-CZ2 4.19Å; K139-W146 HydrophobicContact CG-CZ3 4.19Å; K139-R206 WeakPolarHBondContact O-CD 3.48Å; K139-R206 PolarHBondContact O-NH1 3.31Å
140	V	98.1	Very high	97.4	Very high	6 Å²	6	74.4 Å²	74.4	4%	0.036	39%	0.391	C	S	.	.			trans	-68.4	-43.9	-178.5	173.6	0	0	0	0	112.1	P116 V135 P136 D137 W142 R204 G205 R206	P116-V140 HydrophobicContact CB-CB 3.97Å; P116-V140 HydrophobicContact CB-CG1 3.86Å; P116-V140 HydrophobicContact CB-CG2 3.83Å; V135-V140 HydrophobicContact CG1-CG2 3.74Å; P136-V140 PolarHBondContact O-N 3.15Å; D137-V140 PolarHBondContact O-N 2.83Å; V140-W142 PolarHBondContact O-N 2.99Å; V140-R204 WeakPolarHBondContact CG1-O 3.37Å; V140-G205 CarbonylContact O-C 3.51Å; V140-G205 WeakPolarHBondContact O-CA 3.4Å; V140-R206 PolarHBondContact O-N 3.47Å
141	D	96.9	Very high	97.4	Very high	83 Å²	83	73.6 Å²	73.6	44%	0.444	39%	0.389	S	S	.	.	S	Bend	trans	-66.2	124.8	180	-177.9	7.2	0	0	0	112	N143 Q144 R206	D141-N143 VanDerWaalsContact CG-ND2 3.29Å; D141-N143 PolarHBondContact O-N 3.21Å; D141-N143 VanDerWaalsContact O-N 3.13Å; D141-N143 PolarHBondContact OD1-N 2.71Å; D141-N143 PolarHBondContact OD1-ND2 3.19Å; D141-N143 WeakPolarHBondContact OD2-CB 3.08Å; D141-N143 PolarHBondContact OD2-ND2 2.92Å; D141-Q144 WeakPolarHBondContact O-CB 3.45Å; D141-Q144 PolarHBondContact O-N 3.22Å; D141-R206 PolarHBondContact O-NH1 2.92Å
142	W	97	Very high	97.4	Very high	48 Å²	48	72 Å²	72	18%	0.182	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-31.7	171.4	-66	112.3	0	0	0	114	V140 Q144 Y149 L201 N202 R206 D329	V140-W142 PolarHBondContact O-N 2.99Å; W142-Q144 VanDerWaalsContact C-N 3.26Å; W142-Q144 PolarHBondContact O-N 2.97Å; W142-Y149 HydrophobicContact CH2-CE1 4.23Å; W142-Y149 HydrophobicContact CZ3-CE1 4.11Å; W142-L201 HydrophobicContact CD2-CD1 4.41Å; W142-L201 HydrophobicContact CH2-CD2 4.05Å; W142-L201 HydrophobicContact CZ2-CB 4.44Å; W142-L201 HydrophobicContact CZ2-CD2 4.16Å; W142-L201 HydrophobicContact CZ3-CD2 4.29Å; W142-N202 PolarHBondContact NE1-O 2.68Å; W142-R206 HydrophobicContact CD2-CG 4.12Å; W142-R206 HydrophobicContact CE3-CG 3.76Å; W142-R206 HydrophobicContact CH2-CG 3.73Å; W142-R206 HydrophobicContact CZ2-CG 4.08Å; W142-R206 HydrophobicContact CZ3-CG 3.57Å; W142-R206 PolarHBondContact O-NH2 3.47Å; W142-D329 HydrophobicContact CH2-CB 3.92Å; W142-D329 HydrophobicContact CZ2-CB 4.11Å
143	N	95.5	Very high	97.4	Very high	108 Å²	108	76.3 Å²	76.3	58%	0.578	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-23.4	179	-48.9	-50.9	0	0	0	112.6	D141 K145 K194	D141-N143 VanDerWaalsContact CG-ND2 3.29Å; D141-N143 PolarHBondContact O-N 3.21Å; D141-N143 VanDerWaalsContact O-N 3.13Å; D141-N143 PolarHBondContact OD1-N 2.71Å; D141-N143 PolarHBondContact OD1-ND2 3.19Å; D141-N143 WeakPolarHBondContact OD2-CB 3.08Å; D141-N143 PolarHBondContact OD2-ND2 2.92Å; N143-K145 PolarHBondContact O-N 3.05Å; N143-K194 PolarHBondContact OD1-NZ 3.27Å
144	Q	96.4	Very high	97.3	Very high	82 Å²	82	74.7 Å²	74.7	38%	0.383	40%	0.396	S	S	.	.	S	Bend	trans	-68.4	120.7	169.3	175.3	55.1	47	0	0	109.3	K139 D141 W142 W146 R206	K139-Q144 HydrophobicContact CD-CG 3.89Å; D141-Q144 WeakPolarHBondContact O-CB 3.45Å; D141-Q144 PolarHBondContact O-N 3.22Å; W142-Q144 VanDerWaalsContact C-N 3.26Å; W142-Q144 PolarHBondContact O-N 2.97Å; Q144-W146 PolarHBondContact O-N 2.83Å; Q144-R206 PolarHBondContact O-NH1 3.21Å; Q144-R206 PolarHBondContact O-NH2 3.06Å
145	K	95.9	Very high	97.4	Very high	182 Å²	182	69.7 Å²	69.7	79%	0.791	37%	0.366	S	S	*	.			trans	-65.5	130	173.2	-68.5	-177.7	178.6	179.8	0	110.1	N143	N143-K145 PolarHBondContact O-N 3.05Å
146	W	97.7	Very high	97.3	Very high	42 Å²	42	69.6 Å²	69.6	16%	0.159	37%	0.365	C	S	.	.			trans	-152.4	80	177.3	-167.3	22.4	0	0	0	110.3	F133 V135 K139 Q144 E148 Y149	F133-W146 HydrophobicContact CD1-CH2 4.16Å; F133-W146 AromaticContact CE1-CH2 3.58Å; F133-W146 HydrophobicContact CE1-CH2 3.58Å; F133-W146 AromaticContact CE1-CZ2 3.7Å; F133-W146 HydrophobicContact CE1-CZ2 3.7Å; F133-W146 HydrophobicContact CE1-CZ3 4.34Å; F133-W146 HydrophobicContact CZ-CZ2 4.44Å; V135-W146 HydrophobicContact CB-CZ3 4.38Å; V135-W146 HydrophobicContact CG1-CZ3 4.08Å; V135-W146 HydrophobicContact CG2-CH2 4.34Å; V135-W146 HydrophobicContact CG2-CZ3 4.06Å; K139-W146 HydrophobicContact CB-CD2 3.98Å; K139-W146 HydrophobicContact CB-CE3 3.53Å; K139-W146 HydrophobicContact CB-CH2 3.96Å; K139-W146 HydrophobicContact CB-CZ2 4.39Å; K139-W146 HydrophobicContact CB-CZ3 3.51Å; K139-W146 HydrophobicContact CD-CD2 4.3Å; K139-W146 HydrophobicContact CD-CG 4.36Å; K139-W146 HydrophobicContact CG-CD2 4.02Å; K139-W146 HydrophobicContact CG-CE3 4.09Å; K139-W146 HydrophobicContact CG-CH2 4.24Å; K139-W146 HydrophobicContact CG-CZ2 4.19Å; K139-W146 HydrophobicContact CG-CZ3 4.19Å; Q144-W146 PolarHBondContact O-N 2.83Å; W146-E148 PolarHBondContact O-N 3.4Å; W146-Y149 HydrophobicContact CD2-CD2 4.37Å; W146-Y149 HydrophobicContact CD2-CG 4.47Å; W146-Y149 AromaticContact CE3-CD2 3.55Å; W146-Y149 HydrophobicContact CE3-CD2 3.55Å; W146-Y149 HydrophobicContact CE3-CE2 4.42Å; W146-Y149 AromaticContact CE3-CG 3.84Å; W146-Y149 HydrophobicContact CE3-CG 3.84Å; W146-Y149 HydrophobicContact CH2-CD2 4.01Å; W146-Y149 AromaticContact CZ3-CD2 3.33Å; W146-Y149 HydrophobicContact CZ3-CD2 3.33Å; W146-Y149 AromaticContact CZ3-CE2 3.92Å; W146-Y149 HydrophobicContact CZ3-CE2 3.92Å; W146-Y149 HydrophobicContact CZ3-CG 4.12Å; W146-Y149 VanDerWaalsContact O-CB 3.31Å; W146-Y149 WeakPolarHBondContact O-CB 3.49Å; W146-Y149 PolarHBondContact O-N 3.28Å
147	P	96.9	Very high	97.4	Very high	114 Å²	114	71.2 Å²	71.2	74%	0.74	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.4	-178.9	-24.6	35.4	0	0	0	114.3	Y149	P147-Y149 VanDerWaalsContact C-N 3.26Å; P147-Y149 PolarHBondContact O-N 2.96Å
148	E	97.9	Very high	97.3	Very high	129 Å²	129	69.5 Å²	69.5	60%	0.603	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-1.3	-178.8	-52.6	73.2	-159	0	0	113	F133 W146 S150	F133-E148 WeakPolarHBondContact CZ-O 3.34Å; W146-E148 PolarHBondContact O-N 3.4Å; E148-S150 PolarHBondContact O-N 3.3Å; E148-S150 VanDerWaalsContact O-N 3.13Å
149	Y	98.4	Very high	97.4	Very high	36 Å²	36	64.7 Å²	64.7	14%	0.141	34%	0.343	C	S	.	.			trans	-67.6	108.1	179.2	-176.6	-124.5	0	0	0	111.3	F133 V135 W142 W146 P147 P151 R206 G208 D329	F133-Y149 AromaticContact CD1-CD2 3.84Å; F133-Y149 HydrophobicContact CD1-CD2 3.84Å; F133-Y149 AromaticContact CD1-CE2 3.99Å; F133-Y149 HydrophobicContact CD1-CE2 3.99Å; F133-Y149 AromaticContact CE1-CD2 3.93Å; F133-Y149 HydrophobicContact CE1-CD2 3.93Å; V135-Y149 HydrophobicContact CG2-CE2 3.69Å; W142-Y149 HydrophobicContact CH2-CE1 4.23Å; W142-Y149 HydrophobicContact CZ3-CE1 4.11Å; W146-Y149 HydrophobicContact CD2-CD2 4.37Å; W146-Y149 HydrophobicContact CD2-CG 4.47Å; W146-Y149 AromaticContact CE3-CD2 3.55Å; W146-Y149 HydrophobicContact CE3-CD2 3.55Å; W146-Y149 HydrophobicContact CE3-CE2 4.42Å; W146-Y149 AromaticContact CE3-CG 3.84Å; W146-Y149 HydrophobicContact CE3-CG 3.84Å; W146-Y149 HydrophobicContact CH2-CD2 4.01Å; W146-Y149 AromaticContact CZ3-CD2 3.33Å; W146-Y149 HydrophobicContact CZ3-CD2 3.33Å; W146-Y149 AromaticContact CZ3-CE2 3.92Å; W146-Y149 HydrophobicContact CZ3-CE2 3.92Å; W146-Y149 HydrophobicContact CZ3-CG 4.12Å; W146-Y149 VanDerWaalsContact O-CB 3.31Å; W146-Y149 WeakPolarHBondContact O-CB 3.49Å; W146-Y149 PolarHBondContact O-N 3.28Å; P147-Y149 VanDerWaalsContact C-N 3.26Å; P147-Y149 PolarHBondContact O-N 2.96Å; Y149-P151 VanDerWaalsContact C-CD 3.45Å; Y149-P151 HydrophobicContact CD1-CG 4.03Å; Y149-P151 HydrophobicContact CE1-CB 3.96Å; Y149-P151 HydrophobicContact CE1-CG 3.54Å; Y149-P151 HydrophobicContact CE2-CB 4.18Å; Y149-P151 HydrophobicContact CE2-CG 4.47Å; Y149-P151 VanDerWaalsContact O-CD 3.28Å; Y149-P151 WeakPolarHBondContact O-CD 3.4Å; Y149-R206 HydrophobicContact CD1-CG 4.34Å; Y149-R206 HydrophobicContact CE1-CB 4.33Å; Y149-R206 HydrophobicContact CE1-CG 3.8Å; Y149-R206 HydrophobicContact CE2-CB 4.12Å; Y149-R206 HydrophobicContact CE2-CG 4.27Å; Y149-G208 VanDerWaalsContact OH-CA 3.29Å; Y149-G208 WeakPolarHBondContact OH-CA 3.28Å; Y149-G208 PolarHBondContact OH-N 3.38Å; Y149-D329 WeakPolarHBondContact CE1-OD2 3.41Å; Y149-D329 VanDerWaalsContact OH-CG 3.23Å; Y149-D329 PolarHBondContact OH-OD1 2.75Å; Y149-D329 VanDerWaalsContact OH-OD1 3.11Å; Y149-D329 PolarHBondContact OH-OD2 3.09Å
150	S	97.9	Very high	97.4	Very high	85 Å²	85	66.6 Å²	66.6	59%	0.594	36%	0.355	S	S	*	.			trans	-120.7	69.8	-177	-154.7	0	0	0	0	111.5	F133 E148 V152	F133-S150 WeakPolarHBondContact CD2-O 3.44Å; F133-S150 WeakPolarHBondContact CG-O 3.47Å; E148-S150 PolarHBondContact O-N 3.3Å; E148-S150 VanDerWaalsContact O-N 3.13Å; S150-V152 PolarHBondContact O-N 3.11Å
151	P	98.3	Very high	97.3	Very high	30 Å²	30	74.4 Å²	74.4	20%	0.195	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-65.4	134.5	-176.2	27.5	-35.5	0	0	0	111.9	Y149 N153 G208 T210	Y149-P151 VanDerWaalsContact C-CD 3.45Å; Y149-P151 HydrophobicContact CD1-CG 4.03Å; Y149-P151 HydrophobicContact CE1-CB 3.96Å; Y149-P151 HydrophobicContact CE1-CG 3.54Å; Y149-P151 HydrophobicContact CE2-CB 4.18Å; Y149-P151 HydrophobicContact CE2-CG 4.47Å; Y149-P151 VanDerWaalsContact O-CD 3.28Å; Y149-P151 WeakPolarHBondContact O-CD 3.4Å; P151-N153 PolarHBondContact O-N 3.16Å; P151-G208 WeakPolarHBondContact CA-O 3.32Å; P151-T210 HydrophobicContact CB-CG2 3.91Å; P151-T210 HydrophobicContact CG-CG2 3.51Å
152	V	98	Very high	97.2	Very high	57 Å²	57	75.5 Å²	75.5	35%	0.345	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	133.9	177.1	179.6	0	0	0	0	109.2	I130 T131 S150 G208 L209 T210	I130-V152 HydrophobicContact CG2-CG1 3.92Å; T131-V152 WeakPolarHBondContact O-CG2 3.46Å; S150-V152 PolarHBondContact O-N 3.11Å; V152-G208 PolarHBondContact N-O 3.49Å; V152-L209 CarbonylContact O-C 3.57Å; V152-L209 VanDerWaalsContact O-CA 3.25Å; V152-L209 WeakPolarHBondContact O-CA 3.38Å; V152-T210 PolarHBondContact O-N 3.22Å
153	N	98	Very high	97.1	Very high	101 Å²	101	75 Å²	75	54%	0.54	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	124.9	174.6	-165.3	-96.6	0	0	0	110.7	P151 T210	P151-N153 PolarHBondContact O-N 3.16Å; N153-T210 WeakPolarHBondContact CA-O 3.16Å; N153-T210 PolarHBondContact ND2-O 3.16Å; N153-T210 PolarHBondContact ND2-OG1 3.39Å
154	H	98.2	Very high	97.1	Very high	27 Å²	27	76.4 Å²	76.4	13%	0.125	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	135.5	175.8	-178.4	60.5	0	0	0	112.5	Y125 I130 L209 T210 G211 R212 G213	Y125-H154 AromaticContact CD1-CD2 3.84Å; I130-H154 HydrophobicContact CG2-CB 4.22Å; H154-L209 HydrophobicContact CB-CD1 4.08Å; H154-L209 HydrophobicContact CB-CD2 4.18Å; H154-L209 HydrophobicContact CB-CG 4.23Å; H154-T210 PolarHBondContact N-O 3.16Å; H154-G211 CarbonylContact O-C 3.36Å; H154-R212 PolarHBondContact O-N 2.78Å; H154-G213 PolarHBondContact O-N 3.27Å
155	T	98.4	Very high	96.9	Very high	16 Å²	16	77.4 Å²	77.4	10%	0.098	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	133.1	162.8	-59.8	0	0	0	0	106.8	V159 L160 R212	T155-V159 HydrophobicContact CG2-CB 3.74Å; T155-V159 HydrophobicContact CG2-CG1 3.61Å; T155-L160 HydrophobicContact CG2-CD2 3.81Å; T155-L160 HydrophobicContact CG2-CG 4.03Å; T155-L160 WeakPolarHBondContact O-CD1 3.35Å; T155-R212 HydrophobicContact CG2-CB 4.15Å; T155-R212 PolarHBondContact OG1-N 3.05Å
156	A	97.8	Very high	97	Very high	6 Å²	6	69.1 Å²	69.1	5%	0.05	37%	0.371	C	S	.	.			trans	-71.7	148	-168.3	0	0	0	0	0	111.3	V158 V159 L160 G213 L214	A156-V158 HydrophobicContact CB-CG1 4.16Å; A156-V158 PolarHBondContact O-N 2.63Å; A156-V159 HydrophobicContact CB-CG2 4.39Å; A156-V159 PolarHBondContact O-N 2.96Å; A156-L160 PolarHBondContact O-N 2.84Å; A156-G213 WeakPolarHBondContact CB-O 3.36Å; A156-G213 PolarHBondContact N-O 2.84Å; A156-L214 HydrophobicContact CB-CD2 3.8Å; A156-L214 HydrophobicContact CB-CG 4.16Å
157	P	96.9	Very high	97	Very high	92 Å²	92	67.3 Å²	67.3	60%	0.597	36%	0.364	S	S	*	.	H	α-helix	trans	-57.3	-23.7	-179.4	-27.6	35.8	0	0	0	114.9	K161	P157-K161 VanDerWaalsContact O-CG 3.3Å; P157-K161 WeakPolarHBondContact O-CG 3.49Å; P157-K161 PolarHBondContact O-N 3.04Å
158	V	96.3	Very high	96.9	Very high	66 Å²	66	64 Å²	64	40%	0.4	34%	0.342	S	S	.	.	H	α-helix	trans	-71.8	-37.6	173.9	65.7	0	0	0	0	112.3	A156 P163 W165 L214	A156-V158 HydrophobicContact CB-CG1 4.16Å; A156-V158 PolarHBondContact O-N 2.63Å; V158-P163 VanDerWaalsContact O-CD 3.27Å; V158-P163 WeakPolarHBondContact O-CD 3.38Å; V158-W165 HydrophobicContact CG1-CH2 4.28Å; V158-W165 HydrophobicContact CG2-CH2 4.22Å; V158-W165 HydrophobicContact CG2-CZ2 3.9Å; V158-L214 HydrophobicContact CG1-CD2 4.13Å
159	V	97.8	Very high	96.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-73.8	-41.5	175.9	-177.6	0	0	0	0	110.4	T155 A156 K161 K162 W165 A166 G213 L214 L215	T155-V159 HydrophobicContact CG2-CB 3.74Å; T155-V159 HydrophobicContact CG2-CG1 3.61Å; A156-V159 HydrophobicContact CB-CG2 4.39Å; A156-V159 PolarHBondContact O-N 2.96Å; V159-K161 PolarHBondContact O-N 3.42Å; V159-K162 PolarHBondContact O-N 3.38Å; V159-W165 HydrophobicContact CG2-CH2 3.98Å; V159-W165 HydrophobicContact CG2-CZ3 3.97Å; V159-A166 HydrophobicContact CG1-CB 4.04Å; V159-G213 WeakPolarHBondContact CG2-O 3.43Å; V159-L214 WeakPolarHBondContact CG2-O 3.45Å; V159-L215 WeakPolarHBondContact CG1-O 3.47Å
160	L	96.5	Very high	96.5	Very high	88 Å²	88	59.8 Å²	59.8	46%	0.461	33%	0.326	S	S	.	.	H	α-helix	trans	-63.5	-20	178.2	-67.1	177.3	0	0	0	113.9	T155 A156 K162	T155-L160 HydrophobicContact CG2-CD2 3.81Å; T155-L160 HydrophobicContact CG2-CG 4.03Å; T155-L160 WeakPolarHBondContact O-CD1 3.35Å; A156-L160 PolarHBondContact O-N 2.84Å; L160-K162 PolarHBondContact O-N 3.12Å
161	K	96.8	Very high	96	Very high	171 Å²	171	58.5 Å²	58.5	74%	0.743	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-6.7	170.5	-76.8	169.3	-176.8	-178.4	0	113.9	P157 V159	P157-K161 VanDerWaalsContact O-CG 3.3Å; P157-K161 WeakPolarHBondContact O-CG 3.49Å; P157-K161 PolarHBondContact O-N 3.04Å; V159-K161 PolarHBondContact O-N 3.42Å
162	K	94.6	Very high	95.5	Very high	106 Å²	106	61.3 Å²	61.3	46%	0.461	35%	0.347	S	S	.	.			trans	52.9	52	179.7	-56.3	176.5	-173.5	-178.5	0	113.7	V159 L160 P168 D169	V159-K162 PolarHBondContact O-N 3.38Å; L160-K162 PolarHBondContact O-N 3.12Å; K162-P168 HydrophobicContact CD-CB 4.43Å; K162-D169 IonicContact NZ-OD2 3.36Å
163	P	95.6	Very high	95.3	Very high	38 Å²	38	61 Å²	61	25%	0.247	34%	0.341	C	S	.	.			trans	-61.1	163.1	166.9	30.1	-36.6	0	0	0	111	V158 W165 A166	V158-P163 VanDerWaalsContact O-CD 3.27Å; V158-P163 WeakPolarHBondContact O-CD 3.38Å; P163-W165 HydrophobicContact CB-CD2 4.45Å; P163-W165 HydrophobicContact CB-CZ2 4.5Å; P163-W165 HydrophobicContact CG-CD2 3.85Å; P163-W165 VanDerWaalsContact CG-CE2 3.42Å; P163-W165 HydrophobicContact CG-CE3 4.38Å; P163-W165 HydrophobicContact CG-CG 4.38Å; P163-W165 HydrophobicContact CG-CH2 4.16Å; P163-W165 HydrophobicContact CG-CZ2 3.61Å; P163-W165 PolarHBondContact O-N 2.87Å; P163-A166 HydrophobicContact CG-CB 3.92Å; P163-A166 PolarHBondContact O-N 2.65Å
164	V	94	Very high	95.1	Very high	136 Å²	136	61 Å²	61	82%	0.824	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-28.9	-174.2	67.4	0	0	0	0	114.7	A166 R217	V164-A166 VanDerWaalsContact C-N 3.35Å; V164-R217 PolarHBondContact O-NH2 3.13Å; V164-R217 VanDerWaalsContact O-NH2 3.1Å
165	W	93.9	Very high	95	Very high	104 Å²	104	60.6 Å²	60.6	39%	0.394	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-8.1	176.9	56.6	-106.8	0	0	0	114.3	V158 V159 P163 R217	V158-W165 HydrophobicContact CG1-CH2 4.28Å; V158-W165 HydrophobicContact CG2-CH2 4.22Å; V158-W165 HydrophobicContact CG2-CZ2 3.9Å; V159-W165 HydrophobicContact CG2-CH2 3.98Å; V159-W165 HydrophobicContact CG2-CZ3 3.97Å; P163-W165 HydrophobicContact CB-CD2 4.45Å; P163-W165 HydrophobicContact CB-CZ2 4.5Å; P163-W165 HydrophobicContact CG-CD2 3.85Å; P163-W165 VanDerWaalsContact CG-CE2 3.42Å; P163-W165 HydrophobicContact CG-CE3 4.38Å; P163-W165 HydrophobicContact CG-CG 4.38Å; P163-W165 HydrophobicContact CG-CH2 4.16Å; P163-W165 HydrophobicContact CG-CZ2 3.61Å; P163-W165 PolarHBondContact O-N 2.87Å; W165-R217 VanDerWaalsContact C-NH2 3.34Å; W165-R217 PolarHBondContact O-NE 2.85Å; W165-R217 PolarHBondContact O-NH2 2.81Å
166	A	97.2	Very high	95	Very high	8 Å²	8	66.1 Å²	66.1	7%	0.066	37%	0.371	C	S	.	.	S	Bend	trans	-106.8	144.4	180	0	0	0	0	0	112.4	V159 P163 V164 G216	V159-A166 HydrophobicContact CG1-CB 4.04Å; P163-A166 HydrophobicContact CG-CB 3.92Å; P163-A166 PolarHBondContact O-N 2.65Å; V164-A166 VanDerWaalsContact C-N 3.35Å; A166-G216 WeakPolarHBondContact CA-O 3.4Å
167	D	97.2	Very high	95	Very high	3 Å²	3	67.5 Å²	67.5	2%	0.016	38%	0.376	C	S	.	.			trans	-74.7	157.9	170.1	-67.1	-24.4	0	0	0	111.4	F173 R186 R212 G216 R217 W218	D167-F173 HydrophobicContact CB-CD1 4.17Å; D167-F173 HydrophobicContact CB-CE1 3.95Å; D167-R186 IonicContact OD1-CZ 3.88Å; D167-R186 IonicContact OD1-NH1 3.74Å; D167-R186 IonicContact OD1-NH2 2.92Å; D167-R186 PolarHBondContact OD1-NH2 3.41Å; D167-R186 IonicContact OD2-CZ 3.72Å; D167-R186 IonicContact OD2-NH1 2.85Å; D167-R186 PolarHBondContact OD2-NH1 3.26Å; D167-R186 IonicContact OD2-NH2 2.85Å; D167-R186 PolarHBondContact OD2-NH2 2.78Å; D167-R212 PolarHBondContact O-NH1 3.44Å; D167-R212 PolarHBondContact O-NH2 3.35Å; D167-G216 PolarHBondContact N-O 2.81Å; D167-R217 WeakPolarHBondContact OD1-CD 3.01Å; D167-R217 IonicContact OD1-CZ 3.37Å; D167-R217 IonicContact OD1-NE 3.56Å; D167-R217 IonicContact OD1-NH1 2.9Å; D167-R217 PolarHBondContact OD1-NH1 3.46Å; D167-R217 VanDerWaalsContact OD2-CA 3.29Å; D167-R217 WeakPolarHBondContact OD2-CA 3.18Å; D167-W218 PolarHBondContact OD2-N 3.18Å
168	P	96.1	Very high	95.1	Very high	44 Å²	44	65.1 Å²	65.1	29%	0.286	36%	0.359	S	S	.	.			trans	-66.5	175.3	157	-12	27.3	0	0	0	111.4	K162 F173 W218	K162-P168 HydrophobicContact CD-CB 4.43Å; P168-F173 HydrophobicContact CB-CB 3.77Å; P168-F173 HydrophobicContact CB-CG 4.36Å; P168-F173 HydrophobicContact CG-CB 3.92Å; P168-F173 HydrophobicContact CG-CD1 4.42Å; P168-F173 HydrophobicContact CG-CG 4.07Å; P168-W218 PolarHBondContact O-NE1 3.1Å
169	D	94.1	Very high	95.1	Very high	48 Å²	48	64 Å²	64	26%	0.257	36%	0.356	S	S	.	.			trans	-83.2	143.3	176	-55.1	-67.5	0	0	0	111.2	K162 S172 F173 R212	K162-D169 IonicContact NZ-OD2 3.36Å; D169-S172 PolarHBondContact O-N 2.81Å; D169-S172 VanDerWaalsContact O-N 3.16Å; D169-S172 PolarHBondContact O-OG 2.93Å; D169-F173 PolarHBondContact O-N 2.84Å; D169-R212 IonicContact OD1-CZ 3.53Å; D169-R212 IonicContact OD1-NH2 3.49Å; D169-R212 PolarHBondContact OD1-NH2 2.96Å
170	I	92.9	Very high	95.1	Very high	30 Å²	30	68.5 Å²	68.5	15%	0.154	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-52.3	143.4	179.6	-58.8	-57.6	0	0	0	111.2	S172 P175 F177 E198 K199 W218	I170-S172 VanDerWaalsContact C-N 3.26Å; I170-S172 PolarHBondContact O-N 3.06Å; I170-P175 HydrophobicContact CD1-CG 3.73Å; I170-F177 HydrophobicContact CD1-CE2 4.45Å; I170-F177 HydrophobicContact CD1-CZ 3.96Å; I170-E198 HydrophobicContact CG2-CB 3.51Å; I170-E198 WeakPolarHBondContact CG2-O 3.5Å; I170-K199 HydrophobicContact CG1-CG 4.1Å; I170-W218 HydrophobicContact CD1-CD2 4.19Å; I170-W218 HydrophobicContact CD1-CG 3.95Å; I170-W218 HydrophobicContact CG1-CD2 3.89Å; I170-W218 HydrophobicContact CG1-CE3 4.39Å; I170-W218 HydrophobicContact CG1-CG 4.2Å; I170-W218 HydrophobicContact CG1-CZ2 4.12Å
171	G	87.1	Confident	95.1	Very high	58 Å²	58	65.5 Å²	65.5	60%	0.598	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.9	-38.9	-173.2	0	0	0	0	0	112.8	F173	G171-F173 VanDerWaalsContact C-N 3.27Å; G171-F173 PolarHBondContact N-O 2.97Å
172	S	88.6	Confident	95	Very high	88 Å²	88	60.2 Å²	60.2	62%	0.615	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-11.2	162.9	75.7	0	0	0	0	112.8	D169 I170	D169-S172 PolarHBondContact O-N 2.81Å; D169-S172 VanDerWaalsContact O-N 3.16Å; D169-S172 PolarHBondContact O-OG 2.93Å; I170-S172 VanDerWaalsContact C-N 3.26Å; I170-S172 PolarHBondContact O-N 3.06Å
173	F	93.1	Very high	95.1	Very high	51 Å²	51	59.1 Å²	59.1	22%	0.224	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-147.4	140.8	-176.8	171.1	-125.8	0	0	0	109.7	D167 P168 D169 G171 P175	D167-F173 HydrophobicContact CB-CD1 4.17Å; D167-F173 HydrophobicContact CB-CE1 3.95Å; P168-F173 HydrophobicContact CB-CB 3.77Å; P168-F173 HydrophobicContact CB-CG 4.36Å; P168-F173 HydrophobicContact CG-CB 3.92Å; P168-F173 HydrophobicContact CG-CD1 4.42Å; P168-F173 HydrophobicContact CG-CG 4.07Å; D169-F173 PolarHBondContact O-N 2.84Å; G171-F173 VanDerWaalsContact C-N 3.27Å; G171-F173 PolarHBondContact N-O 2.97Å; F173-P175 HydrophobicContact CD1-CB 4.38Å; F173-P175 HydrophobicContact CD1-CG 4.2Å; F173-P175 HydrophobicContact CE1-CB 3.58Å; F173-P175 HydrophobicContact CE1-CG 3.85Å; F173-P175 HydrophobicContact CE2-CB 4.5Å; F173-P175 HydrophobicContact CZ-CB 3.64Å; F173-P175 HydrophobicContact CZ-CG 4.33Å; F173-P175 WeakPolarHBondContact O-CD 3.29Å
174	S	93.3	Very high	95.1	Very high	102 Å²	102	58.2 Å²	58.2	71%	0.713	36%	0.359	S	S	*	.			trans	-124.6	76.4	-174.1	-54.7	0	0	0	0	110.4
175	P	96.8	Very high	95.3	Very high	18 Å²	18	54.5 Å²	54.5	12%	0.117	33%	0.334	C	S	.	.			trans	-67.6	150	-177.8	25.6	-33.9	0	0	0	113.4	I170 F173 F177 D181	I170-P175 HydrophobicContact CD1-CG 3.73Å; F173-P175 HydrophobicContact CD1-CB 4.38Å; F173-P175 HydrophobicContact CD1-CG 4.2Å; F173-P175 HydrophobicContact CE1-CB 3.58Å; F173-P175 HydrophobicContact CE1-CG 3.85Å; F173-P175 HydrophobicContact CE2-CB 4.5Å; F173-P175 HydrophobicContact CZ-CB 3.64Å; F173-P175 HydrophobicContact CZ-CG 4.33Å; F173-P175 WeakPolarHBondContact O-CD 3.29Å; P175-F177 HydrophobicContact CB-CD1 4.45Å; P175-F177 HydrophobicContact CB-CE1 4.15Å; P175-F177 HydrophobicContact CB-CZ 4.22Å; P175-F177 HydrophobicContact CG-CD1 4.32Å; P175-F177 HydrophobicContact CG-CD2 4.24Å; P175-F177 HydrophobicContact CG-CE1 3.7Å; P175-F177 HydrophobicContact CG-CE2 3.61Å; P175-F177 HydrophobicContact CG-CZ 3.29Å; P175-F177 PolarHBondContact O-N 3Å; P175-D181 WeakPolarHBondContact CA-OD2 3.4Å
