A0A087XQU2_POEFO Loading...

F-box and leucine rich repeat protein 17

AlphaFold DB , UniProt , Accession A0A087XQU2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 661 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	30.2	Very low	29	Very low	254 Å²	254	164.7 Å²	164.7	100%	1.251	89%	0.887	S	S	*	*				0	136.5	0	-52	-178	-163.1	0	0	107.4
2	G	28.1	Very low	29.1	Very low	74 Å²	74	164.9 Å²	164.9	76%	0.763	89%	0.886	S	S	*	*			cis	-176.1	139.8	-7.5	0	0	0	0	0	107.4
3	H	27.9	Very low	29	Very low	185 Å²	185	168.3 Å²	168.3	86%	0.856	89%	0.888	S	S	*	*			trans	-63.2	146.5	-179.5	-89.1	-96.3	0	0	0	112
4	L	27.5	Very low	28.9	Very low	169 Å²	169	170.9 Å²	170.9	89%	0.885	89%	0.888	S	S	*	*			trans	-162.3	123.1	133.7	-108.8	162.6	0	0	0	111.5
5	L	32.4	Very low	28.7	Very low	160 Å²	160	176.4 Å²	176.4	84%	0.838	89%	0.892	S	S	*	*			trans	-79.9	144.2	164.7	-72.3	160.2	0	0	0	108.8
6	S	27.8	Very low	28.6	Very low	118 Å²	118	173.6 Å²	173.6	83%	0.825	89%	0.887	S	S	*	*			trans	-141.6	126	150.8	-168.7	0	0	0	0	111
7	K	30.6	Very low	28.5	Very low	189 Å²	189	178.2 Å²	178.2	82%	0.822	89%	0.891	S	S	*	*			trans	-78.1	134.9	171.6	-64.9	168.1	176.7	173.4	0	107.9
8	N	30.2	Very low	28.4	Very low	166 Å²	166	179.6 Å²	179.6	89%	0.888	89%	0.89	S	S	*	*			trans	-165.1	120.3	133.9	-96.9	-25.9	0	0	0	110.2
9	G	27.8	Very low	28.4	Very low	78 Å²	78	179.3 Å²	179.3	80%	0.804	89%	0.892	S	S	*	*			trans	-90.4	125.7	177.8	0	0	0	0	0	111.2
10	L	30	Very low	28.2	Very low	167 Å²	167	177.9 Å²	177.9	87%	0.874	89%	0.887	S	S	*	*			trans	-126.2	106	161.4	-88.3	166.7	0	0	0	109.3	L12	L10-L12 PolarHBondContact O-N 3.32Å
11	R	27.2	Very low	28.1	Very low	252 Å²	252	177 Å²	177	95%	0.951	88%	0.88	S	S	*	*			trans	-71.2	116.2	167.2	-86.5	178.5	161.6	-175	-4.1	108.8
12	L	29.3	Very low	27.9	Very low	167 Å²	167	175.2 Å²	175.2	87%	0.874	86%	0.86	S	S	*	*			trans	-118	135.3	161	-86.4	165	0	0	0	110.5	L10	L10-L12 PolarHBondContact O-N 3.32Å
13	K	28	Very low	27.8	Very low	209 Å²	209	181.4 Å²	181.4	91%	0.909	87%	0.866	S	S	*	*			trans	-77.9	153	-168.5	-72.4	177.3	176.2	174.9	0	112.4
14	K	27.7	Very low	27.7	Very low	205 Å²	205	183 Å²	183	89%	0.891	87%	0.87	S	S	*	*			trans	-41.6	136.3	169.8	-72.8	175	171.8	176.3	0	113
15	R	25.4	Very low	27.6	Very low	253 Å²	253	184.6 Å²	184.6	96%	0.955	87%	0.87	S	S	*	*			trans	-138.4	120.6	144.2	-108	-178.3	175.6	176.9	-0.9	110.4
16	T	27.2	Very low	27.2	Very low	132 Å²	132	186.6 Å²	186.6	81%	0.81	87%	0.872	S	S	*	*			trans	-76.9	140	173.1	37.3	0	0	0	0	110.8
17	R	27.2	Very low	27.1	Very low	251 Å²	251	191.5 Å²	191.5	95%	0.947	87%	0.872	S	S	*	*			trans	-158.1	131.9	152.8	-110.9	167	-169.1	-163.9	0.2	110.9
18	K	27	Very low	26.7	Very low	203 Å²	203	188.5 Å²	188.5	88%	0.883	87%	0.865	S	S	*	*			trans	-70.4	151.9	170.8	-63.1	175.3	175.5	178.5	0	109.5
19	L	28.1	Very low	26.5	Very low	175 Å²	175	187 Å²	187	92%	0.916	87%	0.866	S	S	*	*			trans	-148	148.1	151.2	-141.2	86.2	0	0	0	111.5
20	N	25.4	Very low	26.3	Very low	151 Å²	151	193.1 Å²	193.1	81%	0.807	87%	0.871	S	S	*	*			trans	-96.6	143.2	-173.1	-89.2	-19.2	0	0	0	113.3
21	H	26.3	Very low	26.1	Very low	160 Å²	160	193.2 Å²	193.2	74%	0.741	87%	0.871	S	S	*	*			trans	50.6	130.1	140.9	-94	34.1	0	0	0	124.2
22	R	26	Very low	25.9	Very low	215 Å²	215	190.6 Å²	190.6	81%	0.811	87%	0.87	S	S	*	*			trans	73.2	102.2	140.4	-74.2	-177	167.4	-170.2	-4.3	120.7
23	K	24.1	Very low	25.7	Very low	205 Å²	205	185.8 Å²	185.8	89%	0.891	86%	0.861	S	S	*	*				171.6	131.5	99.7	-94.8	170.9	-178.6	172.8	0	112.3
24	K	25.9	Very low	25.7	Very low	218 Å²	218	182.3 Å²	182.3	95%	0.948	86%	0.86	S	S	*	*			trans	-153.4	143.8	149.3	-105.5	177.9	-176.9	-178.4	0	109.1
25	K	25.5	Very low	25.5	Very low	203 Å²	203	178.2 Å²	178.2	88%	0.883	86%	0.855	S	S	*	*			trans	-95.5	143.2	-177.4	-93.5	176.9	169.8	177.8	0	111.1
26	K	24.5	Very low	25.3	Very low	201 Å²	201	174 Å²	174	87%	0.874	85%	0.848	S	S	*	*			trans	10.5	139.3	138.7	-73.3	179.3	173.7	-177	0	116.7
27	R	25.2	Very low	25.2	Very low	222 Å²	222	175.8 Å²	175.8	84%	0.838	85%	0.852	S	S	*	*			cis	-139.9	174.2	18.8	-83.8	-174.8	165.8	133.3	-8.1	108.2
28	N	23.2	Very low	25	Very low	126 Å²	126	168.4 Å²	168.4	67%	0.674	84%	0.838	S	S	*	*			cis	-158.9	149.6	-6.1	-115.5	13.7	0	0	0	107.7
29	C	26.6	Very low	24.8	Very low	134 Å²	134	168.6 Å²	168.6	91%	0.905	84%	0.839	S	S	*	*			trans	-167.1	135	151.9	-106	0	0	0	0	109.2
30	F	23.5	Very low	24.6	Very low	207 Å²	207	167.3 Å²	167.3	91%	0.908	83%	0.831	S	S	*	*			trans	-89.2	116	-173.4	-112	-104.3	0	0	0	111.2
31	L	24.6	Very low	24.5	Very low	169 Å²	169	166.5 Å²	166.5	89%	0.885	83%	0.832	S	S	*	*			trans	-161.2	112.2	164.6	-103.5	175.9	0	0	0	109.7
32	Q	23.2	Very low	24.4	Very low	197 Å²	197	167 Å²	167	92%	0.921	83%	0.834	S	S	*	*			trans	-178.2	142.8	147.5	-107.5	172.5	0.7	0	0	110.5
33	G	25	Very low	24.2	Very low	66 Å²	66	162 Å²	162	68%	0.68	83%	0.832	S	S	*	*			trans	-76.8	-175.6	161.9	0	0	0	0	0	111.6
34	P	28	Very low	24.2	Very low	136 Å²	136	160 Å²	160	88%	0.883	83%	0.831	S	S	*	*				-145	-179.5	103.5	38.2	-22.9	0	0	0	115
35	C	23.2	Very low	24.1	Very low	118 Å²	118	154.4 Å²	154.4	80%	0.797	82%	0.819	S	S	*	*			trans	-89.5	168.3	-173.4	-45.8	0	0	0	0	114
36	M	22.3	Very low	24.2	Very low	164 Å²	164	150.8 Å²	150.8	81%	0.808	82%	0.82	S	S	*	*			trans	53.3	118.7	147	-72.3	-82.5	-80.5	0	0	119.5
37	L	24.4	Very low	24.1	Very low	171 Å²	171	144.5 Å²	144.5	90%	0.895	81%	0.812	S	S	*	*			trans	-145.6	111.8	156.4	-119.1	155.6	0	0	0	110.5
38	C	22.8	Very low	24.3	Very low	95 Å²	95	141.5 Å²	141.5	64%	0.642	81%	0.812	S	S	*	*			trans	-83.9	146.9	170.2	-61.8	0	0	0	0	110
39	F	22.3	Very low	24.5	Very low	207 Å²	207	142.2 Å²	142.2	91%	0.908	82%	0.816	S	S	*	*			trans	-91.4	122.8	163.6	-84.5	-90.4	0	0	0	110
40	I	24.3	Very low	24.5	Very low	148 Å²	148	143 Å²	143	76%	0.759	81%	0.811	S	S	*	*			trans	-129.7	126.8	159.3	-67.7	-178.4	0	0	0	107.5
41	V	24.5	Very low	24.8	Very low	134 Å²	134	140.3 Å²	140.3	81%	0.812	81%	0.806	S	S	*	*			trans	-80.2	141.4	173.9	175.8	0	0	0	0	109.3
42	H	23.7	Very low	24.9	Very low	170 Å²	170	137.3 Å²	137.3	79%	0.787	80%	0.799	S	S	*	*			trans	-82.2	175.4	-174.4	-88.9	51	0	0	0	114.6
43	S	22.4	Very low	25.1	Very low	112 Å²	112	135.2 Å²	135.2	78%	0.783	79%	0.794	S	S	*	*			trans	93.9	134.3	171	72.8	0	0	0	0	115.6
44	N	23	Very low	25.3	Very low	162 Å²	162	139.2 Å²	139.2	87%	0.866	80%	0.8	S	S	*	*			cis	-142.2	174.1	10.9	-126.1	8	0	0	0	114.5
45	S	24.3	Very low	25.3	Very low	100 Å²	100	138 Å²	138	70%	0.699	79%	0.79	S	S	*	*			trans	-104	144.9	-163.1	55.2	0	0	0	0	116.9
46	S	26.8	Very low	25.5	Very low	127 Å²	127	140 Å²	140	89%	0.888	79%	0.793	S	S	*	*			trans	151.1	141.2	148.5	57.8	0	0	0	0	109.3
47	G	23.9	Very low	25.6	Very low	69 Å²	69	136 Å²	136	71%	0.711	79%	0.794	S	S	*	*			cis	143.2	134.9	1	0	0	0	0	0	110.4
48	L	28.5	Very low	25.6	Very low	160 Å²	160	134 Å²	134	84%	0.838	79%	0.792	S	S	*	*			trans	82.1	105.5	174.9	-51.6	173.3	0	0	0	118.7
49	D	26.4	Very low	25.7	Very low	141 Å²	141	141.4 Å²	141.4	75%	0.754	81%	0.807	S	S	*	*				53.9	151.1	111.8	-48.3	-24.4	0	0	0	124.7
50	D	28.1	Very low	25.9	Very low	150 Å²	150	139.8 Å²	139.8	80%	0.802	80%	0.801	S	S	*	*			trans	79.7	108.9	161.7	-68.1	-5.1	0	0	0	123.9
51	D	28.5	Very low	26	Very low	150 Å²	150	140.8 Å²	140.8	80%	0.802	81%	0.809	S	S	*	*				57.3	147.3	125.2	-83.9	-15.1	0	0	0	126.9
52	S	28.3	Very low	26.1	Very low	106 Å²	106	139.6 Å²	139.6	74%	0.741	81%	0.806	S	S	*	*			trans	85.7	111	149.2	66	0	0	0	0	122.8
53	D	27.4	Very low	26.1	Very low	154 Å²	154	140.1 Å²	140.1	82%	0.824	81%	0.813	S	S	*	*				42.6	138.3	128.5	-58.5	-25.6	0	0	0	125.8
54	D	27.8	Very low	26.3	Very low	150 Å²	150	139.3 Å²	139.3	80%	0.802	81%	0.813	S	S	*	*			trans	83.1	123.2	138	-89.5	-7.7	0	0	0	125.7
55	V	28.2	Very low	26.3	Very low	110 Å²	110	135.1 Å²	135.1	67%	0.667	81%	0.808	S	S	*	*				78.9	120.7	128.9	174.3	0	0	0	0	122.9
56	N	26.5	Very low	26.3	Very low	161 Å²	161	138.1 Å²	138.1	86%	0.861	81%	0.814	S	S	*	*			trans	40.7	137	148.4	-71.9	-33.2	0	0	0	123.2
57	G	25.2	Very low	26.1	Very low	80 Å²	80	137.4 Å²	137.4	83%	0.825	81%	0.81	S	S	*	*			trans	171.9	106.3	151	0	0	0	0	0	116.9
58	C	23.8	Very low	26.3	Very low	128 Å²	128	141 Å²	141	87%	0.865	82%	0.817	S	S	*	*			trans	-84.2	146.4	165.7	-70.4	0	0	0	0	111.7
59	R	26.1	Very low	26.4	Very low	251 Å²	251	139.3 Å²	139.3	95%	0.947	82%	0.816	S	S	*	*			trans	-174.9	161.5	130.2	-103.7	163	-173	-162.4	1.7	114.8
60	H	25.8	Very low	26.4	Very low	172 Å²	172	136.1 Å²	136.1	80%	0.796	82%	0.816	S	S	*	*			trans	-74.7	164.8	-175.4	-53.9	-20.1	0	0	0	114.2
61	N	26.9	Very low	26.5	Very low	170 Å²	170	136.5 Å²	136.5	91%	0.909	82%	0.824	S	S	*	*				-159.5	150.5	115.6	-106.7	-15.4	0	0	0	113.9
62	S	25.5	Very low	26.3	Very low	108 Å²	108	133 Å²	133	76%	0.755	82%	0.822	S	S	*	*			trans	-108.2	148.5	-177.3	-49	0	0	0	0	111.4
63	I	25.4	Very low	26.4	Very low	181 Å²	181	137.2 Å²	137.2	93%	0.928	83%	0.831	S	S	*	*			trans	-139	148.7	162.4	-62.6	-174.2	0	0	0	109.3
64	A	26.1	Very low	26.5	Very low	95 Å²	95	136.4 Å²	136.4	79%	0.785	83%	0.831	S	S	*	*			trans	-123.1	154	-163.1	0	0	0	0	0	115.6
65	G	21.9	Very low	26.8	Very low	74 Å²	74	133 Å²	133	76%	0.763	83%	0.831	S	S	*	*			trans	56.7	121.5	131.9	0	0	0	0	0	123.5
66	I	25.3	Very low	27.1	Very low	163 Å²	163	134.9 Å²	134.9	84%	0.836	84%	0.836	S	S	*	*			trans	-149.2	110.4	154.1	-56.6	-176.5	0	0	0	106.1
67	S	23.1	Very low	27.2	Very low	113 Å²	113	129.9 Å²	129.9	79%	0.79	82%	0.822	S	S	*	*				76.6	127.5	77.4	-53.8	0	0	0	0	116.1
68	V	27.8	Very low	27.6	Very low	144 Å²	144	130.4 Å²	130.4	87%	0.873	82%	0.819	S	S	*	*			trans	-131.9	144.3	-175	174.4	0	0	0	0	111.4
69	P	30.8	Very low	28	Very low	125 Å²	125	128.5 Å²	128.5	81%	0.812	81%	0.812	S	S	*	*			trans	-139.7	147.3	158.4	36.9	-21.1	0	0	0	116.9
70	G	25.9	Very low	28.3	Very low	74 Å²	74	119.4 Å²	119.4	76%	0.763	79%	0.79	S	S	*	*				100.5	81.7	127.9	0	0	0	0	0	123
71	V	29.8	Very low	28.7	Very low	158 Å²	158	114.4 Å²	114.4	96%	0.958	78%	0.779	S	S	*	*			trans	27.3	137.2	133.8	-171	0	0	0	0	122.4
72	G	24.7	Very low	29.2	Very low	75 Å²	75	110.1 Å²	110.1	77%	0.773	76%	0.763	S	S	*	*			trans	177.5	109.8	152.9	0	0	0	0	0	115.4
73	E	31	Very low	29.6	Very low	196 Å²	196	111.6 Å²	111.6	92%	0.916	76%	0.755	S	S	*	*			trans	-88.4	136.8	172.9	-69.9	-176	124.9	0	0	112.5
74	V	29.8	Very low	30.1	Very low	137 Å²	137	107.2 Å²	107.2	83%	0.83	73%	0.733	S	S	*	*			trans	-146.9	123.6	155.4	-175.3	0	0	0	0	109.3
75	G	34.3	Very low	30.6	Very low	77 Å²	77	105.5 Å²	105.5	79%	0.794	72%	0.719	S	S	*	*			trans	-83.2	144.3	172.6	0	0	0	0	0	112.6
76	I	33.8	Very low	31.3	Very low	151 Å²	151	108.7 Å²	108.7	77%	0.774	72%	0.715	S	S	*	*			trans	-125.3	125.9	175.3	-60.6	179.8	0	0	0	109.4	A80	I76-A80 HydrophobicContact CG2-CB 4.42Å
77	G	28.4	Very low	31.8	Very low	56 Å²	56	109.1 Å²	109.1	58%	0.577	71%	0.705	S	S	*	*			trans	-83.6	177.5	-165.9	0	0	0	0	0	116.8	A79 A80	G77-A79 PolarHBondContact O-N 3.27Å; G77-A80 PolarHBondContact O-N 3.18Å
78	A	33.9	Very low	32.4	Very low	91 Å²	91	110.8 Å²	110.8	75%	0.752	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	-15.4	-168.5	0	0	0	0	0	117	A80 A81	A78-A80 PolarHBondContact O-N 3.35Å; A78-A81 PolarHBondContact O-N 3.11Å
79	A	31.6	Very low	32.8	Very low	88 Å²	88	108.3 Å²	108.3	73%	0.727	69%	0.69	S	S	*	*	H	α-helix	trans	-64.7	-25	176.6	0	0	0	0	0	113.7	G77	G77-A79 PolarHBondContact O-N 3.27Å
80	A	33.6	Very low	33.1	Very low	59 Å²	59	106.2 Å²	106.2	49%	0.488	68%	0.684	S	S	.	*	H	α-helix	trans	-72.3	-31.9	178.2	0	0	0	0	0	113.1	I76 G77 A78 L84	I76-A80 HydrophobicContact CG2-CB 4.42Å; G77-A80 PolarHBondContact O-N 3.18Å; A78-A80 PolarHBondContact O-N 3.35Å; A80-L84 PolarHBondContact O-N 2.56Å
81	A	34.3	Very low	33.6	Very low	68 Å²	68	106.7 Å²	106.7	56%	0.562	67%	0.668	S	S	*	*	H	α-helix	trans	-70.5	-41.3	-175.7	0	0	0	0	0	112.7	A78 K83 L84 A85	A78-A81 PolarHBondContact O-N 3.11Å; A81-K83 PolarHBondContact O-N 2.86Å; A81-L84 WeakPolarHBondContact O-CB 3.23Å; A81-L84 PolarHBondContact O-N 3.18Å; A81-A85 PolarHBondContact O-N 3.36Å; A81-A85 VanDerWaalsContact O-N 3.16Å
82	S	37.4	Very low	33.8	Very low	80 Å²	80	104.2 Å²	104.2	56%	0.559	66%	0.664	S	S	*	*	H	α-helix	trans	-63.5	-41.5	-179.9	179.5	0	0	0	0	112	L84 A85 E86	S82-L84 PolarHBondContact O-N 3.26Å; S82-A85 PolarHBondContact O-N 3.26Å; S82-E86 PolarHBondContact O-N 3.41Å
83	K	33.1	Very low	34.3	Very low	138 Å²	138	102.4 Å²	102.4	60%	0.6	64%	0.64	S	S	*	*	H	α-helix	trans	-76.2	-1.5	178.5	-142.4	169.6	-167.6	171	0	114.6	A81 R87	A81-K83 PolarHBondContact O-N 2.86Å; K83-R87 PolarHBondContact O-NE 2.86Å; K83-R87 VanDerWaalsContact O-NE 3.07Å
84	L	35.9	Very low	34.5	Very low	89 Å²	89	98.7 Å²	98.7	47%	0.466	63%	0.632	S	S	.	*	H	α-helix	trans	-96.5	-43	171.7	-155.9	77.6	0	0	0	110	A80 A81 S82 E86 R87 Y88	A80-L84 PolarHBondContact O-N 2.56Å; A81-L84 WeakPolarHBondContact O-CB 3.23Å; A81-L84 PolarHBondContact O-N 3.18Å; S82-L84 PolarHBondContact O-N 3.26Å; L84-E86 PolarHBondContact O-N 3.48Å; L84-R87 PolarHBondContact O-N 2.92Å; L84-Y88 HydrophobicContact CD2-CE2 3.74Å; L84-Y88 HydrophobicContact CG-CD2 4.28Å; L84-Y88 HydrophobicContact CG-CE2 3.65Å; L84-Y88 VanDerWaalsContact O-CD2 3.24Å; L84-Y88 WeakPolarHBondContact O-CD2 3.37Å; L84-Y88 PolarHBondContact O-N 3.31Å; L84-Y88 VanDerWaalsContact O-N 3.16Å
85	A	36.4	Very low	34.9	Very low	60 Å²	60	99.2 Å²	99.2	50%	0.496	63%	0.626	S	S	.	*	H	α-helix	trans	-58.1	-43.7	176.4	0	0	0	0	0	112.9	A81 S82 R87 Y88 A89	A81-A85 PolarHBondContact O-N 3.36Å; A81-A85 VanDerWaalsContact O-N 3.16Å; S82-A85 PolarHBondContact O-N 3.26Å; A85-R87 PolarHBondContact O-N 2.94Å; A85-Y88 PolarHBondContact O-N 3.47Å; A85-A89 PolarHBondContact O-N 3.39Å
86	E	36	Very low	35	Very low	141 Å²	141	98.9 Å²	98.9	66%	0.659	61%	0.606	S	S	*	*	H	α-helix	trans	-62	-25.7	175.4	-69.7	-176.4	144.6	0	0	113.5	S82 L84	S82-E86 PolarHBondContact O-N 3.41Å; L84-E86 PolarHBondContact O-N 3.48Å
87	R	35.8	Very low	34.9	Very low	171 Å²	171	95.1 Å²	95.1	65%	0.645	59%	0.592	S	S	*	*	H	α-helix	trans	-82.6	-33.4	176.8	-62	-171.6	-142.5	-159.4	5.6	112.7	K83 L84 A85 A89 A90	K83-R87 PolarHBondContact O-NE 2.86Å; K83-R87 VanDerWaalsContact O-NE 3.07Å; L84-R87 PolarHBondContact O-N 2.92Å; A85-R87 PolarHBondContact O-N 2.94Å; R87-A89 VanDerWaalsContact C-N 3.26Å; R87-A89 PolarHBondContact O-N 3.3Å; R87-A90 PolarHBondContact O-N 3.31Å
88	Y	35.7	Very low	35.3	Very low	149 Å²	149	96.8 Å²	96.8	58%	0.584	60%	0.595	S	S	*	*	H	α-helix	trans	-66	-30.8	173.7	-73.9	-64.3	0	0	0	112.3	L84 A85 A90 L91	L84-Y88 HydrophobicContact CD2-CE2 3.74Å; L84-Y88 HydrophobicContact CG-CD2 4.28Å; L84-Y88 HydrophobicContact CG-CE2 3.65Å; L84-Y88 VanDerWaalsContact O-CD2 3.24Å; L84-Y88 WeakPolarHBondContact O-CD2 3.37Å; L84-Y88 PolarHBondContact O-N 3.31Å; L84-Y88 VanDerWaalsContact O-N 3.16Å; A85-Y88 PolarHBondContact O-N 3.47Å; Y88-A90 PolarHBondContact O-N 3.39Å; Y88-A90 VanDerWaalsContact O-N 3.16Å; Y88-L91 HydrophobicContact CD1-CD1 3.8Å; Y88-L91 HydrophobicContact CE1-CD1 4.46Å; Y88-L91 PolarHBondContact O-N 2.97Å
89	A	37	Very low	35.3	Very low	92 Å²	92	99.5 Å²	99.5	76%	0.76	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-11.5	177.9	0	0	0	0	0	114.9	A85 R87	A85-A89 PolarHBondContact O-N 3.39Å; R87-A89 VanDerWaalsContact C-N 3.26Å; R87-A89 PolarHBondContact O-N 3.3Å
90	A	37.1	Very low	35.4	Very low	81 Å²	81	104.2 Å²	104.2	67%	0.669	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	2.5	-179	0	0	0	0	0	114.3	R87 Y88 A92	R87-A90 PolarHBondContact O-N 3.31Å; Y88-A90 PolarHBondContact O-N 3.39Å; Y88-A90 VanDerWaalsContact O-N 3.16Å; A90-A92 PolarHBondContact O-N 2.94Å
91	L	36.9	Very low	35.3	Very low	83 Å²	83	108.8 Å²	108.8	44%	0.435	61%	0.61	S	S	.	*			trans	-89.7	102.6	-174.5	-63.8	173	0	0	0	111.7	Y88 D96	Y88-L91 HydrophobicContact CD1-CD1 3.8Å; Y88-L91 HydrophobicContact CE1-CD1 4.46Å; Y88-L91 PolarHBondContact O-N 2.97Å; L91-D96 HydrophobicContact CD2-CB 4.38Å
92	A	34	Very low	35.4	Very low	107 Å²	107	110.7 Å²	110.7	88%	0.884	61%	0.61	S	S	*	*			trans	-97.8	5.1	-176.9	0	0	0	0	0	115	A90	A90-A92 PolarHBondContact O-N 2.94Å
93	S	34.8	Very low	35.7	Very low	36 Å²	36	109.9 Å²	109.9	25%	0.252	60%	0.604	S	S	.	*			trans	-140.4	146.5	-179.8	96.1	0	0	0	0	113	E95 D96	S93-E95 PolarHBondContact O-N 2.83Å; S93-E95 PolarHBondContact OG-N 3.33Å; S93-D96 PolarHBondContact OG-N 2.8Å; S93-D96 PolarHBondContact OG-OD2 3.01Å
94	P	34.8	Very low	36	Very low	118 Å²	118	112 Å²	112	77%	0.766	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-20.7	173.3	-21.6	34.1	0	0	0	114.4
95	E	38	Very low	36.1	Very low	149 Å²	149	117.7 Å²	117.7	70%	0.696	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-29.7	-171.3	-63.6	179.5	160.7	0	0	111.9	S93 S98	S93-E95 PolarHBondContact O-N 2.83Å; S93-E95 PolarHBondContact OG-N 3.33Å; E95-S98 PolarHBondContact O-N 2.99Å; E95-S98 PolarHBondContact O-OG 3.49Å
96	D	35.8	Very low	36.2	Very low	69 Å²	69	119.4 Å²	119.4	37%	0.369	63%	0.629	S	S	.	*	G	3₁₀ helix	trans	-75.3	-25.1	179.7	-66.2	-53.3	0	0	0	113.7	L91 S93 S98 K99	L91-D96 HydrophobicContact CD2-CB 4.38Å; S93-D96 PolarHBondContact OG-N 2.8Å; S93-D96 PolarHBondContact OG-OD2 3.01Å; D96-S98 PolarHBondContact O-N 3Å; D96-K99 PolarHBondContact O-N 3.3Å; D96-K99 IonicContact OD1-NZ 2.98Å; D96-K99 PolarHBondContact OD1-NZ 3.44Å; D96-K99 VanDerWaalsContact OD1-NZ 3.16Å
97	C	33.1	Very low	36.5	Very low	72 Å²	72	116.8 Å²	116.8	49%	0.486	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-61.9	-23.7	173.7	-70.7	0	0	0	0	113.2	K99	C97-K99 VanDerWaalsContact C-N 3.27Å; C97-K99 PolarHBondContact O-N 3.44Å
98	S	35.1	Very low	36.9	Very low	91 Å²	91	111.4 Å²	111.4	64%	0.636	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-70.6	-18	-177.6	69.1	0	0	0	0	114.5	E95 D96	E95-S98 PolarHBondContact O-N 2.99Å; E95-S98 PolarHBondContact O-OG 3.49Å; D96-S98 PolarHBondContact O-N 3Å
99	K	34.2	Very low	37.2	Very low	148 Å²	148	109.8 Å²	109.8	64%	0.643	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-93.4	-4.3	-168.9	-64.3	170.5	-170.4	152	0	114.9	D96 C97	D96-K99 PolarHBondContact O-N 3.3Å; D96-K99 IonicContact OD1-NZ 2.98Å; D96-K99 PolarHBondContact OD1-NZ 3.44Å; D96-K99 VanDerWaalsContact OD1-NZ 3.16Å; C97-K99 VanDerWaalsContact C-N 3.27Å; C97-K99 PolarHBondContact O-N 3.44Å
100	F	35.5	Very low	37.2	Very low	188 Å²	188	113.4 Å²	113.4	83%	0.825	61%	0.606	S	S	*	*			trans	-125.6	11.2	-165.9	-92.9	-78.2	0	0	0	116.5	L102	F100-L102 PolarHBondContact O-N 3.23Å
101	L	31	Very low	37.3	Very low	155 Å²	155	115.9 Å²	115.9	81%	0.812	60%	0.604	S	S	*	*	S	Bend	trans	-94.5	92.8	-178.5	-68.1	174.3	0	0	0	112.4
102	L	36.3	Very low	37.2	Very low	107 Å²	107	115.2 Å²	115.2	56%	0.56	62%	0.617	S	S	*	*			trans	61.5	127.6	168.8	-56.7	176	0	0	0	116.5	F100 E106	F100-L102 PolarHBondContact O-N 3.23Å; L102-E106 HydrophobicContact CB-CB 4.26Å; L102-E106 HydrophobicContact CD2-CB 4Å
103	S	42.9	Very low	37.3	Very low	64 Å²	64	116.4 Å²	116.4	45%	0.448	60%	0.604	S	S	.	*			trans	-67.3	154.9	166.5	69.8	0	0	0	0	110.7	R105 E106 L107	S103-R105 PolarHBondContact O-N 2.68Å; S103-E106 VanDerWaalsContact CB-OE2 3.29Å; S103-E106 WeakPolarHBondContact CB-OE2 3.43Å; S103-E106 PolarHBondContact N-OE2 2.96Å; S103-E106 PolarHBondContact O-N 2.64Å; S103-E106 PolarHBondContact OG-OE2 3.02Å; S103-L107 PolarHBondContact O-N 3.47Å
104	Q	39.7	Very low	37.3	Very low	182 Å²	182	117.9 Å²	117.9	85%	0.85	63%	0.625	S	S	*	*	H	α-helix	trans	-53.2	-26.2	178.5	-73.5	-171.5	-14.8	0	0	113.6	A108	Q104-A108 PolarHBondContact O-N 2.92Å
105	R	37.6	Very low	37.6	Very low	209 Å²	209	123.2 Å²	123.2	79%	0.789	63%	0.63	S	S	*	*	H	α-helix	trans	-72.4	-34.7	179.3	-140.1	176.7	-166.2	177.7	3	112.7	S103 I109	S103-R105 PolarHBondContact O-N 2.68Å; R105-I109 WeakPolarHBondContact O-CD1 3.2Å; R105-I109 WeakPolarHBondContact O-CG1 3.16Å; R105-I109 PolarHBondContact O-N 3.45Å
106	E	39.8	Very low	37.4	Very low	96 Å²	96	119.5 Å²	119.5	45%	0.449	62%	0.621	S	S	.	*	H	α-helix	trans	-77.7	-34.1	179.6	-66.8	158.5	121.6	0	0	111.3	L102 S103 I109 W110	L102-E106 HydrophobicContact CB-CB 4.26Å; L102-E106 HydrophobicContact CD2-CB 4Å; S103-E106 VanDerWaalsContact CB-OE2 3.29Å; S103-E106 WeakPolarHBondContact CB-OE2 3.43Å; S103-E106 PolarHBondContact N-OE2 2.96Å; S103-E106 PolarHBondContact O-N 2.64Å; S103-E106 PolarHBondContact OG-OE2 3.02Å; E106-I109 PolarHBondContact O-N 3.49Å; E106-W110 PolarHBondContact O-N 3.4Å
107	L	42.1	Very low	37.5	Very low	85 Å²	85	121.5 Å²	121.5	45%	0.445	63%	0.631	S	S	.	*	H	α-helix	trans	-61.6	-46.4	173.8	-154.4	78.7	0	0	0	111.5	S103 I109 W110 E111	S103-L107 PolarHBondContact O-N 3.47Å; L107-I109 PolarHBondContact O-N 2.64Å; L107-W110 WeakPolarHBondContact O-CB 3.38Å; L107-W110 PolarHBondContact O-N 2.88Å; L107-W110 VanDerWaalsContact O-N 3.09Å; L107-E111 PolarHBondContact O-N 3.49Å
108	A	42.9	Very low	37.7	Very low	59 Å²	59	122.9 Å²	122.9	49%	0.488	63%	0.633	S	S	.	*	H	α-helix	trans	-64.2	-35.5	180	0	0	0	0	0	113.5	Q104 W110 G112	Q104-A108 PolarHBondContact O-N 2.92Å; A108-W110 VanDerWaalsContact C-N 3.26Å; A108-W110 PolarHBondContact O-N 2.84Å; A108-G112 PolarHBondContact O-N 3.45Å
109	I	42.1	Very low	37.9	Very low	114 Å²	114	123.8 Å²	123.8	59%	0.585	64%	0.639	S	S	*	*	H	α-helix	trans	-65.9	-33	174.7	-68	166.1	0	0	0	110.9	R105 E106 L107	R105-I109 WeakPolarHBondContact O-CD1 3.2Å; R105-I109 WeakPolarHBondContact O-CG1 3.16Å; R105-I109 PolarHBondContact O-N 3.45Å; E106-I109 PolarHBondContact O-N 3.49Å; L107-I109 PolarHBondContact O-N 2.64Å
110	W	36.9	Very low	38.1	Very low	169 Å²	169	120.2 Å²	120.2	64%	0.64	64%	0.637	S	S	*	*	H	α-helix	trans	-76.6	-39.9	-179.6	-147.5	70.3	0	0	0	112.6	E106 L107 A108 G112 Q113	E106-W110 PolarHBondContact O-N 3.4Å; L107-W110 WeakPolarHBondContact O-CB 3.38Å; L107-W110 PolarHBondContact O-N 2.88Å; L107-W110 VanDerWaalsContact O-N 3.09Å; A108-W110 VanDerWaalsContact C-N 3.26Å; A108-W110 PolarHBondContact O-N 2.84Å; W110-G112 VanDerWaalsContact C-N 3.32Å; W110-G112 PolarHBondContact O-N 3.13Å; W110-Q113 PolarHBondContact O-N 3.48Å