176	K	97.8	Very high	95.5	Very high	132 Å²	132	49.8 Å²	49.8	57%	0.574	32%	0.317	S	S	*	.			trans	-87.4	79.2	170.5	-60.8	173.4	-165.9	154.5	0	110.7	D181	K176-D181 HydrophobicContact CB-CB 4Å; K176-D181 WeakPolarHBondContact CD-OD1 3.25Å; K176-D181 WeakPolarHBondContact CG-OD1 3.24Å; K176-D181 PolarHBondContact N-OD2 3.06Å; K176-D181 IonicContact NZ-OD1 3.96Å
177	F	98.3	Very high	95.5	Very high	34 Å²	34	51.2 Å²	51.2	15%	0.149	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	151.2	174.1	-65.9	-53.9	0	0	0	112.9	I170 P175 A179 Y193 V195 E198 P200 W218	I170-F177 HydrophobicContact CD1-CE2 4.45Å; I170-F177 HydrophobicContact CD1-CZ 3.96Å; P175-F177 HydrophobicContact CB-CD1 4.45Å; P175-F177 HydrophobicContact CB-CE1 4.15Å; P175-F177 HydrophobicContact CB-CZ 4.22Å; P175-F177 HydrophobicContact CG-CD1 4.32Å; P175-F177 HydrophobicContact CG-CD2 4.24Å; P175-F177 HydrophobicContact CG-CE1 3.7Å; P175-F177 HydrophobicContact CG-CE2 3.61Å; P175-F177 HydrophobicContact CG-CZ 3.29Å; P175-F177 PolarHBondContact O-N 3Å; F177-A179 PolarHBondContact O-N 2.93Å; F177-Y193 WeakPolarHBondContact CA-OH 3.45Å; F177-Y193 HydrophobicContact CB-CE2 3.85Å; F177-Y193 WeakPolarHBondContact CB-OH 3.22Å; F177-Y193 HydrophobicContact CD1-CE2 4.09Å; F177-Y193 WeakPolarHBondContact CD1-OH 3.35Å; F177-Y193 HydrophobicContact CG-CE2 4.15Å; F177-V195 HydrophobicContact CB-CG2 3.9Å; F177-V195 HydrophobicContact CD2-CG1 3.95Å; F177-V195 HydrophobicContact CD2-CG2 3.84Å; F177-V195 HydrophobicContact CE2-CG1 4.23Å; F177-V195 HydrophobicContact CG-CG2 4.05Å; F177-E198 WeakPolarHBondContact CE2-O 3.36Å; F177-P200 HydrophobicContact CD1-CB 4.44Å; F177-P200 HydrophobicContact CD1-CG 4.45Å; F177-P200 HydrophobicContact CE1-CB 4.31Å; F177-P200 HydrophobicContact CE1-CG 3.87Å; F177-P200 HydrophobicContact CZ-CG 4.09Å; F177-W218 HydrophobicContact CE1-CB 3.77Å; F177-W218 HydrophobicContact CZ-CB 3.96Å
178	N	98.4	Very high	95.6	Very high	43 Å²	43	51.6 Å²	51.6	23%	0.23	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	25.9	-177.5	-63.7	-76.4	0	0	0	114.7	R186 K192 Y193	N178-R186 PolarHBondContact N-O 3.06Å; N178-R186 VanDerWaalsContact N-O 3.17Å; N178-K192 HydrophobicContact CB-CG 4.44Å; N178-K192 VanDerWaalsContact OD1-CA 3.24Å; N178-K192 WeakPolarHBondContact OD1-CA 3.21Å; N178-Y193 PolarHBondContact N-OH 2.87Å; N178-Y193 PolarHBondContact ND2-O 2.69Å; N178-Y193 VanDerWaalsContact OD1-CD1 3.27Å; N178-Y193 WeakPolarHBondContact OD1-CD1 3.13Å; N178-Y193 WeakPolarHBondContact OD1-CE1 3.26Å; N178-Y193 PolarHBondContact OD1-N 3.45Å
179	A	97.9	Very high	95.6	Very high	41 Å²	41	51.6 Å²	51.6	34%	0.339	33%	0.325	S	S	.	.	S	Bend	trans	-152.3	170.9	179.4	0	0	0	0	0	111.5	F177 R186 S187	F177-A179 PolarHBondContact O-N 2.93Å; A179-R186 CarbonylContact O-C 3.52Å; A179-R186 WeakPolarHBondContact O-CA 3.33Å; A179-R186 WeakPolarHBondContact O-CB 3.49Å; A179-R186 PolarHBondContact O-N 2.68Å; A179-S187 PolarHBondContact O-N 3.18Å
180	V	96.9	Very high	95.6	Very high	96 Å²	96	52.3 Å²	52.3	58%	0.582	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	123.8	167.2	-176	0	0	0	0	109.3	D185	V180-D185 HydrophobicContact CG2-CB 4.49Å
181	D	96.8	Very high	95.8	Very high	25 Å²	25	52.7 Å²	52.7	13%	0.134	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	75	-170.5	-166.7	24	0	0	0	110.9	P175 K176 V184 R186	P175-D181 WeakPolarHBondContact CA-OD2 3.4Å; K176-D181 HydrophobicContact CB-CB 4Å; K176-D181 WeakPolarHBondContact CD-OD1 3.25Å; K176-D181 WeakPolarHBondContact CG-OD1 3.24Å; K176-D181 PolarHBondContact N-OD2 3.06Å; K176-D181 IonicContact NZ-OD1 3.96Å; D181-V184 WeakPolarHBondContact CA-O 3.41Å; D181-V184 PolarHBondContact N-O 3.18Å; D181-V184 PolarHBondContact O-N 3.28Å; D181-R186 HydrophobicContact CB-CG 4.06Å; D181-R186 IonicContact OD2-CZ 3.78Å; D181-R186 IonicContact OD2-NE 2.85Å; D181-R186 PolarHBondContact OD2-NE 3.31Å
182	G	95.3	Very high	96.3	Very high	60 Å²	60	59 Å²	59	62%	0.619	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	-123.5	-170.4	0	0	0	0	0	110.2	V184	G182-V184 VanDerWaalsContact C-N 3.31Å
183	P	95.1	Very high	96.8	Very high	83 Å²	83	55.4 Å²	55.4	54%	0.539	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-2.7	177.4	35.9	-35.8	0	0	0	113.8	P272 G273	P183-P272 HydrophobicContact CB-CB 4Å; P183-P272 HydrophobicContact CG-CB 4.34Å; P183-P272 CarbonylContact O-C 3.57Å; P183-P272 WeakPolarHBondContact O-CA 3.34Å; P183-G273 PolarHBondContact O-N 2.85Å
184	V	96.6	Very high	97	Very high	18 Å²	18	58.3 Å²	58.3	11%	0.109	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	115.2	-179.4	-177.6	0	0	0	0	109.1	D181 G182 R186 R217	D181-V184 WeakPolarHBondContact CA-O 3.41Å; D181-V184 PolarHBondContact N-O 3.18Å; D181-V184 PolarHBondContact O-N 3.28Å; G182-V184 VanDerWaalsContact C-N 3.31Å; V184-R186 HydrophobicContact CG1-CG 3.95Å; V184-R217 HydrophobicContact CG1-CG 4.3Å
185	D	97.2	Very high	97.2	Very high	58 Å²	58	56.7 Å²	56.7	31%	0.31	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	130.7	163.6	-161.4	-11.9	0	0	0	109	V180 S187	V180-D185 HydrophobicContact CG2-CB 4.49Å; D185-S187 VanDerWaalsContact CG-OG 3.3Å; D185-S187 VanDerWaalsContact OD1-CB 3.28Å; D185-S187 WeakPolarHBondContact OD1-CB 3.36Å; D185-S187 PolarHBondContact OD1-N 2.88Å; D185-S187 PolarHBondContact OD1-OG 2.58Å; D185-S187 PolarHBondContact OD2-OG 3.13Å
186	R	98.3	Very high	97.2	Very high	6 Å²	6	61.7 Å²	61.7	2%	0.023	34%	0.342	C	S	.	.			trans	-122.4	10.6	174.7	-53.4	-176.6	179.5	-76	-8.7	111	D167 N178 A179 D181 V184 Y193	D167-R186 IonicContact OD1-CZ 3.88Å; D167-R186 IonicContact OD1-NH1 3.74Å; D167-R186 IonicContact OD1-NH2 2.92Å; D167-R186 PolarHBondContact OD1-NH2 3.41Å; D167-R186 IonicContact OD2-CZ 3.72Å; D167-R186 IonicContact OD2-NH1 2.85Å; D167-R186 PolarHBondContact OD2-NH1 3.26Å; D167-R186 IonicContact OD2-NH2 2.85Å; D167-R186 PolarHBondContact OD2-NH2 2.78Å; N178-R186 PolarHBondContact N-O 3.06Å; N178-R186 VanDerWaalsContact N-O 3.17Å; A179-R186 CarbonylContact O-C 3.52Å; A179-R186 WeakPolarHBondContact O-CA 3.33Å; A179-R186 WeakPolarHBondContact O-CB 3.49Å; A179-R186 PolarHBondContact O-N 2.68Å; D181-R186 HydrophobicContact CB-CG 4.06Å; D181-R186 IonicContact OD2-CZ 3.78Å; D181-R186 IonicContact OD2-NE 2.85Å; D181-R186 PolarHBondContact OD2-NE 3.31Å; V184-R186 HydrophobicContact CG1-CG 3.95Å; R186-Y193 VanDerWaalsContact O-CE1 3.24Å; R186-Y193 WeakPolarHBondContact O-CE1 3.26Å; R186-Y193 VanDerWaalsContact O-CZ 3.31Å; R186-Y193 PolarHBondContact O-OH 3.09Å
187	S	97.9	Very high	96.9	Very high	37 Å²	37	60.6 Å²	60.6	26%	0.259	35%	0.351	S	S	.	.			trans	-74.4	153.5	167.7	72.2	0	0	0	0	110.5	A179 D185 P220 H222	A179-S187 PolarHBondContact O-N 3.18Å; D185-S187 VanDerWaalsContact CG-OG 3.3Å; D185-S187 VanDerWaalsContact OD1-CB 3.28Å; D185-S187 WeakPolarHBondContact OD1-CB 3.36Å; D185-S187 PolarHBondContact OD1-N 2.88Å; D185-S187 PolarHBondContact OD1-OG 2.58Å; D185-S187 PolarHBondContact OD2-OG 3.13Å; S187-P220 VanDerWaalsContact O-CG 3.31Å; S187-P220 WeakPolarHBondContact O-CG 3.45Å; S187-H222 PolarHBondContact O-CE1 3.22Å; S187-H222 PolarHBondContact O-NE2 3.47Å; S187-H222 VanDerWaalsContact O-NE2 3.16Å
188	S	98.2	Very high	96.7	Very high	12 Å²	12	65.2 Å²	65.2	8%	0.084	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-109.4	142.4	176.3	165.5	0	0	0	0	110	E190 G191 E334	S188-E190 PolarHBondContact O-N 3.38Å; S188-E190 PolarHBondContact OG-N 2.72Å; S188-E190 VanDerWaalsContact OG-N 3.1Å; S188-G191 WeakPolarHBondContact CB-O 3.32Å; S188-G191 PolarHBondContact O-N 3.15Å; S188-E334 WeakPolarHBondContact CA-OE2 3.38Å; S188-E334 WeakPolarHBondContact CB-OE1 3.38Å; S188-E334 PolarHBondContact OG-OE1 3.42Å; S188-E334 PolarHBondContact OG-OE2 3.4Å
189	F	97.2	Very high	96.7	Very high	43 Å²	43	66.6 Å²	66.6	19%	0.189	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.1	174.6	-57	-21.1	0	0	0	112.4	G191 H222 K319 E334 V336	F189-G191 VanDerWaalsContact C-N 3.31Å; F189-H222 AromaticContact CE1-CE1 3.8Å; F189-H222 AromaticContact CE1-ND1 3.86Å; F189-H222 AromaticContact CE2-ND1 3.61Å; F189-H222 AromaticContact CZ-CE1 3.79Å; F189-H222 AromaticContact CZ-ND1 3.35Å; F189-H222 WeakPolarHBondContact CZ-ND1 3.33Å; F189-K319 HydrophobicContact CB-CG 4.01Å; F189-K319 HydrophobicContact CD1-CD 4.49Å; F189-K319 HydrophobicContact CD1-CG 4.42Å; F189-K319 HydrophobicContact CD2-CD 4.28Å; F189-K319 HydrophobicContact CD2-CG 3.52Å; F189-K319 HydrophobicContact CE2-CG 4.05Å; F189-K319 HydrophobicContact CG-CD 4.27Å; F189-K319 VanDerWaalsContact CG-CE 3.47Å; F189-K319 HydrophobicContact CG-CG 3.72Å; F189-E334 WeakPolarHBondContact CB-OE2 3.29Å; F189-E334 HydrophobicContact CD2-CB 4.1Å; F189-E334 HydrophobicContact CE2-CB 4.36Å; F189-E334 WeakPolarHBondContact CG-OE2 3.35Å; F189-E334 PolarHBondContact N-OE2 3Å; F189-V336 HydrophobicContact CD2-CG2 4.44Å; F189-V336 HydrophobicContact CE2-CG2 3.55Å; F189-V336 HydrophobicContact CZ-CG2 3.84Å
190	E	94.2	Very high	96.7	Very high	63 Å²	63	64.6 Å²	64.6	29%	0.294	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	1.2	171.5	-57.2	-75.5	-178.9	0	0	112.7	S188 R204 Y321	S188-E190 PolarHBondContact O-N 3.38Å; S188-E190 PolarHBondContact OG-N 2.72Å; S188-E190 VanDerWaalsContact OG-N 3.1Å; E190-R204 IonicContact OE1-CZ 3.18Å; E190-R204 IonicContact OE1-NE 3.65Å; E190-R204 IonicContact OE1-NH2 2.79Å; E190-R204 PolarHBondContact OE1-NH2 3.47Å; E190-R204 IonicContact OE2-CZ 3.55Å; E190-R204 IonicContact OE2-NH2 3.66Å; E190-R204 PolarHBondContact OE2-NH2 3.14Å; E190-Y321 WeakPolarHBondContact OE1-CB 3.3Å; E190-Y321 PolarHBondContact OE1-N 2.87Å
191	G	96.5	Very high	96.8	Very high	38 Å²	38	60.7 Å²	60.7	39%	0.392	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	100.7	-145.4	-178.4	0	0	0	0	0	113.2	S188 F189	S188-G191 WeakPolarHBondContact CB-O 3.32Å; S188-G191 PolarHBondContact O-N 3.15Å; F189-G191 VanDerWaalsContact C-N 3.31Å
192	K	98.1	Very high	96.8	Very high	191 Å²	191	59.5 Å²	59.5	83%	0.83	33%	0.33	S	S	*	.			trans	-88.7	115.4	-177.3	-71.1	-172.2	177.7	-177.8	0	111.8	N178	N178-K192 HydrophobicContact CB-CG 4.44Å; N178-K192 VanDerWaalsContact OD1-CA 3.24Å; N178-K192 WeakPolarHBondContact OD1-CA 3.21Å
193	Y	98.3	Very high	97	Very high	12 Å²	12	59.1 Å²	59.1	5%	0.047	32%	0.316	C	S	.	.			trans	-82.2	151.6	172.5	54.7	-97.5	0	0	0	111.9	F177 N178 R186 V195 P200 P220 W332	F177-Y193 WeakPolarHBondContact CA-OH 3.45Å; F177-Y193 HydrophobicContact CB-CE2 3.85Å; F177-Y193 WeakPolarHBondContact CB-OH 3.22Å; F177-Y193 HydrophobicContact CD1-CE2 4.09Å; F177-Y193 WeakPolarHBondContact CD1-OH 3.35Å; F177-Y193 HydrophobicContact CG-CE2 4.15Å; N178-Y193 PolarHBondContact N-OH 2.87Å; N178-Y193 PolarHBondContact ND2-O 2.69Å; N178-Y193 VanDerWaalsContact OD1-CD1 3.27Å; N178-Y193 WeakPolarHBondContact OD1-CD1 3.13Å; N178-Y193 WeakPolarHBondContact OD1-CE1 3.26Å; N178-Y193 PolarHBondContact OD1-N 3.45Å; R186-Y193 VanDerWaalsContact O-CE1 3.24Å; R186-Y193 WeakPolarHBondContact O-CE1 3.26Å; R186-Y193 VanDerWaalsContact O-CZ 3.31Å; R186-Y193 PolarHBondContact O-OH 3.09Å; Y193-V195 HydrophobicContact CD2-CG2 4.19Å; Y193-V195 HydrophobicContact CE2-CG2 4.04Å; Y193-P200 HydrophobicContact CD2-CB 3.69Å; Y193-P200 HydrophobicContact CE2-CB 3.52Å; Y193-P220 HydrophobicContact CE1-CG 4.1Å; Y193-W332 AromaticContact CD1-CH2 3.86Å; Y193-W332 HydrophobicContact CD1-CH2 3.86Å; Y193-W332 AromaticContact CD1-CZ2 3.65Å; Y193-W332 HydrophobicContact CD1-CZ2 3.65Å; Y193-W332 AromaticContact CD2-CH2 3.9Å; Y193-W332 HydrophobicContact CD2-CH2 3.9Å; Y193-W332 HydrophobicContact CE1-CH2 4.3Å; Y193-W332 HydrophobicContact CE1-CZ2 4.12Å; Y193-W332 HydrophobicContact CE2-CH2 4.35Å; Y193-W332 AromaticContact CG-CH2 3.64Å; Y193-W332 HydrophobicContact CG-CH2 3.64Å; Y193-W332 AromaticContact CG-CZ2 3.88Å; Y193-W332 HydrophobicContact CG-CZ2 3.88Å
194	K	98.3	Very high	97.1	Very high	113 Å²	113	59.3 Å²	59.3	49%	0.491	31%	0.306	S	S	.	.			trans	-68.6	147.1	175.7	-64.2	176.1	-177.7	174	0	110.2	N143 L201	N143-K194 PolarHBondContact OD1-NZ 3.27Å; K194-L201 HydrophobicContact CB-CB 4.3Å; K194-L201 HydrophobicContact CB-CD1 4.21Å; K194-L201 PolarHBondContact O-N 2.86Å
195	V	98	Very high	97.1	Very high	68 Å²	68	58.5 Å²	58.5	41%	0.412	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127	170.2	178.4	0	0	0	0	107.6	F177 Y193 K199	F177-V195 HydrophobicContact CB-CG2 3.9Å; F177-V195 HydrophobicContact CD2-CG1 3.95Å; F177-V195 HydrophobicContact CD2-CG2 3.84Å; F177-V195 HydrophobicContact CE2-CG1 4.23Å; F177-V195 HydrophobicContact CG-CG2 4.05Å; Y193-V195 HydrophobicContact CD2-CG2 4.19Å; Y193-V195 HydrophobicContact CE2-CG2 4.04Å; V195-K199 CarbonylContact C-O 3.51Å; V195-K199 VanDerWaalsContact CA-O 3.29Å; V195-K199 WeakPolarHBondContact CA-O 3.4Å; V195-K199 WeakPolarHBondContact CG1-O 3.28Å
196	E	95.3	Very high	97.2	Very high	123 Å²	123	56.5 Å²	56.5	58%	0.575	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.6	135	-175.2	-172.9	170.2	-86.9	0	0	109.3	E198 K199 L201	E196-E198 PolarHBondContact O-N 2.93Å; E196-K199 PolarHBondContact N-O 3.13Å; E196-K199 PolarHBondContact O-N 3.02Å; E196-K199 VanDerWaalsContact O-O 3.05Å; E196-L201 HydrophobicContact CB-CD1 3.86Å; E196-L201 HydrophobicContact CB-CG 4.16Å
197	S	91.9	Very high	97.2	Very high	108 Å²	108	56.2 Å²	56.2	76%	0.755	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.5	47.3	-172.5	-59.4	0	0	0	0	113.1	K199	S197-K199 PolarHBondContact O-N 2.74Å
198	E	95	Very high	97.2	Very high	132 Å²	132	54.5 Å²	54.5	62%	0.617	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	10.7	-177.2	-55.7	-174.8	106.5	0	0	115.8	I170 F177 E196	I170-E198 HydrophobicContact CG2-CB 3.51Å; I170-E198 WeakPolarHBondContact CG2-O 3.5Å; F177-E198 WeakPolarHBondContact CE2-O 3.36Å; E196-E198 PolarHBondContact O-N 2.93Å
199	K	97	Very high	97.3	Very high	71 Å²	71	53.9 Å²	53.9	31%	0.309	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	146	178.1	-71.2	166.2	-175.2	167	0	110.9	I170 V195 E196 S197 W218	I170-K199 HydrophobicContact CG1-CG 4.1Å; V195-K199 CarbonylContact C-O 3.51Å; V195-K199 VanDerWaalsContact CA-O 3.29Å; V195-K199 WeakPolarHBondContact CA-O 3.4Å; V195-K199 WeakPolarHBondContact CG1-O 3.28Å; E196-K199 PolarHBondContact N-O 3.13Å; E196-K199 PolarHBondContact O-N 3.02Å; E196-K199 VanDerWaalsContact O-O 3.05Å; S197-K199 PolarHBondContact O-N 2.74Å; K199-W218 HydrophobicContact CD-CZ3 4.21Å; K199-W218 HydrophobicContact CG-CE3 4.43Å; K199-W218 HydrophobicContact CG-CZ3 4.17Å
200	P	98.3	Very high	97.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	152.7	174.5	32.8	-32.1	0	0	0	109.8	F177 Y193 W218 G219 N330 W332	F177-P200 HydrophobicContact CD1-CB 4.44Å; F177-P200 HydrophobicContact CD1-CG 4.45Å; F177-P200 HydrophobicContact CE1-CB 4.31Å; F177-P200 HydrophobicContact CE1-CG 3.87Å; F177-P200 HydrophobicContact CZ-CG 4.09Å; Y193-P200 HydrophobicContact CD2-CB 3.69Å; Y193-P200 HydrophobicContact CE2-CB 3.52Å; P200-W218 HydrophobicContact CG-CB 4.23Å; P200-G219 VanDerWaalsContact CG-N 3.32Å; P200-N330 WeakPolarHBondContact CG-O 3.14Å; P200-N330 WeakPolarHBondContact O-CA 3.47Å; P200-N330 PolarHBondContact O-ND2 2.86Å; P200-W332 HydrophobicContact CB-CH2 4.06Å; P200-W332 HydrophobicContact CB-CZ3 4.09Å; P200-W332 HydrophobicContact CG-CZ3 4.41Å
201	L	98.3	Very high	97.5	Very high	14 Å²	14	50.2 Å²	50.2	7%	0.073	26%	0.258	C	S	.	.			trans	-109.6	131.1	172.8	-64.1	180	0	0	0	110.3	W142 K194 E196 D329	W142-L201 HydrophobicContact CD2-CD1 4.41Å; W142-L201 HydrophobicContact CH2-CD2 4.05Å; W142-L201 HydrophobicContact CZ2-CB 4.44Å; W142-L201 HydrophobicContact CZ2-CD2 4.16Å; W142-L201 HydrophobicContact CZ3-CD2 4.29Å; K194-L201 HydrophobicContact CB-CB 4.3Å; K194-L201 HydrophobicContact CB-CD1 4.21Å; K194-L201 PolarHBondContact O-N 2.86Å; E196-L201 HydrophobicContact CB-CD1 3.86Å; E196-L201 HydrophobicContact CB-CG 4.16Å; L201-D329 CarbonylContact C-O 3.49Å; L201-D329 WeakPolarHBondContact CA-O 3.4Å
202	N	98.6	Very high	97.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.239	C	C	.	.			trans	-54.9	121.7	-179.8	-174.2	-44.7	0	0	0	111.5	W142 R204 G205 Y321 T328 D329 W332	W142-N202 PolarHBondContact NE1-O 2.68Å; N202-R204 PolarHBondContact O-N 3.4Å; N202-R204 VanDerWaalsContact O-N 3.1Å; N202-R204 PolarHBondContact OD1-N 2.9Å; N202-R204 VanDerWaalsContact OD1-N 3.13Å; N202-G205 PolarHBondContact O-N 3.16Å; N202-G205 VanDerWaalsContact O-N 3.11Å; N202-Y321 VanDerWaalsContact CG-OH 3.28Å; N202-Y321 PolarHBondContact ND2-OH 2.78Å; N202-Y321 WeakPolarHBondContact OD1-CE2 3.45Å; N202-Y321 PolarHBondContact OD1-OH 3.03Å; N202-T328 WeakPolarHBondContact CB-O 3.46Å; N202-T328 PolarHBondContact ND2-O 3.43Å; N202-D329 PolarHBondContact N-O 3.01Å; N202-W332 HydrophobicContact CB-CE3 4.04Å; N202-W332 HydrophobicContact CB-CZ3 4.46Å
203	P	97.8	Very high	97.6	Very high	51 Å²	51	39.3 Å²	39.3	33%	0.331	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-14.6	-170.4	26.8	-35.4	0	0	0	113.8	Y321 W332	P203-Y321 HydrophobicContact CG-CD2 3.98Å; P203-Y321 HydrophobicContact CG-CE2 4.2Å; P203-W332 VanDerWaalsContact CD-CZ2 3.48Å; P203-W332 HydrophobicContact CG-CD2 4.48Å; P203-W332 HydrophobicContact CG-CZ2 4.05Å
204	R	97.4	Very high	97.6	Very high	88 Å²	88	40.3 Å²	40.3	33%	0.332	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-1	176.8	-60.2	-58.4	-172	163.7	-4.1	114.6	H117 V140 E190 N202 Y321	H117-R204 HydrophobicContact CB-CB 4.45Å; V140-R204 WeakPolarHBondContact CG1-O 3.37Å; E190-R204 IonicContact OE1-CZ 3.18Å; E190-R204 IonicContact OE1-NE 3.65Å; E190-R204 IonicContact OE1-NH2 2.79Å; E190-R204 PolarHBondContact OE1-NH2 3.47Å; E190-R204 IonicContact OE2-CZ 3.55Å; E190-R204 IonicContact OE2-NH2 3.66Å; E190-R204 PolarHBondContact OE2-NH2 3.14Å; N202-R204 PolarHBondContact O-N 3.4Å; N202-R204 VanDerWaalsContact O-N 3.1Å; N202-R204 PolarHBondContact OD1-N 2.9Å; N202-R204 VanDerWaalsContact OD1-N 3.13Å; R204-Y321 HydrophobicContact CB-CD1 4.36Å; R204-Y321 HydrophobicContact CB-CE1 3.88Å; R204-Y321 HydrophobicContact CB-CE2 4.05Å; R204-Y321 HydrophobicContact CG-CD1 3.5Å; R204-Y321 HydrophobicContact CG-CD2 3.7Å; R204-Y321 HydrophobicContact CG-CE1 3.54Å; R204-Y321 HydrophobicContact CG-CE2 3.71Å; R204-Y321 HydrophobicContact CG-CG 3.56Å
205	G	97.9	Very high	97.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.01	18%	0.183	C	C	.	.			trans	120.2	-166.7	171.2	0	0	0	0	0	115.9	H117 V140 N202	H117-G205 PolarHBondContact CE1-O 3.07Å; V140-G205 CarbonylContact O-C 3.51Å; V140-G205 WeakPolarHBondContact O-CA 3.4Å; N202-G205 PolarHBondContact O-N 3.16Å; N202-G205 VanDerWaalsContact O-N 3.11Å
206	R	98.6	Very high	97.6	Very high	15 Å²	15	32.2 Å²	32.2	6%	0.057	17%	0.166	C	C	.	.			trans	-71.5	125.6	-179.6	-69.6	-176.5	-173.5	89.4	7	112	H117 V135 K139 V140 D141 W142 Q144 Y149	H117-R206 PolarHBondContact NE2-O 3.38Å; V135-R206 HydrophobicContact CG1-CB 3.97Å; V135-R206 HydrophobicContact CG2-CB 4.13Å; K139-R206 WeakPolarHBondContact O-CD 3.48Å; K139-R206 PolarHBondContact O-NH1 3.31Å; V140-R206 PolarHBondContact O-N 3.47Å; D141-R206 PolarHBondContact O-NH1 2.92Å; W142-R206 HydrophobicContact CD2-CG 4.12Å; W142-R206 HydrophobicContact CE3-CG 3.76Å; W142-R206 HydrophobicContact CH2-CG 3.73Å; W142-R206 HydrophobicContact CZ2-CG 4.08Å; W142-R206 HydrophobicContact CZ3-CG 3.57Å; W142-R206 PolarHBondContact O-NH2 3.47Å; Q144-R206 PolarHBondContact O-NH1 3.21Å; Q144-R206 PolarHBondContact O-NH2 3.06Å; Y149-R206 HydrophobicContact CD1-CG 4.34Å; Y149-R206 HydrophobicContact CE1-CB 4.33Å; Y149-R206 HydrophobicContact CE1-CG 3.8Å; Y149-R206 HydrophobicContact CE2-CB 4.12Å; Y149-R206 HydrophobicContact CE2-CG 4.27Å
207	T	98.6	Very high	97.7	Very high	1 Å²	1	28 Å²	28	1%	0.006	15%	0.145	C	C	.	.			trans	-100.1	-8.8	177.9	72.4	0	0	0	0	113.7	S120 R132 L209 T328 D329	S120-T207 WeakPolarHBondContact O-CB 3.25Å; R132-T207 WeakPolarHBondContact CD-O 3.48Å; R132-T207 PolarHBondContact NH1-O 2.69Å; R132-T207 VanDerWaalsContact NH1-O 3.16Å; R132-T207 PolarHBondContact NH1-OG1 2.78Å; T207-L209 VanDerWaalsContact C-N 3.35Å; T207-L209 PolarHBondContact OG1-N 3.41Å; T207-L209 PolarHBondContact OG1-O 2.95Å; T207-T328 VanDerWaalsContact CG2-C 3.48Å; T207-T328 VanDerWaalsContact OG1-CA 3.28Å; T207-T328 WeakPolarHBondContact OG1-CA 3.28Å; T207-D329 WeakPolarHBondContact CA-OD1 3.38Å; T207-D329 WeakPolarHBondContact CB-OD1 3.28Å; T207-D329 PolarHBondContact N-OD1 2.84Å; T207-D329 PolarHBondContact OG1-N 2.74Å; T207-D329 PolarHBondContact OG1-OD1 3.05Å
208	G	98.5	Very high	98	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	82.1	6.1	-174.9	0	0	0	0	0	115.1	F133 Y149 P151 V152	F133-G208 WeakPolarHBondContact CB-O 3.47Å; F133-G208 PolarHBondContact N-O 3.37Å; F133-G208 VanDerWaalsContact O-CA 3.3Å; F133-G208 WeakPolarHBondContact O-CA 3.16Å; Y149-G208 VanDerWaalsContact OH-CA 3.29Å; Y149-G208 WeakPolarHBondContact OH-CA 3.28Å; Y149-G208 PolarHBondContact OH-N 3.38Å; P151-G208 WeakPolarHBondContact CA-O 3.32Å; V152-G208 PolarHBondContact N-O 3.49Å
209	L	98.8	Very high	98.2	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	127.6	-174.4	-173.7	148.8	0	0	0	111.5	Y125 I130 R132 V152 H154 T207 T328 D329	Y125-L209 HydrophobicContact CD2-CD1 3.69Å; Y125-L209 HydrophobicContact CD2-CD2 4.33Å; Y125-L209 HydrophobicContact CE2-CD2 4.38Å; Y125-L209 HydrophobicContact CG-CD1 3.97Å; I130-L209 HydrophobicContact CG2-CD1 3.93Å; R132-L209 HydrophobicContact CG-CB 4.27Å; R132-L209 HydrophobicContact CG-CD1 4.2Å; V152-L209 CarbonylContact O-C 3.57Å; V152-L209 VanDerWaalsContact O-CA 3.25Å; V152-L209 WeakPolarHBondContact O-CA 3.38Å; H154-L209 HydrophobicContact CB-CD1 4.08Å; H154-L209 HydrophobicContact CB-CD2 4.18Å; H154-L209 HydrophobicContact CB-CG 4.23Å; T207-L209 VanDerWaalsContact C-N 3.35Å; T207-L209 PolarHBondContact OG1-N 3.41Å; T207-L209 PolarHBondContact OG1-O 2.95Å; L209-T328 HydrophobicContact CD2-CG2 3.48Å; L209-T328 VanDerWaalsContact CD2-CG2 3.48Å; L209-T328 WeakPolarHBondContact O-CB 3.45Å; L209-D329 WeakPolarHBondContact O-CB 3.38Å; L209-D329 VanDerWaalsContact O-CG 3.28Å; L209-D329 PolarHBondContact O-N 3.33Å
210	T	98.6	Very high	98.3	Very high	28 Å²	28	13.7 Å²	13.7	17%	0.172	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	166.1	177.3	55.1	0	0	0	0	112	P151 V152 N153 H154 D329 N330	P151-T210 HydrophobicContact CB-CG2 3.91Å; P151-T210 HydrophobicContact CG-CG2 3.51Å; V152-T210 PolarHBondContact O-N 3.22Å; N153-T210 WeakPolarHBondContact CA-O 3.16Å; N153-T210 PolarHBondContact ND2-O 3.16Å; N153-T210 PolarHBondContact ND2-OG1 3.39Å; H154-T210 PolarHBondContact N-O 3.16Å; T210-D329 HydrophobicContact CG2-CB 3.96Å; T210-N330 WeakPolarHBondContact CB-OD1 3.22Å
211	G	97.9	Very high	98.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	86.9	-162.1	-166.2	0	0	0	0	0	110.7	H154 T328 N330	H154-G211 CarbonylContact O-C 3.36Å; G211-T328 WeakPolarHBondContact O-CB 3.25Å; G211-T328 PolarHBondContact O-OG1 3.25Å; G211-N330 PolarHBondContact N-OD1 3.45Å
212	R	98.4	Very high	98.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-11.8	-173.5	-63.9	176.2	-82.7	164.9	-11	114.5	H154 T155 D167 D169 L214 L215 G216 W218 A331	H154-R212 PolarHBondContact O-N 2.78Å; T155-R212 HydrophobicContact CG2-CB 4.15Å; T155-R212 PolarHBondContact OG1-N 3.05Å; D167-R212 PolarHBondContact O-NH1 3.44Å; D167-R212 PolarHBondContact O-NH2 3.35Å; D169-R212 IonicContact OD1-CZ 3.53Å; D169-R212 IonicContact OD1-NH2 3.49Å; D169-R212 PolarHBondContact OD1-NH2 2.96Å; R212-L214 PolarHBondContact O-N 3.27Å; R212-L215 WeakPolarHBondContact CB-O 3.4Å; R212-L215 WeakPolarHBondContact O-CB 3.47Å; R212-L215 PolarHBondContact O-N 3.42Å; R212-G216 PolarHBondContact NH1-O 2.9Å; R212-W218 VanDerWaalsContact CD-CE2 3.5Å; R212-W218 HydrophobicContact CG-CD2 3.69Å; R212-W218 HydrophobicContact CG-CE3 3.7Å; R212-W218 HydrophobicContact CG-CG 4.28Å; R212-W218 HydrophobicContact CG-CH2 4.08Å; R212-W218 HydrophobicContact CG-CZ2 4.07Å; R212-W218 HydrophobicContact CG-CZ3 3.91Å; R212-W218 VanDerWaalsContact NE-CE2 3.31Å; R212-A331 HydrophobicContact CB-CB 4.2Å; R212-A331 HydrophobicContact CG-CB 4.2Å
213	G	98.3	Very high	98.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.6	-126.3	-170.6	0	0	0	0	0	111.4	Y125 H154 A156 V159	Y125-G213 WeakPolarHBondContact OH-CA 3.21Å; H154-G213 PolarHBondContact O-N 3.27Å; A156-G213 WeakPolarHBondContact CB-O 3.36Å; A156-G213 PolarHBondContact N-O 2.84Å; V159-G213 WeakPolarHBondContact CG2-O 3.43Å
214	L	97.6	Very high	98.3	Very high	33 Å²	33	12.3 Å²	12.3	17%	0.173	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-11.3	175.7	-77.7	161.9	0	0	0	114.3	Y125 P126 Q127 A156 V158 V159 R212	Y125-L214 HydrophobicContact CE1-CB 4.3Å; Y125-L214 HydrophobicContact CE1-CD1 4.04Å; Y125-L214 HydrophobicContact CE1-CG 3.98Å; Y125-L214 PolarHBondContact OH-N 3.1Å; P126-L214 HydrophobicContact CB-CD1 4.06Å; Q127-L214 HydrophobicContact CB-CD1 4.21Å; Q127-L214 HydrophobicContact CG-CD1 4.19Å; A156-L214 HydrophobicContact CB-CD2 3.8Å; A156-L214 HydrophobicContact CB-CG 4.16Å; V158-L214 HydrophobicContact CG1-CD2 4.13Å; V159-L214 WeakPolarHBondContact CG2-O 3.45Å; R212-L214 PolarHBondContact O-N 3.27Å
215	L	98.4	Very high	98.3	Very high	6 Å²	6	8.6 Å²	8.6	3%	0.031	4%	0.044	C	C	.	.			trans	-78.1	141.6	-174.3	-60.1	-179.1	0	0	0	111.7	V159 R212 R326 A331 M333	V159-L215 WeakPolarHBondContact CG1-O 3.47Å; R212-L215 WeakPolarHBondContact CB-O 3.4Å; R212-L215 WeakPolarHBondContact O-CB 3.47Å; R212-L215 PolarHBondContact O-N 3.42Å; L215-R326 HydrophobicContact CD2-CB 3.95Å; L215-R326 HydrophobicContact CG-CB 4.2Å; L215-A331 HydrophobicContact CB-CB 3.91Å; L215-A331 HydrophobicContact CD1-CB 3.82Å; L215-A331 HydrophobicContact CG-CB 4.46Å; L215-M333 HydrophobicContact CD2-CG 4.34Å; L215-M333 HydrophobicContact CD2-SD 3.57Å; L215-M333 VanDerWaalsContact CD2-SD 3.57Å
216	G	97.8	Very high	98.2	Very high	5 Å²	5	8.5 Å²	8.5	5%	0.052	4%	0.044	C	C	.	.	S	Bend	trans	-75	-45.7	-175.5	0	0	0	0	0	113.1	A166 D167 R212 N221	A166-G216 WeakPolarHBondContact CA-O 3.4Å; D167-G216 PolarHBondContact N-O 2.81Å; R212-G216 PolarHBondContact NH1-O 2.9Å; G216-N221 PolarHBondContact N-OD1 3.2Å
217	R	98.3	Very high	98.2	Very high	34 Å²	34	7.9 Å²	7.9	13%	0.128	4%	0.041	C	C	.	.	S	Bend	trans	-96.3	146.3	-172	-53.1	-58.1	177.5	-163.1	-8.6	112.1	V164 W165 D167 V184 N221 A331	V164-R217 PolarHBondContact O-NH2 3.13Å; V164-R217 VanDerWaalsContact O-NH2 3.1Å; W165-R217 VanDerWaalsContact C-NH2 3.34Å; W165-R217 PolarHBondContact O-NE 2.85Å; W165-R217 PolarHBondContact O-NH2 2.81Å; D167-R217 WeakPolarHBondContact OD1-CD 3.01Å; D167-R217 IonicContact OD1-CZ 3.37Å; D167-R217 IonicContact OD1-NE 3.56Å; D167-R217 IonicContact OD1-NH1 2.9Å; D167-R217 PolarHBondContact OD1-NH1 3.46Å; D167-R217 VanDerWaalsContact OD2-CA 3.29Å; D167-R217 WeakPolarHBondContact OD2-CA 3.18Å; V184-R217 HydrophobicContact CG1-CG 4.3Å; R217-N221 PolarHBondContact N-OD1 3.46Å; R217-N221 PolarHBondContact O-ND2 3.38Å; R217-A331 WeakPolarHBondContact O-CB 3.26Å
218	W	98.6	Very high	98.2	Very high	9 Å²	9	7.8 Å²	7.8	3%	0.034	4%	0.041	C	C	.	.	S	Bend	trans	-73.2	127.4	162.4	-64.2	96.6	0	0	0	109.2	D167 P168 I170 F177 K199 P200 R212 N330	D167-W218 PolarHBondContact OD2-N 3.18Å; P168-W218 PolarHBondContact O-NE1 3.1Å; I170-W218 HydrophobicContact CD1-CD2 4.19Å; I170-W218 HydrophobicContact CD1-CG 3.95Å; I170-W218 HydrophobicContact CG1-CD2 3.89Å; I170-W218 HydrophobicContact CG1-CE3 4.39Å; I170-W218 HydrophobicContact CG1-CG 4.2Å; I170-W218 HydrophobicContact CG1-CZ2 4.12Å; F177-W218 HydrophobicContact CE1-CB 3.77Å; F177-W218 HydrophobicContact CZ-CB 3.96Å; K199-W218 HydrophobicContact CD-CZ3 4.21Å; K199-W218 HydrophobicContact CG-CE3 4.43Å; K199-W218 HydrophobicContact CG-CZ3 4.17Å; P200-W218 HydrophobicContact CG-CB 4.23Å; R212-W218 VanDerWaalsContact CD-CE2 3.5Å; R212-W218 HydrophobicContact CG-CD2 3.69Å; R212-W218 HydrophobicContact CG-CE3 3.7Å; R212-W218 HydrophobicContact CG-CG 4.28Å; R212-W218 HydrophobicContact CG-CH2 4.08Å; R212-W218 HydrophobicContact CG-CZ2 4.07Å; R212-W218 HydrophobicContact CG-CZ3 3.91Å; R212-W218 VanDerWaalsContact NE-CE2 3.31Å; W218-N330 HydrophobicContact CE3-CB 3.81Å; W218-N330 HydrophobicContact CZ3-CB 3.77Å
219	G	98.6	Very high	98.2	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.7	-141.3	-177.5	0	0	0	0	0	112.8	P200 N221 N330 A331 W332	P200-G219 VanDerWaalsContact CG-N 3.32Å; G219-N221 PolarHBondContact O-ND2 2.79Å; G219-N330 PolarHBondContact N-O 3.43Å; G219-A331 CarbonylContact O-C 3.48Å; G219-A331 VanDerWaalsContact O-CA 3.29Å; G219-A331 WeakPolarHBondContact O-CA 3.49Å; G219-W332 PolarHBondContact O-N 3.22Å
220	P	98.6	Very high	98.1	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.013	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	139.9	179.4	28.9	-33.1	0	0	0	111.1	S187 Y193 W332 E334	S187-P220 VanDerWaalsContact O-CG 3.31Å; S187-P220 WeakPolarHBondContact O-CG 3.45Å; Y193-P220 HydrophobicContact CE1-CG 4.1Å; P220-W332 CarbonylContact C-O 3.55Å; P220-W332 HydrophobicContact CB-CZ2 4.36Å; P220-W332 HydrophobicContact CG-CZ2 4.48Å; P220-E334 HydrophobicContact CB-CG 4.05Å
221	N	98.7	Very high	98.1	Very high	7 Å²	7	10.1 Å²	10.1	4%	0.037	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	102.7	171.9	-73	-109.6	0	0	0	106.1	G216 R217 G219 M269 W332 M333 E334	G216-N221 PolarHBondContact N-OD1 3.2Å; R217-N221 PolarHBondContact N-OD1 3.46Å; R217-N221 PolarHBondContact O-ND2 3.38Å; G219-N221 PolarHBondContact O-ND2 2.79Å; N221-M269 HydrophobicContact CB-CE 4.01Å; N221-W332 PolarHBondContact N-O 2.81Å; N221-M333 HydrophobicContact CB-SD 4.23Å; N221-E334 PolarHBondContact O-N 2.79Å; N221-E334 VanDerWaalsContact O-N 3.1Å
222	H	98.3	Very high	98.1	Very high	23 Å²	23	13 Å²	13	11%	0.106	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	133.4	-170.8	-59.3	-69	0	0	0	112.4	S187 F189 M269 V270 E334	S187-H222 PolarHBondContact O-CE1 3.22Å; S187-H222 PolarHBondContact O-NE2 3.47Å; S187-H222 VanDerWaalsContact O-NE2 3.16Å; F189-H222 AromaticContact CE1-CE1 3.8Å; F189-H222 AromaticContact CE1-ND1 3.86Å; F189-H222 AromaticContact CE2-ND1 3.61Å; F189-H222 AromaticContact CZ-CE1 3.79Å; F189-H222 AromaticContact CZ-ND1 3.35Å; F189-H222 WeakPolarHBondContact CZ-ND1 3.33Å; H222-M269 WeakPolarHBondContact O-CE 3.43Å; H222-V270 HydrophobicContact CB-CB 4.29Å; H222-V270 HydrophobicContact CB-CG2 4.11Å; H222-V270 PolarHBondContact O-N 2.9Å; H222-E334 CarbonylContact C-O 3.57Å; H222-E334 WeakPolarHBondContact CA-O 3.35Å; H222-E334 IonicContact CE1-OE2 3.79Å
223	A	97.6	Very high	98	Very high	7 Å²	7	16.6 Å²	16.6	6%	0.058	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	171.3	171.7	0	0	0	0	0	111.2	G268 M269 M333 E334 T335 V336	A223-G268 CarbonylContact C-O 3.48Å; A223-G268 WeakPolarHBondContact CA-O 3.45Å; A223-G268 WeakPolarHBondContact CB-O 3.3Å; A223-M269 HydrophobicContact CB-SD 4.48Å; A223-M333 HydrophobicContact CB-CE 3.74Å; A223-E334 PolarHBondContact N-O 3.09Å; A223-T335 WeakPolarHBondContact O-CA 3.38Å; A223-T335 PolarHBondContact O-OG1 3.18Å; A223-V336 PolarHBondContact O-N 3.02Å; A223-V336 VanDerWaalsContact O-N 3.16Å
224	A	97.8	Very high	97.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	131.6	169.9	0	0	0	0	0	111.5	P226 G267 G268 V270 V276 T279 L280 V336	A224-P226 WeakPolarHBondContact O-CD 3.43Å; A224-G267 VanDerWaalsContact O-CA 3.3Å; A224-G267 WeakPolarHBondContact O-CA 3.32Å; A224-G268 PolarHBondContact N-O 3.07Å; A224-G268 PolarHBondContact O-N 2.85Å; A224-V270 HydrophobicContact CB-CG2 4.37Å; A224-V276 HydrophobicContact CB-CG1 3.99Å; A224-T279 HydrophobicContact CB-CG2 3.71Å; A224-L280 HydrophobicContact CB-CD2 3.77Å; A224-L280 HydrophobicContact CB-CG 3.84Å; A224-V336 WeakPolarHBondContact CA-O 3.5Å
225	D	97.5	Very high	97.8	Very high	9 Å²	9	24.1 Å²	24.1	5%	0.048	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	100	-171.7	-73.3	-67.5	0	0	0	111.4	V227 I265 L280 T335 V336 V337 V338	D225-V227 PolarHBondContact O-N 2.91Å; D225-I265 HydrophobicContact CB-CG2 4.1Å; D225-L280 VanDerWaalsContact C-CD2 3.46Å; D225-T335 WeakPolarHBondContact OD2-CB 3.3Å; D225-T335 WeakPolarHBondContact OD2-CG2 3.3Å; D225-T335 PolarHBondContact OD2-OG1 2.96Å; D225-V336 PolarHBondContact N-O 2.84Å; D225-V337 HydrophobicContact CB-CB 4.22Å; D225-V337 HydrophobicContact CB-CG1 3.96Å; D225-V337 HydrophobicContact CB-CG2 4.03Å; D225-V337 WeakPolarHBondContact O-CA 3.16Å; D225-V338 PolarHBondContact O-N 3.37Å
226	P	97.4	Very high	97.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	94.4	179.6	33.2	-33.9	0	0	0	111.1	A224 V228 P266 L280 F284 F310	A224-P226 WeakPolarHBondContact O-CD 3.43Å; P226-V228 VanDerWaalsContact C-N 3.29Å; P226-V228 PolarHBondContact O-N 2.92Å; P226-P266 WeakPolarHBondContact CD-O 3.41Å; P226-P266 WeakPolarHBondContact CG-O 3.4Å; P226-L280 HydrophobicContact CB-CB 4.28Å; P226-L280 HydrophobicContact CB-CD2 3.88Å; P226-L280 WeakPolarHBondContact CB-O 3.37Å; P226-L280 HydrophobicContact CG-CD2 4.45Å; P226-L280 WeakPolarHBondContact CG-O 3.35Å; P226-F284 HydrophobicContact CB-CB 4.31Å; P226-F284 HydrophobicContact CG-CB 3.88Å; P226-F284 HydrophobicContact CG-CD2 4.47Å; P226-F310 HydrophobicContact CB-CE1 4Å; P226-F310 HydrophobicContact CB-CZ 4.16Å
227	V	98.1	Very high	97.4	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	79.8	176.3	-176.1	0	0	0	0	109.4	D225 T229 I265 V337 V338 N339 F340 L381 V384	D225-V227 PolarHBondContact O-N 2.91Å; V227-T229 HydrophobicContact CG1-CG2 3.86Å; V227-T229 PolarHBondContact O-N 2.77Å; V227-I265 HydrophobicContact CG2-CD1 3.68Å; V227-I265 HydrophobicContact CG2-CG1 4.12Å; V227-I265 HydrophobicContact CG2-CG2 4.02Å; V227-V337 HydrophobicContact CG2-CG1 3.51Å; V227-V338 PolarHBondContact N-O 3.29Å; V227-N339 HydrophobicContact CB-CB 4.3Å; V227-N339 VanDerWaalsContact O-CA 3.29Å; V227-N339 WeakPolarHBondContact O-CA 3.32Å; V227-N339 PolarHBondContact O-ND2 2.96Å; V227-F340 PolarHBondContact O-N 2.95Å; V227-L381 HydrophobicContact CG1-CD2 3.74Å; V227-V384 HydrophobicContact CG1-CG2 4.15Å
228	V	97.9	Very high	97.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	121.6	175	171.8	0	0	0	0	110	P226 F252 V253 F284 L309 F310 F340 V348 W364	P226-V228 VanDerWaalsContact C-N 3.29Å; P226-V228 PolarHBondContact O-N 2.92Å; V228-F252 WeakPolarHBondContact O-CA 3.11Å; V228-V253 HydrophobicContact CB-CG2 4.25Å; V228-V253 HydrophobicContact CG1-CG2 4.02Å; V228-V253 PolarHBondContact O-N 3.05Å; V228-F284 HydrophobicContact CB-CD2 4.16Å; V228-F284 HydrophobicContact CB-CE2 3.59Å; V228-F284 HydrophobicContact CB-CZ 4Å; V228-F284 HydrophobicContact CG1-CE2 4.07Å; V228-F284 HydrophobicContact CG1-CZ 3.95Å; V228-F284 HydrophobicContact CG2-CD1 4.39Å; V228-F284 HydrophobicContact CG2-CD2 3.56Å; V228-F284 HydrophobicContact CG2-CE1 4.29Å; V228-F284 HydrophobicContact CG2-CE2 3.45Å; V228-F284 VanDerWaalsContact CG2-CE2 3.45Å; V228-F284 HydrophobicContact CG2-CG 4.07Å; V228-F284 HydrophobicContact CG2-CZ 3.86Å; V228-L309 HydrophobicContact CB-CD2 4.37Å; V228-L309 HydrophobicContact CG1-CD2 3.65Å; V228-L309 HydrophobicContact CG2-CD2 3.87Å; V228-F310 HydrophobicContact CG2-CE2 4.24Å; V228-F310 HydrophobicContact CG2-CZ 3.87Å; V228-F340 WeakPolarHBondContact CA-O 3.14Å; V228-V348 HydrophobicContact CG1-CG1 4.21Å; V228-W364 HydrophobicContact CG1-CH2 3.93Å
229	T	98.2	Very high	97.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	154.8	-178.3	63.4	0	0	0	0	114.1	V227 L250 Q251 F252 N339 F340 H341 D342 V384	V227-T229 HydrophobicContact CG1-CG2 3.86Å; V227-T229 PolarHBondContact O-N 2.77Å; T229-L250 HydrophobicContact CG2-CD2 4Å; T229-L250 HydrophobicContact CG2-CG 4.32Å; T229-Q251 CarbonylContact C-O 3.43Å; T229-Q251 WeakPolarHBondContact CA-O 3.35Å; T229-Q251 WeakPolarHBondContact CB-O 3.25Å; T229-F252 HydrophobicContact CG2-CB 3.8Å; T229-N339 WeakPolarHBondContact CG2-ND2 3.45Å; T229-N339 PolarHBondContact OG1-ND2 3.36Å; T229-F340 PolarHBondContact N-O 2.78Å; T229-H341 WeakPolarHBondContact O-CA 3.46Å; T229-H341 PolarHBondContact O-ND1 2.88Å; T229-H341 VanDerWaalsContact O-ND1 3.13Å; T229-H341 PolarHBondContact OG1-ND1 3.13Å; T229-D342 PolarHBondContact O-N 2.85Å; T229-V384 HydrophobicContact CG2-CG1 4.19Å
230	R	97.8	Very high	97.3	Very high	57 Å²	57	37 Å²	37	22%	0.215	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	166.1	172.9	73.6	-178.6	-175.3	-179.2	1.8	110.7	L250 Q251 D342 S349 W364	R230-L250 WeakPolarHBondContact O-CD1 3.38Å; R230-Q251 HydrophobicContact CG-CB 4.11Å; R230-Q251 PolarHBondContact N-O 3.15Å; R230-Q251 PolarHBondContact O-N 3.11Å; R230-D342 HydrophobicContact CB-CB 4.28Å; R230-S349 VanDerWaalsContact CB-OG 3.26Å; R230-S349 WeakPolarHBondContact CB-OG 3.43Å; R230-S349 WeakPolarHBondContact CD-OG 3.49Å; R230-S349 PolarHBondContact NH1-O 2.88Å; R230-W364 HydrophobicContact CB-CH2 3.98Å; R230-W364 HydrophobicContact CB-CZ3 4.02Å; R230-W364 HydrophobicContact CG-CD2 4.32Å; R230-W364 HydrophobicContact CG-CE3 3.83Å; R230-W364 HydrophobicContact CG-CH2 3.82Å; R230-W364 HydrophobicContact CG-CZ2 4.33Å; R230-W364 HydrophobicContact CG-CZ3 3.56Å
231	W	98.2	Very high	97.3	Very high	20 Å²	20	42.1 Å²	42.1	8%	0.076	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	141	169.6	-67.4	109.4	0	0	0	112.1	V233 K239 P248 L250 H341 E343 R388 A390	W231-V233 HydrophobicContact CB-CG1 4.4Å; W231-V233 PolarHBondContact O-N 3.14Å; W231-K239 HydrophobicContact CB-CD 4.17Å; W231-K239 HydrophobicContact CB-CG 4.11Å; W231-K239 HydrophobicContact CD2-CD 3.86Å; W231-K239 HydrophobicContact CE3-CD 4.37Å; W231-K239 HydrophobicContact CG-CD 3.73Å; W231-K239 HydrophobicContact CG-CG 4.22Å; W231-P248 HydrophobicContact CE3-CB 3.79Å; W231-P248 HydrophobicContact CE3-CG 4.19Å; W231-P248 HydrophobicContact CH2-CB 4.33Å; W231-P248 HydrophobicContact CH2-CG 3.81Å; W231-P248 HydrophobicContact CZ3-CB 3.56Å; W231-P248 HydrophobicContact CZ3-CG 3.5Å; W231-L250 HydrophobicContact CD2-CD1 4.15Å; W231-L250 HydrophobicContact CE3-CB 4.46Å; W231-L250 HydrophobicContact CE3-CD1 3.91Å; W231-L250 HydrophobicContact CH2-CD1 4.08Å; W231-L250 HydrophobicContact CZ2-CD1 4.3Å; W231-L250 HydrophobicContact CZ3-CB 4.12Å; W231-L250 HydrophobicContact CZ3-CD1 3.86Å; W231-H341 AromaticContact CD1-CE1 3.88Å; W231-H341 AromaticContact CD1-NE2 3.55Å; W231-H341 AromaticContact CE2-CE1 3.89Å; W231-H341 AromaticContact CE2-NE2 3.57Å; W231-H341 AromaticContact NE1-CE1 3.57Å; W231-H341 AromaticContact NE1-NE2 2.96Å; W231-H341 PolarHBondContact NE1-NE2 3.48Å; W231-E343 VanDerWaalsContact NE1-CD 3.33Å; W231-E343 PolarHBondContact NE1-OE1 2.71Å; W231-E343 PolarHBondContact NE1-OE2 3.21Å; W231-R388 HydrophobicContact CH2-CB 4.11Å; W231-R388 WeakPolarHBondContact CH2-O 3.42Å; W231-R388 HydrophobicContact CZ2-CB 4.35Å; W231-A390 HydrophobicContact CH2-CB 4.15Å; W231-A390 HydrophobicContact CZ3-CB 3.98Å
232	K	97.9	Very high	97.3	Very high	59 Å²	59	44 Å²	44	26%	0.257	26%	0.263	S	S	.	.			trans	-75.7	121.2	165.7	-161.7	178.6	-173.8	154.1	0	108.7	K239 I240 I249 Q251 D366	K232-K239 WeakPolarHBondContact O-CA 3.43Å; K232-I240 HydrophobicContact CD-CD1 4.5Å; K232-I240 HydrophobicContact CG-CD1 4.26Å; K232-I240 PolarHBondContact O-N 3.08Å; K232-I249 HydrophobicContact CB-CB 3.96Å; K232-I249 HydrophobicContact CB-CG2 3.96Å; K232-I249 WeakPolarHBondContact CB-O 3.37Å; K232-I249 HydrophobicContact CD-CB 4.25Å; K232-I249 HydrophobicContact CD-CD1 4.39Å; K232-I249 HydrophobicContact CD-CG2 3.84Å; K232-I249 PolarHBondContact N-O 2.79Å; K232-Q251 HydrophobicContact CB-CG 3.88Å; K232-Q251 HydrophobicContact CG-CG 4.17Å; K232-D366 WeakPolarHBondContact CD-OD1 3.43Å; K232-D366 IonicContact NZ-OD1 2.85Å; K232-D366 PolarHBondContact NZ-OD1 3.19Å; K232-D366 IonicContact NZ-OD2 3.29Å; K232-D366 PolarHBondContact NZ-OD2 3.1Å
233	V	97.2	Very high	97.2	Very high	77 Å²	77	47.1 Å²	47.1	47%	0.467	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-118.5	156.1	-178.8	-63.6	0	0	0	0	112.1	W231 G237 A238 I240	W231-V233 HydrophobicContact CB-CG1 4.4Å; W231-V233 PolarHBondContact O-N 3.14Å; V233-G237 WeakPolarHBondContact CG1-O 3.02Å; V233-A238 CarbonylContact C-O 3.51Å; V233-A238 VanDerWaalsContact CA-O 3.22Å; V233-A238 WeakPolarHBondContact CA-O 3.29Å; V233-I240 WeakPolarHBondContact O-CD1 3.44Å
234	D	96.4	Very high	97.1	Very high	72 Å²	72	50.5 Å²	50.5	39%	0.385	31%	0.314	S	S	.	.			trans	-86.8	-176.6	169.8	70	25.7	0	0	0	112.2	S236 G237 A238 I240	D234-S236 PolarHBondContact O-N 3.5Å; D234-S236 VanDerWaalsContact O-N 3.1Å; D234-S236 WeakPolarHBondContact OD1-CA 3.06Å; D234-S236 WeakPolarHBondContact OD1-CB 3.14Å; D234-S236 PolarHBondContact OD1-N 2.83Å; D234-S236 PolarHBondContact OD1-OG 3.28Å; D234-G237 PolarHBondContact O-N 3.27Å; D234-G237 PolarHBondContact OD1-N 2.9Å; D234-A238 PolarHBondContact N-O 2.93Å; D234-A238 PolarHBondContact OD1-N 3.39Å; D234-I240 HydrophobicContact CB-CD1 4.11Å; D234-I240 HydrophobicContact CB-CG1 4.01Å
235	A	95	Very high	97.1	Very high	118 Å²	118	52.5 Å²	52.5	98%	0.975	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-7.7	-179.2	0	0	0	0	0	114.8
236	S	95.2	Very high	97.1	Very high	99 Å²	99	59.5 Å²	59.5	69%	0.692	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-4.7	171.8	75.3	0	0	0	0	113.4	D234 A238	D234-S236 PolarHBondContact O-N 3.5Å; D234-S236 VanDerWaalsContact O-N 3.1Å; D234-S236 WeakPolarHBondContact OD1-CA 3.06Å; D234-S236 WeakPolarHBondContact OD1-CB 3.14Å; D234-S236 PolarHBondContact OD1-N 2.83Å; D234-S236 PolarHBondContact OD1-OG 3.28Å; S236-A238 VanDerWaalsContact C-N 3.34Å
237	G	93.3	Very high	97.1	Very high	49 Å²	49	64 Å²	64	51%	0.505	38%	0.378	S	S	.	.	S	Bend	trans	84	3.4	-172	0	0	0	0	0	114.1	V233 D234	V233-G237 WeakPolarHBondContact CG1-O 3.02Å; D234-G237 PolarHBondContact O-N 3.27Å; D234-G237 PolarHBondContact OD1-N 2.9Å
238	A	96.4	Very high	97.1	Very high	46 Å²	46	65 Å²	65	38%	0.38	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-77	139.4	178.7	0	0	0	0	0	111.3	V233 D234 S236 I240	V233-A238 CarbonylContact C-O 3.51Å; V233-A238 VanDerWaalsContact CA-O 3.22Å; V233-A238 WeakPolarHBondContact CA-O 3.29Å; D234-A238 PolarHBondContact N-O 2.93Å; D234-A238 PolarHBondContact OD1-N 3.39Å; S236-A238 VanDerWaalsContact C-N 3.34Å; A238-I240 PolarHBondContact O-N 2.86Å
239	K	97.9	Very high	97.2	Very high	71 Å²	71	65.8 Å²	65.8	31%	0.309	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-65.1	122.1	-179	-60.2	-174	-175.9	-173.3	0	110.6	W231 K232 H241 P248 E343	W231-K239 HydrophobicContact CB-CD 4.17Å; W231-K239 HydrophobicContact CB-CG 4.11Å; W231-K239 HydrophobicContact CD2-CD 3.86Å; W231-K239 HydrophobicContact CE3-CD 4.37Å; W231-K239 HydrophobicContact CG-CD 3.73Å; W231-K239 HydrophobicContact CG-CG 4.22Å; K232-K239 WeakPolarHBondContact O-CA 3.43Å; K239-H241 PolarHBondContact O-CE1 3.48Å; K239-H241 PolarHBondContact O-N 3.11Å; K239-H241 PolarHBondContact O-ND1 3.21Å; K239-P248 HydrophobicContact CB-CB 4.27Å; K239-P248 HydrophobicContact CD-CB 4.46Å; K239-E343 IonicContact NZ-OE1 2.92Å; K239-E343 PolarHBondContact NZ-OE1 2.83Å; K239-E343 IonicContact NZ-OE2 3.77Å
240	I	98.3	Very high	97.2	Very high	59 Å²	59	65.8 Å²	65.8	30%	0.303	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-73.9	128.6	176.7	-61.2	174	0	0	0	108.8	K232 V233 D234 A238 P248 I249	K232-I240 HydrophobicContact CD-CD1 4.5Å; K232-I240 HydrophobicContact CG-CD1 4.26Å; K232-I240 PolarHBondContact O-N 3.08Å; V233-I240 WeakPolarHBondContact O-CD1 3.44Å; D234-I240 HydrophobicContact CB-CD1 4.11Å; D234-I240 HydrophobicContact CB-CG1 4.01Å; A238-I240 PolarHBondContact O-N 2.86Å; I240-P248 WeakPolarHBondContact O-CA 3.43Å; I240-I249 HydrophobicContact CG2-CD1 4.1Å; I240-I249 PolarHBondContact O-N 2.85Å
241	H	98.3	Very high	97.2	Very high	110 Å²	110	63.9 Å²	63.9	51%	0.509	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-101.3	139.6	179.4	-69	62.1	0	0	0	111.1	K239 K246 K247	K239-H241 PolarHBondContact O-CE1 3.48Å; K239-H241 PolarHBondContact O-N 3.11Å; K239-H241 PolarHBondContact O-ND1 3.21Å; H241-K246 PolarHBondContact CD2-O 3.34Å; H241-K247 CarbonylContact C-O 3.54Å; H241-K247 VanDerWaalsContact CA-O 3.28Å; H241-K247 WeakPolarHBondContact CA-O 3.44Å