111	E	40.3	Very low	38	Very low	133 Å²	133	114.2 Å²	114.2	62%	0.621	62%	0.616	S	S	*	*	H	α-helix	trans	-64.1	-35.5	174.5	-69.5	-177.1	148.8	0	0	112.4	L107 Q113 G114	L107-E111 PolarHBondContact O-N 3.49Å; E111-Q113 PolarHBondContact O-N 3.25Å; E111-Q113 VanDerWaalsContact O-N 3.09Å; E111-G114 PolarHBondContact O-N 3.16Å
112	G	34	Very low	38.2	Very low	69 Å²	69	110.9 Å²	110.9	71%	0.711	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-11.6	177.6	0	0	0	0	0	115.8	A108 W110	A108-G112 PolarHBondContact O-N 3.45Å; W110-G112 VanDerWaalsContact C-N 3.32Å; W110-G112 PolarHBondContact O-N 3.13Å
113	Q	37	Very low	37.9	Very low	131 Å²	131	110.4 Å²	110.4	61%	0.612	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	8.5	-178.3	-64.8	-173.1	-0.1	0	0	114.5	W110 E111 R115	W110-Q113 PolarHBondContact O-N 3.48Å; E111-Q113 PolarHBondContact O-N 3.25Å; E111-Q113 VanDerWaalsContact O-N 3.09Å; Q113-R115 PolarHBondContact O-N 3.33Å
114	G	34.6	Very low	37.6	Very low	68 Å²	68	116.7 Å²	116.7	70%	0.701	63%	0.634	S	S	*	*			trans	68.7	5.8	167.5	0	0	0	0	0	116.4	E111 S116	E111-G114 PolarHBondContact O-N 3.16Å; G114-S116 VanDerWaalsContact C-N 3.27Å; G114-S116 PolarHBondContact O-N 3.06Å; G114-S116 VanDerWaalsContact O-N 3.12Å
115	R	41.2	Very low	37.2	Very low	230 Å²	230	112 Å²	112	87%	0.868	61%	0.614	S	S	*	*			trans	-89.4	59.8	178	-69.1	-173.9	179.5	-95.4	-0.3	111.7	Q113 L117	Q113-R115 PolarHBondContact O-N 3.33Å; R115-L117 PolarHBondContact O-N 2.99Å
116	S	34.4	Very low	37	Very low	71 Å²	71	108.4 Å²	108.4	50%	0.497	61%	0.609	S	S	.	*			trans	-78.4	110.8	-177.2	-176.8	0	0	0	0	113	G114 L118 S119	G114-S116 VanDerWaalsContact C-N 3.27Å; G114-S116 PolarHBondContact O-N 3.06Å; G114-S116 VanDerWaalsContact O-N 3.12Å; S116-L118 PolarHBondContact OG-N 2.92Å; S116-S119 WeakPolarHBondContact OG-CB 3.39Å; S116-S119 PolarHBondContact OG-N 2.84Å; S116-S119 PolarHBondContact OG-OG 2.66Å
117	L	37.2	Very low	36.5	Very low	111 Å²	111	108.8 Å²	108.8	58%	0.581	62%	0.62	S	S	*	*	S	Bend	trans	-100.4	-6.8	150.8	-141.4	142.9	0	0	0	110.9	R115 L306	R115-L117 PolarHBondContact O-N 2.99Å; L117-L306 HydrophobicContact CD1-CD1 4.25Å
118	L	36.6	Very low	36	Very low	101 Å²	101	110 Å²	110	53%	0.529	63%	0.633	S	S	.	*	S	Bend	trans	-95.1	-14.1	-173.3	-66.4	173.5	0	0	0	114.1	S116 A120 V121	S116-L118 PolarHBondContact OG-N 2.92Å; L118-A120 PolarHBondContact O-N 2.76Å; L118-V121 HydrophobicContact CD2-CB 4.39Å; L118-V121 HydrophobicContact CD2-CG2 4.04Å; L118-V121 WeakPolarHBondContact O-CB 3.42Å; L118-V121 PolarHBondContact O-N 3.37Å; L118-V121 VanDerWaalsContact O-O 3.06Å
119	S	39.2	Very low	35.4	Very low	110 Å²	110	112.3 Å²	112.3	77%	0.769	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-5.8	170	61.4	0	0	0	0	113.6	S116	S116-S119 WeakPolarHBondContact OG-CB 3.39Å; S116-S119 PolarHBondContact OG-N 2.84Å; S116-S119 PolarHBondContact OG-OG 2.66Å
120	A	38	Very low	34.7	Very low	73 Å²	73	113 Å²	113	60%	0.603	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	0.3	168.1	0	0	0	0	0	112.9	L118	L118-A120 PolarHBondContact O-N 2.76Å
121	V	34.9	Very low	34.3	Very low	62 Å²	62	112 Å²	112	38%	0.376	66%	0.659	S	S	.	*	S	Bend	trans	-106.2	114.3	175.5	-178.3	0	0	0	0	107.3	L118 A123 L125	L118-V121 HydrophobicContact CD2-CB 4.39Å; L118-V121 HydrophobicContact CD2-CG2 4.04Å; L118-V121 WeakPolarHBondContact O-CB 3.42Å; L118-V121 PolarHBondContact O-N 3.37Å; L118-V121 VanDerWaalsContact O-O 3.06Å; V121-A123 PolarHBondContact O-N 3.41Å; V121-L125 HydrophobicContact CG1-CB 4.47Å; V121-L125 HydrophobicContact CG1-CD1 3.51Å
122	P	33.6	Very low	33.7	Very low	85 Å²	85	114.6 Å²	114.6	55%	0.552	67%	0.668	S	S	*	*			trans	-58.4	127.8	177.4	-24.2	33.7	0	0	0	110.4	K124 L125	P122-K124 PolarHBondContact O-N 3.04Å; P122-L125 PolarHBondContact O-N 2.93Å
123	A	32	Very low	33.5	Very low	96 Å²	96	122.7 Å²	122.7	79%	0.793	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-59.4	-1.5	-179.8	0	0	0	0	0	114.8	V121 L125	V121-A123 PolarHBondContact O-N 3.41Å; A123-L125 VanDerWaalsContact C-N 3.31Å
124	K	35.2	Very low	33.1	Very low	196 Å²	196	123.1 Å²	123.1	85%	0.852	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-81.3	-0.8	172.3	-66.9	-177.9	175.3	178.7	0	114.3	P122 I126	P122-K124 PolarHBondContact O-N 3.04Å; K124-I126 VanDerWaalsContact C-N 3.25Å
125	L	32.2	Very low	32.7	Very low	84 Å²	84	124.4 Å²	124.4	44%	0.44	69%	0.693	S	S	.	*	G	3₁₀ helix	trans	-77.9	-7.4	173.4	-88.8	159.6	0	0	0	114.1	V121 P122 A123 Q321	V121-L125 HydrophobicContact CG1-CB 4.47Å; V121-L125 HydrophobicContact CG1-CD1 3.51Å; P122-L125 PolarHBondContact O-N 2.93Å; A123-L125 VanDerWaalsContact C-N 3.31Å; L125-Q321 HydrophobicContact CD1-CB 4.4Å; L125-Q321 HydrophobicContact CD1-CG 4.23Å; L125-Q321 HydrophobicContact CD2-CB 4.07Å; L125-Q321 HydrophobicContact CD2-CG 4.01Å; L125-Q321 HydrophobicContact CG-CB 4.36Å
126	I	33.6	Very low	32.3	Very low	134 Å²	134	117.2 Å²	117.2	69%	0.687	69%	0.691	S	S	*	*	S	Bend	trans	-99.7	114.6	164	-56.6	173.6	0	0	0	106.7	K124	K124-I126 VanDerWaalsContact C-N 3.25Å
127	P	28.6	Very low	31.8	Very low	104 Å²	104	120 Å²	120	68%	0.675	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-64.6	134.4	170.2	27.6	-32.3	0	0	0	108.5
128	P	31.1	Very low	31.4	Very low	110 Å²	110	120.2 Å²	120.2	71%	0.714	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-61.1	141.1	173.1	27.1	-33.6	0	0	0	108.9	V130	P128-V130 PolarHBondContact O-N 3.39Å
129	P	29.8	Very low	30.9	Very low	107 Å²	107	121.6 Å²	121.6	70%	0.695	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-58.6	133.2	174.7	25.2	-33.2	0	0	0	109.1	L131	P129-L131 VanDerWaalsContact C-N 3.27Å; P129-L131 PolarHBondContact O-N 2.89Å
130	V	28	Very low	30.2	Very low	128 Å²	128	122.5 Å²	122.5	78%	0.776	73%	0.728	S	S	*	*			trans	-66.4	92.7	172.1	178.7	0	0	0	0	107.6	P128 F132	P128-V130 PolarHBondContact O-N 3.39Å; V130-F132 VanDerWaalsContact C-N 3.34Å; V130-F132 HydrophobicContact CG1-CD2 4.4Å; V130-F132 HydrophobicContact CG1-CE2 4.49Å; V130-F132 PolarHBondContact O-N 3.26Å
131	L	29.2	Very low	29.7	Very low	149 Å²	149	125.4 Å²	125.4	78%	0.78	74%	0.738	S	S	*	*			trans	-67.3	95.3	171.7	-77.2	170.7	0	0	0	108.5	P129 R133	P129-L131 VanDerWaalsContact C-N 3.27Å; P129-L131 PolarHBondContact O-N 2.89Å; L131-R133 VanDerWaalsContact C-N 3.28Å; L131-R133 PolarHBondContact O-N 3.47Å
132	F	28.2	Very low	29.3	Very low	188 Å²	188	127.9 Å²	127.9	83%	0.825	76%	0.756	S	S	*	*			trans	-57.6	96.6	156.4	-91.7	-89.1	0	0	0	108.1	V130 T134	V130-F132 VanDerWaalsContact C-N 3.34Å; V130-F132 HydrophobicContact CG1-CD2 4.4Å; V130-F132 HydrophobicContact CG1-CE2 4.49Å; V130-F132 PolarHBondContact O-N 3.26Å; F132-T134 PolarHBondContact O-N 3.32Å; F132-T134 VanDerWaalsContact O-N 3.11Å
133	R	27.8	Very low	29	Very low	238 Å²	238	131 Å²	131	90%	0.898	77%	0.766	S	S	*	*			trans	-65.9	110	164.7	-88.6	-172.3	172.2	-177.4	-1.5	107.8	L131 A135	L131-R133 VanDerWaalsContact C-N 3.28Å; L131-R133 PolarHBondContact O-N 3.47Å; R133-A135 PolarHBondContact O-N 3.22Å
134	T	28.6	Very low	28.9	Very low	140 Å²	140	132.3 Å²	132.3	86%	0.859	77%	0.767	S	S	*	*			trans	-57.6	102.6	165.1	47	0	0	0	0	109.9	F132	F132-T134 PolarHBondContact O-N 3.32Å; F132-T134 VanDerWaalsContact O-N 3.11Å
135	A	26.9	Very low	28.5	Very low	95 Å²	95	129.8 Å²	129.8	79%	0.785	77%	0.768	S	S	*	*			trans	-82.7	116.2	155.2	0	0	0	0	0	106.9	R133 V137	R133-A135 PolarHBondContact O-N 3.22Å; A135-V137 PolarHBondContact O-N 3.15Å
136	G	32.4	Very low	28.3	Very low	79 Å²	79	130.1 Å²	130.1	81%	0.814	78%	0.782	S	S	*	*			trans	-70	126.4	-174.7	0	0	0	0	0	112.2
137	V	25.3	Very low	27.9	Very low	130 Å²	130	130.6 Å²	130.6	79%	0.788	79%	0.791	S	S	*	*			trans	-130.5	118.7	156.3	180	0	0	0	0	107.1	A135	A135-V137 PolarHBondContact O-N 3.15Å
138	S	27.8	Very low	27.8	Very low	116 Å²	116	131.9 Å²	131.9	81%	0.811	80%	0.799	S	S	*	*			trans	-70.7	125.8	175.1	52.7	0	0	0	0	110.5
139	V	26.1	Very low	27.6	Very low	129 Å²	129	129.8 Å²	129.8	78%	0.782	80%	0.798	S	S	*	*			trans	-120.8	120.5	162.5	-177.6	0	0	0	0	107.8
140	T	24.9	Very low	27.3	Very low	129 Å²	129	130.6 Å²	130.6	79%	0.791	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-70.6	138.6	-179.6	33	0	0	0	0	111.2	P142	T140-P142 WeakPolarHBondContact O-CD 3.49Å
141	V	27.5	Very low	27.2	Very low	134 Å²	134	130.9 Å²	130.9	81%	0.812	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-88.7	121.8	171.4	179	0	0	0	0	108.9
142	P	26.8	Very low	27.1	Very low	114 Å²	114	128.8 Å²	128.8	74%	0.74	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-80.2	130.1	166.9	-8.5	26.7	0	0	0	110.5	T140	T140-P142 WeakPolarHBondContact O-CD 3.49Å
143	I	27.6	Very low	26.9	Very low	151 Å²	151	127.9 Å²	127.9	77%	0.774	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-74.3	137.5	168.4	-63.2	163.9	0	0	0	108.5
144	P	28.6	Very low	26.7	Very low	124 Å²	124	127.5 Å²	127.5	81%	0.805	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-75.2	132.3	175.5	-10.8	26.9	0	0	0	112
145	V	27.6	Very low	26.4	Very low	143 Å²	143	126.8 Å²	126.8	87%	0.867	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-101	139.7	164.7	176.9	0	0	0	0	108.4
146	A	27	Very low	26.3	Very low	91 Å²	91	130.6 Å²	130.6	75%	0.752	80%	0.801	S	S	*	*			trans	-108.9	136.3	-171.3	0	0	0	0	0	113.4
147	V	26.2	Very low	25.8	Very low	144 Å²	144	134.7 Å²	134.7	87%	0.873	80%	0.8	S	S	*	*			trans	-160.2	160.5	154.2	-102.4	0	0	0	0	109.3
148	P	27.5	Very low	25.7	Very low	130 Å²	130	133.3 Å²	133.3	84%	0.844	79%	0.792	S	S	*	*			trans	-128.9	175.6	-137.7	36.9	-18.8	0	0	0	116
149	G	25.5	Very low	25.4	Very low	67 Å²	67	134.3 Å²	134.3	69%	0.691	80%	0.798	S	S	*	*			trans	140.6	111.9	152.7	0	0	0	0	0	116.7
150	C	24.1	Very low	25.2	Very low	124 Å²	124	136.8 Å²	136.8	84%	0.838	80%	0.798	S	S	*	*			trans	60	142.1	152.9	-59.4	0	0	0	0	119.2
151	T	24.7	Very low	25.2	Very low	134 Å²	134	142 Å²	142	82%	0.822	80%	0.803	S	S	*	*			cis	-166.3	170.8	-10.2	16.1	0	0	0	0	107.1
152	S	27.7	Very low	25	Very low	105 Å²	105	145.1 Å²	145.1	73%	0.734	81%	0.806	S	S	*	*			trans	93.7	84	168.4	-155.4	0	0	0	0	117.3
153	E	24.6	Very low	24.8	Very low	169 Å²	169	145.5 Å²	145.5	79%	0.79	81%	0.81	S	S	*	*				49.5	95.3	127.6	-60.3	-179.9	168.7	0	0	119.3
154	Y	23.8	Very low	24.7	Very low	229 Å²	229	143.1 Å²	143.1	90%	0.898	81%	0.806	S	S	*	*				-169.6	119	99.6	-118.4	-96.7	0	0	0	109.4
155	T	22.9	Very low	24.5	Very low	125 Å²	125	145.6 Å²	145.6	77%	0.767	81%	0.807	S	S	*	*			trans	-121.8	137.9	169.2	27.3	0	0	0	0	110.9
156	E	24.3	Very low	24.4	Very low	175 Å²	175	145.9 Å²	145.9	82%	0.818	81%	0.809	S	S	*	*			trans	17.4	129.7	151.5	-52.6	-174.8	125.6	0	0	119.1
157	M	21.7	Very low	24.3	Very low	165 Å²	165	149.4 Å²	149.4	81%	0.813	81%	0.81	S	S	*	*				-178.1	142.6	90.9	-97.9	-155.3	-76.9	0	0	114.2
158	V	22.2	Very low	24.2	Very low	101 Å²	101	154 Å²	154	61%	0.612	81%	0.812	S	S	*	*			trans	45.4	119.2	134.2	-176.3	0	0	0	0	118.8	K160	V158-K160 HydrophobicContact CG1-CB 4.44Å; V158-K160 HydrophobicContact CG1-CG 3.73Å
159	C	21.4	Very low	24	Very low	137 Å²	137	154.2 Å²	154.2	93%	0.926	81%	0.814	S	S	*	*			trans	-104.5	110.6	146.4	-144.4	0	0	0	0	110.5
160	K	22.5	Very low	24.1	Very low	182 Å²	182	156.4 Å²	156.4	79%	0.791	82%	0.815	S	S	*	*			trans	-72.4	152.7	174.8	-86.3	168.9	178.2	171.8	0	110.6	V158	V158-K160 HydrophobicContact CG1-CB 4.44Å; V158-K160 HydrophobicContact CG1-CG 3.73Å
161	R	25.7	Very low	24.1	Very low	237 Å²	237	156.3 Å²	156.3	89%	0.894	81%	0.812	S	S	*	*			trans	-53.6	145.4	160.9	-68.5	175.9	175.1	164.1	-2.7	110.8
162	K	22.9	Very low	24.1	Very low	200 Å²	200	156 Å²	156	87%	0.87	82%	0.815	S	S	*	*			trans	-138.9	114.4	145.7	-133.9	-178.7	-176	-173.7	0	108.9
163	C	23.3	Very low	24	Very low	123 Å²	123	160.5 Å²	160.5	83%	0.831	82%	0.821	S	S	*	*			trans	-82.3	135.4	164.8	-65.1	0	0	0	0	108.2
164	S	23.9	Very low	24.1	Very low	100 Å²	100	160.9 Å²	160.9	70%	0.699	82%	0.823	S	S	*	*			trans	-149.4	115.4	161	49.1	0	0	0	0	109.1
165	E	25.2	Very low	24.2	Very low	177 Å²	177	156 Å²	156	83%	0.827	82%	0.819	S	S	*	*			trans	62.5	75.5	151.1	-57.9	179.3	-167.9	0	0	118.3	Q167	E165-Q167 PolarHBondContact O-N 3.17Å
166	V	25.5	Very low	24.3	Very low	148 Å²	148	161.6 Å²	161.6	90%	0.897	83%	0.826	S	S	*	*			trans	-80.7	101.3	146.7	178.2	0	0	0	0	107.9
167	Q	24.8	Very low	24.4	Very low	165 Å²	165	159.2 Å²	159.2	77%	0.771	83%	0.827	S	S	*	*			trans	-65.9	149	166	-80.5	-168.7	-12.4	0	0	110.7	E165 C169	E165-Q167 PolarHBondContact O-N 3.17Å; Q167-C169 PolarHBondContact O-N 2.59Å
168	R	23.1	Very low	24.7	Very low	242 Å²	242	156 Å²	156	91%	0.913	83%	0.827	S	S	*	*			trans	-68.9	113.5	-179.4	-65.4	173.2	175.8	134.8	-3.7	110.9	T170	R168-T170 PolarHBondContact O-N 2.9Å
169	C	24	Very low	24.8	Very low	133 Å²	133	161.3 Å²	161.3	90%	0.899	84%	0.842	S	S	*	*			trans	-73.1	115	156.7	-73.1	0	0	0	0	109.1	Q167	Q167-C169 PolarHBondContact O-N 2.59Å
170	T	27.4	Very low	25.2	Very low	114 Å²	114	159.4 Å²	159.4	70%	0.699	84%	0.837	S	S	*	*			trans	-63.5	151.3	175.4	44.3	0	0	0	0	112	R168 C172	R168-T170 PolarHBondContact O-N 2.9Å; T170-C172 PolarHBondContact O-N 3.28Å; T170-C172 VanDerWaalsContact O-N 3.11Å
171	P	24.2	Very low	25.4	Very low	121 Å²	121	156.9 Å²	156.9	79%	0.786	84%	0.837	S	S	*	*			trans	-64.9	113.8	177.5	26.9	-34.1	0	0	0	110.9	K173	P171-K173 PolarHBondContact O-N 2.8Å
172	C	24.6	Very low	25.8	Very low	129 Å²	129	151.5 Å²	151.5	87%	0.872	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-64.1	117.1	170.6	-79.7	0	0	0	0	109.6	T170	T170-C172 PolarHBondContact O-N 3.28Å; T170-C172 VanDerWaalsContact O-N 3.11Å
173	K	26.7	Very low	26	Very low	199 Å²	199	149.9 Å²	149.9	87%	0.865	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-63.9	147	179.1	-65	173.6	179.6	173.5	0	110.4	P171	P171-K173 PolarHBondContact O-N 2.8Å
174	Q	25.2	Very low	26.3	Very low	177 Å²	177	147.5 Å²	147.5	83%	0.827	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-52.2	138.4	166.9	-64.5	169.8	-33.2	0	0	110.7	R176	Q174-R176 PolarHBondContact O-N 3.31Å
175	P	27.3	Very low	26.7	Very low	126 Å²	126	150.4 Å²	150.4	82%	0.818	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-69.6	116	163.7	28.3	-30.9	0	0	0	109.2
176	R	25.3	Very low	26.8	Very low	242 Å²	242	145.2 Å²	145.2	91%	0.913	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-73	128.8	165.2	-74.8	177.2	171.3	172.1	-5.2	108.6	Q174 A178	Q174-R176 PolarHBondContact O-N 3.31Å; R176-A178 PolarHBondContact O-N 3.05Å
177	C	25.8	Very low	27	Very low	126 Å²	126	143.7 Å²	143.7	85%	0.851	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-71.2	116.3	164.1	-62.6	0	0	0	0	109
178	A	27.8	Very low	27.2	Very low	98 Å²	98	139.6 Å²	139.6	81%	0.81	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-91.9	132.1	169.3	0	0	0	0	0	109.5	R176	R176-A178 PolarHBondContact O-N 3.05Å
179	F	25.1	Very low	27.5	Very low	211 Å²	211	131.6 Å²	131.6	93%	0.925	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-76.2	138.4	170.7	-79.5	-100.4	0	0	0	110
180	A	28.2	Very low	27.8	Very low	98 Å²	98	133.1 Å²	133.1	81%	0.81	83%	0.833	S	S	*	*			trans	-108.8	132.5	166.9	0	0	0	0	0	109.4
181	T	27.6	Very low	28.2	Very low	129 Å²	129	134 Å²	134	79%	0.791	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-86.7	145.6	176.3	44.9	0	0	0	0	111.2
182	P	33.2	Very low	28.5	Very low	123 Å²	123	132.1 Å²	132.1	80%	0.799	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-98.5	121.3	169.5	34.2	-27.2	0	0	0	111.9
183	D	28.9	Very low	28.9	Very low	167 Å²	167	129.8 Å²	129.8	89%	0.893	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-95	153.1	154.5	-79.8	-49.3	0	0	0	109.1
184	G	29.6	Very low	29.1	Very low	72 Å²	72	125.4 Å²	125.4	74%	0.742	84%	0.84	S	S	*	*			trans	-116.4	-151.8	-166.6	0	0	0	0	0	116.7
185	V	31	Very low	29.4	Very low	161 Å²	161	120.2 Å²	120.2	98%	0.976	83%	0.834	S	S	*	*			trans	90.8	119	172.4	-170.6	0	0	0	0	117.5
186	G	27.9	Very low	29.6	Very low	69 Å²	69	122.4 Å²	122.4	71%	0.711	84%	0.838	S	S	*	*			trans	133.8	93.4	133.3	0	0	0	0	0	120.6
187	A	30.4	Very low	29.7	Very low	116 Å²	116	115.1 Å²	115.1	96%	0.959	83%	0.83	S	S	*	*			trans	55.6	151.4	150	0	0	0	0	0	121.1
188	G	28.3	Very low	30.4	Very low	79 Å²	79	114.6 Å²	114.6	81%	0.814	83%	0.825	S	S	*	*			cis	171.6	163.1	-6	0	0	0	0	0	112.7
189	G	29.5	Very low	30.5	Very low	73 Å²	73	114.2 Å²	114.2	75%	0.753	82%	0.816	S	S	*	*			trans	99.9	115.9	172.2	0	0	0	0	0	115.6
190	D	30	Very low	30.7	Very low	165 Å²	165	110.8 Å²	110.8	88%	0.882	81%	0.807	S	S	*	*				74.2	133.4	71.8	-93.7	-14	0	0	0	114
191	V	36.5	Very low	30.7	Very low	134 Å²	134	110.5 Å²	110.5	81%	0.812	80%	0.8	S	S	*	*			cis	-150.7	145.2	20	-179.7	0	0	0	0	113
192	G	30.1	Very low	30.6	Very low	80 Å²	80	112.3 Å²	112.3	83%	0.825	80%	0.799	S	S	*	*			trans	74.1	146.9	148.1	0	0	0	0	0	119.7
193	G	32.3	Very low	30.3	Very low	81 Å²	81	112.9 Å²	112.9	84%	0.835	80%	0.8	S	S	*	*			cis	148.3	152.7	0.4	0	0	0	0	0	110.5
194	A	32.2	Very low	30	Very low	107 Å²	107	107.9 Å²	107.9	88%	0.884	79%	0.789	S	S	*	*			cis	-167	152	-10.2	0	0	0	0	0	111
195	G	30.9	Very low	29.9	Very low	68 Å²	68	113.9 Å²	113.9	70%	0.701	80%	0.797	S	S	*	*			trans	91.3	136.2	157.9	0	0	0	0	0	117.3
196	D	30.1	Very low	29.5	Very low	171 Å²	171	111 Å²	111	91%	0.914	78%	0.784	S	S	*	*			cis	-143.5	154.4	1.1	-79	-41.1	0	0	0	111.9
197	A	27.3	Very low	29.4	Very low	89 Å²	89	116.3 Å²	116.3	74%	0.736	79%	0.79	S	S	*	*			trans	-131.6	163.9	163.8	0	0	0	0	0	108.4
198	P	41.3	Very low	29.3	Very low	115 Å²	115	118.8 Å²	118.8	75%	0.747	79%	0.786	S	S	*	*				-144.4	133.4	96.8	40.2	-25.4	0	0	0	113
199	S	30.9	Very low	29.2	Very low	90 Å²	90	120 Å²	120	63%	0.629	78%	0.78	S	S	*	*				86.4	141.4	102.6	77.1	0	0	0	0	114.6
200	N	29.1	Very low	29.1	Very low	139 Å²	139	123.9 Å²	123.9	74%	0.743	78%	0.782	S	S	*	*			cis	-160.1	131.7	-3.1	-115.8	5.3	0	0	0	107.4
201	S	26.8	Very low	28.9	Very low	93 Å²	93	121.7 Å²	121.7	65%	0.65	78%	0.778	S	S	*	*				76.4	143.8	102.6	81.3	0	0	0	0	113.7
202	E	26.2	Very low	28.6	Very low	167 Å²	167	121.2 Å²	121.2	78%	0.78	78%	0.777	S	S	*	*			cis	-142.3	155.8	28.2	-65.7	178.3	122	0	0	114.4
203	T	27.5	Very low	28.5	Very low	134 Å²	134	124.7 Å²	124.7	82%	0.822	78%	0.776	S	S	*	*			trans	27.5	133.6	147	62.2	0	0	0	0	120.8
204	G	23.1	Very low	28.4	Very low	63 Å²	63	126.8 Å²	126.8	65%	0.649	78%	0.775	S	S	*	*			cis	103.4	105.4	14.9	0	0	0	0	0	112.6
205	H	26	Very low	28.2	Very low	197 Å²	197	127.1 Å²	127.1	91%	0.912	77%	0.771	S	S	*	*			trans	-168.1	139.4	149.5	-95.6	-51.7	0	0	0	111.7
206	S	22.7	Very low	28	Very low	101 Å²	101	129.9 Å²	129.9	71%	0.706	78%	0.779	S	S	*	*			trans	-93.1	124.6	177.8	50.4	0	0	0	0	112
207	H	25.7	Very low	27.9	Very low	181 Å²	181	126.8 Å²	126.8	84%	0.838	77%	0.771	S	S	*	*			trans	-154.8	133.6	160.4	-97.1	-75.6	0	0	0	112.2
208	L	28.3	Very low	27.9	Very low	168 Å²	168	128.5 Å²	128.5	88%	0.88	78%	0.777	S	S	*	*			trans	-74	136.5	156.1	-78.5	160.3	0	0	0	109
209	P	27.7	Very low	27.3	Very low	105 Å²	105	129.6 Å²	129.6	68%	0.682	78%	0.782	S	S	*	*				-130.9	135	122	7.5	14.3	0	0	0	111.1
210	I	26.1	Very low	27.1	Very low	154 Å²	154	131.1 Å²	131.1	79%	0.79	79%	0.793	S	S	*	*				57.4	108.5	91	-57.7	171.6	0	0	0	112.6
211	C	25.5	Very low	27	Very low	119 Å²	119	129.2 Å²	129.2	80%	0.804	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-62.6	128	172.4	-56.4	0	0	0	0	111.3
212	P	29.9	Very low	27	Very low	123 Å²	123	129.6 Å²	129.6	80%	0.799	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-76.8	135.4	169.9	30.5	-32.2	0	0	0	111.1
213	I	29.2	Very low	27.2	Very low	154 Å²	154	126.9 Å²	126.9	79%	0.79	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-74.3	136.3	167.3	-63.8	167.4	0	0	0	107.8	S215	I213-S215 PolarHBondContact O-N 2.92Å
214	P	30.1	Very low	27.2	Very low	125 Å²	125	125.8 Å²	125.8	81%	0.812	80%	0.796	S	S	*	*			trans	-71.3	112.4	178.6	28.3	-33.7	0	0	0	111
215	S	27.4	Very low	27.5	Very low	114 Å²	114	128 Å²	128	80%	0.797	80%	0.801	S	S	*	*			trans	-81.1	131.6	166.3	39.9	0	0	0	0	110.4	I213 S217	I213-S215 PolarHBondContact O-N 2.92Å; S215-S217 PolarHBondContact O-N 3.43Å
216	S	27.2	Very low	27.7	Very low	126 Å²	126	124.1 Å²	124.1	88%	0.881	80%	0.797	S	S	*	*			trans	-78	115	179.2	52	0	0	0	0	111.5
217	S	28.1	Very low	28.6	Very low	105 Å²	105	124.8 Å²	124.8	73%	0.734	80%	0.799	S	S	*	*			trans	-115.1	117.9	161	52.4	0	0	0	0	110.1	S215 T219	S215-S217 PolarHBondContact O-N 3.43Å; S217-T219 PolarHBondContact O-N 3.2Å
218	S	28.1	Very low	28.6	Very low	126 Å²	126	120.4 Å²	120.4	88%	0.881	79%	0.794	S	S	*	*			trans	-77.2	115.9	173.4	50.2	0	0	0	0	110.3
219	T	27.2	Very low	28.6	Very low	137 Å²	137	119.8 Å²	119.8	84%	0.84	79%	0.792	S	S	*	*			trans	-107.9	127.8	168.6	47.6	0	0	0	0	111.1	S217	S217-T219 PolarHBondContact O-N 3.2Å
220	S	28.1	Very low	28.4	Very low	122 Å²	122	119.9 Å²	119.9	85%	0.853	79%	0.794	S	S	*	*			trans	-94.5	130.4	176.9	50.4	0	0	0	0	112.4
221	A	27.3	Very low	28.3	Very low	99 Å²	99	118.2 Å²	118.2	82%	0.818	79%	0.794	S	S	*	*			trans	-170.5	151.5	154.2	0	0	0	0	0	106.8
222	S	26.8	Very low	28.3	Very low	102 Å²	102	118.8 Å²	118.8	71%	0.713	80%	0.798	S	S	*	*			cis	-161.3	147.5	33.3	54.7	0	0	0	0	114.4
223	S	29.8	Very low	28.1	Very low	109 Å²	109	116.3 Å²	116.3	76%	0.762	79%	0.794	S	S	*	*			trans	53.2	147.3	137.5	65.4	0	0	0	0	121.5
224	S	28	Very low	27.9	Very low	112 Å²	112	117.3 Å²	117.3	78%	0.783	80%	0.801	S	S	*	*			cis	-155.5	169.9	6.6	48.2	0	0	0	0	108.1
225	S	27.5	Very low	27.7	Very low	108 Å²	108	115.5 Å²	115.5	76%	0.755	80%	0.796	S	S	*	*			cis	-171.7	159.4	49.5	45.9	0	0	0	0	114.4
226	S	30.7	Very low	27.7	Very low	117 Å²	117	116.9 Å²	116.9	82%	0.818	79%	0.794	S	S	*	*			trans	-5	164.8	159.4	-51.9	0	0	0	0	122.6
227	P	41.7	Very low	27.7	Very low	115 Å²	115	118 Å²	118	75%	0.747	79%	0.785	S	S	*	*			cis	-121	153.3	15.1	26.7	-4.3	0	0	0	114.8
228	A	27.2	Very low	27.5	Very low	89 Å²	89	118.9 Å²	118.9	74%	0.736	79%	0.786	S	S	*	*				58.7	103.1	72.9	0	0	0	0	0	115.4