242	H	98	Very high	97.2	Very high	48 Å²	48	63 Å²	63	22%	0.222	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-71	139.7	178.6	-175.5	-135.3	0	0	0	111.4	A244 K246 K247 I249 H391	H242-A244 VanDerWaalsContact C-N 3.35Å; H242-A244 PolarHBondContact O-N 2.88Å; H242-K246 WeakPolarHBondContact O-CA 3.47Å; H242-K246 PolarHBondContact O-N 2.93Å; H242-K247 PolarHBondContact N-O 3.26Å; H242-I249 HydrophobicContact CB-CD1 4.19Å; H242-I249 HydrophobicContact CB-CG1 3.88Å; H242-H391 HydrophobicContact CB-CB 3.88Å; H242-H391 AromaticContact CE1-CE1 3.61Å; H242-H391 AromaticContact CE1-ND1 3.87Å; H242-H391 AromaticContact CE1-NE2 3.99Å; H242-H391 AromaticContact CG-CD2 3.92Å; H242-H391 AromaticContact CG-CG 3.72Å; H242-H391 AromaticContact CG-ND1 3.74Å; H242-H391 AromaticContact ND1-CD2 3.69Å; H242-H391 AromaticContact ND1-CE1 3.46Å; H242-H391 PolarHBondContact ND1-CE1 2.9Å; H242-H391 AromaticContact ND1-CG 3.44Å; H242-H391 AromaticContact ND1-ND1 2.98Å; H242-H391 PolarHBondContact ND1-ND1 3.42Å
243	S	96.6	Very high	97.2	Very high	87 Å²	87	60.2 Å²	60.2	61%	0.608	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-34.6	-170.7	60.3	0	0	0	0	113.4	K246	S243-K246 WeakPolarHBondContact O-CE 3.46Å; S243-K246 PolarHBondContact O-NZ 3.45Å
244	A	96	Very high	97.2	Very high	78 Å²	78	56.6 Å²	56.6	65%	0.645	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-58.9	179.8	0	0	0	0	0	112.4	H242 K246	H242-A244 VanDerWaalsContact C-N 3.35Å; H242-A244 PolarHBondContact O-N 2.88Å; A244-K246 VanDerWaalsContact C-N 3.32Å; A244-K246 PolarHBondContact O-N 3.14Å
245	S	97	Very high	97.1	Very high	43 Å²	43	53.2 Å²	53.2	30%	0.301	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-13.4	-172.7	60.4	0	0	0	0	114.5	K247 H391	S245-K247 PolarHBondContact O-N 3.4Å; S245-K247 VanDerWaalsContact O-N 3.11Å; S245-H391 PolarHBondContact OG-ND1 3.34Å
246	K	97.8	Very high	97	Very high	156 Å²	156	51 Å²	51	68%	0.678	30%	0.295	S	S	*	.			trans	57.6	17	-176.4	-49.6	-54.5	-173.2	-170.9	0	114.7	H241 H242 S243 A244	H241-K246 PolarHBondContact CD2-O 3.34Å; H242-K246 WeakPolarHBondContact O-CA 3.47Å; H242-K246 PolarHBondContact O-N 2.93Å; S243-K246 WeakPolarHBondContact O-CE 3.46Å; S243-K246 PolarHBondContact O-NZ 3.45Å; A244-K246 VanDerWaalsContact C-N 3.32Å; A244-K246 PolarHBondContact O-N 3.14Å
247	K	98.3	Very high	96.7	Very high	93 Å²	93	48.7 Å²	48.7	40%	0.404	27%	0.271	S	S	.	.	S	Bend	trans	-99.7	155.8	176.3	-68.8	-176.9	179.8	-172.1	0	111.3	H241 H242 S245 Q389 A390	H241-K247 CarbonylContact C-O 3.54Å; H241-K247 VanDerWaalsContact CA-O 3.28Å; H241-K247 WeakPolarHBondContact CA-O 3.44Å; H242-K247 PolarHBondContact N-O 3.26Å; S245-K247 PolarHBondContact O-N 3.4Å; S245-K247 VanDerWaalsContact O-N 3.11Å; K247-Q389 WeakPolarHBondContact CD-O 3.34Å; K247-A390 WeakPolarHBondContact CD-O 3.37Å; K247-A390 PolarHBondContact NZ-O 3.16Å
248	P	98.4	Very high	96.3	Very high	22 Å²	22	53.6 Å²	53.6	14%	0.143	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-62.1	144.2	173.8	27.8	-36.1	0	0	0	111.5	W231 K239 I240 A390 H391	W231-P248 HydrophobicContact CE3-CB 3.79Å; W231-P248 HydrophobicContact CE3-CG 4.19Å; W231-P248 HydrophobicContact CH2-CB 4.33Å; W231-P248 HydrophobicContact CH2-CG 3.81Å; W231-P248 HydrophobicContact CZ3-CB 3.56Å; W231-P248 HydrophobicContact CZ3-CG 3.5Å; K239-P248 HydrophobicContact CB-CB 4.27Å; K239-P248 HydrophobicContact CD-CB 4.46Å; I240-P248 WeakPolarHBondContact O-CA 3.43Å; P248-A390 WeakPolarHBondContact O-CA 3.46Å; P248-H391 PolarHBondContact O-N 3.29Å
249	I	98.6	Very high	95.5	Very high	17 Å²	17	55.3 Å²	55.3	9%	0.087	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-83.1	121.5	175.7	-60.2	175.7	0	0	0	108.6	K232 I240 H242 D366	K232-I249 HydrophobicContact CB-CB 3.96Å; K232-I249 HydrophobicContact CB-CG2 3.96Å; K232-I249 WeakPolarHBondContact CB-O 3.37Å; K232-I249 HydrophobicContact CD-CB 4.25Å; K232-I249 HydrophobicContact CD-CD1 4.39Å; K232-I249 HydrophobicContact CD-CG2 3.84Å; K232-I249 PolarHBondContact N-O 2.79Å; I240-I249 HydrophobicContact CG2-CD1 4.1Å; I240-I249 PolarHBondContact O-N 2.85Å; H242-I249 HydrophobicContact CB-CD1 4.19Å; H242-I249 HydrophobicContact CB-CG1 3.88Å; I249-D366 HydrophobicContact CG2-CB 4.06Å
250	L	98.4	Very high	94.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	147	170.2	-165.8	70.9	0	0	0	108.9	T229 R230 W231 V367 V384 R388 A390	T229-L250 HydrophobicContact CG2-CD2 4Å; T229-L250 HydrophobicContact CG2-CG 4.32Å; R230-L250 WeakPolarHBondContact O-CD1 3.38Å; W231-L250 HydrophobicContact CD2-CD1 4.15Å; W231-L250 HydrophobicContact CE3-CB 4.46Å; W231-L250 HydrophobicContact CE3-CD1 3.91Å; W231-L250 HydrophobicContact CH2-CD1 4.08Å; W231-L250 HydrophobicContact CZ2-CD1 4.3Å; W231-L250 HydrophobicContact CZ3-CB 4.12Å; W231-L250 HydrophobicContact CZ3-CD1 3.86Å; L250-V367 HydrophobicContact CB-CB 4.24Å; L250-V367 HydrophobicContact CB-CG2 4.13Å; L250-V367 HydrophobicContact CD2-CG2 4.25Å; L250-V367 HydrophobicContact CG-CG2 4.27Å; L250-V367 PolarHBondContact O-N 3.32Å; L250-V384 HydrophobicContact CD2-CG1 3.8Å; L250-R388 HydrophobicContact CD2-CB 4.24Å; L250-R388 HydrophobicContact CD2-CG 4.13Å; L250-A390 HydrophobicContact CB-CB 3.73Å; L250-A390 HydrophobicContact CD2-CB 4.46Å
251	Q	98.4	Very high	94.3	Very high	18 Å²	18	53.4 Å²	53.4	8%	0.084	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	148.4	166.1	-56.1	-163.5	-54.7	0	0	110.1	T229 R230 K232 W364 V365 D366	T229-Q251 CarbonylContact C-O 3.43Å; T229-Q251 WeakPolarHBondContact CA-O 3.35Å; T229-Q251 WeakPolarHBondContact CB-O 3.25Å; R230-Q251 HydrophobicContact CG-CB 4.11Å; R230-Q251 PolarHBondContact N-O 3.15Å; R230-Q251 PolarHBondContact O-N 3.11Å; K232-Q251 HydrophobicContact CB-CG 3.88Å; K232-Q251 HydrophobicContact CG-CG 4.17Å; Q251-W364 HydrophobicContact CB-CE3 3.89Å; Q251-V365 CarbonylContact C-O 3.51Å; Q251-V365 WeakPolarHBondContact CA-O 3.19Å; Q251-V365 WeakPolarHBondContact CB-O 3.38Å; Q251-D366 PolarHBondContact NE2-OD1 2.53Å
252	F	98.2	Very high	94	Very high	1 Å²	1	52.3 Å²	52.3	0%	0.004	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	158	171	79.7	-72.1	0	0	0	110.9	V228 T229 A254 W364 V365 V367 F371 L373 L381	V228-F252 WeakPolarHBondContact O-CA 3.11Å; T229-F252 HydrophobicContact CG2-CB 3.8Å; F252-A254 HydrophobicContact CD2-CB 4.26Å; F252-A254 HydrophobicContact CE2-CB 3.52Å; F252-A254 HydrophobicContact CZ-CB 3.71Å; F252-W364 WeakPolarHBondContact O-CA 3.49Å; F252-V365 HydrophobicContact CD1-CB 4.05Å; F252-V365 WeakPolarHBondContact CD1-O 3.28Å; F252-V365 HydrophobicContact CE1-CB 3.59Å; F252-V365 HydrophobicContact CE1-CG1 3.74Å; F252-V365 HydrophobicContact CZ-CB 4.13Å; F252-V365 HydrophobicContact CZ-CG1 4.35Å; F252-V365 PolarHBondContact N-O 2.76Å; F252-V365 PolarHBondContact O-N 2.89Å; F252-V367 HydrophobicContact CB-CG2 4.1Å; F252-V367 HydrophobicContact CD1-CG2 3.67Å; F252-V367 HydrophobicContact CG-CG2 4.28Å; F252-F371 HydrophobicContact CE1-CD1 4.34Å; F252-F371 HydrophobicContact CZ-CD1 4.08Å; F252-F371 HydrophobicContact CZ-CE1 4.06Å; F252-L373 HydrophobicContact CE2-CD2 4.45Å; F252-L373 HydrophobicContact CZ-CD1 4.26Å; F252-L373 HydrophobicContact CZ-CD2 4.13Å; F252-L381 HydrophobicContact CB-CD2 4.31Å; F252-L381 HydrophobicContact CD1-CD1 3.78Å; F252-L381 HydrophobicContact CD1-CD2 4.42Å; F252-L381 HydrophobicContact CD2-CD1 4.12Å; F252-L381 HydrophobicContact CD2-CD2 4.06Å; F252-L381 HydrophobicContact CE1-CD1 3.48Å; F252-L381 VanDerWaalsContact CE1-CD1 3.48Å; F252-L381 HydrophobicContact CE2-CD1 3.86Å; F252-L381 HydrophobicContact CG-CD1 4.1Å; F252-L381 HydrophobicContact CG-CD2 4.02Å; F252-L381 HydrophobicContact CZ-CD1 3.53Å
253	V	97.5	Very high	93.8	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	123.5	170.7	-179.2	0	0	0	0	109.1	V228 P266 F284 A288 L353 V362 W364	V228-V253 HydrophobicContact CB-CG2 4.25Å; V228-V253 HydrophobicContact CG1-CG2 4.02Å; V228-V253 PolarHBondContact O-N 3.05Å; V253-P266 HydrophobicContact CG1-CG 4.33Å; V253-P266 VanDerWaalsContact O-CD 3.3Å; V253-P266 WeakPolarHBondContact O-CD 3.38Å; V253-F284 HydrophobicContact CB-CE2 3.9Å; V253-F284 HydrophobicContact CB-CZ 4.47Å; V253-F284 HydrophobicContact CG1-CE2 3.89Å; V253-F284 HydrophobicContact CG1-CZ 4.4Å; V253-F284 HydrophobicContact CG2-CE2 3.97Å; V253-F284 HydrophobicContact CG2-CZ 4.08Å; V253-A288 HydrophobicContact CG1-CB 3.84Å; V253-L353 HydrophobicContact CG1-CD1 4.09Å; V253-L353 HydrophobicContact CG1-CD2 4.13Å; V253-L353 HydrophobicContact CG2-CD1 4.27Å; V253-L353 HydrophobicContact CG2-CD2 4.2Å; V253-V362 HydrophobicContact CG1-CG2 3.8Å; V253-W364 HydrophobicContact CG2-CD2 3.95Å; V253-W364 HydrophobicContact CG2-CE3 3.8Å; V253-W364 HydrophobicContact CG2-CH2 3.54Å; V253-W364 HydrophobicContact CG2-CZ2 3.66Å; V253-W364 HydrophobicContact CG2-CZ3 3.6Å
254	A	96.3	Very high	93.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.2	176.4	0	0	0	0	0	110.8	F252 W263 A264 V362 Q363 V365	F252-A254 HydrophobicContact CD2-CB 4.26Å; F252-A254 HydrophobicContact CE2-CB 3.52Å; F252-A254 HydrophobicContact CZ-CB 3.71Å; A254-W263 HydrophobicContact CB-CE3 3.78Å; A254-W263 HydrophobicContact CB-CZ3 4.31Å; A254-A264 WeakPolarHBondContact CA-O 3.44Å; A254-V362 WeakPolarHBondContact O-CA 3.4Å; A254-V362 WeakPolarHBondContact O-CG2 3.48Å; A254-Q363 PolarHBondContact N-O 3.04Å; A254-Q363 PolarHBondContact O-N 3.35Å; A254-V365 HydrophobicContact CB-CB 4.34Å; A254-V365 HydrophobicContact CB-CG2 3.59Å
255	I	94.8	Very high	93.8	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	151.8	166.9	54.5	152.4	0	0	0	110.8	W263 A264 P266 E287 A359 H361 V362	I255-W263 CarbonylContact O-C 3.59Å; I255-W263 VanDerWaalsContact O-CA 3.29Å; I255-W263 WeakPolarHBondContact O-CA 3.46Å; I255-W263 VanDerWaalsContact O-CE3 3.31Å; I255-A264 HydrophobicContact CG1-CB 4.32Å; I255-A264 PolarHBondContact N-O 3.02Å; I255-A264 PolarHBondContact O-N 3.14Å; I255-P266 HydrophobicContact CG1-CB 4.16Å; I255-P266 HydrophobicContact CG2-CB 3.94Å; I255-E287 HydrophobicContact CD1-CB 4.47Å; I255-E287 VanDerWaalsContact CD1-CD 3.49Å; I255-E287 WeakPolarHBondContact CD1-OE1 3.44Å; I255-E287 WeakPolarHBondContact CD1-OE2 3.49Å; I255-E287 HydrophobicContact CG2-CB 4.36Å; I255-A359 HydrophobicContact CB-CB 4.02Å; I255-A359 HydrophobicContact CD1-CB 4.41Å; I255-A359 HydrophobicContact CG2-CB 3.94Å; I255-H361 CarbonylContact C-O 3.59Å; I255-H361 WeakPolarHBondContact CA-O 3.45Å; I255-V362 HydrophobicContact CG2-CB 4.03Å; I255-V362 HydrophobicContact CG2-CG2 3.83Å
256	K	93.3	Very high	93.6	Very high	73 Å²	73	42.6 Å²	42.6	32%	0.317	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	112.1	169.3	-162.8	178.6	-175.2	-178.1	0	108.7	G261 E262 W263 G360 H361	K256-G261 WeakPolarHBondContact CE-O 3.47Å; K256-E262 WeakPolarHBondContact CA-O 3.45Å; K256-W263 HydrophobicContact CB-CD2 3.95Å; K256-W263 HydrophobicContact CB-CE3 3.82Å; K256-W263 HydrophobicContact CB-CH2 3.96Å; K256-W263 HydrophobicContact CB-CZ2 4.12Å; K256-W263 HydrophobicContact CB-CZ3 3.82Å; K256-W263 HydrophobicContact CD-CZ2 4.08Å; K256-W263 HydrophobicContact CG-CD2 4.21Å; K256-W263 HydrophobicContact CG-CZ2 4.45Å; K256-G360 PolarHBondContact O-N 2.92Å; K256-H361 HydrophobicContact CB-CB 4.13Å; K256-H361 PolarHBondContact N-O 3.03Å
257	R	88.9	Confident	93.4	Very high	50 Å²	50	35.7 Å²	35.7	19%	0.189	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	142.1	-173.8	-58.5	177.6	56.2	85.4	1.8	111.4	D259 G261 E262 A264	R257-D259 VanDerWaalsContact CB-OD1 3.25Å; R257-D259 WeakPolarHBondContact CB-OD1 3.32Å; R257-D259 IonicContact CZ-OD1 3.62Å; R257-D259 IonicContact CZ-OD2 3.64Å; R257-D259 IonicContact NE-OD1 2.75Å; R257-D259 PolarHBondContact NE-OD1 3.17Å; R257-D259 IonicContact NE-OD2 3.54Å; R257-D259 IonicContact NH2-OD1 2.84Å; R257-D259 PolarHBondContact NH2-OD1 2.99Å; R257-D259 IonicContact NH2-OD2 2.68Å; R257-D259 PolarHBondContact NH2-OD2 3.46Å; R257-G261 VanDerWaalsContact O-CA 3.24Å; R257-G261 WeakPolarHBondContact O-CA 3.43Å; R257-G261 PolarHBondContact O-N 3.45Å; R257-E262 PolarHBondContact N-O 2.94Å; R257-A264 HydrophobicContact CG-CB 4.04Å
258	R	85.1	Confident	93.2	Very high	151 Å²	151	32 Å²	32	57%	0.57	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-22.2	177.5	-70.7	178.5	-171	-170.4	11.7	114.2	G356 D357 D358 A359	R258-G356 PolarHBondContact NH2-O 3.16Å; R258-D357 WeakPolarHBondContact CD-O 3.31Å; R258-D357 PolarHBondContact NE-O 2.95Å; R258-D357 VanDerWaalsContact NE-O 3.15Å; R258-D357 PolarHBondContact NH1-O 2.85Å; R258-D357 PolarHBondContact NH2-O 2.66Å; R258-D358 WeakPolarHBondContact CB-O 3.42Å; R258-D358 VanDerWaalsContact CG-O 3.26Å; R258-D358 WeakPolarHBondContact CG-O 3.46Å; R258-D358 PolarHBondContact N-O 3.48Å; R258-A359 VanDerWaalsContact CZ-O 3.28Å; R258-A359 VanDerWaalsContact NE-C 3.31Å; R258-A359 PolarHBondContact NE-O 3.41Å; R258-A359 PolarHBondContact NH2-O 3.39Å
259	D	79.5	Confident	93.1	Very high	82 Å²	82	34.5 Å²	34.5	44%	0.439	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-40.6	-173.1	64.7	-19.5	0	0	0	114.4	R257	R257-D259 VanDerWaalsContact CB-OD1 3.25Å; R257-D259 WeakPolarHBondContact CB-OD1 3.32Å; R257-D259 IonicContact CZ-OD1 3.62Å; R257-D259 IonicContact CZ-OD2 3.64Å; R257-D259 IonicContact NE-OD1 2.75Å; R257-D259 PolarHBondContact NE-OD1 3.17Å; R257-D259 IonicContact NE-OD2 3.54Å; R257-D259 IonicContact NH2-OD1 2.84Å; R257-D259 PolarHBondContact NH2-OD1 2.99Å; R257-D259 IonicContact NH2-OD2 2.68Å; R257-D259 PolarHBondContact NH2-OD2 3.46Å
260	C	82.8	Confident	93	Very high	55 Å²	55	35.4 Å²	35.4	37%	0.372	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-17.2	176.6	60.4	0	0	0	0	114.3	E262	C260-E262 HydrophobicContact CB-CG 4.3Å; C260-E262 PolarHBondContact O-N 3.17Å
261	G	88.3	Confident	92.8	Very high	36 Å²	36	39.7 Å²	39.7	37%	0.371	21%	0.205	S	C	.	.			trans	73.5	10.5	-174.2	0	0	0	0	0	114.6	K256 R257	K256-G261 WeakPolarHBondContact CE-O 3.47Å; R257-G261 VanDerWaalsContact O-CA 3.24Å; R257-G261 WeakPolarHBondContact O-CA 3.43Å; R257-G261 PolarHBondContact O-N 3.45Å
262	E	91.2	Very high	92.5	Very high	87 Å²	87	41.6 Å²	41.6	41%	0.407	22%	0.219	S	C	.	.			trans	-84.1	157.7	174.4	-63	173.5	-122.9	0	0	111.6	K256 R257 C260 Y374	K256-E262 WeakPolarHBondContact CA-O 3.45Å; R257-E262 PolarHBondContact N-O 2.94Å; C260-E262 HydrophobicContact CB-CG 4.3Å; C260-E262 PolarHBondContact O-N 3.17Å; E262-Y374 HydrophobicContact CB-CD2 4.44Å; E262-Y374 WeakPolarHBondContact OE2-CA 3.14Å
263	W	95.3	Very high	92.1	Very high	48 Å²	48	44.6 Å²	44.6	18%	0.182	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	144.6	170.8	-70.1	102.2	0	0	0	110.9	A254 I255 K256 H361 Q363 F371 L373 Y374	A254-W263 HydrophobicContact CB-CE3 3.78Å; A254-W263 HydrophobicContact CB-CZ3 4.31Å; I255-W263 CarbonylContact O-C 3.59Å; I255-W263 VanDerWaalsContact O-CA 3.29Å; I255-W263 WeakPolarHBondContact O-CA 3.46Å; I255-W263 VanDerWaalsContact O-CE3 3.31Å; K256-W263 HydrophobicContact CB-CD2 3.95Å; K256-W263 HydrophobicContact CB-CE3 3.82Å; K256-W263 HydrophobicContact CB-CH2 3.96Å; K256-W263 HydrophobicContact CB-CZ2 4.12Å; K256-W263 HydrophobicContact CB-CZ3 3.82Å; K256-W263 HydrophobicContact CD-CZ2 4.08Å; K256-W263 HydrophobicContact CG-CD2 4.21Å; K256-W263 HydrophobicContact CG-CZ2 4.45Å; W263-H361 HydrophobicContact CH2-CB 4.01Å; W263-Q363 HydrophobicContact CH2-CG 3.8Å; W263-Q363 VanDerWaalsContact CZ2-NE2 3.3Å; W263-Q363 HydrophobicContact CZ3-CG 3.91Å; W263-F371 HydrophobicContact CB-CE1 3.68Å; W263-F371 HydrophobicContact CB-CZ 3.92Å; W263-F371 AromaticContact CD1-CZ 3.57Å; W263-F371 AromaticContact CD2-CZ 3.99Å; W263-F371 HydrophobicContact CD2-CZ 3.99Å; W263-F371 AromaticContact CG-CE1 3.88Å; W263-F371 HydrophobicContact CG-CE1 3.88Å; W263-F371 AromaticContact CG-CZ 3.57Å; W263-F371 HydrophobicContact CG-CZ 3.57Å; W263-F371 AromaticContact NE1-CZ 3.98Å; W263-L373 HydrophobicContact CB-CD2 3.85Å; W263-L373 WeakPolarHBondContact O-CA 3.34Å; W263-L373 WeakPolarHBondContact O-CD2 3.13Å; W263-Y374 WeakPolarHBondContact O-CB 3.24Å; W263-Y374 PolarHBondContact O-N 3.49Å
264	A	95	Very high	91.9	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	164.7	-178.2	0	0	0	0	0	111.9	A254 I255 R257	A254-A264 WeakPolarHBondContact CA-O 3.44Å; I255-A264 HydrophobicContact CG1-CB 4.32Å; I255-A264 PolarHBondContact N-O 3.02Å; I255-A264 PolarHBondContact O-N 3.14Å; R257-A264 HydrophobicContact CG-CB 4.04Å
265	I	96.3	Very high	91.8	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	29%	0.288	C	S	.	.			trans	-67.2	141.1	159.4	-61.3	156.9	0	0	0	106.7	D225 V227 G267 H377 F380	D225-I265 HydrophobicContact CB-CG2 4.1Å; V227-I265 HydrophobicContact CG2-CD1 3.68Å; V227-I265 HydrophobicContact CG2-CG1 4.12Å; V227-I265 HydrophobicContact CG2-CG2 4.02Å; I265-G267 VanDerWaalsContact C-N 3.31Å; I265-G267 PolarHBondContact O-N 3.46Å; I265-H377 HydrophobicContact CD1-CB 3.74Å; I265-H377 HydrophobicContact CG1-CB 4.17Å; I265-H377 PolarHBondContact N-ND1 2.74Å; I265-F380 HydrophobicContact CD1-CB 4.31Å; I265-F380 HydrophobicContact CD1-CD2 3.96Å
266	P	94.1	Very high	91.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.301	C	S	.	.	S	Bend	trans	-74.8	79.9	176.7	29.8	-36.1	0	0	0	111.5	P226 V253 I255 F284 E287 A288	P226-P266 WeakPolarHBondContact CD-O 3.41Å; P226-P266 WeakPolarHBondContact CG-O 3.4Å; V253-P266 HydrophobicContact CG1-CG 4.33Å; V253-P266 VanDerWaalsContact O-CD 3.3Å; V253-P266 WeakPolarHBondContact O-CD 3.38Å; I255-P266 HydrophobicContact CG1-CB 4.16Å; I255-P266 HydrophobicContact CG2-CB 3.94Å; P266-F284 HydrophobicContact CG-CD2 3.76Å; P266-F284 HydrophobicContact CG-CE2 4.12Å; P266-E287 WeakPolarHBondContact CA-OE2 3.24Å; P266-E287 HydrophobicContact CB-CB 4.06Å; P266-A288 HydrophobicContact CB-CB 4.16Å; P266-A288 HydrophobicContact CG-CB 4.28Å
267	G	93.8	Very high	91.8	Very high	12 Å²	12	54.2 Å²	54.2	12%	0.124	31%	0.305	C	S	.	.			trans	-139.2	146.7	-173.4	0	0	0	0	0	112.2	A224 I265 E287	A224-G267 VanDerWaalsContact O-CA 3.3Å; A224-G267 WeakPolarHBondContact O-CA 3.32Å; I265-G267 VanDerWaalsContact C-N 3.31Å; I265-G267 PolarHBondContact O-N 3.46Å; G267-E287 PolarHBondContact N-OE2 2.85Å; G267-E287 VanDerWaalsContact N-OE2 3.14Å
268	G	93.6	Very high	92	Very high	14 Å²	14	56.1 Å²	56.1	14%	0.144	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	-162.3	-170.9	0	0	0	0	0	113.4	A223 A224 E283	A223-G268 CarbonylContact C-O 3.48Å; A223-G268 WeakPolarHBondContact CA-O 3.45Å; A223-G268 WeakPolarHBondContact CB-O 3.3Å; A224-G268 PolarHBondContact N-O 3.07Å; A224-G268 PolarHBondContact O-N 2.85Å; G268-E283 WeakPolarHBondContact CA-OE1 3.45Å
269	M	96.2	Very high	92.6	Very high	75 Å²	75	49 Å²	49	37%	0.369	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	140.2	-167.7	-55.9	-54.1	-56.5	0	0	111.5	N221 H222 A223 D271 R282 E283 M333	N221-M269 HydrophobicContact CB-CE 4.01Å; H222-M269 WeakPolarHBondContact O-CE 3.43Å; A223-M269 HydrophobicContact CB-SD 4.48Å; M269-D271 PolarHBondContact O-N 2.74Å; M269-R282 PolarHBondContact O-NH2 2.9Å; M269-R282 VanDerWaalsContact O-NH2 3.11Å; M269-E283 PolarHBondContact N-OE1 3.32Å; M269-M333 HydrophobicContact CE-CE 3.95Å; M269-M333 HydrophobicContact CE-SD 4.31Å; M269-M333 HydrophobicContact SD-CE 3.86Å; M269-M333 HydrophobicContact SD-SD 4.46Å
270	V	96.7	Very high	93.3	Very high	36 Å²	36	45.3 Å²	45.3	22%	0.218	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-71.7	119.1	169.6	-177.8	0	0	0	0	108.6	H222 A224 E274 V276 T279	H222-V270 HydrophobicContact CB-CB 4.29Å; H222-V270 HydrophobicContact CB-CG2 4.11Å; H222-V270 PolarHBondContact O-N 2.9Å; A224-V270 HydrophobicContact CB-CG2 4.37Å; V270-E274 HydrophobicContact CG1-CB 4.27Å; V270-V276 HydrophobicContact CG2-CG2 4.21Å; V270-T279 HydrophobicContact CG2-CG2 4.08Å
271	D	93.4	Very high	93.9	Very high	90 Å²	90	45 Å²	45	48%	0.481	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-71.5	155.6	-178.9	-116.2	-19.8	0	0	0	112	M269 G273 E274	M269-D271 PolarHBondContact O-N 2.74Å; D271-G273 PolarHBondContact O-N 2.8Å; D271-E274 HydrophobicContact CB-CB 3.83Å; D271-E274 PolarHBondContact N-OE2 3.08Å; D271-E274 VanDerWaalsContact O-CB 3.25Å; D271-E274 WeakPolarHBondContact O-CB 3.38Å; D271-E274 PolarHBondContact O-N 2.78Å
272	P	91.9	Very high	94.2	Very high	59 Å²	59	46 Å²	46	38%	0.383	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	110.1	-177.9	-24.3	35.1	0	0	0	113.1	P183	P183-P272 HydrophobicContact CB-CB 4Å; P183-P272 HydrophobicContact CG-CB 4.34Å; P183-P272 CarbonylContact O-C 3.57Å; P183-P272 WeakPolarHBondContact O-CA 3.34Å
273	G	90.4	Very high	94.3	Very high	64 Å²	64	42.8 Å²	42.8	66%	0.66	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.9	2.7	-175.3	0	0	0	0	0	114.7	P183 D271	P183-G273 PolarHBondContact O-N 2.85Å; D271-G273 PolarHBondContact O-N 2.8Å
274	E	93.8	Very high	94.2	Very high	44 Å²	44	40.5 Å²	40.5	21%	0.206	24%	0.235	C	C	.	.			trans	-72.2	145.2	172.5	-168	174.9	-133.2	0	0	110.8	V270 D271 L278 T279 R282	V270-E274 HydrophobicContact CG1-CB 4.27Å; D271-E274 HydrophobicContact CB-CB 3.83Å; D271-E274 PolarHBondContact N-OE2 3.08Å; D271-E274 VanDerWaalsContact O-CB 3.25Å; D271-E274 WeakPolarHBondContact O-CB 3.38Å; D271-E274 PolarHBondContact O-N 2.78Å; E274-L278 HydrophobicContact CG-CB 4.07Å; E274-T279 WeakPolarHBondContact CG-OG1 3.27Å; E274-T279 WeakPolarHBondContact OE2-CB 3.25Å; E274-T279 PolarHBondContact OE2-OG1 2.99Å; E274-R282 IonicContact OE1-CZ 2.72Å; E274-R282 IonicContact OE1-NE 3.38Å; E274-R282 PolarHBondContact OE1-NE 3.44Å; E274-R282 IonicContact OE1-NH2 2.69Å; E274-R282 IonicContact OE2-CZ 3.8Å; E274-R282 IonicContact OE2-NE 3.65Å; E274-R282 IonicContact OE2-NH2 2.69Å; E274-R282 PolarHBondContact OE2-NH2 2.92Å
275	Q	93.3	Very high	94	Very high	128 Å²	128	41 Å²	41	60%	0.598	24%	0.238	S	C	*	.			trans	-85.2	135.7	168.8	-67.5	-177.7	82.8	0	0	109.4	S277 L278 T279	Q275-S277 PolarHBondContact O-N 2.91Å; Q275-L278 HydrophobicContact CB-CD1 4.21Å; Q275-L278 HydrophobicContact CB-CG 4.2Å; Q275-L278 WeakPolarHBondContact O-CA 3.28Å; Q275-L278 WeakPolarHBondContact O-CB 3.29Å; Q275-L278 PolarHBondContact O-N 3.35Å; Q275-T279 PolarHBondContact O-N 3.29Å; Q275-T279 VanDerWaalsContact O-N 3.09Å; Q275-T279 PolarHBondContact O-OG1 2.81Å
276	V	94.7	Very high	93.6	Very high	46 Å²	46	44.1 Å²	44.1	28%	0.279	25%	0.253	S	S	.	.	H	α-helix	trans	-49.2	-36.2	177.8	174.8	0	0	0	0	113	A224 V270 L278 T279 L280 V336	A224-V276 HydrophobicContact CB-CG1 3.99Å; V270-V276 HydrophobicContact CG2-CG2 4.21Å; V276-L278 VanDerWaalsContact C-N 3.32Å; V276-L278 PolarHBondContact O-N 2.69Å; V276-T279 WeakPolarHBondContact O-CB 3.29Å; V276-T279 PolarHBondContact O-N 2.57Å; V276-L280 HydrophobicContact CG1-CD1 4.07Å; V276-L280 HydrophobicContact CG1-CG 4.38Å; V276-L280 VanDerWaalsContact O-CG 3.22Å; V276-L280 WeakPolarHBondContact O-CG 3.33Å; V276-L280 PolarHBondContact O-N 2.93Å; V276-V336 HydrophobicContact CG1-CB 3.73Å; V276-V336 HydrophobicContact CG1-CG1 4.09Å; V276-V336 HydrophobicContact CG1-CG2 3.96Å; V276-V336 HydrophobicContact CG2-CG2 4.34Å
277	S	93.3	Very high	93.1	Very high	58 Å²	58	45.1 Å²	45.1	41%	0.406	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-33.8	175.1	47.5	0	0	0	0	113.9	Q275 Q281	Q275-S277 PolarHBondContact O-N 2.91Å; S277-Q281 PolarHBondContact O-N 3.26Å
278	L	94.1	Very high	92.7	Very high	91 Å²	91	44.6 Å²	44.6	48%	0.476	25%	0.251	S	S	.	.	H	α-helix	trans	-75.7	-43.3	173.9	-60.2	175.8	0	0	0	110.7	E274 Q275 V276 L280 Q281 R282	E274-L278 HydrophobicContact CG-CB 4.07Å; Q275-L278 HydrophobicContact CB-CD1 4.21Å; Q275-L278 HydrophobicContact CB-CG 4.2Å; Q275-L278 WeakPolarHBondContact O-CA 3.28Å; Q275-L278 WeakPolarHBondContact O-CB 3.29Å; Q275-L278 PolarHBondContact O-N 3.35Å; V276-L278 VanDerWaalsContact C-N 3.32Å; V276-L278 PolarHBondContact O-N 2.69Å; L278-L280 PolarHBondContact O-N 2.8Å; L278-Q281 PolarHBondContact O-N 3.35Å; L278-Q281 VanDerWaalsContact O-N 3.17Å; L278-R282 VanDerWaalsContact O-CB 3.27Å; L278-R282 WeakPolarHBondContact O-CB 3.48Å; L278-R282 PolarHBondContact O-N 2.88Å
279	T	96	Very high	92.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-53.5	-51.8	173.6	-45	0	0	0	0	110.8	A224 V270 E274 Q275 V276 Q281 R282 E283	A224-T279 HydrophobicContact CB-CG2 3.71Å; V270-T279 HydrophobicContact CG2-CG2 4.08Å; E274-T279 WeakPolarHBondContact CG-OG1 3.27Å; E274-T279 WeakPolarHBondContact OE2-CB 3.25Å; E274-T279 PolarHBondContact OE2-OG1 2.99Å; Q275-T279 PolarHBondContact O-N 3.29Å; Q275-T279 VanDerWaalsContact O-N 3.09Å; Q275-T279 PolarHBondContact O-OG1 2.81Å; V276-T279 WeakPolarHBondContact O-CB 3.29Å; V276-T279 PolarHBondContact O-N 2.57Å; T279-Q281 VanDerWaalsContact C-N 3.29Å; T279-Q281 PolarHBondContact O-N 2.87Å; T279-R282 PolarHBondContact O-N 3.23Å; T279-R282 VanDerWaalsContact O-N 3.13Å; T279-E283 HydrophobicContact CG2-CG 3.89Å; T279-E283 WeakPolarHBondContact O-CB 3.36Å; T279-E283 VanDerWaalsContact O-CG 3.28Å; T279-E283 WeakPolarHBondContact O-CG 3.41Å; T279-E283 PolarHBondContact O-N 3.11Å
280	L	96.3	Very high	91.6	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-54.6	-41	178.1	-72.2	164.3	0	0	0	113	A224 D225 P226 V276 L278 F310 V338 F340	A224-L280 HydrophobicContact CB-CD2 3.77Å; A224-L280 HydrophobicContact CB-CG 3.84Å; D225-L280 VanDerWaalsContact C-CD2 3.46Å; P226-L280 HydrophobicContact CB-CB 4.28Å; P226-L280 HydrophobicContact CB-CD2 3.88Å; P226-L280 WeakPolarHBondContact CB-O 3.37Å; P226-L280 HydrophobicContact CG-CD2 4.45Å; P226-L280 WeakPolarHBondContact CG-O 3.35Å; V276-L280 HydrophobicContact CG1-CD1 4.07Å; V276-L280 HydrophobicContact CG1-CG 4.38Å; V276-L280 VanDerWaalsContact O-CG 3.22Å; V276-L280 WeakPolarHBondContact O-CG 3.33Å; V276-L280 PolarHBondContact O-N 2.93Å; L278-L280 PolarHBondContact O-N 2.8Å; L280-F310 HydrophobicContact CB-CE1 4.3Å; L280-F310 VanDerWaalsContact O-CE1 3.25Å; L280-F310 WeakPolarHBondContact O-CE1 3.35Å; L280-V338 HydrophobicContact CD1-CB 3.81Å; L280-V338 HydrophobicContact CD1-CG2 3.51Å; L280-V338 HydrophobicContact CD2-CB 4.25Å; L280-V338 HydrophobicContact CD2-CG2 4.4Å; L280-F340 HydrophobicContact CB-CE2 4.24Å; L280-F340 HydrophobicContact CD1-CE2 4.22Å; L280-F340 HydrophobicContact CD1-CZ 4.25Å
281	Q	94.9	Very high	90.1	Very high	49 Å²	49	41.2 Å²	41.2	23%	0.229	23%	0.232	C	C	.	.	H	α-helix	trans	-76.1	-40.1	177.5	-169.9	-174.7	-39.1	0	0	111.8	S277 L278 T279 S285 I306 F310	S277-Q281 PolarHBondContact O-N 3.26Å; L278-Q281 PolarHBondContact O-N 3.35Å; L278-Q281 VanDerWaalsContact O-N 3.17Å; T279-Q281 VanDerWaalsContact C-N 3.29Å; T279-Q281 PolarHBondContact O-N 2.87Å; Q281-S285 VanDerWaalsContact O-CB 3.29Å; Q281-S285 WeakPolarHBondContact O-CB 3.24Å; Q281-S285 PolarHBondContact O-N 2.8Å; Q281-S285 VanDerWaalsContact O-N 3.08Å; Q281-S285 PolarHBondContact O-OG 2.63Å; Q281-I306 HydrophobicContact CG-CG2 3.56Å; Q281-F310 HydrophobicContact CB-CB 4.38Å; Q281-F310 HydrophobicContact CB-CD1 3.9Å; Q281-F310 HydrophobicContact CB-CE1 4.34Å; Q281-F310 HydrophobicContact CB-CG 4.04Å; Q281-F310 HydrophobicContact CG-CB 4.13Å; Q281-F310 HydrophobicContact CG-CD1 4.25Å; Q281-F310 HydrophobicContact CG-CD2 4.1Å; Q281-F310 HydrophobicContact CG-CG 3.89Å
282	R	93.7	Very high	88.7	Confident	57 Å²	57	42.4 Å²	42.4	22%	0.215	24%	0.238	C	C	.	.	H	α-helix	trans	-64.8	-57.7	-177.3	-179.8	-178.3	54.1	65.4	2.7	111	M269 E274 L278 T279 F284 S285 E286	M269-R282 PolarHBondContact O-NH2 2.9Å; M269-R282 VanDerWaalsContact O-NH2 3.11Å; E274-R282 IonicContact OE1-CZ 2.72Å; E274-R282 IonicContact OE1-NE 3.38Å; E274-R282 PolarHBondContact OE1-NE 3.44Å; E274-R282 IonicContact OE1-NH2 2.69Å; E274-R282 IonicContact OE2-CZ 3.8Å; E274-R282 IonicContact OE2-NE 3.65Å; E274-R282 IonicContact OE2-NH2 2.69Å; E274-R282 PolarHBondContact OE2-NH2 2.92Å; L278-R282 VanDerWaalsContact O-CB 3.27Å; L278-R282 WeakPolarHBondContact O-CB 3.48Å; L278-R282 PolarHBondContact O-N 2.88Å; T279-R282 PolarHBondContact O-N 3.23Å; T279-R282 VanDerWaalsContact O-N 3.13Å; R282-F284 VanDerWaalsContact C-N 3.29Å; R282-F284 PolarHBondContact O-N 3.25Å; R282-S285 CarbonylContact O-C 3.5Å; R282-S285 WeakPolarHBondContact O-CA 3.42Å; R282-S285 WeakPolarHBondContact O-CB 3.45Å; R282-S285 PolarHBondContact O-N 3.09Å; R282-E286 VanDerWaalsContact CG-CD 3.41Å; R282-E286 HydrophobicContact CG-CG 4.28Å; R282-E286 WeakPolarHBondContact CG-OE1 3.31Å; R282-E286 VanDerWaalsContact CG-OE2 3.24Å; R282-E286 WeakPolarHBondContact CG-OE2 3.46Å; R282-E286 IonicContact NH1-OE2 2.65Å; R282-E286 PolarHBondContact NH1-OE2 3.03Å; R282-E286 WeakPolarHBondContact O-CG 3.3Å; R282-E286 PolarHBondContact O-N 3.17Å
283	E	93.6	Very high	87.5	Confident	19 Å²	19	42.7 Å²	42.7	9%	0.089	24%	0.242	C	C	.	.	H	α-helix	trans	-54.2	-46.2	-178.6	-62	-66.9	170.5	0	0	111	G268 M269 T279 S285 E286 E287	G268-E283 WeakPolarHBondContact CA-OE1 3.45Å; M269-E283 PolarHBondContact N-OE1 3.32Å; T279-E283 HydrophobicContact CG2-CG 3.89Å; T279-E283 WeakPolarHBondContact O-CB 3.36Å; T279-E283 VanDerWaalsContact O-CG 3.28Å; T279-E283 WeakPolarHBondContact O-CG 3.41Å; T279-E283 PolarHBondContact O-N 3.11Å; E283-S285 PolarHBondContact O-N 3.13Å; E283-E286 PolarHBondContact O-N 3.47Å; E283-E287 WeakPolarHBondContact O-CB 3.3Å; E283-E287 PolarHBondContact O-N 2.86Å
284	F	93.4	Very high	86.5	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.1	-41	175.4	-172.9	-94.6	0	0	0	113.3	P226 V228 V253 P266 R282 E286 A288 L289 F310 V348	P226-F284 HydrophobicContact CB-CB 4.31Å; P226-F284 HydrophobicContact CG-CB 3.88Å; P226-F284 HydrophobicContact CG-CD2 4.47Å; V228-F284 HydrophobicContact CB-CD2 4.16Å; V228-F284 HydrophobicContact CB-CE2 3.59Å; V228-F284 HydrophobicContact CB-CZ 4Å; V228-F284 HydrophobicContact CG1-CE2 4.07Å; V228-F284 HydrophobicContact CG1-CZ 3.95Å; V228-F284 HydrophobicContact CG2-CD1 4.39Å; V228-F284 HydrophobicContact CG2-CD2 3.56Å; V228-F284 HydrophobicContact CG2-CE1 4.29Å; V228-F284 HydrophobicContact CG2-CE2 3.45Å; V228-F284 VanDerWaalsContact CG2-CE2 3.45Å; V228-F284 HydrophobicContact CG2-CG 4.07Å; V228-F284 HydrophobicContact CG2-CZ 3.86Å; V253-F284 HydrophobicContact CB-CE2 3.9Å; V253-F284 HydrophobicContact CB-CZ 4.47Å; V253-F284 HydrophobicContact CG1-CE2 3.89Å; V253-F284 HydrophobicContact CG1-CZ 4.4Å; V253-F284 HydrophobicContact CG2-CE2 3.97Å; V253-F284 HydrophobicContact CG2-CZ 4.08Å; P266-F284 HydrophobicContact CG-CD2 3.76Å; P266-F284 HydrophobicContact CG-CE2 4.12Å; R282-F284 VanDerWaalsContact C-N 3.29Å; R282-F284 PolarHBondContact O-N 3.25Å; F284-E286 VanDerWaalsContact C-N 3.31Å; F284-E286 PolarHBondContact O-N 3.44Å; F284-A288 HydrophobicContact CD2-CB 4.14Å; F284-A288 HydrophobicContact CE2-CB 3.89Å; F284-A288 HydrophobicContact CZ-CB 4.17Å; F284-A288 WeakPolarHBondContact O-CB 3.25Å; F284-A288 PolarHBondContact O-N 2.76Å; F284-A288 VanDerWaalsContact O-N 3.15Å; F284-L289 HydrophobicContact CD1-CD1 4.15Å; F284-L289 HydrophobicContact CD1-CG 4.44Å; F284-L289 HydrophobicContact CE1-CD1 3.77Å; F284-L289 HydrophobicContact CE1-CD2 4.49Å; F284-L289 HydrophobicContact CE1-CG 3.94Å; F284-F310 HydrophobicContact CB-CE2 4.3Å; F284-F310 HydrophobicContact CB-CZ 3.68Å; F284-F310 AromaticContact CD1-CE2 3.73Å; F284-F310 HydrophobicContact CD1-CE2 3.73Å; F284-F310 AromaticContact CD1-CZ 3.91Å; F284-F310 HydrophobicContact CD1-CZ 3.91Å; F284-F310 HydrophobicContact CE1-CE2 4.41Å; F284-F310 HydrophobicContact CG-CE2 4.09Å; F284-F310 AromaticContact CG-CZ 3.76Å; F284-F310 HydrophobicContact CG-CZ 3.76Å; F284-V348 HydrophobicContact CE1-CG1 3.67Å; F284-V348 HydrophobicContact CZ-CG1 3.67Å
285	S	90.9	Very high	85.6	Confident	12 Å²	12	44.7 Å²	44.7	8%	0.084	23%	0.234	C	C	.	.	H	α-helix	trans	-73.3	-23.7	-179.1	-57.1	0	0	0	0	113.2	Q281 R282 E283 S291	Q281-S285 VanDerWaalsContact O-CB 3.29Å; Q281-S285 WeakPolarHBondContact O-CB 3.24Å; Q281-S285 PolarHBondContact O-N 2.8Å; Q281-S285 VanDerWaalsContact O-N 3.08Å; Q281-S285 PolarHBondContact O-OG 2.63Å; R282-S285 CarbonylContact O-C 3.5Å; R282-S285 WeakPolarHBondContact O-CA 3.42Å; R282-S285 WeakPolarHBondContact O-CB 3.45Å; R282-S285 PolarHBondContact O-N 3.09Å; E283-S285 PolarHBondContact O-N 3.13Å; S285-S291 VanDerWaalsContact O-CB 3.28Å; S285-S291 WeakPolarHBondContact O-CB 3.37Å; S285-S291 PolarHBondContact O-N 3.24Å; S285-S291 VanDerWaalsContact O-N 3.09Å; S285-S291 PolarHBondContact O-OG 2.64Å
286	E	86.9	Confident	84.7	Confident	67 Å²	67	44.9 Å²	44.9	31%	0.313	23%	0.234	S	C	.	.	H	α-helix	trans	-89.3	-55.7	178.9	-70.8	174.3	163.8	0	0	110.5	R282 E283 F284 N290 G356	R282-E286 VanDerWaalsContact CG-CD 3.41Å; R282-E286 HydrophobicContact CG-CG 4.28Å; R282-E286 WeakPolarHBondContact CG-OE1 3.31Å; R282-E286 VanDerWaalsContact CG-OE2 3.24Å; R282-E286 WeakPolarHBondContact CG-OE2 3.46Å; R282-E286 IonicContact NH1-OE2 2.65Å; R282-E286 PolarHBondContact NH1-OE2 3.03Å; R282-E286 WeakPolarHBondContact O-CG 3.3Å; R282-E286 PolarHBondContact O-N 3.17Å; E283-E286 PolarHBondContact O-N 3.47Å; F284-E286 VanDerWaalsContact C-N 3.31Å; F284-E286 PolarHBondContact O-N 3.44Å; E286-N290 PolarHBondContact O-N 2.93Å; E286-G356 VanDerWaalsContact O-CA 3.28Å; E286-G356 WeakPolarHBondContact O-CA 3.36Å
287	E	84.6	Confident	83.7	Confident	21 Å²	21	47.2 Å²	47.2	10%	0.098	25%	0.253	C	S	.	.	H	α-helix	trans	-75.9	-36.6	-174.6	-66	-159.3	120	0	0	114.7	I255 P266 G267 E283 A355 G356	I255-E287 HydrophobicContact CD1-CB 4.47Å; I255-E287 VanDerWaalsContact CD1-CD 3.49Å; I255-E287 WeakPolarHBondContact CD1-OE1 3.44Å; I255-E287 WeakPolarHBondContact CD1-OE2 3.49Å; I255-E287 HydrophobicContact CG2-CB 4.36Å; P266-E287 WeakPolarHBondContact CA-OE2 3.24Å; P266-E287 HydrophobicContact CB-CB 4.06Å; G267-E287 PolarHBondContact N-OE2 2.85Å; G267-E287 VanDerWaalsContact N-OE2 3.14Å; E283-E287 WeakPolarHBondContact O-CB 3.3Å; E283-E287 PolarHBondContact O-N 2.86Å; E287-A355 WeakPolarHBondContact O-CA 3.36Å; E287-G356 PolarHBondContact O-N 3.1Å
288	A	85.9	Confident	83	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-17.9	-169.7	0	0	0	0	0	115.4	V253 P266 F284 L353 Q354 V362	V253-A288 HydrophobicContact CG1-CB 3.84Å; P266-A288 HydrophobicContact CB-CB 4.16Å; P266-A288 HydrophobicContact CG-CB 4.28Å; F284-A288 HydrophobicContact CD2-CB 4.14Å; F284-A288 HydrophobicContact CE2-CB 3.89Å; F284-A288 HydrophobicContact CZ-CB 4.17Å; F284-A288 WeakPolarHBondContact O-CB 3.25Å; F284-A288 PolarHBondContact O-N 2.76Å; F284-A288 VanDerWaalsContact O-N 3.15Å; A288-L353 WeakPolarHBondContact O-CA 3.37Å; A288-Q354 CarbonylContact C-O 3.5Å; A288-Q354 PolarHBondContact O-N 3.3Å; A288-V362 HydrophobicContact CB-CG2 3.94Å
289	L	84.9	Confident	82.3	Confident	5 Å²	5	48.3 Å²	48.3	3%	0.026	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-9.6	-179.8	-63.4	-179.7	0	0	0	114.2	F284 S291 I306 L351 L353 Q354	F284-L289 HydrophobicContact CD1-CD1 4.15Å; F284-L289 HydrophobicContact CD1-CG 4.44Å; F284-L289 HydrophobicContact CE1-CD1 3.77Å; F284-L289 HydrophobicContact CE1-CD2 4.49Å; F284-L289 HydrophobicContact CE1-CG 3.94Å; L289-S291 PolarHBondContact O-N 2.9Å; L289-S291 VanDerWaalsContact O-N 3.13Å; L289-I306 HydrophobicContact CD1-CD1 3.61Å; L289-I306 HydrophobicContact CD1-CG1 3.68Å; L289-L351 HydrophobicContact CD1-CD1 3.82Å; L289-L351 HydrophobicContact CD2-CB 3.99Å; L289-L351 HydrophobicContact CD2-CD1 4.08Å; L289-L353 HydrophobicContact CD2-CD2 3.95Å; L289-Q354 CarbonylContact C-O 3.12Å; L289-Q354 PolarHBondContact N-O 3.32Å
290	N	80.1	Confident	81.7	Confident	22 Å²	22	54 Å²	54	12%	0.118	27%	0.272	C	S	.	.			trans	43.6	46.7	-176.5	-162.7	-30.3	0	0	0	112.8	E286 L292 S293 Q354 A355	E286-N290 PolarHBondContact O-N 2.93Å; N290-L292 PolarHBondContact O-N 2.68Å; N290-S293 PolarHBondContact O-N 3.5Å; N290-S293 PolarHBondContact O-OG 2.81Å; N290-S293 VanDerWaalsContact OD1-CB 3.28Å; N290-S293 WeakPolarHBondContact OD1-CB 3.41Å; N290-S293 PolarHBondContact OD1-OG 3.41Å; N290-S293 VanDerWaalsContact OD1-OG 3.05Å; N290-Q354 HydrophobicContact CB-CB 3.97Å; N290-Q354 HydrophobicContact CB-CG 3.74Å; N290-Q354 PolarHBondContact N-O 3.13Å; N290-Q354 PolarHBondContact ND2-NE2 2.78Å; N290-A355 PolarHBondContact ND2-O 3.11Å
291	S	65.8	Low	81.1	Confident	27 Å²	27	58 Å²	58	19%	0.189	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.6	-172.5	59.1	0	0	0	0	114.6	S285 L289 S293 R299	S285-S291 VanDerWaalsContact O-CB 3.28Å; S285-S291 WeakPolarHBondContact O-CB 3.37Å; S285-S291 PolarHBondContact O-N 3.24Å; S285-S291 VanDerWaalsContact O-N 3.09Å; S285-S291 PolarHBondContact O-OG 2.64Å; L289-S291 PolarHBondContact O-N 2.9Å; L289-S291 VanDerWaalsContact O-N 3.13Å; S291-S293 VanDerWaalsContact C-N 3.33Å; S291-R299 PolarHBondContact O-NE 2.76Å; S291-R299 PolarHBondContact O-NH2 3.46Å
292	L	64.3	Low	80.7	Confident	116 Å²	116	56.7 Å²	56.7	61%	0.607	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-30.5	172.2	-58.1	-179.1	0	0	0	112.6	N290 R299	N290-L292 PolarHBondContact O-N 2.68Å; L292-R299 PolarHBondContact O-NH2 2.97Å
293	S	66	Low	80.3	Confident	65 Å²	65	58.3 Å²	58.3	46%	0.455	30%	0.297	S	S	.	.	S	Bend	trans	-91.6	-12	-175.6	70.2	0	0	0	0	115.7	N290 S291 Q354	N290-S293 PolarHBondContact O-N 3.5Å; N290-S293 PolarHBondContact O-OG 2.81Å; N290-S293 VanDerWaalsContact OD1-CB 3.28Å; N290-S293 WeakPolarHBondContact OD1-CB 3.41Å; N290-S293 PolarHBondContact OD1-OG 3.41Å; N290-S293 VanDerWaalsContact OD1-OG 3.05Å; S291-S293 VanDerWaalsContact C-N 3.33Å; S293-Q354 PolarHBondContact OG-NE2 2.82Å
294	V	71	Confident	80.1	Confident	23 Å²	23	62.2 Å²	62.2	14%	0.139	31%	0.314	C	S	.	.	S	Bend	trans	-76.9	145	-168.6	-176.7	0	0	0	0	113.1	E298 R299 I302	V294-E298 HydrophobicContact CG1-CB 3.63Å; V294-R299 HydrophobicContact CB-CG 4Å; V294-R299 HydrophobicContact CG1-CG 4.08Å; V294-R299 WeakPolarHBondContact O-CD 3.41Å; V294-R299 PolarHBondContact O-NE 2.89Å; V294-I302 HydrophobicContact CB-CD1 4.47Å; V294-I302 HydrophobicContact CG1-CD1 3.83Å; V294-I302 HydrophobicContact CG2-CD1 4.05Å
295	K	74.4	Confident	80	Confident	127 Å²	127	65.7 Å²	65.7	55%	0.552	33%	0.327	S	S	*	.			trans	-59.9	143.1	175.8	-52.2	-171.5	-151.7	79.3	0	111.7	S297 E298 R299	K295-S297 PolarHBondContact O-N 3.16Å; K295-S297 VanDerWaalsContact O-N 3.09Å; K295-E298 WeakPolarHBondContact CG-OE2 3.37Å; K295-E298 IonicContact NZ-OE1 2.89Å; K295-E298 PolarHBondContact NZ-OE1 3.5Å; K295-E298 IonicContact NZ-OE2 3.4Å; K295-E298 PolarHBondContact NZ-OE2 2.61Å; K295-E298 PolarHBondContact O-N 3.4Å; K295-R299 WeakPolarHBondContact O-CG 3.41Å; K295-R299 PolarHBondContact O-N 3.44Å
296	Q	73.8	Confident	80.1	Confident	132 Å²	132	65.4 Å²	65.4	62%	0.617	33%	0.325	S	S	*	.	H	α-helix	trans	-58.7	-28.3	-177.2	-165.8	59.3	30.9	0	0	114.3
297	S	74.1	Confident	80.3	Confident	95 Å²	95	67.1 Å²	67.1	66%	0.664	33%	0.333	S	S	*	.	H	α-helix	trans	-72.9	-27.2	175.6	52.7	0	0	0	0	114.4	K295	K295-S297 PolarHBondContact O-N 3.16Å; K295-S297 VanDerWaalsContact O-N 3.09Å
298	E	79.1	Confident	80.7	Confident	82 Å²	82	71 Å²	71	38%	0.383	35%	0.349	S	S	.	.	H	α-helix	trans	-91.5	-28.5	-179.3	-72.6	148.6	-161.5	0	0	110.8	V294 K295 E300 D301 I302	V294-E298 HydrophobicContact CG1-CB 3.63Å; K295-E298 WeakPolarHBondContact CG-OE2 3.37Å; K295-E298 IonicContact NZ-OE1 2.89Å; K295-E298 PolarHBondContact NZ-OE1 3.5Å; K295-E298 IonicContact NZ-OE2 3.4Å; K295-E298 PolarHBondContact NZ-OE2 2.61Å; K295-E298 PolarHBondContact O-N 3.4Å; E298-E300 VanDerWaalsContact C-N 3.35Å; E298-E300 PolarHBondContact O-N 3Å; E298-D301 PolarHBondContact O-N 2.78Å; E298-I302 WeakPolarHBondContact O-CG1 3.44Å; E298-I302 PolarHBondContact O-N 2.76Å; E298-I302 VanDerWaalsContact O-N 3.16Å
299	R	78.8	Confident	81.1	Confident	89 Å²	89	71.1 Å²	71.1	34%	0.336	35%	0.35	S	S	.	.	H	α-helix	trans	-55	-40.2	-178.4	-84.8	178.4	147.7	-175.8	-3.1	114.8	S291 L292 V294 K295 D301 H303	S291-R299 PolarHBondContact O-NE 2.76Å; S291-R299 PolarHBondContact O-NH2 3.46Å; L292-R299 PolarHBondContact O-NH2 2.97Å; V294-R299 HydrophobicContact CB-CG 4Å; V294-R299 HydrophobicContact CG1-CG 4.08Å; V294-R299 WeakPolarHBondContact O-CD 3.41Å; V294-R299 PolarHBondContact O-NE 2.89Å; K295-R299 WeakPolarHBondContact O-CG 3.41Å; K295-R299 PolarHBondContact O-N 3.44Å; R299-D301 PolarHBondContact O-N 2.92Å; R299-H303 WeakPolarHBondContact O-CB 3.35Å; R299-H303 PolarHBondContact O-N 3.26Å
300	E	83.4	Confident	81.6	Confident	120 Å²	120	71.6 Å²	71.6	56%	0.561	35%	0.352	S	S	*	.	H	α-helix	trans	-63.8	-41.1	-178.3	-72	-169	-164.6	0	0	112.7	E298 H303 K304	E298-E300 VanDerWaalsContact C-N 3.35Å; E298-E300 PolarHBondContact O-N 3Å; E300-H303 PolarHBondContact O-N 2.81Å; E300-K304 WeakPolarHBondContact O-CD 3.41Å; E300-K304 WeakPolarHBondContact O-CE 3.2Å; E300-K304 WeakPolarHBondContact O-CG 3.37Å; E300-K304 PolarHBondContact O-N 3.44Å; E300-K304 IonicContact OE2-NZ 2.58Å; E300-K304 PolarHBondContact OE2-NZ 3.08Å
301	D	84.1	Confident	82.1	Confident	89 Å²	89	73.9 Å²	73.9	48%	0.476	38%	0.38	S	S	.	.	H	α-helix	trans	-79.2	-32.7	-177.7	-70.2	-13.6	0	0	0	111.9	E298 R299 K304 R305	E298-D301 PolarHBondContact O-N 2.78Å; R299-D301 PolarHBondContact O-N 2.92Å; D301-K304 WeakPolarHBondContact OD1-CD 3.42Å; D301-K304 IonicContact OD1-NZ 3.64Å; D301-K304 PolarHBondContact OD1-NZ 2.83Å; D301-R305 WeakPolarHBondContact O-CB 3.11Å; D301-R305 WeakPolarHBondContact O-CD 3.3Å; D301-R305 WeakPolarHBondContact O-CG 3.22Å; D301-R305 PolarHBondContact O-N 3.28Å
302	I	84.9	Confident	83.3	Confident	23 Å²	23	74.6 Å²	74.6	12%	0.118	39%	0.385	C	S	.	.	H	α-helix	trans	-58.3	-49.4	165.2	-66.6	-170.5	0	0	0	110.4	V294 E298 K304 R305 I306 L351	V294-I302 HydrophobicContact CB-CD1 4.47Å; V294-I302 HydrophobicContact CG1-CD1 3.83Å; V294-I302 HydrophobicContact CG2-CD1 4.05Å; E298-I302 WeakPolarHBondContact O-CG1 3.44Å; E298-I302 PolarHBondContact O-N 2.76Å; E298-I302 VanDerWaalsContact O-N 3.16Å; I302-K304 PolarHBondContact O-N 2.98Å; I302-R305 PolarHBondContact O-N 2.84Å; I302-R305 VanDerWaalsContact O-N 3.14Å; I302-I306 HydrophobicContact CG2-CD1 3.58Å; I302-I306 HydrophobicContact CG2-CG1 4.28Å; I302-I306 WeakPolarHBondContact O-CG1 3.36Å; I302-I306 PolarHBondContact O-N 3.42Å; I302-L351 HydrophobicContact CG1-CD2 3.9Å; I302-L351 HydrophobicContact CG2-CD1 4.2Å
303	H	86.6	Confident	84.4	Confident	90 Å²	90	75.3 Å²	75.3	42%	0.417	40%	0.395	S	S	.	.	H	α-helix	trans	-62.2	-44	-178.9	-169.5	96.8	0	0	0	112.1	R299 E300 R305 I306 Q307	R299-H303 WeakPolarHBondContact O-CB 3.35Å; R299-H303 PolarHBondContact O-N 3.26Å; E300-H303 PolarHBondContact O-N 2.81Å; H303-R305 VanDerWaalsContact C-N 3.3Å; H303-R305 PolarHBondContact O-N 2.89Å; H303-I306 PolarHBondContact O-N 2.66Å; H303-Q307 PolarHBondContact CD2-OE1 3Å; H303-Q307 VanDerWaalsContact CD2-OE1 3.26Å; H303-Q307 PolarHBondContact NE2-NE2 2.99Å; H303-Q307 VanDerWaalsContact NE2-NE2 3.14Å; H303-Q307 PolarHBondContact NE2-OE1 3.01Å; H303-Q307 WeakPolarHBondContact O-CB 3.48Å; H303-Q307 WeakPolarHBondContact O-CG 3.35Å; H303-Q307 PolarHBondContact O-N 3.34Å
304	K	89.8	Confident	85.7	Confident	102 Å²	102	72.7 Å²	72.7	44%	0.443	38%	0.378	S	S	.	.	H	α-helix	trans	-57.4	-41.2	173.2	-70.3	160	-151.5	161.1	0	111.8	E300 D301 I302 K308	E300-K304 WeakPolarHBondContact O-CD 3.41Å; E300-K304 WeakPolarHBondContact O-CE 3.2Å; E300-K304 WeakPolarHBondContact O-CG 3.37Å; E300-K304 PolarHBondContact O-N 3.44Å; E300-K304 IonicContact OE2-NZ 2.58Å; E300-K304 PolarHBondContact OE2-NZ 3.08Å; D301-K304 WeakPolarHBondContact OD1-CD 3.42Å; D301-K304 IonicContact OD1-NZ 3.64Å; D301-K304 PolarHBondContact OD1-NZ 2.83Å; I302-K304 PolarHBondContact O-N 2.98Å; K304-K308 WeakPolarHBondContact O-CB 3.27Å; K304-K308 PolarHBondContact O-N 2.85Å