229	D	26.9	Very low	27.3	Very low	155 Å²	155	121.5 Å²	121.5	83%	0.829	79%	0.785	S	S	*	*				-175.5	157.1	103.2	-116.8	-38.7	0	0	0	116.3
230	C	24.1	Very low	27.3	Very low	107 Å²	107	120.2 Å²	120.2	72%	0.723	78%	0.781	S	S	*	*			trans	52	104	153.6	-70.5	0	0	0	0	124.4
231	C	24.4	Very low	28	Very low	119 Å²	119	119.2 Å²	119.2	80%	0.804	77%	0.772	S	S	*	*				20.6	153.5	119.5	-62.7	0	0	0	0	124.7
232	C	25.4	Very low	28.2	Very low	131 Å²	131	121.7 Å²	121.7	89%	0.885	77%	0.771	S	S	*	*			trans	91.9	110.2	152.8	-62.2	0	0	0	0	120.5
233	G	24.3	Very low	28.3	Very low	70 Å²	70	121.5 Å²	121.5	72%	0.722	77%	0.77	S	S	*	*				96.8	108.4	108.4	0	0	0	0	0	121.1
234	L	26.9	Very low	28.3	Very low	176 Å²	176	120.7 Å²	120.7	92%	0.921	76%	0.764	S	S	*	*			trans	58	133.1	137.1	-80	158.6	0	0	0	122.6
235	A	25.7	Very low	28.3	Very low	87 Å²	87	121.9 Å²	121.9	72%	0.719	76%	0.762	S	S	*	*			trans	69.9	155.1	150.6	0	0	0	0	0	117.6
236	L	26.9	Very low	28.4	Very low	142 Å²	142	121.6 Å²	121.6	74%	0.743	76%	0.76	S	S	*	*			cis	-163.7	161	-23.2	-113.9	169	0	0	0	107.7
237	H	26.2	Very low	28.4	Very low	149 Å²	149	122.3 Å²	122.3	69%	0.69	76%	0.759	S	S	*	*			trans	68.9	141.4	155.8	-77	-61.7	0	0	0	122.3
238	T	24.7	Very low	29.2	Very low	125 Å²	125	122 Å²	122	77%	0.767	76%	0.757	S	S	*	*			trans	68.6	135	145.2	47.5	0	0	0	0	118.5
239	E	24.5	Very low	29.1	Very low	181 Å²	181	123.7 Å²	123.7	85%	0.846	76%	0.762	S	S	*	*			cis	-135.1	167.7	7.2	-62.9	-172.9	112.7	0	0	112.7
240	S	26	Very low	29.5	Very low	109 Å²	109	122 Å²	122	76%	0.762	76%	0.762	S	S	*	*			trans	-98.2	-171.1	159.6	-45.2	0	0	0	0	108.4
241	P	44	Very low	29.8	Very low	102 Å²	102	125.3 Å²	125.3	66%	0.662	77%	0.771	S	S	*	*			cis	-142.4	-166.7	-1	38.9	-16.8	0	0	0	115.7
242	N	29.9	Very low	30.1	Very low	151 Å²	151	126.7 Å²	126.7	81%	0.807	77%	0.765	S	S	*	*			trans	83.4	137.1	157.6	-59.5	-17.3	0	0	0	117.8
243	S	29.1	Very low	30.3	Very low	98 Å²	98	129.8 Å²	129.8	69%	0.685	77%	0.766	S	S	*	*			cis	-155.7	134.6	-2.4	40.3	0	0	0	0	107.9
244	S	30.4	Very low	30.7	Very low	92 Å²	92	135.4 Å²	135.4	64%	0.643	77%	0.767	S	S	*	*				53.8	132.4	94.2	99.9	0	0	0	0	113.1
245	D	28.6	Very low	30.8	Very low	136 Å²	136	133.2 Å²	133.2	73%	0.727	76%	0.757	S	S	*	*			cis	-151.6	130.8	26.8	-83.9	-60.4	0	0	0	110.6
246	S	29.9	Very low	30.9	Very low	102 Å²	102	136.9 Å²	136.9	71%	0.713	76%	0.764	S	S	*	*				76.7	104.6	89.9	90.9	0	0	0	0	117.2
247	T	29.1	Very low	31.2	Very low	132 Å²	132	134.7 Å²	134.7	81%	0.81	76%	0.759	S	S	*	*			trans	-44.5	179.7	150.6	26.6	0	0	0	0	115.1
248	P	58.4	Low	31.7	Very low	108 Å²	108	136.7 Å²	136.7	70%	0.701	77%	0.769	S	S	*	*				-130.4	-163.3	-50.4	38.1	-19.7	0	0	0	109.7
249	C	26.3	Very low	32.2	Very low	125 Å²	125	135.2 Å²	135.2	85%	0.845	77%	0.77	S	S	*	*				170.7	142.9	129.3	-96.4	0	0	0	0	113.8
250	C	35.1	Very low	32.8	Very low	121 Å²	121	137.7 Å²	137.7	82%	0.818	77%	0.771	S	S	*	*			trans	-86.7	152.5	175.1	-49.1	0	0	0	0	111.4
251	L	29.3	Very low	33.6	Very low	175 Å²	175	138.7 Å²	138.7	92%	0.916	78%	0.778	S	S	*	*			trans	-159.5	146.2	146.4	-110.9	148.7	0	0	0	112.4
252	H	32.6	Very low	33.5	Very low	148 Å²	148	137.6 Å²	137.6	69%	0.685	77%	0.773	S	S	*	*			trans	-66.2	155.5	-173.9	-77.1	-103.7	0	0	0	114.3
253	H	29.3	Very low	34.1	Very low	197 Å²	197	138 Å²	138	91%	0.912	78%	0.775	S	S	*	*				-141.7	151	127.4	-110.5	50.8	0	0	0	111.2
254	Y	31.3	Very low	34.6	Very low	187 Å²	187	138.2 Å²	138.2	73%	0.733	78%	0.783	S	S	*	*			trans	-98	159.3	-177.6	-117	-100.4	0	0	0	110.8
255	D	30.3	Very low	35.4	Very low	131 Å²	131	137.6 Å²	137.6	70%	0.701	78%	0.783	S	S	*	*			trans	54.8	109.3	164.9	-61	-41	0	0	0	119.1
256	D	27.9	Very low	36.5	Very low	164 Å²	164	139.4 Å²	139.4	88%	0.877	79%	0.787	S	S	*	*				-142.8	148.8	110.3	-148.8	-11.5	0	0	0	110.9
257	C	33.3	Very low	37.7	Very low	95 Å²	95	142.9 Å²	142.9	64%	0.642	79%	0.792	S	S	*	*			trans	-105	161.2	-174	-80.4	0	0	0	0	111.9
258	Q	36	Very low	39.3	Very low	192 Å²	192	144.5 Å²	144.5	90%	0.897	80%	0.795	S	S	*	*			trans	70.6	91.1	170.1	-47.2	179.1	16.3	0	0	116.9
259	A	35.8	Very low	40.5	Very low	94 Å²	94	141.5 Å²	141.5	78%	0.777	78%	0.777	S	S	*	*				172.3	107.1	115	0	0	0	0	0	112.1
260	R	37.2	Very low	43.5	Very low	233 Å²	233	140 Å²	140	88%	0.879	76%	0.759	S	S	*	*			trans	164.1	70.5	143.8	-90.3	161.1	-170.1	-152.8	2.4	110.7	S262	R260-S262 PolarHBondContact O-N 3.2Å
261	S	41.3	Very low	46.1	Very low	130 Å²	130	137.6 Å²	137.6	91%	0.909	74%	0.738	S	S	*	*			trans	-85.8	68.9	160.1	58.9	0	0	0	0	109.5
262	S	42.9	Very low	49	Very low	78 Å²	78	136.2 Å²	136.2	55%	0.545	73%	0.727	S	S	.	*			trans	-153.5	146.6	170.8	57.1	0	0	0	0	109	R260	R260-S262 PolarHBondContact O-N 3.2Å
263	D	41.4	Very low	51.7	Low	159 Å²	159	132.6 Å²	132.6	85%	0.85	71%	0.712	S	S	*	*			trans	79.1	29	172.9	-46.3	-23.8	0	0	0	118
264	A	40.8	Very low	54.8	Low	103 Å²	103	126.7 Å²	126.7	85%	0.851	69%	0.691	S	S	*	*			trans	-99.1	17.5	162.4	0	0	0	0	0	113.5	E266	A264-E266 VanDerWaalsContact C-N 3.33Å; A264-E266 PolarHBondContact O-N 3.29Å
265	A	46.4	Very low	57.7	Low	80 Å²	80	120.6 Å²	120.6	66%	0.661	68%	0.676	S	S	*	*			trans	-89.6	75.8	162.3	0	0	0	0	0	108.2	H267	A265-H267 PolarHBondContact O-N 2.77Å
266	E	51.4	Low	60.7	Low	174 Å²	174	118.1 Å²	118.1	81%	0.813	67%	0.669	S	S	*	*			trans	-55.7	105.6	165	-75.5	-169.8	142.2	0	0	107.7	A264 L268	A264-E266 VanDerWaalsContact C-N 3.33Å; A264-E266 PolarHBondContact O-N 3.29Å; E266-L268 VanDerWaalsContact C-N 3.34Å; E266-L268 PolarHBondContact O-N 2.84Å
267	H	55.4	Low	63.8	Low	175 Å²	175	114.1 Å²	114.1	81%	0.81	65%	0.646	S	S	*	*			trans	-62.1	101.6	171.8	-84.2	-83.3	0	0	0	107.5	A265 S269	A265-H267 PolarHBondContact O-N 2.77Å; H267-S269 PolarHBondContact O-N 3.48Å
268	L	63.9	Low	66.6	Low	165 Å²	165	109.7 Å²	109.7	86%	0.864	62%	0.616	S	S	*	*			trans	-61.2	77.3	171.9	-84	150.5	0	0	0	109.5	E266 I270	E266-L268 VanDerWaalsContact C-N 3.34Å; E266-L268 PolarHBondContact O-N 2.84Å; L268-I270 PolarHBondContact O-N 3.47Å
269	S	83.3	Confident	69.2	Low	46 Å²	46	101.3 Å²	101.3	32%	0.322	58%	0.578	S	S	.	*			trans	-62.6	127.9	174.4	-178.3	0	0	0	0	108.2	H267 N271 H272	H267-S269 PolarHBondContact O-N 3.48Å; S269-N271 PolarHBondContact O-N 3.4Å; S269-H272 WeakPolarHBondContact O-CB 3.4Å; S269-H272 PolarHBondContact O-N 3.05Å
270	I	88	Confident	71.8	Confident	94 Å²	94	102.7 Å²	102.7	48%	0.482	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-54.5	-28.9	178	-62.8	169	0	0	0	110.7	L268 H272 L273 L278 W301	L268-I270 PolarHBondContact O-N 3.47Å; I270-H272 PolarHBondContact O-N 3.46Å; I270-L273 HydrophobicContact CG2-CD1 4.3Å; I270-L273 WeakPolarHBondContact O-CB 3.33Å; I270-L273 WeakPolarHBondContact O-CG 3.36Å; I270-L273 PolarHBondContact O-N 3.47Å; I270-L273 VanDerWaalsContact O-N 3.1Å; I270-L278 HydrophobicContact CG2-CD2 3.54Å; I270-W301 HydrophobicContact CB-CZ2 4.35Å; I270-W301 HydrophobicContact CG2-CZ2 3.73Å
271	N	90.1	Very high	74.4	Confident	69 Å²	69	95.6 Å²	95.6	37%	0.369	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-68.2	-12.8	177.8	-60.2	-32.6	0	0	0	114.6	S269 L273 W301	S269-N271 PolarHBondContact O-N 3.4Å; N271-L273 VanDerWaalsContact C-N 3.32Å; N271-W301 PolarHBondContact OD1-NE1 2.96Å
272	H	89.6	Confident	76.7	Confident	147 Å²	147	89.6 Å²	89.6	68%	0.681	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-81.9	-10.7	172.5	-59.1	154.9	0	0	0	112.8	S269 I270	S269-H272 WeakPolarHBondContact O-CB 3.4Å; S269-H272 PolarHBondContact O-N 3.05Å; I270-H272 PolarHBondContact O-N 3.46Å
273	L	91	Very high	78.8	Confident	72 Å²	72	88.2 Å²	88.2	38%	0.377	50%	0.497	S	S	.	.	S	Bend	trans	-68.6	139.5	170.9	-62.5	177.1	0	0	0	110.1	I270 N271 I277 L278	I270-L273 HydrophobicContact CG2-CD1 4.3Å; I270-L273 WeakPolarHBondContact O-CB 3.33Å; I270-L273 WeakPolarHBondContact O-CG 3.36Å; I270-L273 PolarHBondContact O-N 3.47Å; I270-L273 VanDerWaalsContact O-N 3.1Å; N271-L273 VanDerWaalsContact C-N 3.32Å; L273-I277 HydrophobicContact CB-CB 4.46Å; L273-I277 HydrophobicContact CB-CG2 4.49Å; L273-I277 HydrophobicContact CD1-CG2 4.23Å; L273-L278 HydrophobicContact CB-CD2 4.02Å; L273-L278 HydrophobicContact CB-CG 4.01Å; L273-L278 HydrophobicContact CD1-CD2 4.1Å; L273-L278 WeakPolarHBondContact O-CD1 3.18Å
274	P	93.4	Very high	81.1	Confident	72 Å²	72	87.2 Å²	87.2	47%	0.468	49%	0.487	S	S	.	.			trans	-50.5	143.5	171.9	-28.6	34.3	0	0	0	112.4	S276 I277 L278	P274-S276 PolarHBondContact O-N 2.66Å; P274-S276 VanDerWaalsContact O-N 3.11Å; P274-I277 HydrophobicContact CB-CG1 4.38Å; P274-I277 HydrophobicContact CG-CD1 4.33Å; P274-I277 WeakPolarHBondContact O-CB 3.3Å; P274-I277 PolarHBondContact O-N 3.41Å; P274-L278 PolarHBondContact O-N 3.03Å; P274-L278 VanDerWaalsContact O-N 3.08Å
275	S	92.1	Very high	83.2	Confident	59 Å²	59	85 Å²	85	41%	0.413	46%	0.46	S	S	.	.	H	α-helix	trans	-53.8	-34.3	179.3	55.2	0	0	0	0	112.7	I277 L278 L279	S275-I277 PolarHBondContact O-N 2.96Å; S275-L278 PolarHBondContact O-N 3Å; S275-L279 WeakPolarHBondContact O-CB 3.24Å; S275-L279 WeakPolarHBondContact O-CG 3.46Å; S275-L279 PolarHBondContact O-N 3.4Å
276	S	92.7	Very high	84.8	Confident	79 Å²	79	84.8 Å²	84.8	55%	0.552	45%	0.451	S	S	*	.	H	α-helix	trans	-61.3	-38.3	174.2	54.2	0	0	0	0	113.6	P274 K280	P274-S276 PolarHBondContact O-N 2.66Å; P274-S276 VanDerWaalsContact O-N 3.11Å; S276-K280 WeakPolarHBondContact O-CB 3.35Å; S276-K280 PolarHBondContact O-N 3.31Å
277	I	93.2	Very high	86.1	Confident	80 Å²	80	78.4 Å²	78.4	41%	0.41	42%	0.423	S	S	.	.	H	α-helix	trans	-72	-43.3	175.5	-58.3	-171.5	0	0	0	109.8	L273 P274 S275 K280 V281	L273-I277 HydrophobicContact CB-CB 4.46Å; L273-I277 HydrophobicContact CB-CG2 4.49Å; L273-I277 HydrophobicContact CD1-CG2 4.23Å; P274-I277 HydrophobicContact CB-CG1 4.38Å; P274-I277 HydrophobicContact CG-CD1 4.33Å; P274-I277 WeakPolarHBondContact O-CB 3.3Å; P274-I277 PolarHBondContact O-N 3.41Å; S275-I277 PolarHBondContact O-N 2.96Å; I277-K280 CarbonylContact O-C 3.41Å; I277-K280 WeakPolarHBondContact O-CA 3.38Å; I277-K280 WeakPolarHBondContact O-CB 3.35Å; I277-K280 PolarHBondContact O-N 2.9Å; I277-K280 VanDerWaalsContact O-N 3.13Å; I277-V281 WeakPolarHBondContact O-CG2 3.37Å; I277-V281 PolarHBondContact O-N 2.89Å
278	L	92.2	Very high	87	Confident	3 Å²	3	76.5 Å²	76.5	2%	0.016	41%	0.413	C	S	.	.	H	α-helix	trans	-64	-41.3	177.1	-66.3	175.9	0	0	0	112.3	I270 L273 P274 S275 K280 V281 L282 Y300 L304	I270-L278 HydrophobicContact CG2-CD2 3.54Å; L273-L278 HydrophobicContact CB-CD2 4.02Å; L273-L278 HydrophobicContact CB-CG 4.01Å; L273-L278 HydrophobicContact CD1-CD2 4.1Å; L273-L278 WeakPolarHBondContact O-CD1 3.18Å; P274-L278 PolarHBondContact O-N 3.03Å; P274-L278 VanDerWaalsContact O-N 3.08Å; S275-L278 PolarHBondContact O-N 3Å; L278-K280 VanDerWaalsContact C-N 3.3Å; L278-K280 PolarHBondContact O-N 3.24Å; L278-V281 PolarHBondContact O-N 3.37Å; L278-L282 VanDerWaalsContact O-CB 3.31Å; L278-L282 WeakPolarHBondContact O-CB 3.21Å; L278-L282 VanDerWaalsContact O-CG 3.25Å; L278-L282 WeakPolarHBondContact O-CG 3.45Å; L278-L282 PolarHBondContact O-N 2.87Å; L278-Y300 HydrophobicContact CD1-CD1 4.44Å; L278-Y300 HydrophobicContact CD1-CE1 3.55Å; L278-L304 HydrophobicContact CB-CD1 3.76Å; L278-L304 HydrophobicContact CD1-CD1 3.86Å; L278-L304 HydrophobicContact CG-CD1 4.47Å
279	L	90.4	Very high	88.1	Confident	15 Å²	15	72.7 Å²	72.7	8%	0.079	39%	0.391	C	S	.	.	H	α-helix	trans	-61.2	-40.4	172	-72.1	173.2	0	0	0	110.9	S275 L282 S283 L304 D307 F310	S275-L279 WeakPolarHBondContact O-CB 3.24Å; S275-L279 WeakPolarHBondContact O-CG 3.46Å; S275-L279 PolarHBondContact O-N 3.4Å; L279-L282 PolarHBondContact O-N 2.89Å; L279-S283 WeakPolarHBondContact O-CB 3.36Å; L279-S283 PolarHBondContact O-N 3.46Å; L279-L304 HydrophobicContact CD2-CB 4.18Å; L279-L304 HydrophobicContact CD2-CD2 4.13Å; L279-L304 HydrophobicContact CG-CD2 4.19Å; L279-D307 HydrophobicContact CD2-CB 3.67Å; L279-F310 HydrophobicContact CB-CZ 4.25Å; L279-F310 HydrophobicContact CD2-CD2 4.32Å; L279-F310 HydrophobicContact CD2-CE2 3.46Å; L279-F310 VanDerWaalsContact CD2-CE2 3.46Å; L279-F310 HydrophobicContact CD2-CZ 3.61Å; L279-F310 WeakPolarHBondContact O-CE1 3.35Å; L279-F310 VanDerWaalsContact O-CZ 3.31Å; L279-F310 WeakPolarHBondContact O-CZ 3.48Å
280	K	90.6	Very high	88.3	Confident	123 Å²	123	71.8 Å²	71.8	54%	0.535	38%	0.38	S	S	.	.	H	α-helix	trans	-63.7	-43.9	174.9	-177.6	55	-177.7	149.3	0	112	S276 I277 L278 S283 H284	S276-K280 WeakPolarHBondContact O-CB 3.35Å; S276-K280 PolarHBondContact O-N 3.31Å; I277-K280 CarbonylContact O-C 3.41Å; I277-K280 WeakPolarHBondContact O-CA 3.38Å; I277-K280 WeakPolarHBondContact O-CB 3.35Å; I277-K280 PolarHBondContact O-N 2.9Å; I277-K280 VanDerWaalsContact O-N 3.13Å; L278-K280 VanDerWaalsContact C-N 3.3Å; L278-K280 PolarHBondContact O-N 3.24Å; K280-S283 WeakPolarHBondContact O-CB 3.35Å; K280-S283 PolarHBondContact O-N 3.19Å; K280-S283 PolarHBondContact O-OG 3.39Å; K280-H284 WeakPolarHBondContact CE-NE2 3.39Å; K280-H284 PolarHBondContact NZ-NE2 2.77Å; K280-H284 PolarHBondContact O-CD2 3.17Å
281	V	92.4	Very high	87.9	Confident	84 Å²	84	70.5 Å²	70.5	51%	0.509	38%	0.379	S	S	.	.	H	α-helix	trans	-61.5	-52.1	174.4	171.9	0	0	0	0	111.1	I277 L278 S283 H284	I277-V281 WeakPolarHBondContact O-CG2 3.37Å; I277-V281 PolarHBondContact O-N 2.89Å; L278-V281 PolarHBondContact O-N 3.37Å; V281-S283 PolarHBondContact O-N 2.96Å; V281-H284 PolarHBondContact O-N 2.92Å
282	L	90.3	Very high	87.5	Confident	4 Å²	4	72.2 Å²	72.2	2%	0.021	39%	0.388	C	S	.	.	H	α-helix	trans	-64.3	-21.1	179.5	-68.2	172.5	0	0	0	113	L278 L279 H284 L285 R290 A294 W301 L304 F310	L278-L282 VanDerWaalsContact O-CB 3.31Å; L278-L282 WeakPolarHBondContact O-CB 3.21Å; L278-L282 VanDerWaalsContact O-CG 3.25Å; L278-L282 WeakPolarHBondContact O-CG 3.45Å; L278-L282 PolarHBondContact O-N 2.87Å; L279-L282 PolarHBondContact O-N 2.89Å; L282-H284 PolarHBondContact O-N 3.25Å; L282-L285 HydrophobicContact CD2-CD1 3.67Å; L282-L285 PolarHBondContact O-N 2.77Å; L282-R290 PolarHBondContact O-NE 3.11Å; L282-R290 PolarHBondContact O-NH2 2.69Å; L282-R290 VanDerWaalsContact O-NH2 3.13Å; L282-A294 HydrophobicContact CD2-CB 3.69Å; L282-W301 HydrophobicContact CD2-CE3 4.21Å; L282-W301 HydrophobicContact CD2-CZ3 4.33Å; L282-L304 HydrophobicContact CD1-CB 3.89Å; L282-L304 HydrophobicContact CD1-CD1 4.34Å; L282-F310 HydrophobicContact CB-CE1 4.43Å; L282-F310 HydrophobicContact CB-CE2 4.05Å; L282-F310 HydrophobicContact CB-CZ 3.55Å
283	S	86.8	Confident	87.5	Confident	50 Å²	50	69.1 Å²	69.1	35%	0.35	38%	0.381	S	S	.	.	H	α-helix	trans	-65.3	-24.3	173.1	80.5	0	0	0	0	113.5	L279 K280 V281	L279-S283 WeakPolarHBondContact O-CB 3.36Å; L279-S283 PolarHBondContact O-N 3.46Å; K280-S283 WeakPolarHBondContact O-CB 3.35Å; K280-S283 PolarHBondContact O-N 3.19Å; K280-S283 PolarHBondContact O-OG 3.39Å; V281-S283 PolarHBondContact O-N 2.96Å
284	H	88.4	Confident	87.5	Confident	138 Å²	138	65.9 Å²	65.9	64%	0.639	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-11.2	177.1	-69.5	-77.8	0	0	0	113.5	K280 V281 L282	K280-H284 WeakPolarHBondContact CE-NE2 3.39Å; K280-H284 PolarHBondContact NZ-NE2 2.77Å; K280-H284 PolarHBondContact O-CD2 3.17Å; V281-H284 PolarHBondContact O-N 2.92Å; L282-H284 PolarHBondContact O-N 3.25Å
285	L	85.7	Confident	87.4	Confident	55 Å²	55	63.7 Å²	63.7	29%	0.288	35%	0.351	S	S	.	.	S	Bend	trans	-80.8	141.7	172.2	-58.4	-176.8	0	0	0	110.7	L282 E289 R290 A294	L282-L285 HydrophobicContact CD2-CD1 3.67Å; L282-L285 PolarHBondContact O-N 2.77Å; L285-E289 HydrophobicContact CB-CB 4.13Å; L285-R290 HydrophobicContact CB-CB 4.45Å; L285-R290 PolarHBondContact O-NH2 3.13Å; L285-A294 HydrophobicContact CD1-CB 3.8Å
286	T	80.7	Confident	87.3	Confident	76 Å²	76	66.8 Å²	66.8	47%	0.466	36%	0.362	S	S	.	.			trans	-61.8	161.4	169.2	63	0	0	0	0	111.6	K288 E289 R290	T286-K288 PolarHBondContact O-N 2.89Å; T286-E289 VanDerWaalsContact CB-OE2 3.27Å; T286-E289 WeakPolarHBondContact CB-OE2 3.46Å; T286-E289 VanDerWaalsContact CG2-OE2 3.3Å; T286-E289 WeakPolarHBondContact CG2-OE2 3.31Å; T286-E289 PolarHBondContact N-OE2 3.02Å; T286-E289 PolarHBondContact O-N 3.19Å; T286-E289 VanDerWaalsContact OG1-CD 3.26Å; T286-E289 VanDerWaalsContact OG1-CG 3.31Å; T286-E289 WeakPolarHBondContact OG1-CG 3.43Å; T286-E289 PolarHBondContact OG1-N 3.1Å; T286-E289 VanDerWaalsContact OG1-N 3.15Å; T286-E289 PolarHBondContact OG1-OE2 3.23Å; T286-R290 VanDerWaalsContact O-CB 3.3Å; T286-R290 WeakPolarHBondContact O-CB 3.48Å; T286-R290 PolarHBondContact O-N 3.04Å
287	V	77.6	Confident	87.4	Confident	40 Å²	40	67.3 Å²	67.3	24%	0.242	36%	0.362	C	S	.	.	H	α-helix	trans	-55.8	-37.1	173.3	178.4	0	0	0	0	111.2	C291 D315	V287-C291 VanDerWaalsContact O-CB 3.3Å; V287-C291 WeakPolarHBondContact O-CB 3.22Å; V287-C291 PolarHBondContact O-N 3.08Å; V287-C291 PolarHBondContact O-SG 3.11Å; V287-D315 VanDerWaalsContact CG2-O 3.27Å; V287-D315 WeakPolarHBondContact CG2-O 3.27Å
288	K	75.4	Confident	87.3	Confident	136 Å²	136	65.6 Å²	65.6	59%	0.591	36%	0.357	S	S	*	.	H	α-helix	trans	-64.7	-50.9	177.6	-173	-177.8	177.8	-173.7	0	112	T286 R290 C291 L292	T286-K288 PolarHBondContact O-N 2.89Å; K288-R290 VanDerWaalsContact C-N 3.34Å; K288-R290 PolarHBondContact O-N 2.85Å; K288-C291 PolarHBondContact O-N 2.9Å; K288-L292 HydrophobicContact CD-CD1 4.46Å; K288-L292 HydrophobicContact CG-CD1 3.71Å; K288-L292 HydrophobicContact CG-CG 4.34Å; K288-L292 VanDerWaalsContact O-CB 3.29Å; K288-L292 WeakPolarHBondContact O-CB 3.48Å; K288-L292 WeakPolarHBondContact O-CG 3.47Å; K288-L292 PolarHBondContact O-N 3.23Å
289	E	87	Confident	87.3	Confident	84 Å²	84	72.9 Å²	72.9	39%	0.393	39%	0.388	S	S	.	.	H	α-helix	trans	-65.4	-38.3	179	-68.5	157.5	137.6	0	0	111.8	L285 T286 C293 A294	L285-E289 HydrophobicContact CB-CB 4.13Å; T286-E289 VanDerWaalsContact CB-OE2 3.27Å; T286-E289 WeakPolarHBondContact CB-OE2 3.46Å; T286-E289 VanDerWaalsContact CG2-OE2 3.3Å; T286-E289 WeakPolarHBondContact CG2-OE2 3.31Å; T286-E289 PolarHBondContact N-OE2 3.02Å; T286-E289 PolarHBondContact O-N 3.19Å; T286-E289 VanDerWaalsContact OG1-CD 3.26Å; T286-E289 VanDerWaalsContact OG1-CG 3.31Å; T286-E289 WeakPolarHBondContact OG1-CG 3.43Å; T286-E289 PolarHBondContact OG1-N 3.1Å; T286-E289 VanDerWaalsContact OG1-N 3.15Å; T286-E289 PolarHBondContact OG1-OE2 3.23Å; E289-C293 WeakPolarHBondContact O-CA 3.49Å; E289-C293 VanDerWaalsContact O-CB 3.25Å; E289-C293 WeakPolarHBondContact O-CB 3.48Å; E289-C293 PolarHBondContact O-N 2.65Å; E289-A294 PolarHBondContact O-N 3.45Å
290	R	87.3	Confident	87.4	Confident	27 Å²	27	76.3 Å²	76.3	10%	0.102	40%	0.401	C	S	.	.	I	π-helix	trans	-64.8	-46	178.7	-159.7	179.5	-56.1	140.1	6.2	111.1	L282 L285 T286 K288 S295 C305 F310	L282-R290 PolarHBondContact O-NE 3.11Å; L282-R290 PolarHBondContact O-NH2 2.69Å; L282-R290 VanDerWaalsContact O-NH2 3.13Å; L285-R290 HydrophobicContact CB-CB 4.45Å; L285-R290 PolarHBondContact O-NH2 3.13Å; T286-R290 VanDerWaalsContact O-CB 3.3Å; T286-R290 WeakPolarHBondContact O-CB 3.48Å; T286-R290 PolarHBondContact O-N 3.04Å; K288-R290 VanDerWaalsContact C-N 3.34Å; K288-R290 PolarHBondContact O-N 2.85Å; R290-S295 WeakPolarHBondContact O-CB 3.3Å; R290-S295 PolarHBondContact O-N 3.03Å; R290-C305 HydrophobicContact CG-CB 3.83Å; R290-C305 WeakPolarHBondContact CG-SG 3.16Å; R290-F310 VanDerWaalsContact NH1-CB 3.33Å; R290-F310 VanDerWaalsContact NH1-CG 3.33Å
291	C	79.8	Confident	87.5	Confident	67 Å²	67	72.6 Å²	72.6	45%	0.453	38%	0.384	S	S	.	.	I	π-helix	trans	-73	-48.4	178.5	-69	0	0	0	0	113.1	V287 K288 S295	V287-C291 VanDerWaalsContact O-CB 3.3Å; V287-C291 WeakPolarHBondContact O-CB 3.22Å; V287-C291 PolarHBondContact O-N 3.08Å; V287-C291 PolarHBondContact O-SG 3.11Å; K288-C291 PolarHBondContact O-N 2.9Å; C291-S295 PolarHBondContact O-OG 2.82Å
292	L	81.8	Confident	87.3	Confident	106 Å²	106	72.9 Å²	72.9	56%	0.555	38%	0.376	S	S	*	.	I	π-helix	trans	-88.5	-19.3	-170.7	-58.3	-176.9	0	0	0	114.7	K288 L296	K288-L292 HydrophobicContact CD-CD1 4.46Å; K288-L292 HydrophobicContact CG-CD1 3.71Å; K288-L292 HydrophobicContact CG-CG 4.34Å; K288-L292 VanDerWaalsContact O-CB 3.29Å; K288-L292 WeakPolarHBondContact O-CB 3.48Å; K288-L292 WeakPolarHBondContact O-CG 3.47Å; K288-L292 PolarHBondContact O-N 3.23Å; L292-L296 VanDerWaalsContact O-CD1 3.28Å; L292-L296 WeakPolarHBondContact O-CD1 3.41Å
293	C	89.3	Confident	87.2	Confident	81 Å²	81	76.9 Å²	76.9	55%	0.547	40%	0.397	S	S	.	.	I	π-helix	trans	-117.5	-66.2	179.5	-52.2	0	0	0	0	110.6	E289 S295 L296 V297	E289-C293 WeakPolarHBondContact O-CA 3.49Å; E289-C293 VanDerWaalsContact O-CB 3.25Å; E289-C293 WeakPolarHBondContact O-CB 3.48Å; E289-C293 PolarHBondContact O-N 2.65Å; C293-S295 PolarHBondContact O-N 2.97Å; C293-L296 PolarHBondContact O-N 3.09Å; C293-L296 VanDerWaalsContact O-N 3.07Å; C293-V297 PolarHBondContact O-N 2.84Å
294	A	90.8	Very high	87.4	Confident	4 Å²	4	75.2 Å²	75.2	3%	0.033	38%	0.384	C	S	.	.	I	π-helix	trans	-63.2	-40.8	-169.3	0	0	0	0	0	113.1	L282 L285 E289 L296 V297 W301	L282-A294 HydrophobicContact CD2-CB 3.69Å; L285-A294 HydrophobicContact CD1-CB 3.8Å; E289-A294 PolarHBondContact O-N 3.45Å; A294-L296 PolarHBondContact O-N 2.9Å; A294-V297 PolarHBondContact O-N 2.8Å; A294-W301 HydrophobicContact CB-CE3 4.04Å; A294-W301 HydrophobicContact CB-CZ3 4.39Å; A294-W301 WeakPolarHBondContact O-CB 3.24Å
295	S	90.1	Very high	87.3	Confident	26 Å²	26	69.1 Å²	69.1	18%	0.182	36%	0.357	C	S	.	.	H	α-helix	trans	-68	-14	178.9	92.6	0	0	0	0	114.2	R290 C291 C293 R302	R290-S295 WeakPolarHBondContact O-CB 3.3Å; R290-S295 PolarHBondContact O-N 3.03Å; C291-S295 PolarHBondContact O-OG 2.82Å; C293-S295 PolarHBondContact O-N 2.97Å; S295-R302 VanDerWaalsContact O-CB 3.24Å; S295-R302 WeakPolarHBondContact O-CB 3.3Å
296	L	90.9	Very high	87.1	Confident	124 Å²	124	69.6 Å²	69.6	65%	0.649	36%	0.359	S	S	*	.	H	α-helix	trans	-96.8	-9.9	179.2	-54.8	-172.4	0	0	0	113.1	L292 C293 A294	L292-L296 VanDerWaalsContact O-CD1 3.28Å; L292-L296 WeakPolarHBondContact O-CD1 3.41Å; C293-L296 PolarHBondContact O-N 3.09Å; C293-L296 VanDerWaalsContact O-N 3.07Å; A294-L296 PolarHBondContact O-N 2.9Å