305	R	91.4	Very high	86.8	Confident	72 Å²	72	73 Å²	73	27%	0.272	38%	0.377	S	S	.	.	H	α-helix	trans	-71.8	-40.7	-179.9	-74.8	167.9	173	-77.1	3.3	113.2	D301 I302 H303 K308 L309 D346 S347 E350 L351	D301-R305 WeakPolarHBondContact O-CB 3.11Å; D301-R305 WeakPolarHBondContact O-CD 3.3Å; D301-R305 WeakPolarHBondContact O-CG 3.22Å; D301-R305 PolarHBondContact O-N 3.28Å; I302-R305 PolarHBondContact O-N 2.84Å; I302-R305 VanDerWaalsContact O-N 3.14Å; H303-R305 VanDerWaalsContact C-N 3.3Å; H303-R305 PolarHBondContact O-N 2.89Å; R305-K308 PolarHBondContact O-N 3Å; R305-L309 PolarHBondContact O-N 2.91Å; R305-D346 PolarHBondContact NH1-O 2.95Å; R305-S347 WeakPolarHBondContact CB-O 3.31Å; R305-S347 WeakPolarHBondContact CD-O 3.14Å; R305-S347 WeakPolarHBondContact CG-O 3.42Å; R305-S347 PolarHBondContact NH1-O 2.99Å; R305-E350 IonicContact CZ-OE2 3.03Å; R305-E350 IonicContact NH1-OE2 3.73Å; R305-E350 PolarHBondContact NH1-OE2 3.18Å; R305-E350 IonicContact NH2-OE2 3.7Å; R305-E350 PolarHBondContact NH2-OE2 3.44Å; R305-L351 HydrophobicContact CB-CD1 4.17Å; R305-L351 HydrophobicContact CB-CD2 4.38Å; R305-L351 HydrophobicContact CB-CG 4.42Å; R305-L351 VanDerWaalsContact CD-CD2 3.47Å
306	I	91.3	Very high	87.9	Confident	6 Å²	6	71.4 Å²	71.4	3%	0.031	37%	0.372	C	S	.	.	H	α-helix	trans	-61.6	-50.1	171.3	-63.9	163.2	0	0	0	109.4	Q281 L289 I302 H303 K308 L309 F310 L351	Q281-I306 HydrophobicContact CG-CG2 3.56Å; L289-I306 HydrophobicContact CD1-CD1 3.61Å; L289-I306 HydrophobicContact CD1-CG1 3.68Å; I302-I306 HydrophobicContact CG2-CD1 3.58Å; I302-I306 HydrophobicContact CG2-CG1 4.28Å; I302-I306 WeakPolarHBondContact O-CG1 3.36Å; I302-I306 PolarHBondContact O-N 3.42Å; H303-I306 PolarHBondContact O-N 2.66Å; I306-K308 VanDerWaalsContact C-N 3.31Å; I306-K308 PolarHBondContact O-N 2.81Å; I306-L309 PolarHBondContact O-N 2.98Å; I306-L309 VanDerWaalsContact O-N 3.11Å; I306-F310 HydrophobicContact CG2-CD2 3.73Å; I306-F310 HydrophobicContact CG2-CE2 4.21Å; I306-F310 WeakPolarHBondContact O-CD2 3.48Å; I306-F310 PolarHBondContact O-N 3.16Å; I306-L351 HydrophobicContact CG1-CD1 4.4Å
307	Q	91.1	Very high	89	Confident	103 Å²	103	65.9 Å²	65.9	48%	0.481	35%	0.347	S	S	.	.	H	α-helix	trans	-60.9	-36	178.2	-76	-172.2	-41.9	0	0	113.1	H303 L309 G311	H303-Q307 PolarHBondContact CD2-OE1 3Å; H303-Q307 VanDerWaalsContact CD2-OE1 3.26Å; H303-Q307 PolarHBondContact NE2-NE2 2.99Å; H303-Q307 VanDerWaalsContact NE2-NE2 3.14Å; H303-Q307 PolarHBondContact NE2-OE1 3.01Å; H303-Q307 WeakPolarHBondContact O-CB 3.48Å; H303-Q307 WeakPolarHBondContact O-CG 3.35Å; H303-Q307 PolarHBondContact O-N 3.34Å; Q307-L309 VanDerWaalsContact C-N 3.33Å; Q307-L309 PolarHBondContact O-N 3.02Å; Q307-G311 WeakPolarHBondContact O-CA 3.46Å; Q307-G311 PolarHBondContact O-N 2.93Å
308	K	93.4	Very high	90.1	Very high	102 Å²	102	62.4 Å²	62.4	44%	0.443	32%	0.319	S	S	.	.	H	α-helix	trans	-61.2	-40.3	174.1	179.1	-180	170.3	-171.2	0	112.1	K304 R305 I306 D346	K304-K308 WeakPolarHBondContact O-CB 3.27Å; K304-K308 PolarHBondContact O-N 2.85Å; R305-K308 PolarHBondContact O-N 3Å; I306-K308 VanDerWaalsContact C-N 3.31Å; I306-K308 PolarHBondContact O-N 2.81Å; K308-D346 WeakPolarHBondContact CE-OD1 3.35Å; K308-D346 PolarHBondContact NZ-O 2.91Å; K308-D346 IonicContact NZ-OD1 3.65Å; K308-D346 PolarHBondContact NZ-OD1 2.85Å; K308-D346 IonicContact NZ-OD2 2.85Å; K308-D346 PolarHBondContact NZ-OD2 3.21Å
309	L	94.7	Very high	91	Very high	3 Å²	3	62.4 Å²	62.4	2%	0.016	32%	0.318	C	S	.	.	H	α-helix	trans	-77.5	-52.7	178.3	-177.4	66.7	0	0	0	112.3	V228 R305 I306 Q307 G311 S312 F340 D342 V348	V228-L309 HydrophobicContact CB-CD2 4.37Å; V228-L309 HydrophobicContact CG1-CD2 3.65Å; V228-L309 HydrophobicContact CG2-CD2 3.87Å; R305-L309 PolarHBondContact O-N 2.91Å; I306-L309 PolarHBondContact O-N 2.98Å; I306-L309 VanDerWaalsContact O-N 3.11Å; Q307-L309 VanDerWaalsContact C-N 3.33Å; Q307-L309 PolarHBondContact O-N 3.02Å; L309-G311 VanDerWaalsContact C-N 3.31Å; L309-G311 PolarHBondContact O-N 2.78Å; L309-S312 VanDerWaalsContact O-CB 3.29Å; L309-S312 WeakPolarHBondContact O-CB 3.39Å; L309-S312 PolarHBondContact O-N 3.23Å; L309-S312 VanDerWaalsContact O-N 3.09Å; L309-S312 PolarHBondContact O-OG 3.37Å; L309-F340 HydrophobicContact CD1-CB 3.9Å; L309-F340 HydrophobicContact CD2-CB 4.15Å; L309-F340 HydrophobicContact CG-CB 3.82Å; L309-D342 HydrophobicContact CD1-CB 4.36Å; L309-V348 HydrophobicContact CB-CG2 3.96Å; L309-V348 HydrophobicContact CD2-CB 3.91Å; L309-V348 HydrophobicContact CD2-CG2 3.57Å; L309-V348 HydrophobicContact CG-CG2 4.4Å
310	F	94.8	Very high	91.9	Very high	16 Å²	16	58.2 Å²	58.2	7%	0.07	30%	0.302	C	S	.	.	H	α-helix	trans	-76.4	-17.3	-175.2	-75.7	-91.8	0	0	0	113.7	P226 V228 L280 Q281 F284 I306 S312 F340	P226-F310 HydrophobicContact CB-CE1 4Å; P226-F310 HydrophobicContact CB-CZ 4.16Å; V228-F310 HydrophobicContact CG2-CE2 4.24Å; V228-F310 HydrophobicContact CG2-CZ 3.87Å; L280-F310 HydrophobicContact CB-CE1 4.3Å; L280-F310 VanDerWaalsContact O-CE1 3.25Å; L280-F310 WeakPolarHBondContact O-CE1 3.35Å; Q281-F310 HydrophobicContact CB-CB 4.38Å; Q281-F310 HydrophobicContact CB-CD1 3.9Å; Q281-F310 HydrophobicContact CB-CE1 4.34Å; Q281-F310 HydrophobicContact CB-CG 4.04Å; Q281-F310 HydrophobicContact CG-CB 4.13Å; Q281-F310 HydrophobicContact CG-CD1 4.25Å; Q281-F310 HydrophobicContact CG-CD2 4.1Å; Q281-F310 HydrophobicContact CG-CG 3.89Å; F284-F310 HydrophobicContact CB-CE2 4.3Å; F284-F310 HydrophobicContact CB-CZ 3.68Å; F284-F310 AromaticContact CD1-CE2 3.73Å; F284-F310 HydrophobicContact CD1-CE2 3.73Å; F284-F310 AromaticContact CD1-CZ 3.91Å; F284-F310 HydrophobicContact CD1-CZ 3.91Å; F284-F310 HydrophobicContact CE1-CE2 4.41Å; F284-F310 HydrophobicContact CG-CE2 4.09Å; F284-F310 AromaticContact CG-CZ 3.76Å; F284-F310 HydrophobicContact CG-CZ 3.76Å; I306-F310 HydrophobicContact CG2-CD2 3.73Å; I306-F310 HydrophobicContact CG2-CE2 4.21Å; I306-F310 WeakPolarHBondContact O-CD2 3.48Å; I306-F310 PolarHBondContact O-N 3.16Å; F310-S312 VanDerWaalsContact C-N 3.33Å; F310-F340 HydrophobicContact CD1-CD1 4.21Å; F310-F340 AromaticContact CD1-CD2 3.94Å; F310-F340 HydrophobicContact CD1-CD2 3.94Å; F310-F340 AromaticContact CD1-CE1 3.94Å; F310-F340 HydrophobicContact CD1-CE1 3.94Å; F310-F340 AromaticContact CD1-CE2 3.65Å; F310-F340 HydrophobicContact CD1-CE2 3.65Å; F310-F340 HydrophobicContact CD1-CG 4.21Å; F310-F340 AromaticContact CD1-CZ 3.65Å; F310-F340 HydrophobicContact CD1-CZ 3.65Å; F310-F340 AromaticContact CE1-CD2 3.64Å; F310-F340 HydrophobicContact CE1-CD2 3.64Å; F310-F340 AromaticContact CE1-CE2 3.54Å; F310-F340 HydrophobicContact CE1-CE2 3.54Å; F310-F340 HydrophobicContact CE1-CG 4.24Å; F310-F340 HydrophobicContact CE1-CZ 4.05Å; F310-F340 HydrophobicContact CZ-CD2 4.33Å
311	G	92.2	Very high	92.5	Very high	69 Å²	69	52.9 Å²	52.9	71%	0.711	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-0.4	166.9	0	0	0	0	0	114.5	Q307 L309	Q307-G311 WeakPolarHBondContact O-CA 3.46Å; Q307-G311 PolarHBondContact O-N 2.93Å; L309-G311 VanDerWaalsContact C-N 3.31Å; L309-G311 PolarHBondContact O-N 2.78Å
312	S	90.4	Very high	93.1	Very high	43 Å²	43	49 Å²	49	30%	0.301	26%	0.257	S	S	.	.	S	Bend	trans	-83.6	164.4	170.8	78.6	0	0	0	0	111.5	L309 F310 G314	L309-S312 VanDerWaalsContact O-CB 3.29Å; L309-S312 WeakPolarHBondContact O-CB 3.39Å; L309-S312 PolarHBondContact O-N 3.23Å; L309-S312 VanDerWaalsContact O-N 3.09Å; L309-S312 PolarHBondContact O-OG 3.37Å; F310-S312 VanDerWaalsContact C-N 3.33Å; S312-G314 PolarHBondContact O-N 2.92Å
313	T	88.3	Confident	93.6	Very high	131 Å²	131	49.2 Å²	49.2	80%	0.804	26%	0.258	S	S	*	.			trans	-68.3	92	177.1	-49.6	0	0	0	0	111.4
314	G	92.6	Very high	94	Very high	9 Å²	9	45 Å²	45	9%	0.093	24%	0.239	C	C	.	.			trans	-64.2	145.2	172.3	0	0	0	0	0	112.9	S312	S312-G314 PolarHBondContact O-N 2.92Å
315	F	93.5	Very high	94.2	Very high	31 Å²	31	41.2 Å²	41.2	14%	0.136	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115.6	176.9	169.8	-106.3	0	0	0	110.2	I107 V317 V338 N339 E387	I107-F315 HydrophobicContact CD1-CE2 3.54Å; I107-F315 HydrophobicContact CD1-CZ 3.73Å; F315-V317 HydrophobicContact CD1-CB 4.5Å; F315-V317 HydrophobicContact CD1-CG2 3.77Å; F315-V317 HydrophobicContact CE1-CB 4.33Å; F315-V317 HydrophobicContact CE1-CG2 4.01Å; F315-V317 PolarHBondContact O-N 3.18Å; F315-V317 VanDerWaalsContact O-N 3.08Å; F315-V338 CarbonylContact O-C 3.59Å; F315-V338 WeakPolarHBondContact O-CA 3.29Å; F315-N339 HydrophobicContact CB-CB 4.42Å; F315-N339 HydrophobicContact CD1-CB 4.24Å; F315-N339 PolarHBondContact N-O 2.62Å; F315-N339 PolarHBondContact O-N 3.04Å; F315-E387 HydrophobicContact CD1-CG 4.12Å; F315-E387 HydrophobicContact CD2-CG 4.14Å; F315-E387 HydrophobicContact CE1-CB 3.94Å; F315-E387 HydrophobicContact CE1-CG 3.76Å; F315-E387 HydrophobicContact CE2-CG 3.77Å; F315-E387 HydrophobicContact CG-CG 4.31Å; F315-E387 HydrophobicContact CZ-CB 4Å; F315-E387 HydrophobicContact CZ-CG 3.57Å
316	Q	97.5	Very high	94.5	Very high	92 Å²	92	40.1 Å²	40.1	43%	0.43	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	103.8	175.4	-168.9	-164.3	-106.4	0	0	109.8	V336 V337	Q316-V336 HydrophobicContact CG-CG1 4.07Å; Q316-V337 CarbonylContact C-O 3.55Å
317	V	97.4	Very high	94.8	Very high	16 Å²	16	39.9 Å²	39.9	10%	0.097	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-44.4	-177.1	-175.6	0	0	0	0	111	F315 V337 N339 F380 L383 V384	F315-V317 HydrophobicContact CD1-CB 4.5Å; F315-V317 HydrophobicContact CD1-CG2 3.77Å; F315-V317 HydrophobicContact CE1-CB 4.33Å; F315-V317 HydrophobicContact CE1-CG2 4.01Å; F315-V317 PolarHBondContact O-N 3.18Å; F315-V317 VanDerWaalsContact O-N 3.08Å; V317-V337 HydrophobicContact CB-CB 4.06Å; V317-V337 HydrophobicContact CB-CG1 3.92Å; V317-V337 HydrophobicContact CG1-CG1 4.43Å; V317-V337 HydrophobicContact CG2-CG1 4.16Å; V317-V337 PolarHBondContact N-O 3.33Å; V317-N339 HydrophobicContact CG2-CB 3.65Å; V317-F380 HydrophobicContact CG1-CB 4.44Å; V317-F380 WeakPolarHBondContact CG1-O 3.48Å; V317-L383 HydrophobicContact CG1-CB 3.59Å; V317-L383 HydrophobicContact CG1-CD1 4.01Å; V317-L383 HydrophobicContact CG1-CG 4.46Å; V317-V384 HydrophobicContact CB-CG2 4.28Å; V317-V384 HydrophobicContact CG1-CG2 3.83Å; V317-V384 HydrophobicContact CG2-CG2 3.37Å
318	Y	97.6	Very high	95.2	Very high	22 Å²	22	35 Å²	35	9%	0.086	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	150.2	-173.8	-178.7	-103.8	0	0	0	110.6	G320 Y321 T335 V337 F380	Y318-G320 VanDerWaalsContact OH-C 3.29Å; Y318-G320 WeakPolarHBondContact OH-CA 3.41Å; Y318-Y321 PolarHBondContact OH-N 3.34Å; Y318-Y321 VanDerWaalsContact OH-N 3.09Å; Y318-Y321 PolarHBondContact OH-O 3.09Å; Y318-T335 HydrophobicContact CD1-CG2 4.14Å; Y318-T335 HydrophobicContact CE1-CG2 4.46Å; Y318-V337 HydrophobicContact CD1-CG2 4.12Å; Y318-V337 HydrophobicContact CG-CG2 4.46Å; Y318-V337 PolarHBondContact N-O 3.22Å; Y318-V337 PolarHBondContact O-N 3.43Å; Y318-F380 HydrophobicContact CD1-CD1 4.34Å; Y318-F380 AromaticContact CD1-CE1 3.42Å; Y318-F380 HydrophobicContact CD1-CE1 3.42Å; Y318-F380 VanDerWaalsContact CD1-CE1 3.42Å; Y318-F380 AromaticContact CD1-CZ 3.73Å; Y318-F380 HydrophobicContact CD1-CZ 3.73Å; Y318-F380 HydrophobicContact CD2-CE1 4.37Å; Y318-F380 HydrophobicContact CE1-CE1 4.04Å; Y318-F380 HydrophobicContact CE1-CZ 4.22Å; Y318-F380 HydrophobicContact CG-CD1 4.17Å; Y318-F380 AromaticContact CG-CE1 3.62Å; Y318-F380 HydrophobicContact CG-CE1 3.62Å; Y318-F380 HydrophobicContact CG-CZ 4.37Å
319	K	97.4	Very high	95.4	Very high	82 Å²	82	30.2 Å²	30.2	36%	0.357	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	115.3	171	178.2	164.7	-177.9	172.5	0	108.8	F189 T335 V336	F189-K319 HydrophobicContact CB-CG 4.01Å; F189-K319 HydrophobicContact CD1-CD 4.49Å; F189-K319 HydrophobicContact CD1-CG 4.42Å; F189-K319 HydrophobicContact CD2-CD 4.28Å; F189-K319 HydrophobicContact CD2-CG 3.52Å; F189-K319 HydrophobicContact CE2-CG 4.05Å; F189-K319 HydrophobicContact CG-CD 4.27Å; F189-K319 VanDerWaalsContact CG-CE 3.47Å; F189-K319 HydrophobicContact CG-CG 3.72Å; K319-T335 WeakPolarHBondContact CA-O 3.34Å; K319-V336 HydrophobicContact CD-CG1 4.49Å; K319-V336 HydrophobicContact CD-CG2 4.02Å; K319-V336 HydrophobicContact CG-CG2 4.12Å
320	G	97.1	Very high	95.6	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.6	-162.3	-173.1	0	0	0	0	0	114.3	Y318 E334 T335	Y318-G320 VanDerWaalsContact OH-C 3.29Å; Y318-G320 WeakPolarHBondContact OH-CA 3.41Å; G320-E334 CarbonylContact O-C 3.55Å; G320-E334 VanDerWaalsContact O-CA 3.26Å; G320-E334 WeakPolarHBondContact O-CA 3.49Å; G320-E334 WeakPolarHBondContact O-CB 3.48Å; G320-T335 PolarHBondContact N-O 2.64Å; G320-T335 PolarHBondContact O-N 3.33Å
321	Y	97.4	Very high	95.8	Very high	9 Å²	9	29.6 Å²	29.6	4%	0.035	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	135	-179.2	-173.1	-85.4	0	0	0	114.2	H117 E190 N202 P203 R204 Y318 N327 W332	H117-Y321 HydrophobicContact CB-CE1 4.44Å; H117-Y321 AromaticContact ND1-CZ 3.89Å; H117-Y321 PolarHBondContact ND1-OH 3.45Å; E190-Y321 WeakPolarHBondContact OE1-CB 3.3Å; E190-Y321 PolarHBondContact OE1-N 2.87Å; N202-Y321 VanDerWaalsContact CG-OH 3.28Å; N202-Y321 PolarHBondContact ND2-OH 2.78Å; N202-Y321 WeakPolarHBondContact OD1-CE2 3.45Å; N202-Y321 PolarHBondContact OD1-OH 3.03Å; P203-Y321 HydrophobicContact CG-CD2 3.98Å; P203-Y321 HydrophobicContact CG-CE2 4.2Å; R204-Y321 HydrophobicContact CB-CD1 4.36Å; R204-Y321 HydrophobicContact CB-CE1 3.88Å; R204-Y321 HydrophobicContact CB-CE2 4.05Å; R204-Y321 HydrophobicContact CG-CD1 3.5Å; R204-Y321 HydrophobicContact CG-CD2 3.7Å; R204-Y321 HydrophobicContact CG-CE1 3.54Å; R204-Y321 HydrophobicContact CG-CE2 3.71Å; R204-Y321 HydrophobicContact CG-CG 3.56Å; Y318-Y321 PolarHBondContact OH-N 3.34Å; Y318-Y321 VanDerWaalsContact OH-N 3.09Å; Y318-Y321 PolarHBondContact OH-O 3.09Å; Y321-N327 PolarHBondContact OH-ND2 3.05Å; Y321-W332 HydrophobicContact CD2-CB 4.39Å; Y321-W332 AromaticContact CD2-CD1 3.51Å; Y321-W332 HydrophobicContact CD2-CG 4.06Å; Y321-W332 HydrophobicContact CE2-CB 3.7Å; Y321-W332 AromaticContact CE2-CD1 3.63Å; Y321-W332 AromaticContact CE2-CG 3.69Å; Y321-W332 HydrophobicContact CE2-CG 3.69Å
322	V	95.9	Very high	96.1	Very high	6 Å²	6	26.3 Å²	26.3	4%	0.036	14%	0.139	C	C	.	.			trans	-101.7	129.6	171.2	-171.6	0	0	0	0	110.1	D324 N327 M333 T335 A375	V322-D324 VanDerWaalsContact C-N 3.33Å; V322-D324 HydrophobicContact CG1-CB 4.22Å; V322-D324 PolarHBondContact O-N 3.27Å; V322-N327 PolarHBondContact O-ND2 2.76Å; V322-M333 HydrophobicContact CB-CB 3.98Å; V322-M333 HydrophobicContact CG2-CB 4.49Å; V322-M333 PolarHBondContact N-O 3.22Å; V322-T335 HydrophobicContact CG2-CG2 3.44Å; V322-T335 VanDerWaalsContact CG2-CG2 3.44Å; V322-A375 HydrophobicContact CG1-CB 3.96Å
323	D	95.3	Very high	96.5	Very high	29 Å²	29	24.5 Å²	24.5	16%	0.155	13%	0.126	C	C	.	.			trans	-76.1	87.9	168.9	-176.3	27.2	0	0	0	109.6	H117 V118 K119 S120	H117-D323 HydrophobicContact CB-CB 4.44Å; H117-D323 WeakPolarHBondContact CB-OD1 3.38Å; V118-D323 PolarHBondContact N-OD1 2.89Å; V118-D323 PolarHBondContact N-OD2 2.61Å; K119-D323 WeakPolarHBondContact CB-O 3.03Å; K119-D323 WeakPolarHBondContact CD-O 3.5Å; K119-D323 PolarHBondContact N-OD1 3.05Å; K119-D323 VanDerWaalsContact N-OD1 3.16Å; K119-D323 PolarHBondContact N-OD2 3.37Å; S120-D323 VanDerWaalsContact CB-OD1 3.31Å; S120-D323 WeakPolarHBondContact CB-OD1 3.32Å; S120-D323 PolarHBondContact N-OD1 1.79Å; S120-D323 PolarHBondContact OG-OD1 2.93Å
324	D	94.6	Very high	97	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.011	9%	0.088	C	C	.	.			trans	-115.1	137	-171.2	-172	-70.1	0	0	0	110.5	V322 R326 N327 M333 Y374	V322-D324 VanDerWaalsContact C-N 3.33Å; V322-D324 HydrophobicContact CG1-CB 4.22Å; V322-D324 PolarHBondContact O-N 3.27Å; D324-R326 PolarHBondContact O-N 2.79Å; D324-R326 VanDerWaalsContact O-N 3.08Å; D324-R326 WeakPolarHBondContact OD1-CB 3.47Å; D324-R326 VanDerWaalsContact OD1-CG 3.24Å; D324-R326 WeakPolarHBondContact OD1-CG 3.39Å; D324-R326 IonicContact OD1-CZ 2.82Å; D324-R326 PolarHBondContact OD1-N 3.49Å; D324-R326 IonicContact OD1-NE 3.82Å; D324-R326 PolarHBondContact OD1-NE 3.31Å; D324-R326 IonicContact OD1-NH2 3.71Å; D324-R326 IonicContact OD2-CZ 3.13Å; D324-R326 IonicContact OD2-NE 2.71Å; D324-R326 PolarHBondContact OD2-NE 3.3Å; D324-R326 IonicContact OD2-NH2 2.68Å; D324-R326 PolarHBondContact OD2-NH2 3.49Å; D324-N327 PolarHBondContact N-ND2 3.41Å; D324-N327 VanDerWaalsContact O-CB 3.24Å; D324-N327 WeakPolarHBondContact O-CB 3.29Å; D324-N327 VanDerWaalsContact O-CG 3.22Å; D324-N327 PolarHBondContact O-N 3.11Å; D324-N327 PolarHBondContact O-ND2 2.93Å; D324-M333 HydrophobicContact CB-CB 3.97Å; D324-M333 HydrophobicContact CB-CG 3.72Å; D324-Y374 PolarHBondContact OD2-OH 2.93Å
325	P	94.3	Very high	97.2	Very high	22 Å²	22	17.9 Å²	17.9	14%	0.143	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-11	-178.3	29.8	-37.3	0	0	0	114.4	K119 P126 R132 Y374	K119-P325 WeakPolarHBondContact O-CA 3.35Å; P126-P325 WeakPolarHBondContact CD-O 3.49Å; P126-P325 HydrophobicContact CG-CB 3.8Å; P126-P325 HydrophobicContact CG-CG 4.13Å; P126-P325 WeakPolarHBondContact CG-O 3.43Å; R132-P325 PolarHBondContact NH2-O 3.44Å; P325-Y374 HydrophobicContact CG-CE2 4.38Å
326	R	96.9	Very high	97.5	Very high	49 Å²	49	16.7 Å²	16.7	19%	0.185	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-15.7	171	-60.3	169.8	-75.2	175.4	-5.3	113.3	Y125 P126 L215 D324	Y125-R326 VanDerWaalsContact CE2-O 3.3Å; Y125-R326 WeakPolarHBondContact CE2-O 3.37Å; Y125-R326 WeakPolarHBondContact OH-CA 3.38Å; Y125-R326 PolarHBondContact OH-O 3.24Å; P126-R326 HydrophobicContact CG-CG 4.44Å; L215-R326 HydrophobicContact CD2-CB 3.95Å; L215-R326 HydrophobicContact CG-CB 4.2Å; D324-R326 PolarHBondContact O-N 2.79Å; D324-R326 VanDerWaalsContact O-N 3.08Å; D324-R326 WeakPolarHBondContact OD1-CB 3.47Å; D324-R326 VanDerWaalsContact OD1-CG 3.24Å; D324-R326 WeakPolarHBondContact OD1-CG 3.39Å; D324-R326 IonicContact OD1-CZ 2.82Å; D324-R326 PolarHBondContact OD1-N 3.49Å; D324-R326 IonicContact OD1-NE 3.82Å; D324-R326 PolarHBondContact OD1-NE 3.31Å; D324-R326 IonicContact OD1-NH2 3.71Å; D324-R326 IonicContact OD2-CZ 3.13Å; D324-R326 IonicContact OD2-NE 2.71Å; D324-R326 PolarHBondContact OD2-NE 3.3Å; D324-R326 IonicContact OD2-NH2 2.68Å; D324-R326 PolarHBondContact OD2-NH2 3.49Å
327	N	98.6	Very high	97.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.059	C	C	.	.			trans	-59.8	144.4	-177	-70.9	-14.7	0	0	0	112.6	S120 R132 Y321 V322 D324 W332 M333	S120-N327 PolarHBondContact OG-ND2 2.83Å; R132-N327 PolarHBondContact NH1-O 3.07Å; R132-N327 PolarHBondContact NH2-O 2.63Å; Y321-N327 PolarHBondContact OH-ND2 3.05Å; V322-N327 PolarHBondContact O-ND2 2.76Å; D324-N327 PolarHBondContact N-ND2 3.41Å; D324-N327 VanDerWaalsContact O-CB 3.24Å; D324-N327 WeakPolarHBondContact O-CB 3.29Å; D324-N327 VanDerWaalsContact O-CG 3.22Å; D324-N327 PolarHBondContact O-N 3.11Å; D324-N327 PolarHBondContact O-ND2 2.93Å; N327-W332 HydrophobicContact CB-CB 4.43Å; N327-W332 VanDerWaalsContact OD1-CA 3.25Å; N327-W332 WeakPolarHBondContact OD1-CA 3.13Å; N327-M333 PolarHBondContact OD1-N 2.58Å
328	T	98.8	Very high	97.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.058	C	C	.	.			trans	-131	176.4	176.8	80.8	0	0	0	0	109.8	Y125 N202 T207 L209 G211 N330 A331	Y125-T328 HydrophobicContact CE2-CG2 4.1Å; N202-T328 WeakPolarHBondContact CB-O 3.46Å; N202-T328 PolarHBondContact ND2-O 3.43Å; T207-T328 VanDerWaalsContact CG2-C 3.48Å; T207-T328 VanDerWaalsContact OG1-CA 3.28Å; T207-T328 WeakPolarHBondContact OG1-CA 3.28Å; L209-T328 HydrophobicContact CD2-CG2 3.48Å; L209-T328 VanDerWaalsContact CD2-CG2 3.48Å; L209-T328 WeakPolarHBondContact O-CB 3.45Å; G211-T328 WeakPolarHBondContact O-CB 3.25Å; G211-T328 PolarHBondContact O-OG1 3.25Å; T328-N330 PolarHBondContact O-N 2.88Å; T328-N330 PolarHBondContact OG1-N 2.81Å; T328-A331 PolarHBondContact N-O 3.36Å; T328-A331 PolarHBondContact OG1-N 2.82Å; T328-A331 PolarHBondContact OG1-O 3.02Å
329	D	98.8	Very high	97.6	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.011	5%	0.054	C	C	.	.	S	Bend	trans	-63	-21.3	173.1	-67.7	2.8	0	0	0	112.5	W142 Y149 L201 N202 T207 L209 T210	W142-D329 HydrophobicContact CH2-CB 3.92Å; W142-D329 HydrophobicContact CZ2-CB 4.11Å; Y149-D329 WeakPolarHBondContact CE1-OD2 3.41Å; Y149-D329 VanDerWaalsContact OH-CG 3.23Å; Y149-D329 PolarHBondContact OH-OD1 2.75Å; Y149-D329 VanDerWaalsContact OH-OD1 3.11Å; Y149-D329 PolarHBondContact OH-OD2 3.09Å; L201-D329 CarbonylContact C-O 3.49Å; L201-D329 WeakPolarHBondContact CA-O 3.4Å; N202-D329 PolarHBondContact N-O 3.01Å; T207-D329 WeakPolarHBondContact CA-OD1 3.38Å; T207-D329 WeakPolarHBondContact CB-OD1 3.28Å; T207-D329 PolarHBondContact N-OD1 2.84Å; T207-D329 PolarHBondContact OG1-N 2.74Å; T207-D329 PolarHBondContact OG1-OD1 3.05Å; L209-D329 WeakPolarHBondContact O-CB 3.38Å; L209-D329 VanDerWaalsContact O-CG 3.28Å; L209-D329 PolarHBondContact O-N 3.33Å; T210-D329 HydrophobicContact CG2-CB 3.96Å
330	N	98.8	Very high	97.6	Very high	7 Å²	7	7.6 Å²	7.6	4%	0.037	4%	0.038	C	C	.	.	S	Bend	trans	-127.6	3.8	-171.9	-43.9	124.7	0	0	0	115.2	P200 T210 G211 W218 G219 T328	P200-N330 WeakPolarHBondContact CG-O 3.14Å; P200-N330 WeakPolarHBondContact O-CA 3.47Å; P200-N330 PolarHBondContact O-ND2 2.86Å; T210-N330 WeakPolarHBondContact CB-OD1 3.22Å; G211-N330 PolarHBondContact N-OD1 3.45Å; W218-N330 HydrophobicContact CE3-CB 3.81Å; W218-N330 HydrophobicContact CZ3-CB 3.77Å; G219-N330 PolarHBondContact N-O 3.43Å; T328-N330 PolarHBondContact O-N 2.88Å; T328-N330 PolarHBondContact OG1-N 2.81Å
331	A	98.8	Very high	97.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	138.9	172.9	0	0	0	0	0	109.8	R212 L215 R217 G219 T328	R212-A331 HydrophobicContact CB-CB 4.2Å; R212-A331 HydrophobicContact CG-CB 4.2Å; L215-A331 HydrophobicContact CB-CB 3.91Å; L215-A331 HydrophobicContact CD1-CB 3.82Å; L215-A331 HydrophobicContact CG-CB 4.46Å; R217-A331 WeakPolarHBondContact O-CB 3.26Å; G219-A331 CarbonylContact O-C 3.48Å; G219-A331 VanDerWaalsContact O-CA 3.29Å; G219-A331 WeakPolarHBondContact O-CA 3.49Å; T328-A331 PolarHBondContact N-O 3.36Å; T328-A331 PolarHBondContact OG1-N 2.82Å; T328-A331 PolarHBondContact OG1-O 3.02Å