297	V	94	Very high	87.3	Confident	90 Å²	90	68 Å²	68	55%	0.545	35%	0.348	S	S	.	.	H	α-helix	trans	-64.5	-52.4	-177.9	175.8	0	0	0	0	111.7	C293 A294 W301	C293-V297 PolarHBondContact O-N 2.84Å; A294-V297 PolarHBondContact O-N 2.8Å; V297-W301 HydrophobicContact CB-CB 4.39Å; V297-W301 HydrophobicContact CB-CD2 4.11Å; V297-W301 HydrophobicContact CB-CE3 3.9Å; V297-W301 HydrophobicContact CB-CG 4.35Å; V297-W301 HydrophobicContact CG1-CD2 4.1Å; V297-W301 HydrophobicContact CG1-CE3 4.18Å; V297-W301 HydrophobicContact CG1-CG 4.44Å; V297-W301 HydrophobicContact CG2-CD2 4.49Å; V297-W301 HydrophobicContact CG2-CE3 3.8Å; V297-W301 HydrophobicContact CG2-CZ3 4.05Å
298	C	91.8	Very high	87.1	Confident	44 Å²	44	70.8 Å²	70.8	30%	0.297	36%	0.357	S	S	.	.			trans	-160.4	168.6	176.7	76.6	0	0	0	0	111.3	Y300 W301 R302	C298-Y300 VanDerWaalsContact C-N 3.31Å; C298-Y300 PolarHBondContact O-N 2.62Å; C298-W301 PolarHBondContact O-N 2.88Å; C298-W301 PolarHBondContact SG-N 3.13Å; C298-R302 PolarHBondContact O-N 3Å
299	K	91.4	Very high	87.2	Confident	156 Å²	156	69.2 Å²	69.2	68%	0.678	35%	0.351	S	S	*	.	H	α-helix	trans	-54.8	-45.9	178.1	-65.4	176.8	-176.4	171.6	0	112	W301 R302 D303	K299-W301 PolarHBondContact O-N 3.25Å; K299-R302 WeakPolarHBondContact O-CB 3.26Å; K299-R302 PolarHBondContact O-N 2.93Å; K299-D303 PolarHBondContact O-N 2.95Å
300	Y	92.9	Very high	86.6	Confident	88 Å²	88	66.1 Å²	66.1	35%	0.345	34%	0.337	S	S	.	.	H	α-helix	trans	-61.9	-45.9	-179.8	-178.9	-131.9	0	0	0	112.2	L278 C298 R302 D303 L304	L278-Y300 HydrophobicContact CD1-CD1 4.44Å; L278-Y300 HydrophobicContact CD1-CE1 3.55Å; C298-Y300 VanDerWaalsContact C-N 3.31Å; C298-Y300 PolarHBondContact O-N 2.62Å; Y300-R302 PolarHBondContact O-N 2.96Å; Y300-D303 PolarHBondContact O-N 2.77Å; Y300-L304 HydrophobicContact CD1-CD1 4.21Å; Y300-L304 HydrophobicContact CD2-CD1 4.43Å; Y300-L304 HydrophobicContact CD2-CG 4.29Å; Y300-L304 HydrophobicContact CE1-CD1 3.91Å; Y300-L304 HydrophobicContact CE2-CD1 4.12Å; Y300-L304 HydrophobicContact CE2-CD2 4.11Å; Y300-L304 HydrophobicContact CE2-CG 4.07Å; Y300-L304 HydrophobicContact CG-CD1 4.47Å; Y300-L304 WeakPolarHBondContact O-CG 3.38Å; Y300-L304 PolarHBondContact O-N 3.04Å
301	W	93.2	Very high	86.1	Confident	45 Å²	45	68.2 Å²	68.2	17%	0.17	35%	0.345	C	S	.	.	H	α-helix	trans	-64.7	-38.4	176.7	-78.7	40.9	0	0	0	112.4	I270 N271 L282 A294 V297 C298 K299 D303 L304 C305	I270-W301 HydrophobicContact CB-CZ2 4.35Å; I270-W301 HydrophobicContact CG2-CZ2 3.73Å; N271-W301 PolarHBondContact OD1-NE1 2.96Å; L282-W301 HydrophobicContact CD2-CE3 4.21Å; L282-W301 HydrophobicContact CD2-CZ3 4.33Å; A294-W301 HydrophobicContact CB-CE3 4.04Å; A294-W301 HydrophobicContact CB-CZ3 4.39Å; A294-W301 WeakPolarHBondContact O-CB 3.24Å; V297-W301 HydrophobicContact CB-CB 4.39Å; V297-W301 HydrophobicContact CB-CD2 4.11Å; V297-W301 HydrophobicContact CB-CE3 3.9Å; V297-W301 HydrophobicContact CB-CG 4.35Å; V297-W301 HydrophobicContact CG1-CD2 4.1Å; V297-W301 HydrophobicContact CG1-CE3 4.18Å; V297-W301 HydrophobicContact CG1-CG 4.44Å; V297-W301 HydrophobicContact CG2-CD2 4.49Å; V297-W301 HydrophobicContact CG2-CE3 3.8Å; V297-W301 HydrophobicContact CG2-CZ3 4.05Å; C298-W301 PolarHBondContact O-N 2.88Å; C298-W301 PolarHBondContact SG-N 3.13Å; K299-W301 PolarHBondContact O-N 3.25Å; W301-D303 VanDerWaalsContact C-N 3.34Å; W301-D303 PolarHBondContact O-N 3.01Å; W301-L304 PolarHBondContact O-N 2.76Å; W301-C305 VanDerWaalsContact O-CB 3.32Å; W301-C305 WeakPolarHBondContact O-CB 3.48Å; W301-C305 PolarHBondContact O-N 2.79Å; W301-C305 PolarHBondContact O-SG 3.08Å
302	R	88.6	Confident	86.3	Confident	90 Å²	90	69.3 Å²	69.3	34%	0.34	34%	0.342	S	S	.	.	H	α-helix	trans	-58.7	-47	172.9	-169.6	-170.3	59.3	-139.3	-13.7	111.6	S295 C298 K299 Y300 C305 L306	S295-R302 VanDerWaalsContact O-CB 3.24Å; S295-R302 WeakPolarHBondContact O-CB 3.3Å; C298-R302 PolarHBondContact O-N 3Å; K299-R302 WeakPolarHBondContact O-CB 3.26Å; K299-R302 PolarHBondContact O-N 2.93Å; Y300-R302 PolarHBondContact O-N 2.96Å; R302-C305 WeakPolarHBondContact O-CB 3.35Å; R302-C305 PolarHBondContact O-N 3.2Å; R302-L306 HydrophobicContact CG-CD1 4.37Å; R302-L306 WeakPolarHBondContact O-CG 3.21Å; R302-L306 PolarHBondContact O-N 3.24Å; R302-L306 VanDerWaalsContact O-N 3.11Å
303	D	88.1	Confident	86.6	Confident	87 Å²	87	70.1 Å²	70.1	47%	0.465	34%	0.343	S	S	.	.	H	α-helix	trans	-69.4	-36.9	-176.3	-56.1	-16	0	0	0	110.2	K299 Y300 W301 L306 D307	K299-D303 PolarHBondContact O-N 2.95Å; Y300-D303 PolarHBondContact O-N 2.77Å; W301-D303 VanDerWaalsContact C-N 3.34Å; W301-D303 PolarHBondContact O-N 3.01Å; D303-L306 PolarHBondContact O-N 2.63Å; D303-D307 PolarHBondContact O-N 3.03Å
304	L	90.4	Very high	86.5	Confident	15 Å²	15	66.6 Å²	66.6	8%	0.079	32%	0.319	C	S	.	.	H	α-helix	trans	-62.6	-44	167.7	-66.6	175	0	0	0	112.4	L278 L279 L282 Y300 W301 L306 D307 F310	L278-L304 HydrophobicContact CB-CD1 3.76Å; L278-L304 HydrophobicContact CD1-CD1 3.86Å; L278-L304 HydrophobicContact CG-CD1 4.47Å; L279-L304 HydrophobicContact CD2-CB 4.18Å; L279-L304 HydrophobicContact CD2-CD2 4.13Å; L279-L304 HydrophobicContact CG-CD2 4.19Å; L282-L304 HydrophobicContact CD1-CB 3.89Å; L282-L304 HydrophobicContact CD1-CD1 4.34Å; Y300-L304 HydrophobicContact CD1-CD1 4.21Å; Y300-L304 HydrophobicContact CD2-CD1 4.43Å; Y300-L304 HydrophobicContact CD2-CG 4.29Å; Y300-L304 HydrophobicContact CE1-CD1 3.91Å; Y300-L304 HydrophobicContact CE2-CD1 4.12Å; Y300-L304 HydrophobicContact CE2-CD2 4.11Å; Y300-L304 HydrophobicContact CE2-CG 4.07Å; Y300-L304 HydrophobicContact CG-CD1 4.47Å; Y300-L304 WeakPolarHBondContact O-CG 3.38Å; Y300-L304 PolarHBondContact O-N 3.04Å; W301-L304 PolarHBondContact O-N 2.76Å; L304-L306 PolarHBondContact O-N 3.21Å; L304-L306 VanDerWaalsContact O-N 3.16Å; L304-D307 WeakPolarHBondContact O-CB 3.42Å; L304-D307 PolarHBondContact O-N 2.96Å; L304-F310 WeakPolarHBondContact O-CD2 3.5Å; L304-F310 WeakPolarHBondContact O-CE2 3.41Å
305	C	87.2	Confident	86.3	Confident	10 Å²	10	70 Å²	70	7%	0.068	34%	0.336	C	S	.	.	H	α-helix	trans	-62.3	-21.6	178.4	-72	0	0	0	0	113.3	R290 W301 R302	R290-C305 HydrophobicContact CG-CB 3.83Å; R290-C305 WeakPolarHBondContact CG-SG 3.16Å; W301-C305 VanDerWaalsContact O-CB 3.32Å; W301-C305 WeakPolarHBondContact O-CB 3.48Å; W301-C305 PolarHBondContact O-N 2.79Å; W301-C305 PolarHBondContact O-SG 3.08Å; R302-C305 WeakPolarHBondContact O-CB 3.35Å; R302-C305 PolarHBondContact O-N 3.2Å
306	L	81.9	Confident	86.3	Confident	66 Å²	66	69.3 Å²	69.3	35%	0.346	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-2.6	175.7	-66.8	171.9	0	0	0	113.5	L117 R302 D303 L304 W311	L117-L306 HydrophobicContact CD1-CD1 4.25Å; R302-L306 HydrophobicContact CG-CD1 4.37Å; R302-L306 WeakPolarHBondContact O-CG 3.21Å; R302-L306 PolarHBondContact O-N 3.24Å; R302-L306 VanDerWaalsContact O-N 3.11Å; D303-L306 PolarHBondContact O-N 2.63Å; L304-L306 PolarHBondContact O-N 3.21Å; L304-L306 VanDerWaalsContact O-N 3.16Å; L306-W311 HydrophobicContact CD2-CZ2 4.42Å; L306-W311 PolarHBondContact O-NE1 3.3Å
307	D	84.2	Confident	86.2	Confident	41 Å²	41	65.6 Å²	65.6	22%	0.219	32%	0.315	C	S	.	.			trans	-57	140.5	-179	-176	-86.9	0	0	0	112.6	L279 D303 L304 Q309 F310	L279-D307 HydrophobicContact CD2-CB 3.67Å; D303-D307 PolarHBondContact O-N 3.03Å; L304-D307 WeakPolarHBondContact O-CB 3.42Å; L304-D307 PolarHBondContact O-N 2.96Å; D307-Q309 PolarHBondContact O-N 2.88Å; D307-Q309 VanDerWaalsContact O-N 3.13Å; D307-Q309 VanDerWaalsContact OD1-CB 3.25Å; D307-Q309 WeakPolarHBondContact OD1-CB 3.31Å; D307-Q309 VanDerWaalsContact OD1-CG 3.25Å; D307-Q309 WeakPolarHBondContact OD1-CG 3.44Å; D307-Q309 PolarHBondContact OD1-N 3.43Å; D307-F310 HydrophobicContact CB-CD2 4.39Å; D307-F310 WeakPolarHBondContact O-CB 3.39Å; D307-F310 PolarHBondContact O-N 3.25Å; D307-F310 VanDerWaalsContact O-N 3.11Å
308	F	73.1	Confident	85.7	Confident	100 Å²	100	63.6 Å²	63.6	44%	0.439	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-58.5	-27.3	-174.6	76	-80.9	0	0	0	114.2	F310 W311	F308-F310 PolarHBondContact O-N 3.44Å; F308-W311 PolarHBondContact O-N 3.02Å; F308-W311 VanDerWaalsContact O-N 3.09Å
309	Q	76.6	Confident	85.3	Confident	102 Å²	102	63.4 Å²	63.4	48%	0.477	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-61.3	-34.1	178.7	-65.3	-174.6	4.2	0	0	111.7	D307 W311 K312	D307-Q309 PolarHBondContact O-N 2.88Å; D307-Q309 VanDerWaalsContact O-N 3.13Å; D307-Q309 VanDerWaalsContact OD1-CB 3.25Å; D307-Q309 WeakPolarHBondContact OD1-CB 3.31Å; D307-Q309 VanDerWaalsContact OD1-CG 3.25Å; D307-Q309 WeakPolarHBondContact OD1-CG 3.44Å; D307-Q309 PolarHBondContact OD1-N 3.43Å; Q309-W311 PolarHBondContact O-N 2.83Å; Q309-K312 PolarHBondContact O-N 3.18Å
310	F	75.9	Confident	84.8	Confident	19 Å²	19	64.9 Å²	64.9	8%	0.083	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-71.9	-14	176.6	-68.4	-35.8	0	0	0	115	L279 L282 R290 L304 D307 F308	L279-F310 HydrophobicContact CB-CZ 4.25Å; L279-F310 HydrophobicContact CD2-CD2 4.32Å; L279-F310 HydrophobicContact CD2-CE2 3.46Å; L279-F310 VanDerWaalsContact CD2-CE2 3.46Å; L279-F310 HydrophobicContact CD2-CZ 3.61Å; L279-F310 WeakPolarHBondContact O-CE1 3.35Å; L279-F310 VanDerWaalsContact O-CZ 3.31Å; L279-F310 WeakPolarHBondContact O-CZ 3.48Å; L282-F310 HydrophobicContact CB-CE1 4.43Å; L282-F310 HydrophobicContact CB-CE2 4.05Å; L282-F310 HydrophobicContact CB-CZ 3.55Å; R290-F310 VanDerWaalsContact NH1-CB 3.33Å; R290-F310 VanDerWaalsContact NH1-CG 3.33Å; L304-F310 WeakPolarHBondContact O-CD2 3.5Å; L304-F310 WeakPolarHBondContact O-CE2 3.41Å; D307-F310 HydrophobicContact CB-CD2 4.39Å; D307-F310 WeakPolarHBondContact O-CB 3.39Å; D307-F310 PolarHBondContact O-N 3.25Å; D307-F310 VanDerWaalsContact O-N 3.11Å; F308-F310 PolarHBondContact O-N 3.44Å
311	W	76.8	Confident	84.1	Confident	72 Å²	72	64.6 Å²	64.6	27%	0.273	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-97.5	-1.7	177.5	-56.4	88.5	0	0	0	112.7	L306 F308 Q309 I314 R334	L306-W311 HydrophobicContact CD2-CZ2 4.42Å; L306-W311 PolarHBondContact O-NE1 3.3Å; F308-W311 PolarHBondContact O-N 3.02Å; F308-W311 VanDerWaalsContact O-N 3.09Å; Q309-W311 PolarHBondContact O-N 2.83Å; W311-I314 HydrophobicContact CE3-CD1 3.97Å; W311-I314 WeakPolarHBondContact O-CG1 3.41Å; W311-R334 HydrophobicContact CB-CB 4.39Å; W311-R334 HydrophobicContact CB-CG 4.09Å; W311-R334 HydrophobicContact CD2-CG 4.34Å; W311-R334 HydrophobicContact CG-CG 4.05Å
312	K	84.1	Confident	83.9	Confident	89 Å²	89	62.5 Å²	62.5	39%	0.387	31%	0.312	S	S	.	.	S	Bend	trans	-70.4	-33.2	172.5	-68.3	-172.4	176.7	-175.2	0	112.4	Q309 T338 E339	Q309-K312 PolarHBondContact O-N 3.18Å; K312-T338 CarbonylContact O-C 3.54Å; K312-T338 WeakPolarHBondContact O-CA 3.03Å; K312-T338 PolarHBondContact O-N 3.19Å; K312-T338 PolarHBondContact O-OG1 3.06Å; K312-E339 PolarHBondContact O-N 3.06Å
313	Q	87.3	Confident	84.1	Confident	124 Å²	124	60.9 Å²	60.9	58%	0.579	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	109.8	-179.9	-55.4	-175.7	-11.2	0	0	108	E339	Q313-E339 WeakPolarHBondContact CA-O 3.48Å; Q313-E339 HydrophobicContact CB-CB 4.21Å; Q313-E339 HydrophobicContact CG-CB 4.03Å
314	I	86.9	Confident	84.4	Confident	7 Å²	7	57.8 Å²	57.8	4%	0.036	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	113.7	-173.5	-50	178.3	0	0	0	109	W311 L316 I330 V337 E339 I340 N341	W311-I314 HydrophobicContact CE3-CD1 3.97Å; W311-I314 WeakPolarHBondContact O-CG1 3.41Å; I314-L316 HydrophobicContact CG2-CD1 4.31Å; I314-L316 HydrophobicContact CG2-CD2 3.68Å; I314-L316 HydrophobicContact CG2-CG 3.77Å; I314-I330 HydrophobicContact CD1-CG2 3.64Å; I314-V337 HydrophobicContact CD1-CG1 4.06Å; I314-V337 HydrophobicContact CD1-CG2 3.86Å; I314-V337 HydrophobicContact CG1-CG1 4.34Å; I314-E339 PolarHBondContact N-O 3.31Å; I314-I340 HydrophobicContact CB-CG1 4.42Å; I314-I340 WeakPolarHBondContact O-CA 3.03Å; I314-N341 PolarHBondContact O-N 3.29Å
315	D	87.4	Confident	84.4	Confident	76 Å²	76	62 Å²	62	41%	0.406	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.5	169.8	-157.8	-34.5	0	0	0	110.5	V287 S317 N341	V287-D315 VanDerWaalsContact CG2-O 3.27Å; V287-D315 WeakPolarHBondContact CG2-O 3.27Å; D315-S317 VanDerWaalsContact OD1-CB 3.22Å; D315-S317 WeakPolarHBondContact OD1-CB 3.5Å; D315-S317 PolarHBondContact OD1-N 2.86Å; D315-S317 PolarHBondContact OD1-OG 3.46Å; D315-N341 HydrophobicContact CB-CB 4.4Å; D315-N341 VanDerWaalsContact CG-ND2 3.28Å; D315-N341 PolarHBondContact OD1-ND2 2.61Å; D315-N341 VanDerWaalsContact OD1-ND2 3.11Å; D315-N341 PolarHBondContact OD2-ND2 3.35Å
316	L	89.3	Confident	84.5	Confident	10 Å²	10	64.4 Å²	64.4	5%	0.052	33%	0.328	C	S	.	.			trans	-111.8	6.9	177.7	-58.2	-177.5	0	0	0	111.7	I314 L319 V322 L327 I330 N341 I342 C345	I314-L316 HydrophobicContact CG2-CD1 4.31Å; I314-L316 HydrophobicContact CG2-CD2 3.68Å; I314-L316 HydrophobicContact CG2-CG 3.77Å; L316-L319 HydrophobicContact CD2-CD1 4.49Å; L316-L319 VanDerWaalsContact O-CB 3.26Å; L316-L319 WeakPolarHBondContact O-CB 3.5Å; L316-L319 VanDerWaalsContact O-CG 3.31Å; L316-L319 WeakPolarHBondContact O-CG 3.45Å; L316-L319 PolarHBondContact O-N 3.15Å; L316-V322 HydrophobicContact CB-CG1 4.37Å; L316-V322 HydrophobicContact CB-CG2 3.99Å; L316-V322 HydrophobicContact CD1-CG1 3.95Å; L316-V322 HydrophobicContact CD1-CG2 4.47Å; L316-L327 HydrophobicContact CD1-CD2 3.82Å; L316-I330 HydrophobicContact CD1-CD1 3.87Å; L316-N341 WeakPolarHBondContact CA-O 3.46Å; L316-N341 WeakPolarHBondContact CB-O 3.35Å; L316-N341 PolarHBondContact N-O 3.24Å; L316-I342 HydrophobicContact CB-CG2 4.48Å; L316-I342 HydrophobicContact CD1-CG2 4.29Å; L316-C345 PolarHBondContact O-SG 3.09Å
317	S	89.8	Confident	84.9	Confident	46 Å²	46	61.2 Å²	61.2	32%	0.322	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	142.6	-167.5	58.5	0	0	0	0	114.1	D315 L319 N341 S343	D315-S317 VanDerWaalsContact OD1-CB 3.22Å; D315-S317 WeakPolarHBondContact OD1-CB 3.5Å; D315-S317 PolarHBondContact OD1-N 2.86Å; D315-S317 PolarHBondContact OD1-OG 3.46Å; S317-L319 PolarHBondContact O-N 3.31Å; S317-L319 VanDerWaalsContact O-N 3.14Å; S317-N341 PolarHBondContact OG-ND2 3.16Å; S317-S343 CarbonylContact C-O 3.48Å; S317-S343 WeakPolarHBondContact CA-O 3.42Å; S317-S343 WeakPolarHBondContact CB-O 3.41Å
318	G	83.6	Confident	85.2	Confident	49 Å²	49	61.1 Å²	61.1	51%	0.505	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	-3.1	-177.8	0	0	0	0	0	115.9	Q320 S343	G318-Q320 PolarHBondContact O-N 3.08Å; G318-S343 PolarHBondContact N-O 3.01Å
319	L	81.9	Confident	85.8	Confident	39 Å²	39	59.7 Å²	59.7	20%	0.204	31%	0.309	C	S	.	.			trans	-81.9	106.7	-176.9	-61.3	-177.2	0	0	0	111.3	L316 S317 Q321 V322	L316-L319 HydrophobicContact CD2-CD1 4.49Å; L316-L319 VanDerWaalsContact O-CB 3.26Å; L316-L319 WeakPolarHBondContact O-CB 3.5Å; L316-L319 VanDerWaalsContact O-CG 3.31Å; L316-L319 WeakPolarHBondContact O-CG 3.45Å; L316-L319 PolarHBondContact O-N 3.15Å; S317-L319 PolarHBondContact O-N 3.31Å; S317-L319 VanDerWaalsContact O-N 3.14Å; L319-Q321 PolarHBondContact O-N 3.35Å; L319-V322 HydrophobicContact CB-CG2 3.53Å; L319-V322 HydrophobicContact CD1-CG2 4.34Å; L319-V322 WeakPolarHBondContact O-CB 3.41Å; L319-V322 WeakPolarHBondContact O-CG2 3.38Å; L319-V322 PolarHBondContact O-N 3.23Å; L319-V322 VanDerWaalsContact O-N 3.12Å
320	Q	81.1	Confident	86.1	Confident	187 Å²	187	55.4 Å²	55.4	87%	0.874	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.3	-175.7	-64.9	-163.2	-1.1	0	0	114.7	G318 V322	G318-Q320 PolarHBondContact O-N 3.08Å; Q320-V322 PolarHBondContact O-N 3.48Å
321	Q	79.9	Confident	86.5	Confident	83 Å²	83	54.5 Å²	54.5	39%	0.388	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-7.1	176.9	71.9	-84.4	20.7	0	0	114.1	L125 L319 N323	L125-Q321 HydrophobicContact CD1-CB 4.4Å; L125-Q321 HydrophobicContact CD1-CG 4.23Å; L125-Q321 HydrophobicContact CD2-CB 4.07Å; L125-Q321 HydrophobicContact CD2-CG 4.01Å; L125-Q321 HydrophobicContact CG-CB 4.36Å; L319-Q321 PolarHBondContact O-N 3.35Å; Q321-N323 PolarHBondContact O-N 3.5Å
322	V	88.3	Confident	86.8	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.006	30%	0.295	C	S	.	.			trans	-79.9	117.1	-176.2	-177.5	0	0	0	0	109.6	L316 L319 Q320 L326 C345 G347 V348	L316-V322 HydrophobicContact CB-CG1 4.37Å; L316-V322 HydrophobicContact CB-CG2 3.99Å; L316-V322 HydrophobicContact CD1-CG1 3.95Å; L316-V322 HydrophobicContact CD1-CG2 4.47Å; L319-V322 HydrophobicContact CB-CG2 3.53Å; L319-V322 HydrophobicContact CD1-CG2 4.34Å; L319-V322 WeakPolarHBondContact O-CB 3.41Å; L319-V322 WeakPolarHBondContact O-CG2 3.38Å; L319-V322 PolarHBondContact O-N 3.23Å; L319-V322 VanDerWaalsContact O-N 3.12Å; Q320-V322 PolarHBondContact O-N 3.48Å; V322-L326 HydrophobicContact CB-CD2 4.31Å; V322-L326 HydrophobicContact CG1-CD2 4.28Å; V322-L326 HydrophobicContact CG2-CD2 3.96Å; V322-C345 HydrophobicContact CB-CB 4.1Å; V322-C345 HydrophobicContact CG1-CB 4.09Å; V322-G347 CarbonylContact O-C 3.52Å; V322-G347 WeakPolarHBondContact O-CA 3.46Å; V322-V348 HydrophobicContact CG1-CG2 3.66Å
323	N	92.3	Very high	86.3	Confident	56 Å²	56	57.7 Å²	57.7	30%	0.299	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-133.8	179.9	179.9	72.4	-11.7	0	0	0	110.7	Q321 D325 L326 L327	Q321-N323 PolarHBondContact O-N 3.5Å; N323-D325 PolarHBondContact ND2-OD2 3.1Å; N323-D325 PolarHBondContact O-N 3.27Å; N323-D325 PolarHBondContact OD1-N 3.23Å; N323-L326 PolarHBondContact O-N 2.91Å; N323-L326 WeakPolarHBondContact OD1-CB 3.41Å; N323-L326 PolarHBondContact OD1-N 3.37Å; N323-L327 PolarHBondContact O-N 3.21Å
324	D	94.1	Very high	85.5	Confident	21 Å²	21	56.9 Å²	56.9	11%	0.112	30%	0.297	C	S	.	.	H	α-helix	trans	-60	-42.8	179.8	-75.6	7.8	0	0	0	112.7	L326 L327 V328 V348 H349 Y351 G352	D324-L326 VanDerWaalsContact C-N 3.26Å; D324-L326 PolarHBondContact O-N 2.93Å; D324-L327 PolarHBondContact O-N 3.34Å; D324-L327 VanDerWaalsContact O-N 3.08Å; D324-V328 VanDerWaalsContact O-CG2 3.27Å; D324-V328 WeakPolarHBondContact O-CG2 3.38Å; D324-V328 PolarHBondContact O-N 3.43Å; D324-V348 WeakPolarHBondContact OD1-CA 3.19Å; D324-H349 PolarHBondContact OD1-N 3.06Å; D324-Y351 HydrophobicContact CB-CD1 4.11Å; D324-Y351 WeakPolarHBondContact OD2-CB 3.3Å; D324-G352 VanDerWaalsContact CG-CA 3.42Å; D324-G352 WeakPolarHBondContact OD1-CA 3.23Å; D324-G352 PolarHBondContact OD1-N 3.32Å; D324-G352 PolarHBondContact OD2-N 2.88Å
325	D	91.5	Very high	84.9	Confident	105 Å²	105	62.8 Å²	62.8	56%	0.561	32%	0.324	S	S	*	.	H	α-helix	trans	-57.8	-40.2	178.2	-54.5	-53.8	0	0	0	111.7	N323 V328 N329	N323-D325 PolarHBondContact ND2-OD2 3.1Å; N323-D325 PolarHBondContact O-N 3.27Å; N323-D325 PolarHBondContact OD1-N 3.23Å; D325-V328 PolarHBondContact O-N 3.03Å; D325-N329 WeakPolarHBondContact O-CB 3.47Å; D325-N329 PolarHBondContact O-N 3.24Å; D325-N329 PolarHBondContact O-ND2 3.16Å
326	L	88.5	Confident	84.5	Confident	59 Å²	59	64.3 Å²	64.3	31%	0.309	33%	0.332	S	S	.	.	H	α-helix	trans	-65.8	-42.5	176.3	-177.7	60.6	0	0	0	111.4	V322 N323 D324 N329 I330	V322-L326 HydrophobicContact CB-CD2 4.31Å; V322-L326 HydrophobicContact CG1-CD2 4.28Å; V322-L326 HydrophobicContact CG2-CD2 3.96Å; N323-L326 PolarHBondContact O-N 2.91Å; N323-L326 WeakPolarHBondContact OD1-CB 3.41Å; N323-L326 PolarHBondContact OD1-N 3.37Å; D324-L326 VanDerWaalsContact C-N 3.26Å; D324-L326 PolarHBondContact O-N 2.93Å; L326-N329 PolarHBondContact O-N 3.3Å; L326-I330 HydrophobicContact CD1-CD1 4.32Å; L326-I330 HydrophobicContact CD1-CG1 4.5Å; L326-I330 HydrophobicContact CG-CD1 4.07Å; L326-I330 VanDerWaalsContact O-CG1 3.31Å; L326-I330 WeakPolarHBondContact O-CG1 3.41Å; L326-I330 PolarHBondContact O-N 3.46Å
327	L	89.9	Confident	84.5	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64.5	-41.4	175.7	-68	-170.6	0	0	0	112.1	L316 N323 D324 N329 I330 A331 I340 I342 V348 V353	L316-L327 HydrophobicContact CD1-CD2 3.82Å; N323-L327 PolarHBondContact O-N 3.21Å; D324-L327 PolarHBondContact O-N 3.34Å; D324-L327 VanDerWaalsContact O-N 3.08Å; L327-N329 VanDerWaalsContact C-N 3.33Å; L327-N329 PolarHBondContact O-N 3.24Å; L327-I330 HydrophobicContact CD2-CD1 4.47Å; L327-I330 PolarHBondContact O-N 3.27Å; L327-A331 WeakPolarHBondContact O-CB 3.45Å; L327-A331 PolarHBondContact O-N 2.82Å; L327-I340 HydrophobicContact CD2-CD1 3.99Å; L327-I342 HydrophobicContact CD2-CG2 4.22Å; L327-V348 HydrophobicContact CD1-CB 4.36Å; L327-V348 HydrophobicContact CD1-CG1 3.46Å; L327-V348 VanDerWaalsContact CD1-CG1 3.46Å; L327-V348 HydrophobicContact CD1-CG2 3.9Å; L327-V348 HydrophobicContact CG-CG2 4.31Å; L327-V353 HydrophobicContact CD1-CG2 4.45Å
328	V	90.2	Very high	84.7	Confident	38 Å²	38	63.4 Å²	63.4	23%	0.23	33%	0.325	C	S	.	.	H	α-helix	trans	-62	-40.1	173.7	177.7	0	0	0	0	111.2	D324 D325 A331 S332 Y351 S355	D324-V328 VanDerWaalsContact O-CG2 3.27Å; D324-V328 WeakPolarHBondContact O-CG2 3.38Å; D324-V328 PolarHBondContact O-N 3.43Å; D325-V328 PolarHBondContact O-N 3.03Å; V328-A331 PolarHBondContact O-N 3.03Å; V328-S332 WeakPolarHBondContact O-CB 3.4Å; V328-S332 PolarHBondContact O-N 3.3Å; V328-S332 PolarHBondContact O-OG 2.77Å; V328-Y351 HydrophobicContact CG2-CE1 4.01Å; V328-S355 WeakPolarHBondContact CG2-OG 3.46Å
329	N	85.8	Confident	85.2	Confident	71 Å²	71	62.8 Å²	62.8	38%	0.38	31%	0.309	S	S	.	.	H	α-helix	trans	-66.8	-34.9	175.4	-86.1	-71.4	0	0	0	113.2	D325 L326 L327 S332 R333	D325-N329 WeakPolarHBondContact O-CB 3.47Å; D325-N329 PolarHBondContact O-N 3.24Å; D325-N329 PolarHBondContact O-ND2 3.16Å; L326-N329 PolarHBondContact O-N 3.3Å; L327-N329 VanDerWaalsContact C-N 3.33Å; L327-N329 PolarHBondContact O-N 3.24Å; N329-S332 PolarHBondContact O-OG 3.25Å; N329-R333 WeakPolarHBondContact O-CB 3.44Å; N329-R333 VanDerWaalsContact O-CD 3.25Å; N329-R333 WeakPolarHBondContact O-CD 3.43Å; N329-R333 WeakPolarHBondContact O-CG 3.48Å; N329-R333 PolarHBondContact O-N 3.37Å
330	I	84.1	Confident	85.8	Confident	12 Å²	12	60.9 Å²	60.9	6%	0.062	30%	0.299	C	S	.	.	H	α-helix	trans	-69	-51.3	173.7	-70.5	165.7	0	0	0	109.8	I314 L316 L326 L327 S332 R333 R334	I314-I330 HydrophobicContact CD1-CG2 3.64Å; L316-I330 HydrophobicContact CD1-CD1 3.87Å; L326-I330 HydrophobicContact CD1-CD1 4.32Å; L326-I330 HydrophobicContact CD1-CG1 4.5Å; L326-I330 HydrophobicContact CG-CD1 4.07Å; L326-I330 VanDerWaalsContact O-CG1 3.31Å; L326-I330 WeakPolarHBondContact O-CG1 3.41Å; L326-I330 PolarHBondContact O-N 3.46Å; L327-I330 HydrophobicContact CD2-CD1 4.47Å; L327-I330 PolarHBondContact O-N 3.27Å; I330-S332 PolarHBondContact O-N 2.99Å; I330-R333 PolarHBondContact O-N 3.45Å; I330-R334 PolarHBondContact O-N 3.28Å
331	A	84.8	Confident	86.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-56.2	-46.8	-178.9	0	0	0	0	0	113	L327 V328 R333 L356 H359	L327-A331 WeakPolarHBondContact O-CB 3.45Å; L327-A331 PolarHBondContact O-N 2.82Å; V328-A331 PolarHBondContact O-N 3.03Å; A331-R333 PolarHBondContact O-N 2.84Å; A331-L356 HydrophobicContact CB-CD1 4.12Å; A331-H359 HydrophobicContact CB-CB 3.98Å
332	S	81.4	Confident	87.3	Confident	68 Å²	68	49.3 Å²	49.3	48%	0.476	25%	0.246	S	C	.	.	H	α-helix	trans	-69.6	-28.7	179.2	53.5	0	0	0	0	113.9	V328 N329 I330	V328-S332 WeakPolarHBondContact O-CB 3.4Å; V328-S332 PolarHBondContact O-N 3.3Å; V328-S332 PolarHBondContact O-OG 2.77Å; N329-S332 PolarHBondContact O-OG 3.25Å; I330-S332 PolarHBondContact O-N 2.99Å
333	R	73.8	Confident	87.7	Confident	159 Å²	159	49.5 Å²	49.5	60%	0.6	25%	0.248	S	C	*	.	H	α-helix	trans	-87.5	-26.3	-178.8	-70.1	173.6	-171.4	-105.7	0.5	113.7	N329 I330 A331	N329-R333 WeakPolarHBondContact O-CB 3.44Å; N329-R333 VanDerWaalsContact O-CD 3.25Å; N329-R333 WeakPolarHBondContact O-CD 3.43Å; N329-R333 WeakPolarHBondContact O-CG 3.48Å; N329-R333 PolarHBondContact O-N 3.37Å; I330-R333 PolarHBondContact O-N 3.45Å; A331-R333 PolarHBondContact O-N 2.84Å
334	R	70.9	Confident	87.8	Confident	108 Å²	108	49 Å²	49	41%	0.408	25%	0.245	S	C	.	.			trans	-147.3	108.1	-170.2	-62.4	-65	177.2	-114.5	12.6	111.4	W311 I330	W311-R334 HydrophobicContact CB-CB 4.39Å; W311-R334 HydrophobicContact CB-CG 4.09Å; W311-R334 HydrophobicContact CD2-CG 4.34Å; W311-R334 HydrophobicContact CG-CG 4.05Å; I330-R334 PolarHBondContact O-N 3.28Å
335	Q	73.9	Confident	87.7	Confident	130 Å²	130	48 Å²	48	61%	0.607	24%	0.239	S	C	*	.	S	Bend	trans	-85.4	-7.2	178.7	-63.5	173.2	-3.7	0	0	113.9	V337	Q335-V337 PolarHBondContact O-N 3.49Å
336	N	80.4	Confident	87.7	Confident	108 Å²	108	52.1 Å²	52.1	58%	0.578	25%	0.247	S	C	*	.			trans	-94.6	23.8	-172.9	-66.3	-16.2	0	0	0	113.8	T338	N336-T338 PolarHBondContact O-N 3.3Å
337	V	88.9	Confident	88	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.246	C	C	.	.			trans	-72.6	121.3	177.4	-172.2	0	0	0	0	109.2	I314 Q335 I340 C360 L363	I314-V337 HydrophobicContact CD1-CG1 4.06Å; I314-V337 HydrophobicContact CD1-CG2 3.86Å; I314-V337 HydrophobicContact CG1-CG1 4.34Å; Q335-V337 PolarHBondContact O-N 3.49Å; V337-I340 HydrophobicContact CG1-CB 4.45Å; V337-C360 HydrophobicContact CB-CB 4.38Å; V337-L363 HydrophobicContact CG1-CD1 4.08Å; V337-L363 WeakPolarHBondContact O-CA 3.42Å
338	T	93.2	Very high	88.2	Confident	37 Å²	37	50.7 Å²	50.7	23%	0.227	25%	0.246	C	C	.	.			trans	-107.5	-24.9	179.9	60.1	0	0	0	0	113	K312 N336 Q364 K365	K312-T338 CarbonylContact O-C 3.54Å; K312-T338 WeakPolarHBondContact O-CA 3.03Å; K312-T338 PolarHBondContact O-N 3.19Å; K312-T338 PolarHBondContact O-OG1 3.06Å; N336-T338 PolarHBondContact O-N 3.3Å; T338-Q364 WeakPolarHBondContact O-CA 3.48Å; T338-Q364 PolarHBondContact O-N 3.45Å; T338-K365 PolarHBondContact O-N 3.22Å
339	E	94.8	Very high	88.6	Confident	36 Å²	36	53.4 Å²	53.4	17%	0.168	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	132.2	178	171.9	159.6	-143.9	0	0	109.8	K312 Q313 I314 K365	K312-E339 PolarHBondContact O-N 3.06Å; Q313-E339 WeakPolarHBondContact CA-O 3.48Å; Q313-E339 HydrophobicContact CB-CB 4.21Å; Q313-E339 HydrophobicContact CG-CB 4.03Å; I314-E339 PolarHBondContact N-O 3.31Å; E339-K365 WeakPolarHBondContact CA-O 3.49Å; E339-K365 HydrophobicContact CB-CB 3.99Å; E339-K365 HydrophobicContact CB-CD 4.22Å; E339-K365 HydrophobicContact CG-CB 3.93Å; E339-K365 HydrophobicContact CG-CD 4.03Å; E339-K365 WeakPolarHBondContact OE1-CD 3.49Å; E339-K365 IonicContact OE1-NZ 2.77Å; E339-K365 PolarHBondContact OE1-NZ 2.97Å; E339-K365 WeakPolarHBondContact OE2-CD 3.46Å; E339-K365 IonicContact OE2-NZ 3.25Å; E339-K365 PolarHBondContact OE2-NZ 3.15Å
340	I	94.7	Very high	89.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	137.8	170.6	-162.2	176.3	0	0	0	111.5	I314 L327 V337 I342 L356 L363 K365 Y366 T367	I314-I340 HydrophobicContact CB-CG1 4.42Å; I314-I340 WeakPolarHBondContact O-CA 3.03Å; L327-I340 HydrophobicContact CD2-CD1 3.99Å; V337-I340 HydrophobicContact CG1-CB 4.45Å; I340-I342 HydrophobicContact CD1-CG2 3.76Å; I340-I342 HydrophobicContact CG1-CG2 3.98Å; I340-L356 HydrophobicContact CD1-CD1 4.34Å; I340-L356 HydrophobicContact CD1-CD2 3.4Å; I340-L356 VanDerWaalsContact CD1-CD2 3.4Å; I340-L356 HydrophobicContact CG2-CD2 4Å; I340-L363 HydrophobicContact CB-CD1 4.47Å; I340-L363 HydrophobicContact CG2-CD1 4.13Å; I340-L363 HydrophobicContact CG2-CD2 4.42Å; I340-K365 PolarHBondContact N-O 3.23Å; I340-Y366 HydrophobicContact CG2-CD2 3.69Å; I340-Y366 HydrophobicContact CG2-CE2 4.33Å; I340-T367 PolarHBondContact O-N 3.07Å
341	N	95.5	Very high	89.8	Confident	26 Å²	26	58.1 Å²	58.1	14%	0.139	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.2	168.7	-178.6	14.3	0	0	0	109.7	I314 D315 L316 S317 S343 T367	I314-N341 PolarHBondContact O-N 3.29Å; D315-N341 HydrophobicContact CB-CB 4.4Å; D315-N341 VanDerWaalsContact CG-ND2 3.28Å; D315-N341 PolarHBondContact OD1-ND2 2.61Å; D315-N341 VanDerWaalsContact OD1-ND2 3.11Å; D315-N341 PolarHBondContact OD2-ND2 3.35Å; L316-N341 WeakPolarHBondContact CA-O 3.46Å; L316-N341 WeakPolarHBondContact CB-O 3.35Å; L316-N341 PolarHBondContact N-O 3.24Å; S317-N341 PolarHBondContact OG-ND2 3.16Å; N341-S343 VanDerWaalsContact OD1-CB 3.31Å; N341-S343 WeakPolarHBondContact OD1-CB 3.43Å; N341-S343 PolarHBondContact OD1-N 2.94Å; N341-S343 VanDerWaalsContact OD1-N 3.09Å; N341-S343 PolarHBondContact OD1-OG 2.87Å; N341-T367 CarbonylContact C-O 3.47Å; N341-T367 WeakPolarHBondContact CA-O 3.36Å; N341-T367 PolarHBondContact OD1-O 3.08Å
342	I	96.1	Very high	90.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.271	C	S	.	.			trans	-118.8	25	176.1	60.4	167.4	0	0	0	111.8	L316 L327 I340 D344 C345 V348 V353 Y366 T367 A368 C371 L374	L316-I342 HydrophobicContact CB-CG2 4.48Å; L316-I342 HydrophobicContact CD1-CG2 4.29Å; L327-I342 HydrophobicContact CD2-CG2 4.22Å; I340-I342 HydrophobicContact CD1-CG2 3.76Å; I340-I342 HydrophobicContact CG1-CG2 3.98Å; I342-D344 PolarHBondContact O-N 3.21Å; I342-C345 VanDerWaalsContact C-SG 3.54Å; I342-C345 HydrophobicContact CB-CB 4.22Å; I342-C345 WeakPolarHBondContact O-CB 3.16Å; I342-C345 PolarHBondContact O-N 3.22Å; I342-C345 VanDerWaalsContact O-N 3.11Å; I342-C345 PolarHBondContact O-SG 3.22Å; I342-V348 HydrophobicContact CD1-CG1 3.93Å; I342-V353 HydrophobicContact CD1-CG2 3.9Å; I342-Y366 HydrophobicContact CD1-CE2 4.06Å; I342-Y366 HydrophobicContact CG1-CE2 4.31Å; I342-T367 PolarHBondContact N-O 3.22Å; I342-A368 HydrophobicContact CD1-CB 4.04Å; I342-A368 HydrophobicContact CG1-CB 3.64Å; I342-C371 PolarHBondContact O-SG 3.25Å; I342-L374 HydrophobicContact CD1-CD1 4.17Å
343	S	96.8	Very high	91.1	Very high	6 Å²	6	54.9 Å²	54.9	4%	0.042	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	140.6	-178.9	-58.8	0	0	0	0	112.2	S317 G318 N341 C345 Y369	S317-S343 CarbonylContact C-O 3.48Å; S317-S343 WeakPolarHBondContact CA-O 3.42Å; S317-S343 WeakPolarHBondContact CB-O 3.41Å; G318-S343 PolarHBondContact N-O 3.01Å; N341-S343 VanDerWaalsContact OD1-CB 3.31Å; N341-S343 WeakPolarHBondContact OD1-CB 3.43Å; N341-S343 PolarHBondContact OD1-N 2.94Å; N341-S343 VanDerWaalsContact OD1-N 3.09Å; N341-S343 PolarHBondContact OD1-OG 2.87Å; S343-C345 PolarHBondContact O-N 3.42Å; S343-Y369 WeakPolarHBondContact CA-O 3.48Å; S343-Y369 WeakPolarHBondContact OG-CD2 3.49Å; S343-Y369 PolarHBondContact OG-N 2.67Å; S343-Y369 VanDerWaalsContact OG-N 3.09Å
344	D	94.4	Very high	92.2	Very high	45 Å²	45	48.6 Å²	48.6	24%	0.241	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	8.9	-174.9	-60.7	-76.7	0	0	0	116.3	I342 R346 Y369 R370	I342-D344 PolarHBondContact O-N 3.21Å; D344-R346 VanDerWaalsContact C-N 3.33Å; D344-R346 PolarHBondContact O-N 3.01Å; D344-Y369 PolarHBondContact N-O 2.98Å; D344-R370 WeakPolarHBondContact OD1-CB 3.38Å; D344-R370 WeakPolarHBondContact OD1-CD 3.5Å; D344-R370 IonicContact OD1-CZ 3.63Å; D344-R370 IonicContact OD1-NE 2.7Å; D344-R370 PolarHBondContact OD1-NE 3.48Å; D344-R370 IonicContact OD1-NH2 2.98Å; D344-R370 IonicContact OD2-CZ 2.91Å; D344-R370 VanDerWaalsContact OD2-CZ 3.29Å; D344-R370 IonicContact OD2-NE 2.65Å; D344-R370 PolarHBondContact OD2-NE 2.87Å; D344-R370 VanDerWaalsContact OD2-NE 3.1Å; D344-R370 IonicContact OD2-NH2 2.64Å; D344-R370 PolarHBondContact OD2-NH2 3.23Å
345	C	92.5	Very high	93.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.215	C	C	.	.			trans	-77.4	77.1	177.3	-62.4	0	0	0	0	111.5	L316 V322 I342 S343 G347 V348 Q373	L316-C345 PolarHBondContact O-SG 3.09Å; V322-C345 HydrophobicContact CB-CB 4.1Å; V322-C345 HydrophobicContact CG1-CB 4.09Å; I342-C345 VanDerWaalsContact C-SG 3.54Å; I342-C345 HydrophobicContact CB-CB 4.22Å; I342-C345 WeakPolarHBondContact O-CB 3.16Å; I342-C345 PolarHBondContact O-N 3.22Å; I342-C345 VanDerWaalsContact O-N 3.11Å; I342-C345 PolarHBondContact O-SG 3.22Å; S343-C345 PolarHBondContact O-N 3.42Å; C345-G347 PolarHBondContact O-N 2.64Å; C345-G347 VanDerWaalsContact O-N 3.11Å; C345-V348 HydrophobicContact CB-CG2 3.88Å; C345-V348 PolarHBondContact O-N 3.28Å; C345-V348 VanDerWaalsContact O-N 3.1Å; C345-Q373 PolarHBondContact O-NE2 3.23Å
346	R	92.1	Very high	94.4	Very high	192 Å²	192	38 Å²	38	73%	0.725	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.3	-175.3	-62.4	-176.8	-172.9	177	3.4	115.1	D344 V348	D344-R346 VanDerWaalsContact C-N 3.33Å; D344-R346 PolarHBondContact O-N 3.01Å; R346-V348 VanDerWaalsContact C-N 3.34Å
347	G	93	Very high	95.2	Very high	28 Å²	28	32.9 Å²	32.9	29%	0.289	16%	0.158	S	C	.	.	B	Isolated β-bridge	trans	-79.5	-13.3	175.5	0	0	0	0	0	114.4	V322 C345 H349	V322-G347 CarbonylContact O-C 3.52Å; V322-G347 WeakPolarHBondContact O-CA 3.46Å; C345-G347 PolarHBondContact O-N 2.64Å; C345-G347 VanDerWaalsContact O-N 3.11Å; G347-H349 PolarHBondContact O-ND1 2.7Å; G347-H349 VanDerWaalsContact O-ND1 3.08Å
348	V	95.8	Very high	95.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.			trans	-86.9	129.6	-179.2	178.1	0	0	0	0	111	V322 D324 L327 I342 C345 R346 V353 Q373 L374	V322-V348 HydrophobicContact CG1-CG2 3.66Å; D324-V348 WeakPolarHBondContact OD1-CA 3.19Å; L327-V348 HydrophobicContact CD1-CB 4.36Å; L327-V348 HydrophobicContact CD1-CG1 3.46Å; L327-V348 VanDerWaalsContact CD1-CG1 3.46Å; L327-V348 HydrophobicContact CD1-CG2 3.9Å; L327-V348 HydrophobicContact CG-CG2 4.31Å; I342-V348 HydrophobicContact CD1-CG1 3.93Å; C345-V348 HydrophobicContact CB-CG2 3.88Å; C345-V348 PolarHBondContact O-N 3.28Å; C345-V348 VanDerWaalsContact O-N 3.1Å; R346-V348 VanDerWaalsContact C-N 3.34Å; V348-V353 HydrophobicContact CG1-CG2 3.65Å; V348-Q373 WeakPolarHBondContact O-CG 3.19Å; V348-Q373 PolarHBondContact O-NE2 3.48Å; V348-L374 HydrophobicContact CG1-CD2 4.38Å
349	H	97.1	Very high	95.5	Very high	95 Å²	95	37.4 Å²	37.4	44%	0.44	18%	0.183	S	C	.	.			trans	-117.7	177.4	176.7	-61.4	74.3	0	0	0	110.6	D324 G347 Y351 G352 V353	D324-H349 PolarHBondContact OD1-N 3.06Å; G347-H349 PolarHBondContact O-ND1 2.7Å; G347-H349 VanDerWaalsContact O-ND1 3.08Å; H349-Y351 PolarHBondContact O-N 2.76Å; H349-Y351 VanDerWaalsContact O-N 3.13Å; H349-G352 PolarHBondContact O-N 3Å; H349-V353 PolarHBondContact O-N 3.42Å
350	D	97.8	Very high	95.4	Very high	27 Å²	27	35.7 Å²	35.7	14%	0.144	18%	0.175	C	C	.	.	H	α-helix	trans	-59.4	-27.5	-175.6	-63.5	-65	0	0	0	113	S354 G375 I377 S378	D350-S354 VanDerWaalsContact O-CB 3.25Å; D350-S354 WeakPolarHBondContact O-CB 3.27Å; D350-S354 PolarHBondContact O-N 3.09Å; D350-S354 PolarHBondContact O-OG 3.06Å; D350-G375 PolarHBondContact OD1-N 3.16Å; D350-I377 HydrophobicContact CB-CB 3.78Å; D350-I377 HydrophobicContact CB-CG2 3.83Å; D350-S378 WeakPolarHBondContact OD1-CB 3.04Å; D350-S378 PolarHBondContact OD1-N 3.32Å; D350-S378 VanDerWaalsContact OD1-N 3.15Å; D350-S378 PolarHBondContact OD1-OG 3.34Å
351	Y	97.3	Very high	95.3	Very high	155 Å²	155	39.2 Å²	39.2	61%	0.608	20%	0.198	S	C	*	.	H	α-helix	trans	-66.4	-49.3	177.8	171.6	-101.9	0	0	0	112	D324 V328 H349 V353 S354 S355	D324-Y351 HydrophobicContact CB-CD1 4.11Å; D324-Y351 WeakPolarHBondContact OD2-CB 3.3Å; V328-Y351 HydrophobicContact CG2-CE1 4.01Å; H349-Y351 PolarHBondContact O-N 2.76Å; H349-Y351 VanDerWaalsContact O-N 3.13Å; Y351-V353 VanDerWaalsContact C-N 3.34Å; Y351-V353 PolarHBondContact O-N 3.35Å; Y351-S354 PolarHBondContact O-N 3.23Å; Y351-S355 WeakPolarHBondContact O-CB 3.44Å; Y351-S355 PolarHBondContact O-N 2.88Å
352	G	96.6	Very high	95.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.8	-42.8	177.3	0	0	0	0	0	112.8	D324 H349 L356	D324-G352 VanDerWaalsContact CG-CA 3.42Å; D324-G352 WeakPolarHBondContact OD1-CA 3.23Å; D324-G352 PolarHBondContact OD1-N 3.32Å; D324-G352 PolarHBondContact OD2-N 2.88Å; H349-G352 PolarHBondContact O-N 3Å; G352-L356 WeakPolarHBondContact O-CB 3.31Å; G352-L356 PolarHBondContact O-N 2.86Å
353	V	97.7	Very high	95.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-68.7	-39.2	175.8	-174.9	0	0	0	0	111.9	L327 I342 V348 H349 Y351 L356 A357 Y366 L374 L382	L327-V353 HydrophobicContact CD1-CG2 4.45Å; I342-V353 HydrophobicContact CD1-CG2 3.9Å; V348-V353 HydrophobicContact CG1-CG2 3.65Å; H349-V353 PolarHBondContact O-N 3.42Å; Y351-V353 VanDerWaalsContact C-N 3.34Å; Y351-V353 PolarHBondContact O-N 3.35Å; V353-L356 PolarHBondContact O-N 2.94Å; V353-A357 WeakPolarHBondContact O-CB 3.45Å; V353-A357 PolarHBondContact O-N 3.24Å; V353-Y366 HydrophobicContact CG1-CE2 4.01Å; V353-L374 HydrophobicContact CG2-CD1 4.16Å; V353-L374 HydrophobicContact CG2-CD2 3.99Å; V353-L382 HydrophobicContact CG1-CD1 3.76Å; V353-L382 HydrophobicContact CG1-CD2 4.39Å; V353-L382 HydrophobicContact CG1-CG 3.99Å
354	S	97.6	Very high	95.3	Very high	28 Å²	28	43 Å²	43	20%	0.196	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-40.2	177.7	-59.2	0	0	0	0	112.2	D350 Y351 A357 S358 A381	D350-S354 VanDerWaalsContact O-CB 3.25Å; D350-S354 WeakPolarHBondContact O-CB 3.27Å; D350-S354 PolarHBondContact O-N 3.09Å; D350-S354 PolarHBondContact O-OG 3.06Å; Y351-S354 PolarHBondContact O-N 3.23Å; S354-A357 PolarHBondContact O-N 3.41Å; S354-S358 PolarHBondContact O-N 2.78Å; S354-S358 VanDerWaalsContact O-N 3.08Å; S354-S358 PolarHBondContact O-OG 2.94Å; S354-A381 WeakPolarHBondContact OG-CB 3.43Å
355	S	96	Very high	95.5	Very high	15 Å²	15	44.1 Å²	44.1	11%	0.105	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-41	174.2	-171.8	0	0	0	0	111.6	V328 Y351 S358 H359	V328-S355 WeakPolarHBondContact CG2-OG 3.46Å; Y351-S355 WeakPolarHBondContact O-CB 3.44Å; Y351-S355 PolarHBondContact O-N 2.88Å; S355-S358 PolarHBondContact O-OG 2.83Å; S355-S358 VanDerWaalsContact O-OG 3.08Å; S355-H359 PolarHBondContact O-N 2.78Å; S355-H359 PolarHBondContact O-ND1 3.21Å
356	L	95	Very high	95.8	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-59.7	-48.7	172.9	-177.7	76.2	0	0	0	111.8	A331 I340 G352 V353 S358 H359 C360	A331-L356 HydrophobicContact CB-CD1 4.12Å; I340-L356 HydrophobicContact CD1-CD1 4.34Å; I340-L356 HydrophobicContact CD1-CD2 3.4Å; I340-L356 VanDerWaalsContact CD1-CD2 3.4Å; I340-L356 HydrophobicContact CG2-CD2 4Å; G352-L356 WeakPolarHBondContact O-CB 3.31Å; G352-L356 PolarHBondContact O-N 2.86Å; V353-L356 PolarHBondContact O-N 2.94Å; L356-S358 PolarHBondContact O-N 2.98Å; L356-H359 PolarHBondContact O-N 2.98Å; L356-C360 VanDerWaalsContact O-CB 3.28Å; L356-C360 WeakPolarHBondContact O-CB 3.28Å; L356-C360 PolarHBondContact O-N 3.49Å; L356-C360 PolarHBondContact O-SG 3.47Å
357	A	96.3	Very high	96.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.7	-45.1	-178.2	0	0	0	0	0	112.3	V353 S354 H359 C360 A381 L382 H385	V353-A357 WeakPolarHBondContact O-CB 3.45Å; V353-A357 PolarHBondContact O-N 3.24Å; S354-A357 PolarHBondContact O-N 3.41Å; A357-H359 VanDerWaalsContact C-N 3.28Å; A357-H359 PolarHBondContact O-N 3.35Å; A357-C360 PolarHBondContact O-N 3.17Å; A357-A381 HydrophobicContact CB-CB 4.35Å; A357-L382 HydrophobicContact CB-CD2 3.98Å; A357-L382 HydrophobicContact CB-CG 4.24Å; A357-H385 HydrophobicContact CB-CB 4.29Å; A357-H385 VanDerWaalsContact O-CB 3.28Å; A357-H385 WeakPolarHBondContact O-CB 3.48Å
358	S	95.4	Very high	96.3	Very high	58 Å²	58	34 Å²	34	41%	0.406	18%	0.178	S	C	.	.	H	α-helix	trans	-67.3	-24.8	-178.1	63.4	0	0	0	0	114.3	S354 S355 L356	S354-S358 PolarHBondContact O-N 2.78Å; S354-S358 VanDerWaalsContact O-N 3.08Å; S354-S358 PolarHBondContact O-OG 2.94Å; S355-S358 PolarHBondContact O-OG 2.83Å; S355-S358 VanDerWaalsContact O-OG 3.08Å; L356-S358 PolarHBondContact O-N 2.98Å
359	H	93.5	Very high	96.4	Very high	73 Å²	73	36.3 Å²	36.3	34%	0.338	19%	0.187	S	C	.	.	H	α-helix	trans	-97.5	-12.2	176.7	-63.4	86.1	0	0	0	114	A331 S355 L356 A357 P361	A331-H359 HydrophobicContact CB-CB 3.98Å; S355-H359 PolarHBondContact O-N 2.78Å; S355-H359 PolarHBondContact O-ND1 3.21Å; L356-H359 PolarHBondContact O-N 2.98Å; A357-H359 VanDerWaalsContact C-N 3.28Å; A357-H359 PolarHBondContact O-N 3.35Å; H359-P361 WeakPolarHBondContact O-CD 3.19Å
360	C	92.1	Very high	96.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.			trans	-121	63.8	-176.5	-56.3	0	0	0	0	112.1	V337 L356 A357 G362 L363 C386	V337-C360 HydrophobicContact CB-CB 4.38Å; L356-C360 VanDerWaalsContact O-CB 3.28Å; L356-C360 WeakPolarHBondContact O-CB 3.28Å; L356-C360 PolarHBondContact O-N 3.49Å; L356-C360 PolarHBondContact O-SG 3.47Å; A357-C360 PolarHBondContact O-N 3.17Å; C360-G362 PolarHBondContact O-N 3.33Å; C360-G362 VanDerWaalsContact O-N 3.16Å; C360-L363 HydrophobicContact CB-CB 4.5Å; C360-L363 VanDerWaalsContact O-CB 3.31Å; C360-L363 WeakPolarHBondContact O-CB 2.77Å; C360-L363 PolarHBondContact O-N 2.98Å; C360-L363 VanDerWaalsContact O-N 3.1Å; C360-C386 PolarHBondContact O-SG 3.46Å
361	P	93.3	Very high	96.2	Very high	74 Å²	74	36.6 Å²	36.6	48%	0.481	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.8	-178.8	28.1	-36	0	0	0	113.5	H359 L363 H385	H359-P361 WeakPolarHBondContact O-CD 3.19Å; P361-L363 VanDerWaalsContact C-N 3.26Å; P361-L363 PolarHBondContact O-N 3.42Å; P361-H385 WeakPolarHBondContact CA-O 3.3Å; P361-H385 WeakPolarHBondContact CB-O 3.26Å
362	G	93.3	Very high	96.1	Very high	27 Å²	27	33.8 Å²	33.8	28%	0.278	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	6.6	174.1	0	0	0	0	0	115.4	C360 Q364	C360-G362 PolarHBondContact O-N 3.33Å; C360-G362 VanDerWaalsContact O-N 3.16Å; G362-Q364 PolarHBondContact O-N 3.29Å
363	L	96.3	Very high	96.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.			trans	-67.1	121.9	-179.5	-170.3	73.7	0	0	0	111.1	V337 I340 C360 P361 L382 C386 L389	V337-L363 HydrophobicContact CG1-CD1 4.08Å; V337-L363 WeakPolarHBondContact O-CA 3.42Å; I340-L363 HydrophobicContact CB-CD1 4.47Å; I340-L363 HydrophobicContact CG2-CD1 4.13Å; I340-L363 HydrophobicContact CG2-CD2 4.42Å; C360-L363 HydrophobicContact CB-CB 4.5Å; C360-L363 VanDerWaalsContact O-CB 3.31Å; C360-L363 WeakPolarHBondContact O-CB 2.77Å; C360-L363 PolarHBondContact O-N 2.98Å; C360-L363 VanDerWaalsContact O-N 3.1Å; P361-L363 VanDerWaalsContact C-N 3.26Å; P361-L363 PolarHBondContact O-N 3.42Å; L363-L382 HydrophobicContact CD2-CD2 3.56Å; L363-C386 HydrophobicContact CB-CB 4.09Å; L363-L389 HydrophobicContact CD2-CD2 4.31Å; L363-L389 HydrophobicContact CG-CD2 4.28Å
364	Q	97.9	Very high	96	Very high	85 Å²	85	35.1 Å²	35.1	40%	0.397	18%	0.179	S	C	.	.			trans	-106.5	-26.2	-179.4	-62.8	178	10.1	0	0	112.6	T338 G362 L388 V390 K391	T338-Q364 WeakPolarHBondContact O-CA 3.48Å; T338-Q364 PolarHBondContact O-N 3.45Å; G362-Q364 PolarHBondContact O-N 3.29Å; Q364-L388 WeakPolarHBondContact CA-O 3.25Å; Q364-V390 HydrophobicContact CB-CG2 4.37Å; Q364-V390 WeakPolarHBondContact O-CA 3.31Å; Q364-V390 PolarHBondContact O-N 3.5Å; Q364-K391 PolarHBondContact O-N 2.63Å
365	K	98.6	Very high	96	Very high	68 Å²	68	33.9 Å²	33.9	30%	0.296	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	126.2	-176.6	-53.2	-179.1	-165	162.9	0	111.8	T338 E339 I340 K391	T338-K365 PolarHBondContact O-N 3.22Å; E339-K365 WeakPolarHBondContact CA-O 3.49Å; E339-K365 HydrophobicContact CB-CB 3.99Å; E339-K365 HydrophobicContact CB-CD 4.22Å; E339-K365 HydrophobicContact CG-CB 3.93Å; E339-K365 HydrophobicContact CG-CD 4.03Å; E339-K365 WeakPolarHBondContact OE1-CD 3.49Å; E339-K365 IonicContact OE1-NZ 2.77Å; E339-K365 PolarHBondContact OE1-NZ 2.97Å; E339-K365 WeakPolarHBondContact OE2-CD 3.46Å; E339-K365 IonicContact OE2-NZ 3.25Å; E339-K365 PolarHBondContact OE2-NZ 3.15Å; I340-K365 PolarHBondContact N-O 3.23Å; K365-K391 WeakPolarHBondContact CA-O 3.21Å; K365-K391 HydrophobicContact CB-CB 4Å; K365-K391 HydrophobicContact CB-CD 4.25Å; K365-K391 HydrophobicContact CD-CD 4.23Å; K365-K391 HydrophobicContact CG-CB 3.86Å; K365-K391 HydrophobicContact CG-CD 4.34Å