332	W	98.8	Very high	97.6	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	157.9	-179.7	60.1	90.7	0	0	0	112.5	Y193 P200 N202 P203 G219 P220 N221 Y321 N327 E334	Y193-W332 AromaticContact CD1-CH2 3.86Å; Y193-W332 HydrophobicContact CD1-CH2 3.86Å; Y193-W332 AromaticContact CD1-CZ2 3.65Å; Y193-W332 HydrophobicContact CD1-CZ2 3.65Å; Y193-W332 AromaticContact CD2-CH2 3.9Å; Y193-W332 HydrophobicContact CD2-CH2 3.9Å; Y193-W332 HydrophobicContact CE1-CH2 4.3Å; Y193-W332 HydrophobicContact CE1-CZ2 4.12Å; Y193-W332 HydrophobicContact CE2-CH2 4.35Å; Y193-W332 AromaticContact CG-CH2 3.64Å; Y193-W332 HydrophobicContact CG-CH2 3.64Å; Y193-W332 AromaticContact CG-CZ2 3.88Å; Y193-W332 HydrophobicContact CG-CZ2 3.88Å; P200-W332 HydrophobicContact CB-CH2 4.06Å; P200-W332 HydrophobicContact CB-CZ3 4.09Å; P200-W332 HydrophobicContact CG-CZ3 4.41Å; N202-W332 HydrophobicContact CB-CE3 4.04Å; N202-W332 HydrophobicContact CB-CZ3 4.46Å; P203-W332 VanDerWaalsContact CD-CZ2 3.48Å; P203-W332 HydrophobicContact CG-CD2 4.48Å; P203-W332 HydrophobicContact CG-CZ2 4.05Å; G219-W332 PolarHBondContact O-N 3.22Å; P220-W332 CarbonylContact C-O 3.55Å; P220-W332 HydrophobicContact CB-CZ2 4.36Å; P220-W332 HydrophobicContact CG-CZ2 4.48Å; N221-W332 PolarHBondContact N-O 2.81Å; Y321-W332 HydrophobicContact CD2-CB 4.39Å; Y321-W332 AromaticContact CD2-CD1 3.51Å; Y321-W332 HydrophobicContact CD2-CG 4.06Å; Y321-W332 HydrophobicContact CE2-CB 3.7Å; Y321-W332 AromaticContact CE2-CD1 3.63Å; Y321-W332 AromaticContact CE2-CG 3.69Å; Y321-W332 HydrophobicContact CE2-CG 3.69Å; N327-W332 HydrophobicContact CB-CB 4.43Å; N327-W332 VanDerWaalsContact OD1-CA 3.25Å; N327-W332 WeakPolarHBondContact OD1-CA 3.13Å; W332-E334 PolarHBondContact NE1-OE1 3.23Å
333	M	98.3	Very high	97.5	Very high	5 Å²	5	13.1 Å²	13.1	3%	0.025	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	133.7	174	-68	-57.5	-52.5	0	0	111.4	L215 N221 A223 M269 V322 D324 N327	L215-M333 HydrophobicContact CD2-CG 4.34Å; L215-M333 HydrophobicContact CD2-SD 3.57Å; L215-M333 VanDerWaalsContact CD2-SD 3.57Å; N221-M333 HydrophobicContact CB-SD 4.23Å; A223-M333 HydrophobicContact CB-CE 3.74Å; M269-M333 HydrophobicContact CE-CE 3.95Å; M269-M333 HydrophobicContact CE-SD 4.31Å; M269-M333 HydrophobicContact SD-CE 3.86Å; M269-M333 HydrophobicContact SD-SD 4.46Å; V322-M333 HydrophobicContact CB-CB 3.98Å; V322-M333 HydrophobicContact CG2-CB 4.49Å; V322-M333 PolarHBondContact N-O 3.22Å; D324-M333 HydrophobicContact CB-CB 3.97Å; D324-M333 HydrophobicContact CB-CG 3.72Å; N327-M333 PolarHBondContact OD1-N 2.58Å
334	E	98.3	Very high	97.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.2	162.1	-60.8	-168.5	-176.7	0	0	108.6	S188 F189 P220 N221 H222 A223 G320 W332	S188-E334 WeakPolarHBondContact CA-OE2 3.38Å; S188-E334 WeakPolarHBondContact CB-OE1 3.38Å; S188-E334 PolarHBondContact OG-OE1 3.42Å; S188-E334 PolarHBondContact OG-OE2 3.4Å; F189-E334 WeakPolarHBondContact CB-OE2 3.29Å; F189-E334 HydrophobicContact CD2-CB 4.1Å; F189-E334 HydrophobicContact CE2-CB 4.36Å; F189-E334 WeakPolarHBondContact CG-OE2 3.35Å; F189-E334 PolarHBondContact N-OE2 3Å; P220-E334 HydrophobicContact CB-CG 4.05Å; N221-E334 PolarHBondContact O-N 2.79Å; N221-E334 VanDerWaalsContact O-N 3.1Å; H222-E334 CarbonylContact C-O 3.57Å; H222-E334 WeakPolarHBondContact CA-O 3.35Å; H222-E334 IonicContact CE1-OE2 3.79Å; A223-E334 PolarHBondContact N-O 3.09Å; G320-E334 CarbonylContact O-C 3.55Å; G320-E334 VanDerWaalsContact O-CA 3.26Å; G320-E334 WeakPolarHBondContact O-CA 3.49Å; G320-E334 WeakPolarHBondContact O-CB 3.48Å; W332-E334 PolarHBondContact NE1-OE1 3.23Å
335	T	98.1	Very high	97.4	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	159.4	-179.9	-168.7	0	0	0	0	112.5	A223 D225 Y318 K319 G320 V322 V337 F380	A223-T335 WeakPolarHBondContact O-CA 3.38Å; A223-T335 PolarHBondContact O-OG1 3.18Å; D225-T335 WeakPolarHBondContact OD2-CB 3.3Å; D225-T335 WeakPolarHBondContact OD2-CG2 3.3Å; D225-T335 PolarHBondContact OD2-OG1 2.96Å; Y318-T335 HydrophobicContact CD1-CG2 4.14Å; Y318-T335 HydrophobicContact CE1-CG2 4.46Å; K319-T335 WeakPolarHBondContact CA-O 3.34Å; G320-T335 PolarHBondContact N-O 2.64Å; G320-T335 PolarHBondContact O-N 3.33Å; V322-T335 HydrophobicContact CG2-CG2 3.44Å; V322-T335 VanDerWaalsContact CG2-CG2 3.44Å; T335-V337 HydrophobicContact CG2-CG2 3.62Å; T335-F380 HydrophobicContact CG2-CE2 4.18Å; T335-F380 HydrophobicContact CG2-CZ 4.03Å
336	V	98.2	Very high	97.2	Very high	6 Å²	6	19 Å²	19	4%	0.036	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	114.3	160.3	-170.7	0	0	0	0	108.2	F189 A223 A224 D225 V276 Q316 K319 V338	F189-V336 HydrophobicContact CD2-CG2 4.44Å; F189-V336 HydrophobicContact CE2-CG2 3.55Å; F189-V336 HydrophobicContact CZ-CG2 3.84Å; A223-V336 PolarHBondContact O-N 3.02Å; A223-V336 VanDerWaalsContact O-N 3.16Å; A224-V336 WeakPolarHBondContact CA-O 3.5Å; D225-V336 PolarHBondContact N-O 2.84Å; V276-V336 HydrophobicContact CG1-CB 3.73Å; V276-V336 HydrophobicContact CG1-CG1 4.09Å; V276-V336 HydrophobicContact CG1-CG2 3.96Å; V276-V336 HydrophobicContact CG2-CG2 4.34Å; Q316-V336 HydrophobicContact CG-CG1 4.07Å; K319-V336 HydrophobicContact CD-CG1 4.49Å; K319-V336 HydrophobicContact CD-CG2 4.02Å; K319-V336 HydrophobicContact CG-CG2 4.12Å; V336-V338 HydrophobicContact CG1-CG2 4.1Å
337	V	98.3	Very high	96.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.8	179.1	-168.6	0	0	0	0	109	D225 V227 Q316 V317 Y318 T335 F380	D225-V337 HydrophobicContact CB-CB 4.22Å; D225-V337 HydrophobicContact CB-CG1 3.96Å; D225-V337 HydrophobicContact CB-CG2 4.03Å; D225-V337 WeakPolarHBondContact O-CA 3.16Å; V227-V337 HydrophobicContact CG2-CG1 3.51Å; Q316-V337 CarbonylContact C-O 3.55Å; V317-V337 HydrophobicContact CB-CB 4.06Å; V317-V337 HydrophobicContact CB-CG1 3.92Å; V317-V337 HydrophobicContact CG1-CG1 4.43Å; V317-V337 HydrophobicContact CG2-CG1 4.16Å; V317-V337 PolarHBondContact N-O 3.33Å; Y318-V337 HydrophobicContact CD1-CG2 4.12Å; Y318-V337 HydrophobicContact CG-CG2 4.46Å; Y318-V337 PolarHBondContact N-O 3.22Å; Y318-V337 PolarHBondContact O-N 3.43Å; T335-V337 HydrophobicContact CG2-CG2 3.62Å; V337-F380 HydrophobicContact CG1-CB 4.16Å; V337-F380 HydrophobicContact CG1-CD2 4.18Å; V337-F380 HydrophobicContact CG1-CG 4.23Å; V337-F380 HydrophobicContact CG2-CD1 4.15Å; V337-F380 HydrophobicContact CG2-CD2 3.6Å; V337-F380 HydrophobicContact CG2-CE1 4.1Å; V337-F380 HydrophobicContact CG2-CE2 3.54Å; V337-F380 HydrophobicContact CG2-CG 3.92Å; V337-F380 HydrophobicContact CG2-CZ 3.8Å
338	V	98.4	Very high	96.4	Very high	13 Å²	13	16.8 Å²	16.8	8%	0.079	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125.4	179.3	-175.7	0	0	0	0	110.2	D225 V227 L280 F315 V336 F340	D225-V338 PolarHBondContact O-N 3.37Å; V227-V338 PolarHBondContact N-O 3.29Å; L280-V338 HydrophobicContact CD1-CB 3.81Å; L280-V338 HydrophobicContact CD1-CG2 3.51Å; L280-V338 HydrophobicContact CD2-CB 4.25Å; L280-V338 HydrophobicContact CD2-CG2 4.4Å; F315-V338 CarbonylContact O-C 3.59Å; F315-V338 WeakPolarHBondContact O-CA 3.29Å; V336-V338 HydrophobicContact CG1-CG2 4.1Å; V338-F340 HydrophobicContact CB-CE2 3.82Å; V338-F340 HydrophobicContact CB-CZ 4.22Å; V338-F340 HydrophobicContact CG1-CD2 4.13Å; V338-F340 HydrophobicContact CG1-CE1 4.2Å; V338-F340 HydrophobicContact CG1-CE2 3.56Å; V338-F340 HydrophobicContact CG1-CZ 3.61Å
339	N	98.4	Very high	95.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	117.6	172.9	168.4	-123.3	0	0	0	110.7	V227 T229 F315 V317 V384 R388	V227-N339 HydrophobicContact CB-CB 4.3Å; V227-N339 VanDerWaalsContact O-CA 3.29Å; V227-N339 WeakPolarHBondContact O-CA 3.32Å; V227-N339 PolarHBondContact O-ND2 2.96Å; T229-N339 WeakPolarHBondContact CG2-ND2 3.45Å; T229-N339 PolarHBondContact OG1-ND2 3.36Å; F315-N339 HydrophobicContact CB-CB 4.42Å; F315-N339 HydrophobicContact CD1-CB 4.24Å; F315-N339 PolarHBondContact N-O 2.62Å; F315-N339 PolarHBondContact O-N 3.04Å; V317-N339 HydrophobicContact CG2-CB 3.65Å; N339-V384 HydrophobicContact CB-CG1 4.35Å; N339-V384 HydrophobicContact CB-CG2 3.79Å; N339-R388 VanDerWaalsContact OD1-CZ 3.28Å; N339-R388 PolarHBondContact OD1-NE 3.35Å; N339-R388 PolarHBondContact OD1-NH2 2.9Å
340	F	98	Very high	95.3	Very high	8 Å²	8	22.9 Å²	22.9	4%	0.035	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.8	166.8	-58.7	-89.6	0	0	0	108.1	V227 V228 T229 L280 L309 F310 V338	V227-F340 PolarHBondContact O-N 2.95Å; V228-F340 WeakPolarHBondContact CA-O 3.14Å; T229-F340 PolarHBondContact N-O 2.78Å; L280-F340 HydrophobicContact CB-CE2 4.24Å; L280-F340 HydrophobicContact CD1-CE2 4.22Å; L280-F340 HydrophobicContact CD1-CZ 4.25Å; L309-F340 HydrophobicContact CD1-CB 3.9Å; L309-F340 HydrophobicContact CD2-CB 4.15Å; L309-F340 HydrophobicContact CG-CB 3.82Å; F310-F340 HydrophobicContact CD1-CD1 4.21Å; F310-F340 AromaticContact CD1-CD2 3.94Å; F310-F340 HydrophobicContact CD1-CD2 3.94Å; F310-F340 AromaticContact CD1-CE1 3.94Å; F310-F340 HydrophobicContact CD1-CE1 3.94Å; F310-F340 AromaticContact CD1-CE2 3.65Å; F310-F340 HydrophobicContact CD1-CE2 3.65Å; F310-F340 HydrophobicContact CD1-CG 4.21Å; F310-F340 AromaticContact CD1-CZ 3.65Å; F310-F340 HydrophobicContact CD1-CZ 3.65Å; F310-F340 AromaticContact CE1-CD2 3.64Å; F310-F340 HydrophobicContact CE1-CD2 3.64Å; F310-F340 AromaticContact CE1-CE2 3.54Å; F310-F340 HydrophobicContact CE1-CE2 3.54Å; F310-F340 HydrophobicContact CE1-CG 4.24Å; F310-F340 HydrophobicContact CE1-CZ 4.05Å; F310-F340 HydrophobicContact CZ-CD2 4.33Å; V338-F340 HydrophobicContact CB-CE2 3.82Å; V338-F340 HydrophobicContact CB-CZ 4.22Å; V338-F340 HydrophobicContact CG1-CD2 4.13Å; V338-F340 HydrophobicContact CG1-CE1 4.2Å; V338-F340 HydrophobicContact CG1-CE2 3.56Å; V338-F340 HydrophobicContact CG1-CZ 3.61Å
341	H	97.6	Very high	94.7	Very high	21 Å²	21	23.3 Å²	23.3	10%	0.097	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	120.5	-169.2	-173.9	56.4	0	0	0	113	T229 W231 E343 R388	T229-H341 WeakPolarHBondContact O-CA 3.46Å; T229-H341 PolarHBondContact O-ND1 2.88Å; T229-H341 VanDerWaalsContact O-ND1 3.13Å; T229-H341 PolarHBondContact OG1-ND1 3.13Å; W231-H341 AromaticContact CD1-CE1 3.88Å; W231-H341 AromaticContact CD1-NE2 3.55Å; W231-H341 AromaticContact CE2-CE1 3.89Å; W231-H341 AromaticContact CE2-NE2 3.57Å; W231-H341 AromaticContact NE1-CE1 3.57Å; W231-H341 AromaticContact NE1-NE2 2.96Å; W231-H341 PolarHBondContact NE1-NE2 3.48Å; H341-E343 IonicContact CD2-OE2 2.76Å; H341-E343 IonicContact NE2-OE2 3.17Å; H341-E343 PolarHBondContact NE2-OE2 2.93Å; H341-E343 PolarHBondContact O-N 2.98Å; H341-R388 VanDerWaalsContact CB-CZ 3.42Å
342	D	96.4	Very high	94	Very high	6 Å²	6	28.1 Å²	28.1	3%	0.032	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	70.9	177.7	-163.2	14.3	0	0	0	109.9	T229 R230 L309 A344 G345 D346 S347 V348 S349	T229-D342 PolarHBondContact O-N 2.85Å; R230-D342 HydrophobicContact CB-CB 4.28Å; L309-D342 HydrophobicContact CD1-CB 4.36Å; D342-A344 VanDerWaalsContact C-N 3.26Å; D342-A344 PolarHBondContact O-N 3.05Å; D342-G345 PolarHBondContact O-N 3.1Å; D342-G345 PolarHBondContact OD1-N 2.97Å; D342-D346 PolarHBondContact OD1-N 2.94Å; D342-S347 PolarHBondContact OD1-N 2.88Å; D342-S347 PolarHBondContact OD1-OG 3.24Å; D342-S347 PolarHBondContact OD2-N 3.34Å; D342-S347 PolarHBondContact OD2-OG 3.1Å; D342-S347 VanDerWaalsContact OD2-OG 3.13Å; D342-V348 PolarHBondContact OD2-N 3.07Å; D342-S349 WeakPolarHBondContact OD2-CB 3.28Å; D342-S349 PolarHBondContact OD2-N 3.01Å; D342-S349 PolarHBondContact OD2-OG 2.87Å
343	E	94.9	Very high	93.6	Very high	104 Å²	104	30 Å²	30	49%	0.486	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-38.1	-175.1	175	63.1	-141.7	0	0	112.7	W231 K239 H341	W231-E343 VanDerWaalsContact NE1-CD 3.33Å; W231-E343 PolarHBondContact NE1-OE1 2.71Å; W231-E343 PolarHBondContact NE1-OE2 3.21Å; K239-E343 IonicContact NZ-OE1 2.92Å; K239-E343 PolarHBondContact NZ-OE1 2.83Å; K239-E343 IonicContact NZ-OE2 3.77Å; H341-E343 IonicContact CD2-OE2 2.76Å; H341-E343 IonicContact NE2-OE2 3.17Å; H341-E343 PolarHBondContact NE2-OE2 2.93Å; H341-E343 PolarHBondContact O-N 2.98Å
344	A	92.9	Very high	93	Very high	78 Å²	78	34 Å²	34	65%	0.645	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-12.4	178.7	0	0	0	0	0	113.7	D342 D346	D342-A344 VanDerWaalsContact C-N 3.26Å; D342-A344 PolarHBondContact O-N 3.05Å; A344-D346 VanDerWaalsContact C-N 3.27Å; A344-D346 HydrophobicContact CB-CB 4.45Å; A344-D346 PolarHBondContact O-N 2.82Å
345	G	93.2	Very high	92.3	Very high	27 Å²	27	35.1 Å²	35.1	28%	0.278	21%	0.205	S	C	.	.	S	Bend	trans	68.2	21.1	-176.4	0	0	0	0	0	114.6	D342 S349 E350	D342-G345 PolarHBondContact O-N 3.1Å; D342-G345 PolarHBondContact OD1-N 2.97Å; G345-S349 WeakPolarHBondContact O-CB 3.38Å; G345-E350 WeakPolarHBondContact O-CG 3.25Å
346	D	90.1	Very high	91.4	Very high	71 Å²	71	35.2 Å²	35.2	38%	0.38	21%	0.206	S	C	.	.			trans	-120.1	20.9	-168.7	80.4	-24.8	0	0	0	113	R305 K308 D342 A344	R305-D346 PolarHBondContact NH1-O 2.95Å; K308-D346 WeakPolarHBondContact CE-OD1 3.35Å; K308-D346 PolarHBondContact NZ-O 2.91Å; K308-D346 IonicContact NZ-OD1 3.65Å; K308-D346 PolarHBondContact NZ-OD1 2.85Å; K308-D346 IonicContact NZ-OD2 2.85Å; K308-D346 PolarHBondContact NZ-OD2 3.21Å; D342-D346 PolarHBondContact OD1-N 2.94Å; A344-D346 VanDerWaalsContact C-N 3.27Å; A344-D346 HydrophobicContact CB-CB 4.45Å; A344-D346 PolarHBondContact O-N 2.82Å
347	S	89.9	Confident	90.2	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.021	24%	0.235	C	C	.	.	S	Bend	trans	-117.6	-94.2	173.1	63.7	0	0	0	0	111.5	R305 D342	R305-S347 WeakPolarHBondContact CB-O 3.31Å; R305-S347 WeakPolarHBondContact CD-O 3.14Å; R305-S347 WeakPolarHBondContact CG-O 3.42Å; R305-S347 PolarHBondContact NH1-O 2.99Å; D342-S347 PolarHBondContact OD1-N 2.88Å; D342-S347 PolarHBondContact OD1-OG 3.24Å; D342-S347 PolarHBondContact OD2-N 3.34Å; D342-S347 PolarHBondContact OD2-OG 3.1Å; D342-S347 VanDerWaalsContact OD2-OG 3.13Å
348	V	88.9	Confident	88.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-83.5	-21.2	179.9	171.7	0	0	0	0	112.1	V228 F284 L309 D342 E350 L351	V228-V348 HydrophobicContact CG1-CG1 4.21Å; F284-V348 HydrophobicContact CE1-CG1 3.67Å; F284-V348 HydrophobicContact CZ-CG1 3.67Å; L309-V348 HydrophobicContact CB-CG2 3.96Å; L309-V348 HydrophobicContact CD2-CB 3.91Å; L309-V348 HydrophobicContact CD2-CG2 3.57Å; L309-V348 HydrophobicContact CG-CG2 4.4Å; D342-V348 PolarHBondContact OD2-N 3.07Å; V348-E350 PolarHBondContact O-N 3.13Å; V348-L351 HydrophobicContact CB-CD1 4.48Å; V348-L351 HydrophobicContact CG1-CD1 4.43Å; V348-L351 HydrophobicContact CG2-CD1 4.24Å; V348-L351 WeakPolarHBondContact O-CB 3.45Å; V348-L351 PolarHBondContact O-N 3.21Å
349	S	88.6	Confident	87.8	Confident	15 Å²	15	46 Å²	46	11%	0.105	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.6	178	-62.1	0	0	0	0	114.7	R230 D342 G345	R230-S349 VanDerWaalsContact CB-OG 3.26Å; R230-S349 WeakPolarHBondContact CB-OG 3.43Å; R230-S349 WeakPolarHBondContact CD-OG 3.49Å; R230-S349 PolarHBondContact NH1-O 2.88Å; D342-S349 WeakPolarHBondContact OD2-CB 3.28Å; D342-S349 PolarHBondContact OD2-N 3.01Å; D342-S349 PolarHBondContact OD2-OG 2.87Å; G345-S349 WeakPolarHBondContact O-CB 3.38Å
350	E	86.6	Confident	87	Confident	116 Å²	116	47.8 Å²	47.8	54%	0.542	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-3.3	176.4	-54.4	-170.3	106.9	0	0	113	R305 G345 V348	R305-E350 IonicContact CZ-OE2 3.03Å; R305-E350 IonicContact NH1-OE2 3.73Å; R305-E350 PolarHBondContact NH1-OE2 3.18Å; R305-E350 IonicContact NH2-OE2 3.7Å; R305-E350 PolarHBondContact NH2-OE2 3.44Å; G345-E350 WeakPolarHBondContact O-CG 3.25Å; V348-E350 PolarHBondContact O-N 3.13Å
351	L	85.7	Confident	86.6	Confident	15 Å²	15	53 Å²	53	8%	0.079	31%	0.305	C	S	.	.	S	Bend	trans	-82.5	139.2	178.1	-64.2	-175.9	0	0	0	111.4	L289 I302 R305 I306 V348 L353	L289-L351 HydrophobicContact CD1-CD1 3.82Å; L289-L351 HydrophobicContact CD2-CB 3.99Å; L289-L351 HydrophobicContact CD2-CD1 4.08Å; I302-L351 HydrophobicContact CG1-CD2 3.9Å; I302-L351 HydrophobicContact CG2-CD1 4.2Å; R305-L351 HydrophobicContact CB-CD1 4.17Å; R305-L351 HydrophobicContact CB-CD2 4.38Å; R305-L351 HydrophobicContact CB-CG 4.42Å; R305-L351 VanDerWaalsContact CD-CD2 3.47Å; I306-L351 HydrophobicContact CG1-CD1 4.4Å; V348-L351 HydrophobicContact CB-CD1 4.48Å; V348-L351 HydrophobicContact CG1-CD1 4.43Å; V348-L351 HydrophobicContact CG2-CD1 4.24Å; V348-L351 WeakPolarHBondContact O-CB 3.45Å; V348-L351 PolarHBondContact O-N 3.21Å; L351-L353 PolarHBondContact O-N 2.78Å
352	P	85.3	Confident	86.4	Confident	102 Å²	102	53.2 Å²	53.2	66%	0.662	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-67.2	116.7	167.7	29.1	-32.2	0	0	0	108.9	Q354	P352-Q354 PolarHBondContact O-N 2.76Å
353	L	89.1	Confident	86.4	Confident	39 Å²	39	57.1 Å²	57.1	20%	0.204	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-69.3	128.9	171.6	-59	177	0	0	0	109.1	V253 A288 L289 L351 V362 W364	V253-L353 HydrophobicContact CG1-CD1 4.09Å; V253-L353 HydrophobicContact CG1-CD2 4.13Å; V253-L353 HydrophobicContact CG2-CD1 4.27Å; V253-L353 HydrophobicContact CG2-CD2 4.2Å; A288-L353 WeakPolarHBondContact O-CA 3.37Å; L289-L353 HydrophobicContact CD2-CD2 3.95Å; L351-L353 PolarHBondContact O-N 2.78Å; L353-V362 HydrophobicContact CB-CG1 3.71Å; L353-V362 HydrophobicContact CB-CG2 4.08Å; L353-V362 HydrophobicContact CD1-CG2 4.25Å; L353-W364 VanDerWaalsContact CD1-CD1 3.44Å; L353-W364 HydrophobicContact CD1-CD2 4.4Å; L353-W364 HydrophobicContact CD1-CG 3.98Å
354	Q	85.8	Confident	86.5	Confident	90 Å²	90	53.9 Å²	53.9	42%	0.421	31%	0.309	S	S	.	.			trans	-134.8	125.8	178	-175.1	-178.5	-43.7	0	0	108.9	A288 L289 N290 S293 P352 G356 V362	A288-Q354 CarbonylContact C-O 3.5Å; A288-Q354 PolarHBondContact O-N 3.3Å; L289-Q354 CarbonylContact C-O 3.12Å; L289-Q354 PolarHBondContact N-O 3.32Å; N290-Q354 HydrophobicContact CB-CB 3.97Å; N290-Q354 HydrophobicContact CB-CG 3.74Å; N290-Q354 PolarHBondContact N-O 3.13Å; N290-Q354 PolarHBondContact ND2-NE2 2.78Å; S293-Q354 PolarHBondContact OG-NE2 2.82Å; P352-Q354 PolarHBondContact O-N 2.76Å; Q354-G356 PolarHBondContact O-N 2.84Å; Q354-V362 VanDerWaalsContact C-CG1 3.49Å
355	A	83.5	Confident	86.7	Confident	23 Å²	23	50.8 Å²	50.8	19%	0.19	28%	0.282	C	S	.	.			trans	-65.5	133.3	-177.5	0	0	0	0	0	110.7	E287 N290 A359 V362	E287-A355 WeakPolarHBondContact O-CA 3.36Å; N290-A355 PolarHBondContact ND2-O 3.11Å; A355-A359 HydrophobicContact CB-CB 3.9Å; A355-V362 HydrophobicContact CB-CB 4.41Å; A355-V362 HydrophobicContact CB-CG1 4.13Å; A355-V362 VanDerWaalsContact N-CG1 3.31Å
356	G	79.4	Confident	86.9	Confident	3 Å²	3	51.9 Å²	51.9	3%	0.031	28%	0.281	C	S	.	.			trans	-70.1	-174.7	168.8	0	0	0	0	0	112.9	R258 E286 E287 Q354 D358 A359	R258-G356 PolarHBondContact NH2-O 3.16Å; E286-G356 VanDerWaalsContact O-CA 3.28Å; E286-G356 WeakPolarHBondContact O-CA 3.36Å; E287-G356 PolarHBondContact O-N 3.1Å; Q354-G356 PolarHBondContact O-N 2.84Å; G356-D358 VanDerWaalsContact C-N 3.34Å; G356-D358 PolarHBondContact O-N 3.13Å; G356-A359 PolarHBondContact O-N 2.93Å
357	D	73	Confident	87.2	Confident	121 Å²	121	48.5 Å²	48.5	65%	0.647	26%	0.263	S	S	*	.	S	Bend	trans	-72.2	-22.2	-173.5	-74.1	-36.3	0	0	0	114.5	R258	R258-D357 WeakPolarHBondContact CD-O 3.31Å; R258-D357 PolarHBondContact NE-O 2.95Å; R258-D357 VanDerWaalsContact NE-O 3.15Å; R258-D357 PolarHBondContact NH1-O 2.85Å; R258-D357 PolarHBondContact NH2-O 2.66Å
358	D	69.1	Low	87.5	Confident	125 Å²	125	50.2 Å²	50.2	67%	0.668	27%	0.273	S	S	*	.	S	Bend	trans	-96.8	-13.7	175.2	-69.9	-64.2	0	0	0	113.8	R258 G356	R258-D358 WeakPolarHBondContact CB-O 3.42Å; R258-D358 VanDerWaalsContact CG-O 3.26Å; R258-D358 WeakPolarHBondContact CG-O 3.46Å; R258-D358 PolarHBondContact N-O 3.48Å; G356-D358 VanDerWaalsContact C-N 3.34Å; G356-D358 PolarHBondContact O-N 3.13Å
359	A	78.1	Confident	87.7	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131.3	175.1	0	0	0	0	0	111.2	I255 R258 A355 G356	I255-A359 HydrophobicContact CB-CB 4.02Å; I255-A359 HydrophobicContact CD1-CB 4.41Å; I255-A359 HydrophobicContact CG2-CB 3.94Å; R258-A359 VanDerWaalsContact CZ-O 3.28Å; R258-A359 VanDerWaalsContact NE-C 3.31Å; R258-A359 PolarHBondContact NE-O 3.41Å; R258-A359 PolarHBondContact NH2-O 3.39Å; A355-A359 HydrophobicContact CB-CB 3.9Å; G356-A359 PolarHBondContact O-N 2.93Å
360	G	81.4	Confident	88	Confident	36 Å²	36	57.6 Å²	57.6	37%	0.371	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-33.3	175.7	0	0	0	0	0	112.6	K256	K256-G360 PolarHBondContact O-N 2.92Å
361	H	89.9	Confident	88.3	Confident	119 Å²	119	54.4 Å²	54.4	55%	0.551	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.1	159.4	173.3	-60.7	-77.1	0	0	0	109.6	I255 K256 W263	I255-H361 CarbonylContact C-O 3.59Å; I255-H361 WeakPolarHBondContact CA-O 3.45Å; K256-H361 HydrophobicContact CB-CB 4.13Å; K256-H361 PolarHBondContact N-O 3.03Å; W263-H361 HydrophobicContact CH2-CB 4.01Å
362	V	93.6	Very high	88.5	Confident	24 Å²	24	56.4 Å²	56.4	15%	0.145	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	144.4	168.8	64	0	0	0	0	108.8	V253 A254 I255 A288 L353 Q354 A355	V253-V362 HydrophobicContact CG1-CG2 3.8Å; A254-V362 WeakPolarHBondContact O-CA 3.4Å; A254-V362 WeakPolarHBondContact O-CG2 3.48Å; I255-V362 HydrophobicContact CG2-CB 4.03Å; I255-V362 HydrophobicContact CG2-CG2 3.83Å; A288-V362 HydrophobicContact CB-CG2 3.94Å; L353-V362 HydrophobicContact CB-CG1 3.71Å; L353-V362 HydrophobicContact CB-CG2 4.08Å; L353-V362 HydrophobicContact CD1-CG2 4.25Å; Q354-V362 VanDerWaalsContact C-CG1 3.49Å; A355-V362 HydrophobicContact CB-CB 4.41Å; A355-V362 HydrophobicContact CB-CG1 4.13Å; A355-V362 VanDerWaalsContact N-CG1 3.31Å
363	Q	94.9	Very high	88.8	Confident	89 Å²	89	52.6 Å²	52.6	42%	0.416	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	165.7	172.4	63.4	-177.4	-10	0	0	112	A254 W263 V365	A254-Q363 PolarHBondContact N-O 3.04Å; A254-Q363 PolarHBondContact O-N 3.35Å; W263-Q363 HydrophobicContact CH2-CG 3.8Å; W263-Q363 VanDerWaalsContact CZ2-NE2 3.3Å; W263-Q363 HydrophobicContact CZ3-CG 3.91Å; Q363-V365 HydrophobicContact CG-CG2 3.66Å