366	Y	98.4	Very high	96.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.7	176.9	177.4	-108.2	0	0	0	110.3	I340 I342 V353 A368 L382 K391 V392 H393 V394	I340-Y366 HydrophobicContact CG2-CD2 3.69Å; I340-Y366 HydrophobicContact CG2-CE2 4.33Å; I342-Y366 HydrophobicContact CD1-CE2 4.06Å; I342-Y366 HydrophobicContact CG1-CE2 4.31Å; V353-Y366 HydrophobicContact CG1-CE2 4.01Å; Y366-A368 HydrophobicContact CE1-CB 3.76Å; Y366-A368 HydrophobicContact CE2-CB 4.26Å; Y366-A368 WeakPolarHBondContact OH-CB 3.42Å; Y366-L382 HydrophobicContact CD1-CD1 3.51Å; Y366-L382 HydrophobicContact CD2-CD1 3.82Å; Y366-L382 HydrophobicContact CD2-CD2 4.17Å; Y366-L382 HydrophobicContact CE1-CD1 3.41Å; Y366-L382 VanDerWaalsContact CE1-CD1 3.41Å; Y366-L382 HydrophobicContact CE2-CD1 3.77Å; Y366-L382 HydrophobicContact CG-CD1 3.7Å; Y366-L382 HydrophobicContact CG-CD2 4.38Å; Y366-K391 PolarHBondContact N-O 3.11Å; Y366-V392 HydrophobicContact CD1-CG1 4.5Å; Y366-V392 WeakPolarHBondContact O-CA 3.33Å; Y366-H393 PolarHBondContact O-N 3.11Å; Y366-V394 HydrophobicContact CD1-CG1 3.79Å; Y366-V394 HydrophobicContact CE1-CG1 3.53Å
367	T	98.6	Very high	96.2	Very high	7 Å²	7	40 Å²	40	4%	0.043	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	123.3	178.8	-50.2	0	0	0	0	109.8	I340 N341 I342 Y369 K391 H393	I340-T367 PolarHBondContact O-N 3.07Å; N341-T367 CarbonylContact C-O 3.47Å; N341-T367 WeakPolarHBondContact CA-O 3.36Å; N341-T367 PolarHBondContact OD1-O 3.08Å; I342-T367 PolarHBondContact N-O 3.22Å; T367-Y369 HydrophobicContact CG2-CD2 3.54Å; T367-Y369 HydrophobicContact CG2-CE2 3.47Å; T367-Y369 VanDerWaalsContact CG2-CE2 3.47Å; T367-K391 PolarHBondContact OG1-NZ 2.82Å; T367-H393 CarbonylContact C-O 3.55Å; T367-H393 WeakPolarHBondContact CA-O 3.42Å; T367-H393 HydrophobicContact CG2-CB 3.94Å
368	A	97.7	Very high	96.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.			trans	-149.5	56.3	-174.9	0	0	0	0	0	112	I342 Y366 L374 H393 Q397	I342-A368 HydrophobicContact CD1-CB 4.04Å; I342-A368 HydrophobicContact CG1-CB 3.64Å; Y366-A368 HydrophobicContact CE1-CB 3.76Å; Y366-A368 HydrophobicContact CE2-CB 4.26Å; Y366-A368 WeakPolarHBondContact OH-CB 3.42Å; A368-L374 HydrophobicContact CB-CD1 4.29Å; A368-H393 PolarHBondContact N-O 3.11Å; A368-Q397 PolarHBondContact O-NE2 3.31Å
369	Y	97.6	Very high	96.4	Very high	50 Å²	50	37.3 Å²	37.3	20%	0.196	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	145.4	178	-69.2	-74.5	0	0	0	111.9	S343 D344 T367 C371 H393 G395 H419	S343-Y369 WeakPolarHBondContact CA-O 3.48Å; S343-Y369 WeakPolarHBondContact OG-CD2 3.49Å; S343-Y369 PolarHBondContact OG-N 2.67Å; S343-Y369 VanDerWaalsContact OG-N 3.09Å; D344-Y369 PolarHBondContact N-O 2.98Å; T367-Y369 HydrophobicContact CG2-CD2 3.54Å; T367-Y369 HydrophobicContact CG2-CE2 3.47Å; T367-Y369 VanDerWaalsContact CG2-CE2 3.47Å; Y369-C371 PolarHBondContact O-N 2.91Å; Y369-C371 PolarHBondContact O-SG 3.07Å; Y369-C371 VanDerWaalsContact O-SG 3.35Å; Y369-H393 HydrophobicContact CE2-CB 3.96Å; Y369-H393 AromaticContact CZ-ND1 3.82Å; Y369-H393 PolarHBondContact OH-ND1 2.96Å; Y369-G395 WeakPolarHBondContact CA-O 3.31Å; Y369-H419 AromaticContact CE1-CE1 3.59Å; Y369-H419 AromaticContact CE1-CG 3.94Å; Y369-H419 AromaticContact CE1-ND1 3.58Å; Y369-H419 AromaticContact CE1-NE2 3.9Å; Y369-H419 PolarHBondContact OH-CD2 2.84Å
370	R	95.6	Very high	96.7	Very high	127 Å²	127	35.3 Å²	35.3	48%	0.479	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	15.6	172.5	-63.3	178.9	-69.3	-96.4	1.3	115.5	D344 K372 G395 N396	D344-R370 WeakPolarHBondContact OD1-CB 3.38Å; D344-R370 WeakPolarHBondContact OD1-CD 3.5Å; D344-R370 IonicContact OD1-CZ 3.63Å; D344-R370 IonicContact OD1-NE 2.7Å; D344-R370 PolarHBondContact OD1-NE 3.48Å; D344-R370 IonicContact OD1-NH2 2.98Å; D344-R370 IonicContact OD2-CZ 2.91Å; D344-R370 VanDerWaalsContact OD2-CZ 3.29Å; D344-R370 IonicContact OD2-NE 2.65Å; D344-R370 PolarHBondContact OD2-NE 2.87Å; D344-R370 VanDerWaalsContact OD2-NE 3.1Å; D344-R370 IonicContact OD2-NH2 2.64Å; D344-R370 PolarHBondContact OD2-NH2 3.23Å; R370-K372 VanDerWaalsContact C-N 3.26Å; R370-K372 PolarHBondContact O-N 3.46Å; R370-G395 PolarHBondContact N-O 3.15Å; R370-N396 HydrophobicContact CB-CB 4.46Å; R370-N396 HydrophobicContact CG-CB 3.98Å
371	C	95.8	Very high	97	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.			trans	-85.3	62.1	174.8	-63.7	0	0	0	0	111.1	I342 Y369 Q373 L374	I342-C371 PolarHBondContact O-SG 3.25Å; Y369-C371 PolarHBondContact O-N 2.91Å; Y369-C371 PolarHBondContact O-SG 3.07Å; Y369-C371 VanDerWaalsContact O-SG 3.35Å; C371-Q373 PolarHBondContact O-N 3.19Å; C371-L374 HydrophobicContact CB-CD1 3.66Å; C371-L374 HydrophobicContact CB-CG 3.99Å; C371-L374 WeakPolarHBondContact O-CB 3.33Å; C371-L374 PolarHBondContact O-N 3.32Å
372	K	95.3	Very high	97.2	Very high	96 Å²	96	32.5 Å²	32.5	42%	0.417	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-20.5	-176.7	-72.8	175.3	168	-73.8	0	114.8	R370 L374 N396 D398	R370-K372 VanDerWaalsContact C-N 3.26Å; R370-K372 PolarHBondContact O-N 3.46Å; K372-L374 VanDerWaalsContact C-N 3.35Å; K372-N396 WeakPolarHBondContact CG-O 3.27Å; K372-D398 WeakPolarHBondContact CD-OD2 3.37Å; K372-D398 IonicContact NZ-OD1 3.34Å; K372-D398 PolarHBondContact NZ-OD1 3.35Å; K372-D398 IonicContact NZ-OD2 2.7Å; K372-D398 PolarHBondContact NZ-OD2 3.16Å
373	Q	95.1	Very high	97.4	Very high	28 Å²	28	31.2 Å²	31.2	13%	0.131	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-22.4	177.2	72.6	-73.5	-4.3	0	0	113.6	C345 V348 C371 K399	C345-Q373 PolarHBondContact O-NE2 3.23Å; V348-Q373 WeakPolarHBondContact O-CG 3.19Å; V348-Q373 PolarHBondContact O-NE2 3.48Å; C371-Q373 PolarHBondContact O-N 3.19Å; Q373-K399 WeakPolarHBondContact O-CE 3.38Å; Q373-K399 PolarHBondContact O-NZ 3.36Å
374	L	97.5	Very high	97.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.166	C	C	.	.			trans	-80.4	151.7	176.7	-59.7	179.5	0	0	0	111.6	I342 V348 V353 A368 C371 K372	I342-L374 HydrophobicContact CD1-CD1 4.17Å; V348-L374 HydrophobicContact CG1-CD2 4.38Å; V353-L374 HydrophobicContact CG2-CD1 4.16Å; V353-L374 HydrophobicContact CG2-CD2 3.99Å; A368-L374 HydrophobicContact CB-CD1 4.29Å; C371-L374 HydrophobicContact CB-CD1 3.66Å; C371-L374 HydrophobicContact CB-CG 3.99Å; C371-L374 WeakPolarHBondContact O-CB 3.33Å; C371-L374 PolarHBondContact O-N 3.32Å; K372-L374 VanDerWaalsContact C-N 3.35Å
375	G	96.1	Very high	97.5	Very high	3 Å²	3	34.5 Å²	34.5	3%	0.031	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-148.6	-155.9	175.3	0	0	0	0	0	113	D350 I377 S378	D350-G375 PolarHBondContact OD1-N 3.16Å; G375-I377 PolarHBondContact O-N 3.42Å; G375-S378 PolarHBondContact O-N 3.37Å; G375-S378 PolarHBondContact O-OG 3.49Å
376	D	98.1	Very high	97.4	Very high	33 Å²	33	31.2 Å²	31.2	18%	0.176	15%	0.151	C	C	.	.	H	α-helix	trans	-56	-28.3	-171.7	-68	-27.1	0	0	0	114.9	T380 T401 M403 A404	D376-T380 WeakPolarHBondContact O-CB 3.47Å; D376-T380 PolarHBondContact O-N 3.34Å; D376-T380 PolarHBondContact O-OG1 3.05Å; D376-T401 PolarHBondContact OD1-N 2.73Å; D376-T401 WeakPolarHBondContact OD2-CB 3.45Å; D376-T401 WeakPolarHBondContact OD2-CG2 3.4Å; D376-T401 PolarHBondContact OD2-OG1 3.34Å; D376-M403 HydrophobicContact CB-CB 4.43Å; D376-A404 HydrophobicContact CB-CB 4.45Å; D376-A404 WeakPolarHBondContact OD1-CB 3.4Å
377	I	98.3	Very high	97.4	Very high	112 Å²	112	34.3 Å²	34.3	57%	0.574	17%	0.171	S	C	*	.	H	α-helix	trans	-62.2	-50.6	-179.4	-60.5	172.6	0	0	0	109.8	D350 G375 V379 T380 A381	D350-I377 HydrophobicContact CB-CB 3.78Å; D350-I377 HydrophobicContact CB-CG2 3.83Å; G375-I377 PolarHBondContact O-N 3.42Å; I377-V379 PolarHBondContact O-N 3.27Å; I377-T380 PolarHBondContact O-N 2.92Å; I377-A381 WeakPolarHBondContact O-CB 3.23Å; I377-A381 PolarHBondContact O-N 3.43Å
378	S	97.8	Very high	97.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.1	-49.3	179	64.4	0	0	0	0	112.9	D350 G375 A381 L382	D350-S378 WeakPolarHBondContact OD1-CB 3.04Å; D350-S378 PolarHBondContact OD1-N 3.32Å; D350-S378 VanDerWaalsContact OD1-N 3.15Å; D350-S378 PolarHBondContact OD1-OG 3.34Å; G375-S378 PolarHBondContact O-N 3.37Å; G375-S378 PolarHBondContact O-OG 3.49Å; S378-A381 PolarHBondContact O-N 3.24Å; S378-L382 WeakPolarHBondContact O-CG 3.37Å; S378-L382 PolarHBondContact O-N 3.05Å
379	V	98.1	Very high	97.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-72.3	-31.8	-178.1	-178.3	0	0	0	0	111.8	I377 A383 L400 A404 L408	I377-V379 PolarHBondContact O-N 3.27Å; V379-A383 VanDerWaalsContact O-CB 3.28Å; V379-A383 WeakPolarHBondContact O-CB 3.27Å; V379-A383 PolarHBondContact O-N 3Å; V379-L400 HydrophobicContact CB-CD1 4.17Å; V379-L400 HydrophobicContact CG2-CD1 3.74Å; V379-A404 HydrophobicContact CB-CB 3.86Å; V379-A404 HydrophobicContact CG1-CB 3.8Å; V379-L408 HydrophobicContact CG1-CD1 3.65Å; V379-L408 HydrophobicContact CG1-CD2 4.16Å; V379-L408 HydrophobicContact CG1-CG 3.82Å
380	T	98.4	Very high	97.4	Very high	30 Å²	30	38 Å²	38	18%	0.184	20%	0.195	C	C	.	.	H	α-helix	trans	-67.7	-40.6	172.4	-63	0	0	0	0	111.9	D376 I377 A383 T384 K407	D376-T380 WeakPolarHBondContact O-CB 3.47Å; D376-T380 PolarHBondContact O-N 3.34Å; D376-T380 PolarHBondContact O-OG1 3.05Å; I377-T380 PolarHBondContact O-N 2.92Å; T380-A383 PolarHBondContact O-N 3.37Å; T380-T384 VanDerWaalsContact O-CB 3.29Å; T380-T384 WeakPolarHBondContact O-CB 3.46Å; T380-T384 PolarHBondContact O-N 3.47Å; T380-T384 PolarHBondContact O-OG1 3.21Å; T380-K407 HydrophobicContact CG2-CB 4.33Å; T380-K407 HydrophobicContact CG2-CD 4Å; T380-K407 HydrophobicContact CG2-CG 3.79Å
381	A	98.4	Very high	97.5	Very high	13 Å²	13	33.8 Å²	33.8	11%	0.107	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-46.6	175.6	0	0	0	0	0	111.2	S354 A357 I377 S378 A383 T384 H385	S354-A381 WeakPolarHBondContact OG-CB 3.43Å; A357-A381 HydrophobicContact CB-CB 4.35Å; I377-A381 WeakPolarHBondContact O-CB 3.23Å; I377-A381 PolarHBondContact O-N 3.43Å; S378-A381 PolarHBondContact O-N 3.24Å; A381-A383 PolarHBondContact O-N 3.24Å; A381-T384 PolarHBondContact O-N 2.81Å; A381-T384 VanDerWaalsContact O-N 3.1Å; A381-H385 PolarHBondContact O-CD2 3.26Å; A381-H385 VanDerWaalsContact O-CD2 3.26Å; A381-H385 PolarHBondContact O-N 3.19Å
382	L	98.3	Very high	97.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-54.5	-50.4	171.6	-74.8	164.3	0	0	0	111.6	V353 A357 L363 Y366 S378 T384 H385 C386 L389	V353-L382 HydrophobicContact CG1-CD1 3.76Å; V353-L382 HydrophobicContact CG1-CD2 4.39Å; V353-L382 HydrophobicContact CG1-CG 3.99Å; A357-L382 HydrophobicContact CB-CD2 3.98Å; A357-L382 HydrophobicContact CB-CG 4.24Å; L363-L382 HydrophobicContact CD2-CD2 3.56Å; Y366-L382 HydrophobicContact CD1-CD1 3.51Å; Y366-L382 HydrophobicContact CD2-CD1 3.82Å; Y366-L382 HydrophobicContact CD2-CD2 4.17Å; Y366-L382 HydrophobicContact CE1-CD1 3.41Å; Y366-L382 VanDerWaalsContact CE1-CD1 3.41Å; Y366-L382 HydrophobicContact CE2-CD1 3.77Å; Y366-L382 HydrophobicContact CG-CD1 3.7Å; Y366-L382 HydrophobicContact CG-CD2 4.38Å; S378-L382 WeakPolarHBondContact O-CG 3.37Å; S378-L382 PolarHBondContact O-N 3.05Å; L382-T384 PolarHBondContact O-N 3.5Å; L382-H385 PolarHBondContact O-N 3.13Å; L382-C386 WeakPolarHBondContact O-CA 3.49Å; L382-C386 VanDerWaalsContact O-CB 3.26Å; L382-C386 WeakPolarHBondContact O-CB 3.4Å; L382-C386 PolarHBondContact O-N 2.95Å; L382-L389 HydrophobicContact CB-CD1 4.09Å
383	A	98.1	Very high	97.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.7	-25.5	178.1	0	0	0	0	0	113.5	V379 T380 A381 K407 L408 N411	V379-A383 VanDerWaalsContact O-CB 3.28Å; V379-A383 WeakPolarHBondContact O-CB 3.27Å; V379-A383 PolarHBondContact O-N 3Å; T380-A383 PolarHBondContact O-N 3.37Å; A381-A383 PolarHBondContact O-N 3.24Å; A383-K407 HydrophobicContact CB-CB 4.1Å; A383-L408 HydrophobicContact CB-CD2 4Å; A383-L408 HydrophobicContact CB-CG 4.32Å; A383-N411 WeakPolarHBondContact O-CB 3.15Å; A383-N411 PolarHBondContact O-ND2 2.78Å
384	T	98.1	Very high	98	Very high	70 Å²	70	29 Å²	29	43%	0.429	16%	0.159	S	C	.	.	H	α-helix	trans	-86	-36.2	-178.3	-58.1	0	0	0	0	112.3	T380 A381 L382	T380-T384 VanDerWaalsContact O-CB 3.29Å; T380-T384 WeakPolarHBondContact O-CB 3.46Å; T380-T384 PolarHBondContact O-N 3.47Å; T380-T384 PolarHBondContact O-OG1 3.21Å; A381-T384 PolarHBondContact O-N 2.81Å; A381-T384 VanDerWaalsContact O-N 3.1Å; L382-T384 PolarHBondContact O-N 3.5Å
385	H	97.6	Very high	97.9	Very high	84 Å²	84	29 Å²	29	39%	0.389	16%	0.159	S	C	.	.	H	α-helix	trans	-104.3	-20	-174	-61.6	-65.4	0	0	0	114.5	A357 P361 A381 L382 P387	A357-H385 HydrophobicContact CB-CB 4.29Å; A357-H385 VanDerWaalsContact O-CB 3.28Å; A357-H385 WeakPolarHBondContact O-CB 3.48Å; P361-H385 WeakPolarHBondContact CA-O 3.3Å; P361-H385 WeakPolarHBondContact CB-O 3.26Å; A381-H385 PolarHBondContact O-CD2 3.26Å; A381-H385 VanDerWaalsContact O-CD2 3.26Å; A381-H385 PolarHBondContact O-N 3.19Å; L382-H385 PolarHBondContact O-N 3.13Å; H385-P387 VanDerWaalsContact C-CD 3.45Å; H385-P387 VanDerWaalsContact O-CD 3.22Å; H385-P387 WeakPolarHBondContact O-CD 3.38Å
386	C	97.2	Very high	97.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.166	C	C	.	.			trans	-118.3	69.4	-175.8	-49	0	0	0	0	111.4	C360 L363 L382 L388 L389	C360-C386 PolarHBondContact O-SG 3.46Å; L363-C386 HydrophobicContact CB-CB 4.09Å; L382-C386 WeakPolarHBondContact O-CA 3.49Å; L382-C386 VanDerWaalsContact O-CB 3.26Å; L382-C386 WeakPolarHBondContact O-CB 3.4Å; L382-C386 PolarHBondContact O-N 2.95Å; C386-L388 PolarHBondContact O-N 3.29Å; C386-L388 VanDerWaalsContact O-N 3.12Å; C386-L389 HydrophobicContact CB-CD1 3.93Å; C386-L389 HydrophobicContact CB-CG 3.88Å; C386-L389 WeakPolarHBondContact O-CD1 3.34Å; C386-L389 VanDerWaalsContact O-CG 3.27Å; C386-L389 WeakPolarHBondContact O-CG 3.07Å; C386-L389 PolarHBondContact O-N 2.98Å
387	P	96.6	Very high	97.8	Very high	64 Å²	64	28.8 Å²	28.8	42%	0.416	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-14	-176.6	29.2	-36.6	0	0	0	113.9	H385 L389	H385-P387 VanDerWaalsContact C-CD 3.45Å; H385-P387 VanDerWaalsContact O-CD 3.22Å; H385-P387 WeakPolarHBondContact O-CD 3.38Å; P387-L389 VanDerWaalsContact C-N 3.28Å; P387-L389 PolarHBondContact O-N 3.16Å
388	L	97.4	Very high	97.5	Very high	90 Å²	90	26.9 Å²	26.9	47%	0.471	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	11.8	177.6	-59.1	-179.7	0	0	0	113.5	Q364 C386 V390	Q364-L388 WeakPolarHBondContact CA-O 3.25Å; C386-L388 PolarHBondContact O-N 3.29Å; C386-L388 VanDerWaalsContact O-N 3.12Å; L388-V390 PolarHBondContact O-N 3.33Å
389	L	98.5	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.172	C	C	.	.			trans	-61.4	117.7	177.3	-81.4	168.5	0	0	0	111.8	L363 L382 C386 P387 V392 C412 E414 L415	L363-L389 HydrophobicContact CD2-CD2 4.31Å; L363-L389 HydrophobicContact CG-CD2 4.28Å; L382-L389 HydrophobicContact CB-CD1 4.09Å; C386-L389 HydrophobicContact CB-CD1 3.93Å; C386-L389 HydrophobicContact CB-CG 3.88Å; C386-L389 WeakPolarHBondContact O-CD1 3.34Å; C386-L389 VanDerWaalsContact O-CG 3.27Å; C386-L389 WeakPolarHBondContact O-CG 3.07Å; C386-L389 PolarHBondContact O-N 2.98Å; P387-L389 VanDerWaalsContact C-N 3.28Å; P387-L389 PolarHBondContact O-N 3.16Å; L389-V392 HydrophobicContact CB-CG2 4.39Å; L389-V392 HydrophobicContact CD1-CG2 4.19Å; L389-V392 HydrophobicContact CD2-CG2 4.24Å; L389-C412 HydrophobicContact CB-CB 4.45Å; L389-E414 CarbonylContact O-C 3.39Å; L389-L415 VanDerWaalsContact O-CA 3.27Å; L389-L415 WeakPolarHBondContact O-CA 3.31Å; L389-L415 PolarHBondContact O-N 2.76Å
390	V	98.6	Very high	97.4	Very high	44 Å²	44	32.3 Å²	32.3	27%	0.267	17%	0.172	S	C	.	.			trans	-100.5	-32.9	175.9	-179.4	0	0	0	0	111.3	Q364 L388 R416 D417	Q364-V390 HydrophobicContact CB-CG2 4.37Å; Q364-V390 WeakPolarHBondContact O-CA 3.31Å; Q364-V390 PolarHBondContact O-N 3.5Å; L388-V390 PolarHBondContact O-N 3.33Å; V390-R416 HydrophobicContact CG1-CB 3.89Å; V390-R416 HydrophobicContact CG1-CG 3.93Å; V390-R416 PolarHBondContact O-N 2.82Å; V390-D417 PolarHBondContact O-N 3.33Å
391	K	98.8	Very high	97.4	Very high	40 Å²	40	33.5 Å²	33.5	17%	0.174	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	127.3	-177.4	-177.9	-168.8	178.6	-152	0	111.9	Q364 K365 Y366 T367 H393 D417	Q364-K391 PolarHBondContact O-N 2.63Å; K365-K391 WeakPolarHBondContact CA-O 3.21Å; K365-K391 HydrophobicContact CB-CB 4Å; K365-K391 HydrophobicContact CB-CD 4.25Å; K365-K391 HydrophobicContact CD-CD 4.23Å; K365-K391 HydrophobicContact CG-CB 3.86Å; K365-K391 HydrophobicContact CG-CD 4.34Å; Y366-K391 PolarHBondContact N-O 3.11Å; T367-K391 PolarHBondContact OG1-NZ 2.82Å; K391-H393 WeakPolarHBondContact CE-CE1 3.38Å; K391-H393 VanDerWaalsContact CE-CG 3.49Å; K391-H393 WeakPolarHBondContact CE-ND1 3.45Å; K391-D417 CarbonylContact C-O 3.55Å; K391-D417 VanDerWaalsContact CA-O 3.28Å; K391-D417 WeakPolarHBondContact CA-O 3.44Å; K391-D417 HydrophobicContact CB-CB 4.29Å; K391-D417 HydrophobicContact CG-CB 4.1Å
392	V	98.8	Very high	97.4	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	105.1	174.8	175.2	0	0	0	0	110.4	Y366 L389 V394 L408 L415 D417 I418 H419	Y366-V392 HydrophobicContact CD1-CG1 4.5Å; Y366-V392 WeakPolarHBondContact O-CA 3.33Å; L389-V392 HydrophobicContact CB-CG2 4.39Å; L389-V392 HydrophobicContact CD1-CG2 4.19Å; L389-V392 HydrophobicContact CD2-CG2 4.24Å; V392-V394 HydrophobicContact CG1-CG1 3.94Å; V392-V394 HydrophobicContact CG1-CG2 4.25Å; V392-L408 HydrophobicContact CG1-CD1 4.35Å; V392-L408 HydrophobicContact CG2-CD2 4.22Å; V392-L415 HydrophobicContact CB-CD1 4.12Å; V392-L415 HydrophobicContact CG2-CD1 3.71Å; V392-D417 PolarHBondContact N-O 3.13Å; V392-I418 HydrophobicContact CB-CG1 4.32Å; V392-I418 WeakPolarHBondContact O-CA 3.37Å; V392-I418 WeakPolarHBondContact O-CG1 3.35Å; V392-H419 PolarHBondContact O-N 2.78Å; V392-H419 VanDerWaalsContact O-N 3.07Å
393	H	98.8	Very high	97.4	Very high	20 Å²	20	39.1 Å²	39.1	9%	0.093	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	104	-177.6	-80.2	-162.9	0	0	0	110.1	Y366 T367 A368 Y369 K391 D417 H419	Y366-H393 PolarHBondContact O-N 3.11Å; T367-H393 CarbonylContact C-O 3.55Å; T367-H393 WeakPolarHBondContact CA-O 3.42Å; T367-H393 HydrophobicContact CG2-CB 3.94Å; A368-H393 PolarHBondContact N-O 3.11Å; Y369-H393 HydrophobicContact CE2-CB 3.96Å; Y369-H393 AromaticContact CZ-ND1 3.82Å; Y369-H393 PolarHBondContact OH-ND1 2.96Å; K391-H393 WeakPolarHBondContact CE-CE1 3.38Å; K391-H393 VanDerWaalsContact CE-CG 3.49Å; K391-H393 WeakPolarHBondContact CE-ND1 3.45Å; H393-D417 IonicContact CD2-OD1 2.68Å; H393-D417 IonicContact CE1-OD1 3.8Å; H393-D417 IonicContact CE1-OD2 3.91Å; H393-D417 IonicContact NE2-OD1 3.29Å; H393-D417 PolarHBondContact NE2-OD1 2.95Å; H393-D417 IonicContact NE2-OD2 3.27Å; H393-D417 PolarHBondContact NE2-OD2 2.82Å; H393-D417 VanDerWaalsContact NE2-OD2 3.1Å; H393-H419 HydrophobicContact CB-CB 4.28Å; H393-H419 VanDerWaalsContact CD2-CB 3.49Å; H393-H419 WeakPolarHBondContact CD2-CB 3.35Å
394	V	97.8	Very high	97.4	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	21%	0.205	C	C	.	.			trans	-134.3	40	-168.2	-65.8	0	0	0	0	112.6	Y366 V392 Q397 L400 H419 L420 C423	Y366-V394 HydrophobicContact CD1-CG1 3.79Å; Y366-V394 HydrophobicContact CE1-CG1 3.53Å; V392-V394 HydrophobicContact CG1-CG1 3.94Å; V392-V394 HydrophobicContact CG1-CG2 4.25Å; V394-Q397 WeakPolarHBondContact O-CG 3.29Å; V394-L400 HydrophobicContact CG2-CD2 3.74Å; V394-H419 PolarHBondContact N-O 2.89Å; V394-L420 HydrophobicContact CG2-CD2 3.54Å; V394-C423 PolarHBondContact O-SG 3.33Å
395	G	96.2	Very high	97.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	150.3	-180	0	0	0	0	0	113.7	Y369 R370 G421	Y369-G395 WeakPolarHBondContact CA-O 3.31Å; R370-G395 PolarHBondContact N-O 3.15Å; G395-G421 CarbonylContact C-O 3.49Å; G395-G421 WeakPolarHBondContact CA-O 3.25Å
396	N	96.4	Very high	97.5	Very high	31 Å²	31	35.8 Å²	35.8	17%	0.166	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	39.1	-178.4	-57.8	101.3	0	0	0	114.8	R370 K372 G421 Q422	R370-N396 HydrophobicContact CB-CB 4.46Å; R370-N396 HydrophobicContact CG-CB 3.98Å; K372-N396 WeakPolarHBondContact CG-O 3.27Å; N396-G421 PolarHBondContact N-O 2.78Å; N396-Q422 WeakPolarHBondContact ND2-CB 3.39Å; N396-Q422 PolarHBondContact ND2-OE1 3.27Å
397	Q	95.7	Very high	97.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.			trans	-104.1	94.8	173.7	-65.4	-171.3	1.3	0	0	110.6	A368 V394 K399 L400	A368-Q397 PolarHBondContact O-NE2 3.31Å; V394-Q397 WeakPolarHBondContact O-CG 3.29Å; Q397-K399 PolarHBondContact O-N 2.79Å; Q397-L400 HydrophobicContact CB-CB 4.08Å; Q397-L400 WeakPolarHBondContact O-CB 3.37Å; Q397-L400 PolarHBondContact O-N 3.35Å
398	D	92.3	Very high	97.6	Very high	72 Å²	72	36.9 Å²	36.9	39%	0.385	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-23.6	-171.4	-56.9	-15.5	0	0	0	113.7	K372	K372-D398 WeakPolarHBondContact CD-OD2 3.37Å; K372-D398 IonicContact NZ-OD1 3.34Å; K372-D398 PolarHBondContact NZ-OD1 3.35Å; K372-D398 IonicContact NZ-OD2 2.7Å; K372-D398 PolarHBondContact NZ-OD2 3.16Å
399	K	95.8	Very high	97.7	Very high	115 Å²	115	32.9 Å²	32.9	50%	0.5	16%	0.163	S	C	.	.	B	Isolated β-bridge	trans	-91.9	1.6	-179.3	-54	178.8	-176.4	176.4	0	114.2	Q373 Q397	Q373-K399 WeakPolarHBondContact O-CE 3.38Å; Q373-K399 PolarHBondContact O-NZ 3.36Å; Q397-K399 PolarHBondContact O-N 2.79Å
400	L	97.5	Very high	97.7	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.184	C	C	.	.			trans	-83.7	130.7	-176	-164.5	69.5	0	0	0	110.6	V379 V394 Q397 A404 L420 C423 G425 I426	V379-L400 HydrophobicContact CB-CD1 4.17Å; V379-L400 HydrophobicContact CG2-CD1 3.74Å; V394-L400 HydrophobicContact CG2-CD2 3.74Å; Q397-L400 HydrophobicContact CB-CB 4.08Å; Q397-L400 WeakPolarHBondContact O-CB 3.37Å; Q397-L400 PolarHBondContact O-N 3.35Å; L400-A404 HydrophobicContact CD1-CB 3.45Å; L400-A404 VanDerWaalsContact CD1-CB 3.45Å; L400-A404 HydrophobicContact CG-CB 4.21Å; L400-L420 HydrophobicContact CD2-CD2 4.4Å; L400-C423 HydrophobicContact CD2-CB 4.45Å; L400-G425 CarbonylContact O-C 3.55Å; L400-G425 WeakPolarHBondContact O-CA 2.96Å; L400-I426 HydrophobicContact CD2-CD1 4.14Å
401	T	98.4	Very high	97.6	Very high	55 Å²	55	36.3 Å²	36.3	34%	0.337	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-127.1	179.2	-177.2	85.7	0	0	0	0	112.3	D376 M403 A404	D376-T401 PolarHBondContact OD1-N 2.73Å; D376-T401 WeakPolarHBondContact OD2-CB 3.45Å; D376-T401 WeakPolarHBondContact OD2-CG2 3.4Å; D376-T401 PolarHBondContact OD2-OG1 3.34Å; T401-M403 PolarHBondContact O-N 2.7Å; T401-M403 VanDerWaalsContact O-N 3.09Å; T401-M403 PolarHBondContact OG1-N 3.28Å; T401-A404 PolarHBondContact O-N 3.25Å
402	D	98.6	Very high	97.6	Very high	25 Å²	25	34.4 Å²	34.4	13%	0.134	18%	0.179	C	C	.	.	H	α-helix	trans	-56.5	-21.2	174.3	-62.1	-29.7	0	0	0	114.2	L405 K406 T427 G430	D402-L405 PolarHBondContact O-N 3.37Å; D402-K406 HydrophobicContact CB-CD 4.45Å; D402-K406 VanDerWaalsContact O-CB 3.29Å; D402-K406 WeakPolarHBondContact O-CB 3.33Å; D402-K406 VanDerWaalsContact O-CG 3.22Å; D402-K406 WeakPolarHBondContact O-CG 3.32Å; D402-K406 PolarHBondContact O-N 2.9Å; D402-T427 PolarHBondContact OD1-N 3.47Å; D402-T427 PolarHBondContact OD2-OG1 2.84Å; D402-G430 VanDerWaalsContact OD1-CA 3.25Å; D402-G430 WeakPolarHBondContact OD1-CA 3.4Å; D402-G430 PolarHBondContact OD1-N 3.08Å
403	M	98.5	Very high	97.5	Very high	107 Å²	107	42.6 Å²	42.6	53%	0.527	21%	0.209	S	C	.	.	H	α-helix	trans	-60.8	-45	177.2	-174	64.9	71.5	0	0	111.5	D376 T401 K406 K407	D376-M403 HydrophobicContact CB-CB 4.43Å; T401-M403 PolarHBondContact O-N 2.7Å; T401-M403 VanDerWaalsContact O-N 3.09Å; T401-M403 PolarHBondContact OG1-N 3.28Å; M403-K406 PolarHBondContact O-N 2.84Å; M403-K407 WeakPolarHBondContact O-CG 3.24Å; M403-K407 PolarHBondContact O-N 3.04Å
404	A	98.2	Very high	97.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-45	176.7	0	0	0	0	0	112.1	D376 V379 L400 T401 K407 L408	D376-A404 HydrophobicContact CB-CB 4.45Å; D376-A404 WeakPolarHBondContact OD1-CB 3.4Å; V379-A404 HydrophobicContact CB-CB 3.86Å; V379-A404 HydrophobicContact CG1-CB 3.8Å; L400-A404 HydrophobicContact CD1-CB 3.45Å; L400-A404 VanDerWaalsContact CD1-CB 3.45Å; L400-A404 HydrophobicContact CG-CB 4.21Å; T401-A404 PolarHBondContact O-N 3.25Å; A404-K407 PolarHBondContact O-N 2.81Å; A404-L408 WeakPolarHBondContact O-CG 3.15Å; A404-L408 PolarHBondContact O-N 3.1Å
405	L	98.6	Very high	97.6	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-68.3	-38.5	179.9	-85	61.9	0	0	0	112	D402 K407 L408 G409 L420 I426 M431 L434	D402-L405 PolarHBondContact O-N 3.37Å; L405-K407 VanDerWaalsContact C-N 3.27Å; L405-K407 PolarHBondContact O-N 3.43Å; L405-L408 PolarHBondContact O-N 2.81Å; L405-G409 PolarHBondContact O-N 2.66Å; L405-L420 HydrophobicContact CD1-CD1 4.3Å; L405-L420 HydrophobicContact CD2-CD1 3.91Å; L405-L420 HydrophobicContact CG-CD1 4.27Å; L405-I426 HydrophobicContact CD1-CD1 3.77Å; L405-I426 HydrophobicContact CD1-CG1 4.1Å; L405-I426 HydrophobicContact CD2-CD1 4.18Å; L405-I426 HydrophobicContact CD2-CG1 4.33Å; L405-I426 HydrophobicContact CD2-CG2 3.6Å; L405-M431 HydrophobicContact CD2-CG 4.42Å; L405-M431 HydrophobicContact CD2-SD 3.8Å; L405-L434 HydrophobicContact CB-CB 4.44Å
406	K	98.6	Very high	97.7	Very high	84 Å²	84	47.9 Å²	47.9	37%	0.365	23%	0.231	S	C	.	.	H	α-helix	trans	-60.4	-37.5	172.6	-76.8	167.6	178.5	-175.9	0	111.3	D402 M403 A410 E429 A433	D402-K406 HydrophobicContact CB-CD 4.45Å; D402-K406 VanDerWaalsContact O-CB 3.29Å; D402-K406 WeakPolarHBondContact O-CB 3.33Å; D402-K406 VanDerWaalsContact O-CG 3.22Å; D402-K406 WeakPolarHBondContact O-CG 3.32Å; D402-K406 PolarHBondContact O-N 2.9Å; M403-K406 PolarHBondContact O-N 2.84Å; K406-A410 WeakPolarHBondContact O-CB 3.35Å; K406-A410 PolarHBondContact O-N 3.08Å; K406-A410 VanDerWaalsContact O-N 3.1Å; K406-E429 WeakPolarHBondContact CE-O 3.12Å; K406-E429 IonicContact NZ-OE2 2.63Å; K406-E429 PolarHBondContact NZ-OE2 3.21Å; K406-A433 HydrophobicContact CB-CB 4.28Å; K406-A433 HydrophobicContact CG-CB 3.43Å; K406-A433 VanDerWaalsContact CG-CB 3.43Å
407	K	98.5	Very high	97.8	Very high	84 Å²	84	47.8 Å²	47.8	37%	0.365	23%	0.231	S	C	.	.	H	α-helix	trans	-73.7	-41.6	175.4	-72.2	-74.1	-176.8	178.2	0	113.4	T380 A383 M403 A404 L405 A410 N411	T380-K407 HydrophobicContact CG2-CB 4.33Å; T380-K407 HydrophobicContact CG2-CD 4Å; T380-K407 HydrophobicContact CG2-CG 3.79Å; A383-K407 HydrophobicContact CB-CB 4.1Å; M403-K407 WeakPolarHBondContact O-CG 3.24Å; M403-K407 PolarHBondContact O-N 3.04Å; A404-K407 PolarHBondContact O-N 2.81Å; L405-K407 VanDerWaalsContact C-N 3.27Å; L405-K407 PolarHBondContact O-N 3.43Å; K407-A410 PolarHBondContact O-N 3.28Å; K407-N411 PolarHBondContact O-N 2.79Å
408	L	98.5	Very high	97.9	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-57.8	-51	171.5	-75.1	169.7	0	0	0	110.9	V379 A383 V392 A404 L405 A410 N411 C412 I418 L434	V379-L408 HydrophobicContact CG1-CD1 3.65Å; V379-L408 HydrophobicContact CG1-CD2 4.16Å; V379-L408 HydrophobicContact CG1-CG 3.82Å; A383-L408 HydrophobicContact CB-CD2 4Å; A383-L408 HydrophobicContact CB-CG 4.32Å; V392-L408 HydrophobicContact CG1-CD1 4.35Å; V392-L408 HydrophobicContact CG2-CD2 4.22Å; A404-L408 WeakPolarHBondContact O-CG 3.15Å; A404-L408 PolarHBondContact O-N 3.1Å; L405-L408 PolarHBondContact O-N 2.81Å; L408-A410 VanDerWaalsContact C-N 3.32Å; L408-A410 PolarHBondContact O-N 3.06Å; L408-N411 PolarHBondContact O-N 2.96Å; L408-C412 HydrophobicContact CD2-CB 4.41Å; L408-C412 WeakPolarHBondContact O-CA 3.25Å; L408-C412 WeakPolarHBondContact O-CB 3.25Å; L408-C412 PolarHBondContact O-N 3.3Å; L408-I418 HydrophobicContact CD1-CD1 4.21Å; L408-L434 HydrophobicContact CB-CD1 3.86Å
409	G	98.3	Very high	98.2	Very high	6 Å²	6	46 Å²	46	6%	0.062	22%	0.22	C	C	.	.	H	α-helix	trans	-61.2	-35.8	178.4	0	0	0	0	0	113.8	L405 N411 G437	L405-G409 PolarHBondContact O-N 2.66Å; G409-N411 PolarHBondContact O-N 3.33Å; G409-G437 WeakPolarHBondContact O-CA 3.36Å
410	A	98.3	Very high	98.3	Very high	54 Å²	54	40.5 Å²	40.5	45%	0.446	20%	0.196	S	C	.	.	H	α-helix	trans	-65.6	-38.6	177.9	0	0	0	0	0	113.2	K406 K407 L408	K406-A410 WeakPolarHBondContact O-CB 3.35Å; K406-A410 PolarHBondContact O-N 3.08Å; K406-A410 VanDerWaalsContact O-N 3.1Å; K407-A410 PolarHBondContact O-N 3.28Å; L408-A410 VanDerWaalsContact C-N 3.32Å; L408-A410 PolarHBondContact O-N 3.06Å
411	N	98.1	Very high	98.3	Very high	63 Å²	63	40.5 Å²	40.5	34%	0.337	20%	0.196	S	C	.	.	H	α-helix	trans	-117.8	-31.9	-163.1	-63.1	-8.1	0	0	0	114.9	A383 K407 L408 G409 R413	A383-N411 WeakPolarHBondContact O-CB 3.15Å; A383-N411 PolarHBondContact O-ND2 2.78Å; K407-N411 PolarHBondContact O-N 2.79Å; L408-N411 PolarHBondContact O-N 2.96Å; G409-N411 PolarHBondContact O-N 3.33Å; N411-R413 PolarHBondContact O-N 2.89Å
412	C	97.9	Very high	98.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.19	C	C	.	.			trans	-98.1	65.4	-171.1	-62.1	0	0	0	0	111.8	L389 L408 E414 L415 C438	L389-C412 HydrophobicContact CB-CB 4.45Å; L408-C412 HydrophobicContact CD2-CB 4.41Å; L408-C412 WeakPolarHBondContact O-CA 3.25Å; L408-C412 WeakPolarHBondContact O-CB 3.25Å; L408-C412 PolarHBondContact O-N 3.3Å; C412-E414 PolarHBondContact O-N 3.47Å; C412-L415 HydrophobicContact CB-CB 4.45Å; C412-L415 VanDerWaalsContact O-CB 3.3Å; C412-L415 WeakPolarHBondContact O-CB 3.41Å; C412-L415 PolarHBondContact O-N 3.21Å; C412-C438 PolarHBondContact O-SG 3.37Å
413	R	97.6	Very high	98.2	Very high	173 Å²	173	38.7 Å²	38.7	65%	0.653	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.5	-175.9	-62.9	-176.2	-178.5	-178	-0.4	114.3	N411 L415	N411-R413 PolarHBondContact O-N 2.89Å; R413-L415 VanDerWaalsContact C-N 3.32Å
414	E	98.1	Very high	98	Very high	65 Å²	65	38.3 Å²	38.3	30%	0.304	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	5.2	176.5	-61.6	-51.9	124.7	0	0	113.9	L389 C412 R416 K440	L389-E414 CarbonylContact O-C 3.39Å; C412-E414 PolarHBondContact O-N 3.47Å; E414-R416 WeakPolarHBondContact O-CG 3.18Å; E414-R416 PolarHBondContact O-N 3.34Å; E414-K440 IonicContact OE1-NZ 3.37Å; E414-K440 PolarHBondContact OE1-NZ 3.5Å; E414-K440 WeakPolarHBondContact OE2-CD 3.11Å; E414-K440 IonicContact OE2-NZ 2.84Å; E414-K440 PolarHBondContact OE2-NZ 3.28Å
415	L	98.7	Very high	98	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.192	C	C	.	.			trans	-66	124.4	-177.8	-168	72.6	0	0	0	111.5	L389 V392 C412 R413 I418 L434 C438 K440 L441	L389-L415 VanDerWaalsContact O-CA 3.27Å; L389-L415 WeakPolarHBondContact O-CA 3.31Å; L389-L415 PolarHBondContact O-N 2.76Å; V392-L415 HydrophobicContact CB-CD1 4.12Å; V392-L415 HydrophobicContact CG2-CD1 3.71Å; C412-L415 HydrophobicContact CB-CB 4.45Å; C412-L415 VanDerWaalsContact O-CB 3.3Å; C412-L415 WeakPolarHBondContact O-CB 3.41Å; C412-L415 PolarHBondContact O-N 3.21Å; R413-L415 VanDerWaalsContact C-N 3.32Å; L415-I418 HydrophobicContact CD2-CB 4.27Å; L415-I418 HydrophobicContact CD2-CD1 4.08Å; L415-I418 HydrophobicContact CD2-CG1 4.42Å; L415-L434 HydrophobicContact CD2-CD1 4.05Å; L415-C438 HydrophobicContact CB-CB 4.22Å; L415-K440 CarbonylContact O-C 3.58Å; L415-L441 HydrophobicContact CD2-CD1 4.45Å; L415-L441 HydrophobicContact CG-CD1 4.35Å; L415-L441 PolarHBondContact O-N 3.31Å
416	R	98.8	Very high	98	Very high	67 Å²	67	39.8 Å²	39.8	25%	0.253	19%	0.192	S	C	.	.			trans	-116.3	-28.8	-178.7	-61.3	-175.6	-175.9	-83.1	-3.4	113.5	V390 E414 Q442 R443 E466	V390-R416 HydrophobicContact CG1-CB 3.89Å; V390-R416 HydrophobicContact CG1-CG 3.93Å; V390-R416 PolarHBondContact O-N 2.82Å; E414-R416 WeakPolarHBondContact O-CG 3.18Å; E414-R416 PolarHBondContact O-N 3.34Å; R416-Q442 HydrophobicContact CB-CB 4.42Å; R416-Q442 CarbonylContact O-C 3.56Å; R416-Q442 WeakPolarHBondContact O-CA 3.41Å; R416-Q442 PolarHBondContact O-N 2.96Å; R416-R443 PolarHBondContact O-N 2.97Å; R416-E466 IonicContact NH1-OE2 3.16Å; R416-E466 PolarHBondContact NH1-OE2 2.75Å
417	D	98.8	Very high	98	Very high	30 Å²	30	37.6 Å²	37.6	16%	0.16	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	116.3	-174	-178	7	0	0	0	111	V390 K391 V392 H393 R443	V390-D417 PolarHBondContact O-N 3.33Å; K391-D417 CarbonylContact C-O 3.55Å; K391-D417 VanDerWaalsContact CA-O 3.28Å; K391-D417 WeakPolarHBondContact CA-O 3.44Å; K391-D417 HydrophobicContact CB-CB 4.29Å; K391-D417 HydrophobicContact CG-CB 4.1Å; V392-D417 PolarHBondContact N-O 3.13Å; H393-D417 IonicContact CD2-OD1 2.68Å; H393-D417 IonicContact CE1-OD1 3.8Å; H393-D417 IonicContact CE1-OD2 3.91Å; H393-D417 IonicContact NE2-OD1 3.29Å; H393-D417 PolarHBondContact NE2-OD1 2.95Å; H393-D417 IonicContact NE2-OD2 3.27Å; H393-D417 PolarHBondContact NE2-OD2 2.82Å; H393-D417 VanDerWaalsContact NE2-OD2 3.1Å; D417-R443 HydrophobicContact CB-CB 4.17Å; D417-R443 HydrophobicContact CB-CG 4.5Å; D417-R443 WeakPolarHBondContact OD1-CB 3.49Å
418	I	98.7	Very high	98	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.6	177.8	-156.2	-179.1	0	0	0	112.3	V392 L408 L415 L420 L434 L441 R443 L444 Y445	V392-I418 HydrophobicContact CB-CG1 4.32Å; V392-I418 WeakPolarHBondContact O-CA 3.37Å; V392-I418 WeakPolarHBondContact O-CG1 3.35Å; L408-I418 HydrophobicContact CD1-CD1 4.21Å; L415-I418 HydrophobicContact CD2-CB 4.27Å; L415-I418 HydrophobicContact CD2-CD1 4.08Å; L415-I418 HydrophobicContact CD2-CG1 4.42Å; I418-L420 HydrophobicContact CD1-CD1 3.84Å; I418-L420 HydrophobicContact CD1-CD2 3.96Å; I418-L420 HydrophobicContact CD1-CG 4Å; I418-L420 HydrophobicContact CG1-CD1 4.36Å; I418-L420 HydrophobicContact CG1-CD2 4.07Å; I418-L420 HydrophobicContact CG1-CG 4.03Å; I418-L434 HydrophobicContact CD1-CD1 4.06Å; I418-L434 HydrophobicContact CD1-CD2 3.54Å; I418-L434 HydrophobicContact CD1-CG 4.45Å; I418-L434 HydrophobicContact CG2-CD2 4.2Å; I418-L441 HydrophobicContact CB-CD1 4.29Å; I418-L441 HydrophobicContact CG2-CD1 3.92Å; I418-L441 HydrophobicContact CG2-CD2 4.2Å; I418-R443 PolarHBondContact N-O 3.19Å; I418-L444 HydrophobicContact CG2-CD1 3.51Å; I418-L444 WeakPolarHBondContact O-CA 3.37Å; I418-Y445 PolarHBondContact O-N 2.89Å
419	H	98.6	Very high	98	Very high	33 Å²	33	39 Å²	39	15%	0.153	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	116.5	177.3	-179.3	-55.3	0	0	0	110.4	Y369 V392 H393 V394 G421 Y445	Y369-H419 AromaticContact CE1-CE1 3.59Å; Y369-H419 AromaticContact CE1-CG 3.94Å; Y369-H419 AromaticContact CE1-ND1 3.58Å; Y369-H419 AromaticContact CE1-NE2 3.9Å; Y369-H419 PolarHBondContact OH-CD2 2.84Å; V392-H419 PolarHBondContact O-N 2.78Å; V392-H419 VanDerWaalsContact O-N 3.07Å; H393-H419 HydrophobicContact CB-CB 4.28Å; H393-H419 VanDerWaalsContact CD2-CB 3.49Å; H393-H419 WeakPolarHBondContact CD2-CB 3.35Å; V394-H419 PolarHBondContact N-O 2.89Å; H419-G421 PolarHBondContact ND1-N 2.97Å; H419-Y445 AromaticContact CD2-CD1 3.37Å; H419-Y445 WeakPolarHBondContact CD2-CD1 3.2Å; H419-Y445 AromaticContact CD2-CG 3.96Å; H419-Y445 AromaticContact CE1-CD1 3.71Å; H419-Y445 AromaticContact NE2-CD1 3.15Å; H419-Y445 WeakPolarHBondContact NE2-CD1 3.21Å; H419-Y445 AromaticContact NE2-CE1 3.48Å; H419-Y445 WeakPolarHBondContact NE2-CE1 3.22Å
420	L	97.8	Very high	98	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.191	C	C	.	.			trans	-124	18.5	-172	-60	176.4	0	0	0	113.1	V394 L400 L405 I418 Q422 C423 I426 M431 Y445 L446 N449	V394-L420 HydrophobicContact CG2-CD2 3.54Å; L400-L420 HydrophobicContact CD2-CD2 4.4Å; L405-L420 HydrophobicContact CD1-CD1 4.3Å; L405-L420 HydrophobicContact CD2-CD1 3.91Å; L405-L420 HydrophobicContact CG-CD1 4.27Å; I418-L420 HydrophobicContact CD1-CD1 3.84Å; I418-L420 HydrophobicContact CD1-CD2 3.96Å; I418-L420 HydrophobicContact CD1-CG 4Å; I418-L420 HydrophobicContact CG1-CD1 4.36Å; I418-L420 HydrophobicContact CG1-CD2 4.07Å; I418-L420 HydrophobicContact CG1-CG 4.03Å; L420-Q422 PolarHBondContact O-N 2.88Å; L420-C423 WeakPolarHBondContact O-CB 3.49Å; L420-C423 PolarHBondContact O-N 3.28Å; L420-I426 HydrophobicContact CB-CD1 3.97Å; L420-I426 HydrophobicContact CD1-CD1 3.88Å; L420-I426 HydrophobicContact CD2-CD1 4.03Å; L420-I426 HydrophobicContact CG-CD1 4.17Å; L420-M431 HydrophobicContact CD1-SD 3.95Å; L420-Y445 PolarHBondContact N-O 3.34Å; L420-L446 HydrophobicContact CB-CD2 3.76Å; L420-L446 HydrophobicContact CD1-CD2 4.38Å; L420-N449 PolarHBondContact O-ND2 2.93Å; L420-N449 PolarHBondContact O-OD1 2.88Å
421	G	97.1	Very high	98	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.01	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	134.1	-179	0	0	0	0	0	113.8	G395 N396 H419 C423	G395-G421 CarbonylContact C-O 3.49Å; G395-G421 WeakPolarHBondContact CA-O 3.25Å; N396-G421 PolarHBondContact N-O 2.78Å; H419-G421 PolarHBondContact ND1-N 2.97Å; G421-C423 PolarHBondContact O-N 2.63Å
422	Q	96.6	Very high	98.1	Very high	43 Å²	43	34.8 Å²	34.8	20%	0.201	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	30.6	179.3	-66.3	176.3	-38.8	0	0	114.1	N396 L420 Y424 Q447 E448	N396-Q422 WeakPolarHBondContact ND2-CB 3.39Å; N396-Q422 PolarHBondContact ND2-OE1 3.27Å; L420-Q422 PolarHBondContact O-N 2.88Å; Q422-Y424 HydrophobicContact CB-CE1 4.35Å; Q422-Y424 HydrophobicContact CB-CE2 4.42Å; Q422-Y424 HydrophobicContact CG-CE1 4.43Å; Q422-Q447 WeakPolarHBondContact CA-O 3.28Å; Q422-Q447 PolarHBondContact N-O 3.33Å; Q422-E448 HydrophobicContact CG-CB 4.12Å; Q422-E448 PolarHBondContact NE2-OE2 2.7Å
423	C	97.3	Very high	98.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.17	C	C	.	.			trans	-97.4	88.3	167.9	-61.6	0	0	0	0	109.2	V394 L400 L420 G421 G425 I426 N449	V394-C423 PolarHBondContact O-SG 3.33Å; L400-C423 HydrophobicContact CD2-CB 4.45Å; L420-C423 WeakPolarHBondContact O-CB 3.49Å; L420-C423 PolarHBondContact O-N 3.28Å; G421-C423 PolarHBondContact O-N 2.63Å; C423-G425 VanDerWaalsContact C-N 3.3Å; C423-G425 PolarHBondContact O-N 3.41Å; C423-I426 HydrophobicContact CB-CD1 3.64Å; C423-I426 HydrophobicContact CB-CG1 4.21Å; C423-I426 PolarHBondContact O-N 3.12Å; C423-N449 PolarHBondContact N-ND2 3.41Å; C423-N449 PolarHBondContact O-ND2 2.63Å
424	Y	96	Very high	98.2	Very high	99 Å²	99	27.6 Å²	27.6	39%	0.388	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-15.5	-167.1	-52.8	-66.7	0	0	0	115.1	Q422 I426 E448	Q422-Y424 HydrophobicContact CB-CE1 4.35Å; Q422-Y424 HydrophobicContact CB-CE2 4.42Å; Q422-Y424 HydrophobicContact CG-CE1 4.43Å; Y424-I426 VanDerWaalsContact C-N 3.34Å; Y424-E448 HydrophobicContact CE1-CB 4.27Å; Y424-E448 WeakPolarHBondContact CE1-O 3.18Å
425	G	97.3	Very high	98.2	Very high	31 Å²	31	24.6 Å²	24.6	32%	0.32	13%	0.126	S	C	.	.	B	Isolated β-bridge	trans	-83.6	-1.8	176.7	0	0	0	0	0	115.2	L400 C423	L400-G425 CarbonylContact O-C 3.55Å; L400-G425 WeakPolarHBondContact O-CA 2.96Å; C423-G425 VanDerWaalsContact C-N 3.3Å; C423-G425 PolarHBondContact O-N 3.41Å
426	I	98.3	Very high	98.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.			trans	-86.6	131.8	177	-65.3	174.2	0	0	0	110.2	L400 L405 L420 C423 Y424 M431 M451 V452	L400-I426 HydrophobicContact CD2-CD1 4.14Å; L405-I426 HydrophobicContact CD1-CD1 3.77Å; L405-I426 HydrophobicContact CD1-CG1 4.1Å; L405-I426 HydrophobicContact CD2-CD1 4.18Å; L405-I426 HydrophobicContact CD2-CG1 4.33Å; L405-I426 HydrophobicContact CD2-CG2 3.6Å; L420-I426 HydrophobicContact CB-CD1 3.97Å; L420-I426 HydrophobicContact CD1-CD1 3.88Å; L420-I426 HydrophobicContact CD2-CD1 4.03Å; L420-I426 HydrophobicContact CG-CD1 4.17Å; C423-I426 HydrophobicContact CB-CD1 3.64Å; C423-I426 HydrophobicContact CB-CG1 4.21Å; C423-I426 PolarHBondContact O-N 3.12Å; Y424-I426 VanDerWaalsContact C-N 3.34Å; I426-M431 HydrophobicContact CG2-CG 4.07Å; I426-M431 HydrophobicContact CG2-SD 4.23Å; I426-M451 WeakPolarHBondContact O-CB 3.39Å; I426-V452 HydrophobicContact CG2-CG2 4.07Å
427	T	98.7	Very high	98.1	Very high	38 Å²	38	28.7 Å²	28.7	23%	0.233	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-121.2	178.4	178	87.2	0	0	0	0	112	D402 E429 G430 M431 M451	D402-T427 PolarHBondContact OD1-N 3.47Å; D402-T427 PolarHBondContact OD2-OG1 2.84Å; T427-E429 PolarHBondContact O-N 3.45Å; T427-E429 PolarHBondContact OG1-N 2.97Å; T427-E429 VanDerWaalsContact OG1-N 3.15Å; T427-G430 PolarHBondContact O-N 3.13Å; T427-M431 PolarHBondContact O-N 3.01Å; T427-M451 WeakPolarHBondContact CA-O 3.48Å; T427-M451 HydrophobicContact CG2-CB 3.83Å; T427-M451 HydrophobicContact CG2-CG 4.45Å
428	D	98.7	Very high	98.1	Very high	24 Å²	24	27.3 Å²	27.3	13%	0.128	14%	0.138	C	C	.	.	H	α-helix	trans	-53.4	-31.6	171.8	-66.5	-47.5	0	0	0	113.3	G430 M431 M432 M451 T453 Q455 S456	D428-G430 PolarHBondContact O-N 3.12Å; D428-M431 PolarHBondContact O-N 3.16Å; D428-M432 HydrophobicContact CB-CE 4.25Å; D428-M432 WeakPolarHBondContact O-CB 3.38Å; D428-M432 WeakPolarHBondContact O-CE 3.37Å; D428-M432 VanDerWaalsContact O-CG 3.22Å; D428-M432 WeakPolarHBondContact O-CG 3.43Å; D428-M432 PolarHBondContact O-N 3.03Å; D428-M451 PolarHBondContact N-O 3.23Å; D428-T453 PolarHBondContact OD1-N 3.03Å; D428-T453 PolarHBondContact OD1-OG1 3.49Å; D428-T453 WeakPolarHBondContact OD2-CB 3.4Å; D428-T453 WeakPolarHBondContact OD2-CG2 3.43Å; D428-T453 PolarHBondContact OD2-OG1 3.16Å; D428-Q455 HydrophobicContact CB-CB 4.24Å; D428-S456 WeakPolarHBondContact CA-OG 3.39Å; D428-S456 VanDerWaalsContact OD1-CB 3.28Å; D428-S456 WeakPolarHBondContact OD1-CB 3.36Å; D428-S456 PolarHBondContact OD1-N 2.9Å; D428-S456 VanDerWaalsContact OD1-N 3.09Å; D428-S456 PolarHBondContact OD1-OG 2.91Å
429	E	98.7	Very high	98	Very high	92 Å²	92	30.4 Å²	30.4	43%	0.43	16%	0.158	S	C	.	.	H	α-helix	trans	-64.2	-40.7	179.5	-86	-67.5	127.8	0	0	113.4	K406 T427 M432 A433	K406-E429 WeakPolarHBondContact CE-O 3.12Å; K406-E429 IonicContact NZ-OE2 2.63Å; K406-E429 PolarHBondContact NZ-OE2 3.21Å; T427-E429 PolarHBondContact O-N 3.45Å; T427-E429 PolarHBondContact OG1-N 2.97Å; T427-E429 VanDerWaalsContact OG1-N 3.15Å; E429-M432 WeakPolarHBondContact OE1-CE 3.38Å; E429-A433 WeakPolarHBondContact O-CB 3.21Å; E429-A433 PolarHBondContact O-N 3.17Å
430	G	98.6	Very high	98	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-69.9	-45.3	174.3	0	0	0	0	0	111.3	D402 T427 D428 A433 L434	D402-G430 VanDerWaalsContact OD1-CA 3.25Å; D402-G430 WeakPolarHBondContact OD1-CA 3.4Å; D402-G430 PolarHBondContact OD1-N 3.08Å; T427-G430 PolarHBondContact O-N 3.13Å; D428-G430 PolarHBondContact O-N 3.12Å; G430-A433 PolarHBondContact O-N 3.16Å; G430-L434 WeakPolarHBondContact O-CB 3.29Å; G430-L434 PolarHBondContact O-N 3.14Å
431	M	98.7	Very high	98.1	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-63.1	-42.5	-179.6	-72.2	-55.5	-50.6	0	0	113	L405 L420 I426 T427 D428 A433 L434 A435 L444 L446 V452 S456 V460	L405-M431 HydrophobicContact CD2-CG 4.42Å; L405-M431 HydrophobicContact CD2-SD 3.8Å; L420-M431 HydrophobicContact CD1-SD 3.95Å; I426-M431 HydrophobicContact CG2-CG 4.07Å; I426-M431 HydrophobicContact CG2-SD 4.23Å; T427-M431 PolarHBondContact O-N 3.01Å; D428-M431 PolarHBondContact O-N 3.16Å; M431-A433 VanDerWaalsContact C-N 3.33Å; M431-A433 PolarHBondContact O-N 3.05Å; M431-L434 HydrophobicContact CE-CD2 4.3Å; M431-L434 PolarHBondContact O-N 3.23Å; M431-A435 WeakPolarHBondContact O-CB 3.45Å; M431-A435 PolarHBondContact O-N 3.42Å; M431-L444 HydrophobicContact CE-CD1 3.89Å; M431-L444 HydrophobicContact CE-CD2 3.89Å; M431-L446 HydrophobicContact CE-CD1 3.98Å; M431-L446 HydrophobicContact SD-CD1 4.2Å; M431-L446 HydrophobicContact SD-CD2 4.27Å; M431-V452 HydrophobicContact CG-CG1 4.38Å; M431-V452 HydrophobicContact CG-CG2 4.06Å; M431-S456 WeakPolarHBondContact CB-OG 3.36Å; M431-S456 WeakPolarHBondContact CG-OG 3.34Å; M431-V460 HydrophobicContact CE-CG2 4.07Å