364	W	96.8	Very high	88.7	Confident	36 Å²	36	51.5 Å²	51.5	14%	0.136	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	127.9	160.2	-72.5	101.5	0	0	0	109.5	V228 R230 Q251 F252 V253 L353	V228-W364 HydrophobicContact CG1-CH2 3.93Å; R230-W364 HydrophobicContact CB-CH2 3.98Å; R230-W364 HydrophobicContact CB-CZ3 4.02Å; R230-W364 HydrophobicContact CG-CD2 4.32Å; R230-W364 HydrophobicContact CG-CE3 3.83Å; R230-W364 HydrophobicContact CG-CH2 3.82Å; R230-W364 HydrophobicContact CG-CZ2 4.33Å; R230-W364 HydrophobicContact CG-CZ3 3.56Å; Q251-W364 HydrophobicContact CB-CE3 3.89Å; F252-W364 WeakPolarHBondContact O-CA 3.49Å; V253-W364 HydrophobicContact CG2-CD2 3.95Å; V253-W364 HydrophobicContact CG2-CE3 3.8Å; V253-W364 HydrophobicContact CG2-CH2 3.54Å; V253-W364 HydrophobicContact CG2-CZ2 3.66Å; V253-W364 HydrophobicContact CG2-CZ3 3.6Å; L353-W364 VanDerWaalsContact CD1-CD1 3.44Å; L353-W364 HydrophobicContact CD1-CD2 4.4Å; L353-W364 HydrophobicContact CD1-CG 3.98Å
365	V	97.2	Very high	88.7	Confident	12 Å²	12	47.4 Å²	47.4	7%	0.073	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.8	178.5	-177.7	0	0	0	0	109	Q251 F252 A254 Q363 F371	Q251-V365 CarbonylContact C-O 3.51Å; Q251-V365 WeakPolarHBondContact CA-O 3.19Å; Q251-V365 WeakPolarHBondContact CB-O 3.38Å; F252-V365 HydrophobicContact CD1-CB 4.05Å; F252-V365 WeakPolarHBondContact CD1-O 3.28Å; F252-V365 HydrophobicContact CE1-CB 3.59Å; F252-V365 HydrophobicContact CE1-CG1 3.74Å; F252-V365 HydrophobicContact CZ-CB 4.13Å; F252-V365 HydrophobicContact CZ-CG1 4.35Å; F252-V365 PolarHBondContact N-O 2.76Å; F252-V365 PolarHBondContact O-N 2.89Å; A254-V365 HydrophobicContact CB-CB 4.34Å; A254-V365 HydrophobicContact CB-CG2 3.59Å; Q363-V365 HydrophobicContact CG-CG2 3.66Å; V365-F371 HydrophobicContact CB-CZ 4.45Å; V365-F371 HydrophobicContact CG1-CD1 3.96Å; V365-F371 HydrophobicContact CG1-CD2 3.75Å; V365-F371 HydrophobicContact CG1-CE1 3.83Å; V365-F371 HydrophobicContact CG1-CE2 3.6Å; V365-F371 HydrophobicContact CG1-CG 3.93Å; V365-F371 HydrophobicContact CG1-CZ 3.65Å; V365-F371 HydrophobicContact CG2-CE1 4.39Å; V365-F371 HydrophobicContact CG2-CZ 4.02Å
366	D	98.1	Very high	88.9	Confident	50 Å²	50	47.6 Å²	47.6	27%	0.267	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	132.1	170.5	-71.8	15.6	0	0	0	110	K232 I249 Q251 D368	K232-D366 WeakPolarHBondContact CD-OD1 3.43Å; K232-D366 IonicContact NZ-OD1 2.85Å; K232-D366 PolarHBondContact NZ-OD1 3.19Å; K232-D366 IonicContact NZ-OD2 3.29Å; K232-D366 PolarHBondContact NZ-OD2 3.1Å; I249-D366 HydrophobicContact CG2-CB 4.06Å; Q251-D366 PolarHBondContact NE2-OD1 2.53Å; D366-D368 PolarHBondContact O-N 3.47Å
367	V	97.3	Very high	89.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.284	C	S	.	.			trans	-73.9	116.4	175.3	177.8	0	0	0	0	109	L250 F252 L381 A385 W392	L250-V367 HydrophobicContact CB-CB 4.24Å; L250-V367 HydrophobicContact CB-CG2 4.13Å; L250-V367 HydrophobicContact CD2-CG2 4.25Å; L250-V367 HydrophobicContact CG-CG2 4.27Å; L250-V367 PolarHBondContact O-N 3.32Å; F252-V367 HydrophobicContact CB-CG2 4.1Å; F252-V367 HydrophobicContact CD1-CG2 3.67Å; F252-V367 HydrophobicContact CG-CG2 4.28Å; V367-L381 HydrophobicContact CG1-CB 4.21Å; V367-A385 HydrophobicContact CG1-CB 4.06Å; V367-W392 HydrophobicContact CG1-CE3 3.85Å; V367-W392 HydrophobicContact CG1-CZ3 3.87Å
368	D	94.6	Very high	90.6	Very high	40 Å²	40	44.3 Å²	44.3	21%	0.214	27%	0.266	C	S	.	.			trans	-154.8	139.9	-176.4	-174.8	-85	0	0	0	110	D366 S370 F371 H391	D366-D368 PolarHBondContact O-N 3.47Å; D368-S370 PolarHBondContact O-N 2.8Å; D368-S370 VanDerWaalsContact O-N 3.16Å; D368-S370 VanDerWaalsContact OD1-CB 3.25Å; D368-S370 WeakPolarHBondContact OD1-CB 3.48Å; D368-S370 PolarHBondContact OD1-N 2.92Å; D368-S370 PolarHBondContact OD1-OG 3.19Å; D368-F371 PolarHBondContact O-N 2.76Å; D368-F371 VanDerWaalsContact O-N 3.12Å; D368-H391 WeakPolarHBondContact CB-NE2 3.36Å; D368-H391 IonicContact OD1-NE2 1.79Å; D368-H391 IonicContact OD2-CD2 2.69Å; D368-H391 CovalentContact OD2-NE2 1.79Å; D368-H391 IonicContact OD2-NE2 2.61Å; D368-H391 PolarHBondContact OD2-NE2 2.92Å
369	S	94	Very high	91.7	Very high	65 Å²	65	40.9 Å²	40.9	46%	0.455	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.8	-178.2	50.3	0	0	0	0	115.1	W392	S369-W392 WeakPolarHBondContact CB-OXT 3.29Å; S369-W392 PolarHBondContact N-OXT 2.93Å; S369-W392 PolarHBondContact OG-OXT 2.82Å
370	S	94.1	Very high	92.6	Very high	105 Å²	105	41 Å²	41	73%	0.734	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-9	175.8	71.3	0	0	0	0	114.6	D368 G372	D368-S370 PolarHBondContact O-N 2.8Å; D368-S370 VanDerWaalsContact O-N 3.16Å; D368-S370 VanDerWaalsContact OD1-CB 3.25Å; D368-S370 WeakPolarHBondContact OD1-CB 3.48Å; D368-S370 PolarHBondContact OD1-N 2.92Å; D368-S370 PolarHBondContact OD1-OG 3.19Å; S370-G372 PolarHBondContact O-N 3.16Å
371	F	92.6	Very high	93.4	Very high	48 Å²	48	39.4 Å²	39.4	21%	0.211	23%	0.23	C	C	.	.	S	Bend	trans	-76.9	108.9	-176	-167	-102.8	0	0	0	112.3	F252 W263 V365 D368 L373	F252-F371 HydrophobicContact CE1-CD1 4.34Å; F252-F371 HydrophobicContact CZ-CD1 4.08Å; F252-F371 HydrophobicContact CZ-CE1 4.06Å; W263-F371 HydrophobicContact CB-CE1 3.68Å; W263-F371 HydrophobicContact CB-CZ 3.92Å; W263-F371 AromaticContact CD1-CZ 3.57Å; W263-F371 AromaticContact CD2-CZ 3.99Å; W263-F371 HydrophobicContact CD2-CZ 3.99Å; W263-F371 AromaticContact CG-CE1 3.88Å; W263-F371 HydrophobicContact CG-CE1 3.88Å; W263-F371 AromaticContact CG-CZ 3.57Å; W263-F371 HydrophobicContact CG-CZ 3.57Å; W263-F371 AromaticContact NE1-CZ 3.98Å; V365-F371 HydrophobicContact CB-CZ 4.45Å; V365-F371 HydrophobicContact CG1-CD1 3.96Å; V365-F371 HydrophobicContact CG1-CD2 3.75Å; V365-F371 HydrophobicContact CG1-CE1 3.83Å; V365-F371 HydrophobicContact CG1-CE2 3.6Å; V365-F371 HydrophobicContact CG1-CG 3.93Å; V365-F371 HydrophobicContact CG1-CZ 3.65Å; V365-F371 HydrophobicContact CG2-CE1 4.39Å; V365-F371 HydrophobicContact CG2-CZ 4.02Å; D368-F371 PolarHBondContact O-N 2.76Å; D368-F371 VanDerWaalsContact O-N 3.12Å; F371-L373 HydrophobicContact CD1-CD1 4.15Å; F371-L373 HydrophobicContact CD1-CD2 3.89Å; F371-L373 HydrophobicContact CD1-CG 3.76Å; F371-L373 HydrophobicContact CE1-CD2 3.79Å; F371-L373 HydrophobicContact CE1-CG 4.16Å; F371-L373 PolarHBondContact O-N 2.92Å
372	G	91.1	Very high	93.7	Very high	58 Å²	58	37.1 Å²	37.1	60%	0.598	22%	0.219	S	C	*	.			trans	-65	122.2	-177.9	0	0	0	0	0	113.4	S370	S370-G372 PolarHBondContact O-N 3.16Å
373	L	90.8	Very high	93.9	Very high	22 Å²	22	37 Å²	37	12%	0.115	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-134.8	148.1	-172	-77.4	168.1	0	0	0	113.2	F252 W263 F371 H377 L381	F252-L373 HydrophobicContact CE2-CD2 4.45Å; F252-L373 HydrophobicContact CZ-CD1 4.26Å; F252-L373 HydrophobicContact CZ-CD2 4.13Å; W263-L373 HydrophobicContact CB-CD2 3.85Å; W263-L373 WeakPolarHBondContact O-CA 3.34Å; W263-L373 WeakPolarHBondContact O-CD2 3.13Å; F371-L373 HydrophobicContact CD1-CD1 4.15Å; F371-L373 HydrophobicContact CD1-CD2 3.89Å; F371-L373 HydrophobicContact CD1-CG 3.76Å; F371-L373 HydrophobicContact CE1-CD2 3.79Å; F371-L373 HydrophobicContact CE1-CG 4.16Å; F371-L373 PolarHBondContact O-N 2.92Å; L373-H377 HydrophobicContact CB-CB 4.16Å; L373-H377 HydrophobicContact CD1-CB 4.37Å; L373-L381 HydrophobicContact CD1-CD1 3.5Å; L373-L381 VanDerWaalsContact CD1-CD1 3.5Å; L373-L381 HydrophobicContact CD1-CG 4.31Å
374	Y	87.7	Confident	94	Very high	15 Å²	15	32.8 Å²	32.8	6%	0.059	20%	0.198	C	C	.	.	S	Bend	trans	-61.8	152.3	174.9	-175.3	-102.7	0	0	0	113.1	E262 W263 D324 P325 S376 H377	E262-Y374 HydrophobicContact CB-CD2 4.44Å; E262-Y374 WeakPolarHBondContact OE2-CA 3.14Å; W263-Y374 WeakPolarHBondContact O-CB 3.24Å; W263-Y374 PolarHBondContact O-N 3.49Å; D324-Y374 PolarHBondContact OD2-OH 2.93Å; P325-Y374 HydrophobicContact CG-CE2 4.38Å; Y374-S376 PolarHBondContact O-N 2.96Å; Y374-H377 AromaticContact CD1-CE1 3.97Å; Y374-H377 VanDerWaalsContact O-CB 3.32Å; Y374-H377 WeakPolarHBondContact O-CB 3.39Å; Y374-H377 PolarHBondContact O-N 2.74Å; Y374-H377 VanDerWaalsContact O-N 3.13Å; Y374-H377 PolarHBondContact O-ND1 3.2Å
375	A	84.8	Confident	94.1	Very high	5 Å²	5	31.1 Å²	31.1	4%	0.041	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	43	-134	176	0	0	0	0	0	112.9	K119 V322 H377	K119-A375 PolarHBondContact NZ-O 2.81Å; V322-A375 HydrophobicContact CG1-CB 3.96Å; A375-H377 VanDerWaalsContact C-N 3.34Å
376	S	89.4	Confident	94.1	Very high	27 Å²	27	37.8 Å²	37.8	19%	0.189	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	9.2	-180	-61.6	0	0	0	0	114.2	Y374 S378 H379 F380	Y374-S376 PolarHBondContact O-N 2.96Å; S376-S378 VanDerWaalsContact C-N 3.3Å; S376-S378 PolarHBondContact O-N 3.48Å; S376-S378 VanDerWaalsContact O-N 3.16Å; S376-H379 WeakPolarHBondContact O-CB 3.48Å; S376-H379 PolarHBondContact O-N 3.39Å; S376-F380 PolarHBondContact O-N 3.41Å
377	H	92.5	Very high	94	Very high	14 Å²	14	40.1 Å²	40.1	7%	0.065	23%	0.225	C	C	.	.	H	α-helix	trans	-63.7	-30.5	-163.3	-60.6	174.4	0	0	0	114.2	I265 L373 Y374 A375 H379 F380 L381	I265-H377 HydrophobicContact CD1-CB 3.74Å; I265-H377 HydrophobicContact CG1-CB 4.17Å; I265-H377 PolarHBondContact N-ND1 2.74Å; L373-H377 HydrophobicContact CB-CB 4.16Å; L373-H377 HydrophobicContact CD1-CB 4.37Å; Y374-H377 AromaticContact CD1-CE1 3.97Å; Y374-H377 VanDerWaalsContact O-CB 3.32Å; Y374-H377 WeakPolarHBondContact O-CB 3.39Å; Y374-H377 PolarHBondContact O-N 2.74Å; Y374-H377 VanDerWaalsContact O-N 3.13Å; Y374-H377 PolarHBondContact O-ND1 3.2Å; A375-H377 VanDerWaalsContact C-N 3.34Å; H377-H379 PolarHBondContact O-N 3.33Å; H377-F380 AromaticContact CD2-CD2 3.92Å; H377-F380 AromaticContact CD2-CE2 3.82Å; H377-F380 WeakPolarHBondContact O-CB 3.24Å; H377-F380 PolarHBondContact O-N 2.97Å; H377-L381 PolarHBondContact O-N 2.83Å
378	S	93.9	Very high	94	Very high	41 Å²	41	43.3 Å²	43.3	29%	0.287	24%	0.237	S	C	.	.	H	α-helix	trans	-59.1	-42.6	172.8	174.4	0	0	0	0	112.3	S376 F380 L381 E382 W392	S376-S378 VanDerWaalsContact C-N 3.3Å; S376-S378 PolarHBondContact O-N 3.48Å; S376-S378 VanDerWaalsContact O-N 3.16Å; S378-F380 VanDerWaalsContact C-N 3.31Å; S378-F380 PolarHBondContact O-N 3.36Å; S378-L381 PolarHBondContact O-N 2.85Å; S378-L381 VanDerWaalsContact O-N 3.16Å; S378-E382 PolarHBondContact O-N 2.8Å; S378-W392 WeakPolarHBondContact O-CH2 3.36Å
379	H	93.6	Very high	94.2	Very high	53 Å²	53	48.4 Å²	48.4	25%	0.245	26%	0.259	C	S	.	.	H	α-helix	trans	-67.2	-32.2	176.2	179.6	54	0	0	0	112.1	S376 H377 L381 E382 L383	S376-H379 WeakPolarHBondContact O-CB 3.48Å; S376-H379 PolarHBondContact O-N 3.39Å; H377-H379 PolarHBondContact O-N 3.33Å; H379-L381 VanDerWaalsContact C-N 3.34Å; H379-E382 IonicContact CE1-OE2 3.54Å; H379-E382 IonicContact ND1-OE2 3.8Å; H379-E382 PolarHBondContact ND1-OE2 2.84Å; H379-E382 WeakPolarHBondContact O-CB 3.24Å; H379-E382 PolarHBondContact O-N 2.85Å; H379-L383 WeakPolarHBondContact O-CG 3.27Å; H379-L383 PolarHBondContact O-N 2.93Å
380	F	96.2	Very high	94.4	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	24%	0.238	C	C	.	.	H	α-helix	trans	-66.1	-37.9	173	-54.6	-25.5	0	0	0	111.7	I265 V317 Y318 T335 V337 S376 H377 S378 L383 V384	I265-F380 HydrophobicContact CD1-CB 4.31Å; I265-F380 HydrophobicContact CD1-CD2 3.96Å; V317-F380 HydrophobicContact CG1-CB 4.44Å; V317-F380 WeakPolarHBondContact CG1-O 3.48Å; Y318-F380 HydrophobicContact CD1-CD1 4.34Å; Y318-F380 AromaticContact CD1-CE1 3.42Å; Y318-F380 HydrophobicContact CD1-CE1 3.42Å; Y318-F380 VanDerWaalsContact CD1-CE1 3.42Å; Y318-F380 AromaticContact CD1-CZ 3.73Å; Y318-F380 HydrophobicContact CD1-CZ 3.73Å; Y318-F380 HydrophobicContact CD2-CE1 4.37Å; Y318-F380 HydrophobicContact CE1-CE1 4.04Å; Y318-F380 HydrophobicContact CE1-CZ 4.22Å; Y318-F380 HydrophobicContact CG-CD1 4.17Å; Y318-F380 AromaticContact CG-CE1 3.62Å; Y318-F380 HydrophobicContact CG-CE1 3.62Å; Y318-F380 HydrophobicContact CG-CZ 4.37Å; T335-F380 HydrophobicContact CG2-CE2 4.18Å; T335-F380 HydrophobicContact CG2-CZ 4.03Å; V337-F380 HydrophobicContact CG1-CB 4.16Å; V337-F380 HydrophobicContact CG1-CD2 4.18Å; V337-F380 HydrophobicContact CG1-CG 4.23Å; V337-F380 HydrophobicContact CG2-CD1 4.15Å; V337-F380 HydrophobicContact CG2-CD2 3.6Å; V337-F380 HydrophobicContact CG2-CE1 4.1Å; V337-F380 HydrophobicContact CG2-CE2 3.54Å; V337-F380 HydrophobicContact CG2-CG 3.92Å; V337-F380 HydrophobicContact CG2-CZ 3.8Å; S376-F380 PolarHBondContact O-N 3.41Å; H377-F380 AromaticContact CD2-CD2 3.92Å; H377-F380 AromaticContact CD2-CE2 3.82Å; H377-F380 WeakPolarHBondContact O-CB 3.24Å; H377-F380 PolarHBondContact O-N 2.97Å; S378-F380 VanDerWaalsContact C-N 3.31Å; S378-F380 PolarHBondContact O-N 3.36Å; F380-L383 PolarHBondContact O-N 2.88Å; F380-V384 WeakPolarHBondContact O-CG2 3.46Å; F380-V384 PolarHBondContact O-N 2.93Å; F380-V384 VanDerWaalsContact O-N 3.14Å
381	L	97.4	Very high	94.5	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-70	-35.2	174.1	-64.7	-173.3	0	0	0	113.1	V227 F252 V367 L373 H377 S378 H379 L383 V384 A385 W392	V227-L381 HydrophobicContact CG1-CD2 3.74Å; F252-L381 HydrophobicContact CB-CD2 4.31Å; F252-L381 HydrophobicContact CD1-CD1 3.78Å; F252-L381 HydrophobicContact CD1-CD2 4.42Å; F252-L381 HydrophobicContact CD2-CD1 4.12Å; F252-L381 HydrophobicContact CD2-CD2 4.06Å; F252-L381 HydrophobicContact CE1-CD1 3.48Å; F252-L381 VanDerWaalsContact CE1-CD1 3.48Å; F252-L381 HydrophobicContact CE2-CD1 3.86Å; F252-L381 HydrophobicContact CG-CD1 4.1Å; F252-L381 HydrophobicContact CG-CD2 4.02Å; F252-L381 HydrophobicContact CZ-CD1 3.53Å; V367-L381 HydrophobicContact CG1-CB 4.21Å; L373-L381 HydrophobicContact CD1-CD1 3.5Å; L373-L381 VanDerWaalsContact CD1-CD1 3.5Å; L373-L381 HydrophobicContact CD1-CG 4.31Å; H377-L381 PolarHBondContact O-N 2.83Å; S378-L381 PolarHBondContact O-N 2.85Å; S378-L381 VanDerWaalsContact O-N 3.16Å; H379-L381 VanDerWaalsContact C-N 3.34Å; L381-L383 VanDerWaalsContact C-N 3.32Å; L381-L383 PolarHBondContact O-N 3.33Å; L381-V384 PolarHBondContact O-N 3.46Å; L381-A385 VanDerWaalsContact O-CB 3.3Å; L381-A385 WeakPolarHBondContact O-CB 3.38Å; L381-A385 PolarHBondContact O-N 2.9Å; L381-W392 HydrophobicContact CB-CH2 4.08Å; L381-W392 HydrophobicContact CB-CZ3 3.78Å
382	E	97.3	Very high	94.7	Very high	72 Å²	72	42.7 Å²	42.7	34%	0.336	21%	0.212	S	C	.	.	H	α-helix	trans	-55.2	-48.1	171.1	177.8	178.5	-134.9	0	0	111.4	S378 H379 V384 A385 R386 W392	S378-E382 PolarHBondContact O-N 2.8Å; H379-E382 IonicContact CE1-OE2 3.54Å; H379-E382 IonicContact ND1-OE2 3.8Å; H379-E382 PolarHBondContact ND1-OE2 2.84Å; H379-E382 WeakPolarHBondContact O-CB 3.24Å; H379-E382 PolarHBondContact O-N 2.85Å; E382-V384 PolarHBondContact O-N 3.05Å; E382-A385 PolarHBondContact O-N 3.03Å; E382-R386 WeakPolarHBondContact O-CB 3.35Å; E382-R386 PolarHBondContact O-N 2.59Å; E382-W392 HydrophobicContact CB-CD2 4.21Å; E382-W392 HydrophobicContact CB-CH2 4.16Å; E382-W392 HydrophobicContact CB-CZ2 3.56Å; E382-W392 HydrophobicContact CG-CZ2 4.32Å
383	L	97.4	Very high	94.9	Very high	22 Å²	22	42 Å²	42	12%	0.115	19%	0.193	C	C	.	.	H	α-helix	trans	-62.5	-41.9	178.5	-65.7	172.1	0	0	0	111.5	V317 H379 F380 L381 E387	V317-L383 HydrophobicContact CG1-CB 3.59Å; V317-L383 HydrophobicContact CG1-CD1 4.01Å; V317-L383 HydrophobicContact CG1-CG 4.46Å; H379-L383 WeakPolarHBondContact O-CG 3.27Å; H379-L383 PolarHBondContact O-N 2.93Å; F380-L383 PolarHBondContact O-N 2.88Å; L381-L383 VanDerWaalsContact C-N 3.32Å; L381-L383 PolarHBondContact O-N 3.33Å; L383-E387 WeakPolarHBondContact O-CB 3.4Å; L383-E387 PolarHBondContact O-N 3.02Å
384	V	98	Very high	95.1	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-68.2	-43.2	176.5	172.6	0	0	0	0	112.3	V227 T229 L250 V317 N339 F380 L381 E382 R386 E387 R388	V227-V384 HydrophobicContact CG1-CG2 4.15Å; T229-V384 HydrophobicContact CG2-CG1 4.19Å; L250-V384 HydrophobicContact CD2-CG1 3.8Å; V317-V384 HydrophobicContact CB-CG2 4.28Å; V317-V384 HydrophobicContact CG1-CG2 3.83Å; V317-V384 HydrophobicContact CG2-CG2 3.37Å; N339-V384 HydrophobicContact CB-CG1 4.35Å; N339-V384 HydrophobicContact CB-CG2 3.79Å; F380-V384 WeakPolarHBondContact O-CG2 3.46Å; F380-V384 PolarHBondContact O-N 2.93Å; F380-V384 VanDerWaalsContact O-N 3.14Å; L381-V384 PolarHBondContact O-N 3.46Å; E382-V384 PolarHBondContact O-N 3.05Å; V384-R386 VanDerWaalsContact C-N 3.3Å; V384-R386 PolarHBondContact O-N 3.06Å; V384-E387 PolarHBondContact O-N 2.96Å; V384-R388 HydrophobicContact CG1-CG 4.18Å; V384-R388 WeakPolarHBondContact O-CB 3.42Å; V384-R388 VanDerWaalsContact O-CG 3.3Å; V384-R388 WeakPolarHBondContact O-CG 3.39Å; V384-R388 PolarHBondContact O-N 3.23Å
385	A	97.9	Very high	95.5	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-40.6	176.8	0	0	0	0	0	111.1	V367 L381 E382 Q389 A390 H391 W392	V367-A385 HydrophobicContact CG1-CB 4.06Å; L381-A385 VanDerWaalsContact O-CB 3.3Å; L381-A385 WeakPolarHBondContact O-CB 3.38Å; L381-A385 PolarHBondContact O-N 2.9Å; E382-A385 PolarHBondContact O-N 3.03Å; A385-Q389 PolarHBondContact O-N 3.17Å; A385-Q389 VanDerWaalsContact O-N 3.1Å; A385-A390 HydrophobicContact CB-CB 4.42Å; A385-A390 PolarHBondContact O-N 3.33Å; A385-H391 WeakPolarHBondContact CB-O 3.34Å; A385-W392 HydrophobicContact CB-CB 4.2Å; A385-W392 HydrophobicContact CB-CE3 4.17Å
386	R	97.4	Very high	96.2	Very high	151 Å²	151	46.9 Å²	46.9	57%	0.57	21%	0.214	S	C	*	.	H	α-helix	trans	-63.4	-49.4	174.8	-170.5	175.8	70.2	-153.9	2.2	112	E382 V384 Q389	E382-R386 WeakPolarHBondContact O-CB 3.35Å; E382-R386 PolarHBondContact O-N 2.59Å; V384-R386 VanDerWaalsContact C-N 3.3Å; V384-R386 PolarHBondContact O-N 3.06Å; R386-Q389 PolarHBondContact O-N 3.19Å
387	E	97.1	Very high	96.6	Very high	99 Å²	99	48.1 Å²	48.1	46%	0.463	22%	0.215	S	C	.	.	H	α-helix	trans	-61	-45.7	179.1	-172.8	67.7	-168.6	0	0	111.9	F315 L383 V384 Q389	F315-E387 HydrophobicContact CD1-CG 4.12Å; F315-E387 HydrophobicContact CD2-CG 4.14Å; F315-E387 HydrophobicContact CE1-CB 3.94Å; F315-E387 HydrophobicContact CE1-CG 3.76Å; F315-E387 HydrophobicContact CE2-CG 3.77Å; F315-E387 HydrophobicContact CG-CG 4.31Å; F315-E387 HydrophobicContact CZ-CB 4Å; F315-E387 HydrophobicContact CZ-CG 3.57Å; L383-E387 WeakPolarHBondContact O-CB 3.4Å; L383-E387 PolarHBondContact O-N 3.02Å; V384-E387 PolarHBondContact O-N 2.96Å; E387-Q389 PolarHBondContact O-N 3.49Å
388	R	96.7	Very high	96.9	Very high	68 Å²	68	50.4 Å²	50.4	26%	0.257	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-0.9	179	-60.6	-67.2	172.7	-169.2	-6.7	113.7	W231 L250 N339 H341 V384 A390	W231-R388 HydrophobicContact CH2-CB 4.11Å; W231-R388 WeakPolarHBondContact CH2-O 3.42Å; W231-R388 HydrophobicContact CZ2-CB 4.35Å; L250-R388 HydrophobicContact CD2-CB 4.24Å; L250-R388 HydrophobicContact CD2-CG 4.13Å; N339-R388 VanDerWaalsContact OD1-CZ 3.28Å; N339-R388 PolarHBondContact OD1-NE 3.35Å; N339-R388 PolarHBondContact OD1-NH2 2.9Å; H341-R388 VanDerWaalsContact CB-CZ 3.42Å; V384-R388 HydrophobicContact CG1-CG 4.18Å; V384-R388 WeakPolarHBondContact O-CB 3.42Å; V384-R388 VanDerWaalsContact O-CG 3.3Å; V384-R388 WeakPolarHBondContact O-CG 3.39Å; V384-R388 PolarHBondContact O-N 3.23Å; R388-A390 PolarHBondContact O-N 2.66Å
389	Q	97.6	Very high	97.1	Very high	146 Å²	146	51.1 Å²	51.1	68%	0.682	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	31.9	-174.4	-50.9	-174.9	11.8	0	0	113.8	K247 A385 R386 E387	K247-Q389 WeakPolarHBondContact CD-O 3.34Å; A385-Q389 PolarHBondContact O-N 3.17Å; A385-Q389 VanDerWaalsContact O-N 3.1Å; R386-Q389 PolarHBondContact O-N 3.19Å; E387-Q389 PolarHBondContact O-N 3.49Å
390	A	98.2	Very high	97.4	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.008	22%	0.219	C	C	.	.			trans	-85.7	173.7	-179.5	0	0	0	0	0	113	W231 K247 P248 L250 A385 R388	W231-A390 HydrophobicContact CH2-CB 4.15Å; W231-A390 HydrophobicContact CZ3-CB 3.98Å; K247-A390 WeakPolarHBondContact CD-O 3.37Å; K247-A390 PolarHBondContact NZ-O 3.16Å; P248-A390 WeakPolarHBondContact O-CA 3.46Å; L250-A390 HydrophobicContact CB-CB 3.73Å; L250-A390 HydrophobicContact CD2-CB 4.46Å; A385-A390 HydrophobicContact CB-CB 4.42Å; A385-A390 PolarHBondContact O-N 3.33Å; R388-A390 PolarHBondContact O-N 2.66Å
391	H	98	Very high	97.5	Very high	25 Å²	25	55 Å²	55	12%	0.116	24%	0.237	C	C	.	.			trans	-59.3	149.1	164.4	175.1	52.4	0	0	0	112.1	H242 S245 P248 D368 A385	H242-H391 HydrophobicContact CB-CB 3.88Å; H242-H391 AromaticContact CE1-CE1 3.61Å; H242-H391 AromaticContact CE1-ND1 3.87Å; H242-H391 AromaticContact CE1-NE2 3.99Å; H242-H391 AromaticContact CG-CD2 3.92Å; H242-H391 AromaticContact CG-CG 3.72Å; H242-H391 AromaticContact CG-ND1 3.74Å; H242-H391 AromaticContact ND1-CD2 3.69Å; H242-H391 AromaticContact ND1-CE1 3.46Å; H242-H391 PolarHBondContact ND1-CE1 2.9Å; H242-H391 AromaticContact ND1-CG 3.44Å; H242-H391 AromaticContact ND1-ND1 2.98Å; H242-H391 PolarHBondContact ND1-ND1 3.42Å; S245-H391 PolarHBondContact OG-ND1 3.34Å; P248-H391 PolarHBondContact O-N 3.29Å; D368-H391 WeakPolarHBondContact CB-NE2 3.36Å; D368-H391 IonicContact OD1-NE2 1.79Å; D368-H391 IonicContact OD2-CD2 2.69Å; D368-H391 CovalentContact OD2-NE2 1.79Å; D368-H391 IonicContact OD2-NE2 2.61Å; D368-H391 PolarHBondContact OD2-NE2 2.92Å; A385-H391 WeakPolarHBondContact CB-O 3.34Å
392	W	96.6	Very high	97.5	Very high	73 Å²	73	59.8 Å²	59.8	28%	0.277	26%	0.257	S	S	.	.			trans	-148.5	0	171.7	-174.5	-120.5	0	0	0	108.4	V367 S369 S378 L381 E382 A385	V367-W392 HydrophobicContact CG1-CE3 3.85Å; V367-W392 HydrophobicContact CG1-CZ3 3.87Å; S369-W392 WeakPolarHBondContact CB-OXT 3.29Å; S369-W392 PolarHBondContact N-OXT 2.93Å; S369-W392 PolarHBondContact OG-OXT 2.82Å; S378-W392 WeakPolarHBondContact O-CH2 3.36Å; L381-W392 HydrophobicContact CB-CH2 4.08Å; L381-W392 HydrophobicContact CB-CZ3 3.78Å; E382-W392 HydrophobicContact CB-CD2 4.21Å; E382-W392 HydrophobicContact CB-CH2 4.16Å; E382-W392 HydrophobicContact CB-CZ2 3.56Å; E382-W392 HydrophobicContact CG-CZ2 4.32Å; A385-W392 HydrophobicContact CB-CB 4.2Å; A385-W392 HydrophobicContact CB-CE3 4.17Å

Retrieved 392 of 392 residues in 211.8 ms (Link to these results)

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