432	M	98.7	Very high	98.1	Very high	34 Å²	34	34 Å²	34	17%	0.167	17%	0.174	C	C	.	.	H	α-helix	trans	-64.9	-35.7	174.9	-71.9	-173	-73.9	0	0	112.5	D428 E429 R436	D428-M432 HydrophobicContact CB-CE 4.25Å; D428-M432 WeakPolarHBondContact O-CB 3.38Å; D428-M432 WeakPolarHBondContact O-CE 3.37Å; D428-M432 VanDerWaalsContact O-CG 3.22Å; D428-M432 WeakPolarHBondContact O-CG 3.43Å; D428-M432 PolarHBondContact O-N 3.03Å; E429-M432 WeakPolarHBondContact OE1-CE 3.38Å; M432-R436 WeakPolarHBondContact O-CB 3.49Å; M432-R436 WeakPolarHBondContact O-CG 3.4Å; M432-R436 PolarHBondContact O-N 2.94Å; M432-R436 PolarHBondContact O-NE 3.39Å; M432-R436 VanDerWaalsContact O-NE 3.09Å
433	A	98.6	Very high	98.3	Very high	20 Å²	20	36.6 Å²	36.6	17%	0.165	18%	0.182	C	C	.	.	H	α-helix	trans	-69.3	-41	175.6	0	0	0	0	0	112	K406 E429 G430 M431 G437	K406-A433 HydrophobicContact CB-CB 4.28Å; K406-A433 HydrophobicContact CG-CB 3.43Å; K406-A433 VanDerWaalsContact CG-CB 3.43Å; E429-A433 WeakPolarHBondContact O-CB 3.21Å; E429-A433 PolarHBondContact O-N 3.17Å; G430-A433 PolarHBondContact O-N 3.16Å; M431-A433 VanDerWaalsContact C-N 3.33Å; M431-A433 PolarHBondContact O-N 3.05Å; A433-G437 PolarHBondContact O-N 3.1Å
434	L	98.6	Very high	98.3	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-49.7	174.5	-175.8	75	0	0	0	111.5	L405 L408 L415 I418 G430 M431 R436 G437 C438	L405-L434 HydrophobicContact CB-CB 4.44Å; L408-L434 HydrophobicContact CB-CD1 3.86Å; L415-L434 HydrophobicContact CD2-CD1 4.05Å; I418-L434 HydrophobicContact CD1-CD1 4.06Å; I418-L434 HydrophobicContact CD1-CD2 3.54Å; I418-L434 HydrophobicContact CD1-CG 4.45Å; I418-L434 HydrophobicContact CG2-CD2 4.2Å; G430-L434 WeakPolarHBondContact O-CB 3.29Å; G430-L434 PolarHBondContact O-N 3.14Å; M431-L434 HydrophobicContact CE-CD2 4.3Å; M431-L434 PolarHBondContact O-N 3.23Å; L434-R436 PolarHBondContact O-N 3.08Å; L434-G437 PolarHBondContact O-N 2.82Å; L434-C438 WeakPolarHBondContact O-CB 3.34Å; L434-C438 PolarHBondContact O-N 3.49Å
435	A	98.4	Very high	98.4	Very high	2 Å²	2	33.2 Å²	33.2	2%	0.017	17%	0.168	C	C	.	.	H	α-helix	trans	-59.4	-43.2	-178.5	0	0	0	0	0	112.5	M431 G437 V460 H463	M431-A435 WeakPolarHBondContact O-CB 3.45Å; M431-A435 PolarHBondContact O-N 3.42Å; A435-G437 VanDerWaalsContact C-N 3.28Å; A435-G437 PolarHBondContact O-N 3.16Å; A435-V460 HydrophobicContact CB-CG2 4Å; A435-H463 HydrophobicContact CB-CB 4.35Å; A435-H463 WeakPolarHBondContact O-CB 3.48Å
436	R	98.3	Very high	98.4	Very high	140 Å²	140	31.7 Å²	31.7	53%	0.528	15%	0.153	S	C	.	.	H	α-helix	trans	-67.7	-25.8	175.4	-73.6	-178.6	-68.9	-131.7	2.4	113.6	M432 L434	M432-R436 WeakPolarHBondContact O-CB 3.49Å; M432-R436 WeakPolarHBondContact O-CG 3.4Å; M432-R436 PolarHBondContact O-N 2.94Å; M432-R436 PolarHBondContact O-NE 3.39Å; M432-R436 VanDerWaalsContact O-NE 3.09Å; L434-R436 PolarHBondContact O-N 3.08Å
437	G	98.1	Very high	98.3	Very high	14 Å²	14	33.8 Å²	33.8	14%	0.144	16%	0.163	C	C	.	.	H	α-helix	trans	-90.5	-29.7	-176.8	0	0	0	0	0	115.3	G409 A433 L434 A435 P439	G409-G437 WeakPolarHBondContact O-CA 3.36Å; A433-G437 PolarHBondContact O-N 3.1Å; L434-G437 PolarHBondContact O-N 2.82Å; A435-G437 VanDerWaalsContact C-N 3.28Å; A435-G437 PolarHBondContact O-N 3.16Å; G437-P439 VanDerWaalsContact C-CD 3.44Å; G437-P439 VanDerWaalsContact O-CD 3.23Å; G437-P439 WeakPolarHBondContact O-CD 3.49Å
438	C	98.3	Very high	98.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.164	C	C	.	.			trans	-119.9	66.2	-170.5	-58.8	0	0	0	0	112	C412 L415 L434 K440 L441	C412-C438 PolarHBondContact O-SG 3.37Å; L415-C438 HydrophobicContact CB-CB 4.22Å; L434-C438 WeakPolarHBondContact O-CB 3.34Å; L434-C438 PolarHBondContact O-N 3.49Å; C438-K440 PolarHBondContact O-N 3.37Å; C438-K440 VanDerWaalsContact O-N 3.12Å; C438-L441 WeakPolarHBondContact O-CB 3.45Å; C438-L441 PolarHBondContact O-N 3.28Å; C438-L441 VanDerWaalsContact O-N 3.12Å
439	P	97.6	Very high	98.1	Very high	65 Å²	65	33.4 Å²	33.4	42%	0.422	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.1	-175.1	28.3	-36.6	0	0	0	114.1	G437 L441	G437-P439 VanDerWaalsContact C-CD 3.44Å; G437-P439 VanDerWaalsContact O-CD 3.23Å; G437-P439 WeakPolarHBondContact O-CD 3.49Å; P439-L441 PolarHBondContact O-N 2.96Å
440	K	98.4	Very high	97.9	Very high	62 Å²	62	34 Å²	34	27%	0.27	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	7.5	176	-69.4	175.3	172.4	176.6	0	113.5	E414 L415 C438 Q442	E414-K440 IonicContact OE1-NZ 3.37Å; E414-K440 PolarHBondContact OE1-NZ 3.5Å; E414-K440 WeakPolarHBondContact OE2-CD 3.11Å; E414-K440 IonicContact OE2-NZ 2.84Å; E414-K440 PolarHBondContact OE2-NZ 3.28Å; L415-K440 CarbonylContact O-C 3.58Å; C438-K440 PolarHBondContact O-N 3.37Å; C438-K440 VanDerWaalsContact O-N 3.12Å; K440-Q442 PolarHBondContact O-N 3.25Å
441	L	98.6	Very high	97.9	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.185	C	C	.	.			trans	-64	124	-178	-162.1	71.2	0	0	0	110.8	L415 I418 C438 P439 L444 C464 E466 L467	L415-L441 HydrophobicContact CD2-CD1 4.45Å; L415-L441 HydrophobicContact CG-CD1 4.35Å; L415-L441 PolarHBondContact O-N 3.31Å; I418-L441 HydrophobicContact CB-CD1 4.29Å; I418-L441 HydrophobicContact CG2-CD1 3.92Å; I418-L441 HydrophobicContact CG2-CD2 4.2Å; C438-L441 WeakPolarHBondContact O-CB 3.45Å; C438-L441 PolarHBondContact O-N 3.28Å; C438-L441 VanDerWaalsContact O-N 3.12Å; P439-L441 PolarHBondContact O-N 2.96Å; L441-L444 HydrophobicContact CD2-CB 4.11Å; L441-C464 HydrophobicContact CB-CB 4.19Å; L441-E466 CarbonylContact O-C 3.53Å; L441-L467 HydrophobicContact CB-CD2 4.37Å; L441-L467 HydrophobicContact CD2-CD2 4.23Å; L441-L467 HydrophobicContact CG-CD2 4.08Å; L441-L467 WeakPolarHBondContact O-CA 3.4Å; L441-L467 WeakPolarHBondContact O-CD2 3.33Å; L441-L467 WeakPolarHBondContact O-CG 3.23Å; L441-L467 PolarHBondContact O-N 3.45Å; L441-L467 VanDerWaalsContact O-N 3.17Å
442	Q	98.6	Very high	97.8	Very high	46 Å²	46	39.2 Å²	39.2	22%	0.215	18%	0.184	C	C	.	.			trans	-111.9	-27.1	-178.3	-71.6	173.5	-2	0	0	112.1	R416 K440 E466 Q468 F469	R416-Q442 HydrophobicContact CB-CB 4.42Å; R416-Q442 CarbonylContact O-C 3.56Å; R416-Q442 WeakPolarHBondContact O-CA 3.41Å; R416-Q442 PolarHBondContact O-N 2.96Å; K440-Q442 PolarHBondContact O-N 3.25Å; Q442-E466 HydrophobicContact CG-CB 3.98Å; Q442-E466 PolarHBondContact NE2-OE2 3.09Å; Q442-Q468 PolarHBondContact O-N 3.46Å; Q442-F469 PolarHBondContact O-N 3.48Å
443	R	98.9	Very high	97.8	Very high	99 Å²	99	39.7 Å²	39.7	37%	0.374	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	125	179	-49	-177.2	63.4	87.6	-0.3	110.5	R416 D417 I418 F469	R416-R443 PolarHBondContact O-N 2.97Å; D417-R443 HydrophobicContact CB-CB 4.17Å; D417-R443 HydrophobicContact CB-CG 4.5Å; D417-R443 WeakPolarHBondContact OD1-CB 3.49Å; I418-R443 PolarHBondContact N-O 3.19Å; R443-F469 WeakPolarHBondContact CA-O 3.46Å; R443-F469 HydrophobicContact CB-CB 4.08Å; R443-F469 HydrophobicContact CB-CD1 4.45Å; R443-F469 HydrophobicContact CG-CB 3.95Å
444	L	98.7	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	124.2	171.8	173	61	0	0	0	109.1	I418 M431 L441 L446 V460 L467 F469 V470 G471 F472	I418-L444 HydrophobicContact CG2-CD1 3.51Å; I418-L444 WeakPolarHBondContact O-CA 3.37Å; M431-L444 HydrophobicContact CE-CD1 3.89Å; M431-L444 HydrophobicContact CE-CD2 3.89Å; L441-L444 HydrophobicContact CD2-CB 4.11Å; L444-L446 HydrophobicContact CD1-CD1 3.98Å; L444-L446 HydrophobicContact CD1-CG 4.22Å; L444-L446 HydrophobicContact CD2-CD1 4.15Å; L444-L446 HydrophobicContact CG-CD1 4.16Å; L444-V460 HydrophobicContact CD2-CB 4.5Å; L444-V460 HydrophobicContact CD2-CG1 3.79Å; L444-V460 HydrophobicContact CD2-CG2 3.95Å; L444-L467 HydrophobicContact CB-CD2 4.24Å; L444-F469 PolarHBondContact N-O 3.49Å; L444-V470 CarbonylContact O-C 3.17Å; L444-V470 WeakPolarHBondContact O-CA 3.4Å; L444-G471 PolarHBondContact O-N 3.07Å; L444-F472 HydrophobicContact CD2-CE1 4.34Å; L444-F472 HydrophobicContact CD2-CZ 4.2Å
445	Y	98.4	Very high	97.8	Very high	27 Å²	27	44.3 Å²	44.3	11%	0.106	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	123.8	170.8	-170.9	-96	0	0	0	112.5	I418 H419 L420 Q447 F469 R497	I418-Y445 PolarHBondContact O-N 2.89Å; H419-Y445 AromaticContact CD2-CD1 3.37Å; H419-Y445 WeakPolarHBondContact CD2-CD1 3.2Å; H419-Y445 AromaticContact CD2-CG 3.96Å; H419-Y445 AromaticContact CE1-CD1 3.71Å; H419-Y445 AromaticContact NE2-CD1 3.15Å; H419-Y445 WeakPolarHBondContact NE2-CD1 3.21Å; H419-Y445 AromaticContact NE2-CE1 3.48Å; H419-Y445 WeakPolarHBondContact NE2-CE1 3.22Å; L420-Y445 PolarHBondContact N-O 3.34Å; Y445-Q447 HydrophobicContact CD1-CB 4.48Å; Y445-Q447 HydrophobicContact CE1-CB 3.67Å; Y445-Q447 PolarHBondContact OH-OE1 2.98Å; Y445-F469 AromaticContact CD2-CE1 3.8Å; Y445-F469 HydrophobicContact CD2-CE1 3.8Å; Y445-F469 HydrophobicContact CD2-CZ 4.15Å; Y445-F469 HydrophobicContact CG-CE1 4.35Å; Y445-R497 PolarHBondContact OH-NH2 2.93Å; Y445-R497 VanDerWaalsContact OH-NH2 3.09Å
446	L	97.4	Very high	97.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	142.3	174.1	-71.3	149.3	0	0	0	108.4	L420 M431 L444 N449 V452 G471 F472 M473	L420-L446 HydrophobicContact CB-CD2 3.76Å; L420-L446 HydrophobicContact CD1-CD2 4.38Å; M431-L446 HydrophobicContact CE-CD1 3.98Å; M431-L446 HydrophobicContact SD-CD1 4.2Å; M431-L446 HydrophobicContact SD-CD2 4.27Å; L444-L446 HydrophobicContact CD1-CD1 3.98Å; L444-L446 HydrophobicContact CD1-CG 4.22Å; L444-L446 HydrophobicContact CD2-CD1 4.15Å; L444-L446 HydrophobicContact CG-CD1 4.16Å; L446-N449 HydrophobicContact CD2-CB 4.07Å; L446-N449 VanDerWaalsContact CD2-CG 3.49Å; L446-N449 WeakPolarHBondContact CD2-OD1 3.43Å; L446-V452 HydrophobicContact CD1-CG1 4.1Å; L446-G471 PolarHBondContact N-O 3.2Å; L446-F472 HydrophobicContact CB-CD1 4.29Å; L446-F472 HydrophobicContact CD1-CD1 3.75Å; L446-F472 HydrophobicContact CD1-CE1 3.52Å; L446-F472 CarbonylContact O-C 3.47Å; L446-M473 PolarHBondContact O-N 3.43Å; L446-M473 VanDerWaalsContact O-N 3.16Å
447	Q	95.8	Very high	97.8	Very high	43 Å²	43	37.6 Å²	37.6	20%	0.201	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	120.8	-179.6	177.6	174.8	-21.3	0	0	109	Q422 Y445 N449 M473	Q422-Q447 WeakPolarHBondContact CA-O 3.28Å; Q422-Q447 PolarHBondContact N-O 3.33Å; Y445-Q447 HydrophobicContact CD1-CB 4.48Å; Y445-Q447 HydrophobicContact CE1-CB 3.67Å; Y445-Q447 PolarHBondContact OH-OE1 2.98Å; Q447-N449 PolarHBondContact N-OD1 3.15Å; Q447-N449 PolarHBondContact O-N 3.11Å; Q447-N449 VanDerWaalsContact O-N 3.11Å; Q447-N449 PolarHBondContact O-OD1 2.98Å; Q447-N449 VanDerWaalsContact O-OD1 3.11Å; Q447-M473 CarbonylContact C-O 3.45Å; Q447-M473 VanDerWaalsContact CA-O 3.25Å; Q447-M473 WeakPolarHBondContact CA-O 3.34Å; Q447-M473 HydrophobicContact CB-CB 4.46Å; Q447-M473 HydrophobicContact CG-CB 4.27Å; Q447-M473 HydrophobicContact CG-CG 4.14Å; Q447-M473 HydrophobicContact CG-SD 4.01Å
448	E	95.5	Very high	97.8	Very high	55 Å²	55	40.6 Å²	40.6	26%	0.257	19%	0.189	S	C	.	.	S	Bend	trans	57.3	19.8	179.4	-60.5	175.9	-177.8	0	0	115.5	Q422 Y424 K450 M473	Q422-E448 HydrophobicContact CG-CB 4.12Å; Q422-E448 PolarHBondContact NE2-OE2 2.7Å; Y424-E448 HydrophobicContact CE1-CB 4.27Å; Y424-E448 WeakPolarHBondContact CE1-O 3.18Å; E448-K450 WeakPolarHBondContact O-CD 3.47Å; E448-K450 WeakPolarHBondContact O-CE 3.49Å; E448-K450 WeakPolarHBondContact O-CG 3.5Å; E448-K450 PolarHBondContact O-N 3.25Å; E448-M473 PolarHBondContact N-O 3.48Å
449	N	97	Very high	97.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.191	C	C	.	.			trans	-71.5	93.5	175.2	-59.8	85.9	0	0	0	109.7	L420 C423 L446 Q447 M451 V452 P476	L420-N449 PolarHBondContact O-ND2 2.93Å; L420-N449 PolarHBondContact O-OD1 2.88Å; C423-N449 PolarHBondContact N-ND2 3.41Å; C423-N449 PolarHBondContact O-ND2 2.63Å; L446-N449 HydrophobicContact CD2-CB 4.07Å; L446-N449 VanDerWaalsContact CD2-CG 3.49Å; L446-N449 WeakPolarHBondContact CD2-OD1 3.43Å; Q447-N449 PolarHBondContact N-OD1 3.15Å; Q447-N449 PolarHBondContact O-N 3.11Å; Q447-N449 VanDerWaalsContact O-N 3.11Å; Q447-N449 PolarHBondContact O-OD1 2.98Å; Q447-N449 VanDerWaalsContact O-OD1 3.11Å; N449-M451 PolarHBondContact O-N 3.5Å; N449-M451 VanDerWaalsContact O-N 3.15Å; N449-V452 HydrophobicContact CB-CB 4.13Å; N449-V452 HydrophobicContact CB-CG2 3.86Å; N449-V452 PolarHBondContact O-N 2.89Å; N449-P476 WeakPolarHBondContact O-CD 3.24Å
450	K	95.1	Very high	97.9	Very high	105 Å²	105	37.8 Å²	37.8	46%	0.457	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-5.3	-167.3	-56.1	-52.7	176.8	-179.3	0	116.2	E448 G474 P476	E448-K450 WeakPolarHBondContact O-CD 3.47Å; E448-K450 WeakPolarHBondContact O-CE 3.49Å; E448-K450 WeakPolarHBondContact O-CG 3.5Å; E448-K450 PolarHBondContact O-N 3.25Å; K450-G474 PolarHBondContact NZ-O 2.88Å; K450-P476 WeakPolarHBondContact O-CG 3.49Å
451	M	97.7	Very high	97.8	Very high	109 Å²	109	35.2 Å²	35.2	54%	0.537	16%	0.162	S	C	.	.	B	Isolated β-bridge	trans	-113.7	11.4	177.9	-58.1	-62	-64.8	0	0	112.7	I426 T427 D428 N449	I426-M451 WeakPolarHBondContact O-CB 3.39Å; T427-M451 WeakPolarHBondContact CA-O 3.48Å; T427-M451 HydrophobicContact CG2-CB 3.83Å; T427-M451 HydrophobicContact CG2-CG 4.45Å; D428-M451 PolarHBondContact N-O 3.23Å; N449-M451 PolarHBondContact O-N 3.5Å; N449-M451 VanDerWaalsContact O-N 3.15Å
452	V	98.1	Very high	97.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.187	C	C	.	.			trans	-106	116.3	178.5	172.1	0	0	0	0	108.9	I426 M431 L446 N449 P476	I426-V452 HydrophobicContact CG2-CG2 4.07Å; M431-V452 HydrophobicContact CG-CG1 4.38Å; M431-V452 HydrophobicContact CG-CG2 4.06Å; L446-V452 HydrophobicContact CD1-CG1 4.1Å; N449-V452 HydrophobicContact CB-CB 4.13Å; N449-V452 HydrophobicContact CB-CG2 3.86Å; N449-V452 PolarHBondContact O-N 2.89Å; V452-P476 VanDerWaalsContact O-CD 3.26Å; V452-P476 WeakPolarHBondContact O-CD 3.48Å; V452-P476 WeakPolarHBondContact O-CG 3.35Å
453	T	98.1	Very high	97.8	Very high	45 Å²	45	41.8 Å²	41.8	28%	0.276	19%	0.192	S	C	.	.			trans	-121.1	-171.1	-169.3	79.3	0	0	0	0	112	D428 Q455 S456 V457 P476	D428-T453 PolarHBondContact OD1-N 3.03Å; D428-T453 PolarHBondContact OD1-OG1 3.49Å; D428-T453 WeakPolarHBondContact OD2-CB 3.4Å; D428-T453 WeakPolarHBondContact OD2-CG2 3.43Å; D428-T453 PolarHBondContact OD2-OG1 3.16Å; T453-Q455 PolarHBondContact O-N 3.24Å; T453-Q455 VanDerWaalsContact O-N 3.09Å; T453-Q455 PolarHBondContact OG1-N 3.41Å; T453-S456 WeakPolarHBondContact O-CB 3.25Å; T453-S456 PolarHBondContact O-N 3.23Å; T453-S456 VanDerWaalsContact O-N 3.09Å; T453-V457 PolarHBondContact O-N 2.84Å; T453-P476 HydrophobicContact CG2-CG 4.38Å
454	D	98.3	Very high	97.8	Very high	26 Å²	26	37 Å²	37	14%	0.139	17%	0.174	C	C	.	.	H	α-helix	trans	-53.3	-25.4	174.6	-64.4	-25.5	0	0	0	114.1	V457 R458 V477 T478 G481	D454-V457 PolarHBondContact O-N 3.3Å; D454-R458 WeakPolarHBondContact O-CB 3.24Å; D454-R458 PolarHBondContact O-N 3.11Å; D454-V477 WeakPolarHBondContact OD1-CA 3.15Å; D454-T478 PolarHBondContact OD1-N 3Å; D454-T478 PolarHBondContact OD2-OG1 2.89Å; D454-G481 VanDerWaalsContact CG-CA 3.48Å; D454-G481 WeakPolarHBondContact OD1-CA 3.29Å; D454-G481 PolarHBondContact OD1-N 3.13Å
455	Q	98.4	Very high	97.7	Very high	92 Å²	92	40.9 Å²	40.9	43%	0.43	20%	0.199	S	C	.	.	H	α-helix	trans	-66.5	-42.9	176.1	-61.4	-59.2	-31.2	0	0	111.9	D428 T453 R458 S459	D428-Q455 HydrophobicContact CB-CB 4.24Å; T453-Q455 PolarHBondContact O-N 3.24Å; T453-Q455 VanDerWaalsContact O-N 3.09Å; T453-Q455 PolarHBondContact OG1-N 3.41Å; Q455-R458 PolarHBondContact O-N 3.44Å; Q455-S459 WeakPolarHBondContact O-CB 3.48Å; Q455-S459 PolarHBondContact O-N 2.83Å
456	S	98.4	Very high	97.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.7	-47.6	170.9	-71.2	0	0	0	0	111.6	D428 M431 T453 R458 S459 V460	D428-S456 WeakPolarHBondContact CA-OG 3.39Å; D428-S456 VanDerWaalsContact OD1-CB 3.28Å; D428-S456 WeakPolarHBondContact OD1-CB 3.36Å; D428-S456 PolarHBondContact OD1-N 2.9Å; D428-S456 VanDerWaalsContact OD1-N 3.09Å; D428-S456 PolarHBondContact OD1-OG 2.91Å; M431-S456 WeakPolarHBondContact CB-OG 3.36Å; M431-S456 WeakPolarHBondContact CG-OG 3.34Å; T453-S456 WeakPolarHBondContact O-CB 3.25Å; T453-S456 PolarHBondContact O-N 3.23Å; T453-S456 VanDerWaalsContact O-N 3.09Å; S456-R458 VanDerWaalsContact C-N 3.33Å; S456-R458 PolarHBondContact O-N 3.4Å; S456-S459 PolarHBondContact O-N 3.09Å; S456-V460 VanDerWaalsContact O-CB 3.28Å; S456-V460 WeakPolarHBondContact O-CB 3.45Å; S456-V460 WeakPolarHBondContact O-CG2 3.3Å; S456-V460 PolarHBondContact O-N 2.91Å
457	V	98.3	Very high	97.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-44.5	-177.1	-170.7	0	0	0	0	111	T453 D454 A461 F472 V477 G481 L485	T453-V457 PolarHBondContact O-N 2.84Å; D454-V457 PolarHBondContact O-N 3.3Å; V457-A461 WeakPolarHBondContact O-CB 3.27Å; V457-A461 PolarHBondContact O-N 3.38Å; V457-F472 HydrophobicContact CB-CE2 4.38Å; V457-F472 HydrophobicContact CB-CZ 4.26Å; V457-F472 HydrophobicContact CG1-CE2 3.88Å; V457-F472 HydrophobicContact CG1-CZ 4.18Å; V457-F472 HydrophobicContact CG2-CD1 4.4Å; V457-F472 HydrophobicContact CG2-CD2 4.3Å; V457-F472 HydrophobicContact CG2-CE1 4Å; V457-F472 HydrophobicContact CG2-CE2 3.87Å; V457-F472 HydrophobicContact CG2-CZ 3.73Å; V457-V477 HydrophobicContact CG2-CB 4.36Å; V457-V477 HydrophobicContact CG2-CG1 3.81Å; V457-V477 HydrophobicContact CG2-CG2 3.56Å; V457-G481 VanDerWaalsContact CG1-O 3.24Å; V457-G481 WeakPolarHBondContact CG1-O 3.27Å; V457-L485 HydrophobicContact CG1-CD1 4.2Å; V457-L485 HydrophobicContact CG1-CD2 3.81Å; V457-L485 HydrophobicContact CG1-CG 3.81Å
458	R	98.6	Very high	97.8	Very high	77 Å²	77	44.4 Å²	44.4	29%	0.291	22%	0.217	S	C	.	.	H	α-helix	trans	-60	-53.9	174.7	179.6	-179.9	-59.6	159.7	2.7	111.9	D454 Q455 S456 V460 A461 E462 H484	D454-R458 WeakPolarHBondContact O-CB 3.24Å; D454-R458 PolarHBondContact O-N 3.11Å; Q455-R458 PolarHBondContact O-N 3.44Å; S456-R458 VanDerWaalsContact C-N 3.33Å; S456-R458 PolarHBondContact O-N 3.4Å; R458-V460 VanDerWaalsContact C-N 3.3Å; R458-V460 PolarHBondContact O-N 2.98Å; R458-A461 PolarHBondContact O-N 3.1Å; R458-A461 VanDerWaalsContact O-N 3.13Å; R458-E462 WeakPolarHBondContact CD-OE1 3.36Å; R458-E462 HydrophobicContact CG-CG 4.37Å; R458-E462 WeakPolarHBondContact CG-OE1 3.31Å; R458-E462 WeakPolarHBondContact O-CG 3.3Å; R458-E462 PolarHBondContact O-N 3.42Å; R458-H484 PolarHBondContact NE-NE2 3.02Å
459	S	98.5	Very high	98	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.042	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-39.7	-177.2	-176.9	0	0	0	0	112.1	Q455 S456 E462 H463	Q455-S459 WeakPolarHBondContact O-CB 3.48Å; Q455-S459 PolarHBondContact O-N 2.83Å; S456-S459 PolarHBondContact O-N 3.09Å; S459-E462 PolarHBondContact O-N 3.33Å; S459-H463 WeakPolarHBondContact O-CB 3.47Å; S459-H463 PolarHBondContact O-N 2.98Å; S459-H463 VanDerWaalsContact O-N 3.08Å; S459-H463 PolarHBondContact O-ND1 2.75Å
460	V	98.3	Very high	98	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-45.6	174.1	169.1	0	0	0	0	111.2	M431 A435 L444 S456 R458 E462 H463 C464 L467	M431-V460 HydrophobicContact CE-CG2 4.07Å; A435-V460 HydrophobicContact CB-CG2 4Å; L444-V460 HydrophobicContact CD2-CB 4.5Å; L444-V460 HydrophobicContact CD2-CG1 3.79Å; L444-V460 HydrophobicContact CD2-CG2 3.95Å; S456-V460 VanDerWaalsContact O-CB 3.28Å; S456-V460 WeakPolarHBondContact O-CB 3.45Å; S456-V460 WeakPolarHBondContact O-CG2 3.3Å; S456-V460 PolarHBondContact O-N 2.91Å; R458-V460 VanDerWaalsContact C-N 3.3Å; R458-V460 PolarHBondContact O-N 2.98Å; V460-E462 VanDerWaalsContact C-N 3.33Å; V460-E462 PolarHBondContact O-N 3.29Å; V460-H463 PolarHBondContact O-N 2.9Å; V460-C464 WeakPolarHBondContact O-CB 3.27Å; V460-C464 PolarHBondContact O-N 2.97Å; V460-L467 HydrophobicContact CG1-CD1 3.32Å
461	A	97.9	Very high	98.2	Very high	7 Å²	7	38.5 Å²	38.5	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-65.1	-34.4	178.1	0	0	0	0	0	113.5	V457 R458 H484 L485 L488	V457-A461 WeakPolarHBondContact O-CB 3.27Å; V457-A461 PolarHBondContact O-N 3.38Å; R458-A461 PolarHBondContact O-N 3.1Å; R458-A461 VanDerWaalsContact O-N 3.13Å; A461-H484 HydrophobicContact CB-CB 4.01Å; A461-H484 WeakPolarHBondContact CB-O 3.36Å; A461-L485 HydrophobicContact CB-CD2 4.47Å; A461-L488 HydrophobicContact CB-CG 4.48Å
462	E	97.8	Very high	98.1	Very high	116 Å²	116	33.3 Å²	33.3	54%	0.542	16%	0.164	S	C	.	.	H	α-helix	trans	-73.7	-36.7	178.6	-73.8	168.1	177.2	0	0	113.3	R458 S459 V460	R458-E462 WeakPolarHBondContact CD-OE1 3.36Å; R458-E462 HydrophobicContact CG-CG 4.37Å; R458-E462 WeakPolarHBondContact CG-OE1 3.31Å; R458-E462 WeakPolarHBondContact O-CG 3.3Å; R458-E462 PolarHBondContact O-N 3.42Å; S459-E462 PolarHBondContact O-N 3.33Å; V460-E462 VanDerWaalsContact C-N 3.33Å; V460-E462 PolarHBondContact O-N 3.29Å
463	H	98.3	Very high	98	Very high	69 Å²	69	34.6 Å²	34.6	32%	0.319	17%	0.171	S	C	.	.	H	α-helix	trans	-108.1	-14.7	-167.9	-59.8	79.5	0	0	0	114.7	A435 S459 V460 P465	A435-H463 HydrophobicContact CB-CB 4.35Å; A435-H463 WeakPolarHBondContact O-CB 3.48Å; S459-H463 WeakPolarHBondContact O-CB 3.47Å; S459-H463 PolarHBondContact O-N 2.98Å; S459-H463 VanDerWaalsContact O-N 3.08Å; S459-H463 PolarHBondContact O-ND1 2.75Å; V460-H463 PolarHBondContact O-N 2.9Å; H463-P465 VanDerWaalsContact C-CD 3.44Å; H463-P465 VanDerWaalsContact O-CD 3.27Å; H463-P465 WeakPolarHBondContact O-CD 3.47Å
464	C	98.2	Very high	97.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.16	C	C	.	.			trans	-119.3	68.5	-176	-59.7	0	0	0	0	112.8	L441 V460 E466 L467 L488	L441-C464 HydrophobicContact CB-CB 4.19Å; V460-C464 WeakPolarHBondContact O-CB 3.27Å; V460-C464 PolarHBondContact O-N 2.97Å; C464-E466 PolarHBondContact O-N 2.81Å; C464-L467 HydrophobicContact CB-CD1 3.61Å; C464-L467 HydrophobicContact CB-CG 3.81Å; C464-L467 WeakPolarHBondContact O-CB 3.44Å; C464-L467 WeakPolarHBondContact O-CG 3.35Å; C464-L467 PolarHBondContact O-N 2.92Å; C464-L488 WeakPolarHBondContact O-CD2 3.27Å
465	P	97.1	Very high	97.6	Very high	80 Å²	80	31.5 Å²	31.5	52%	0.519	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-12.7	-175.5	30.4	-37.3	0	0	0	114.7	H463 L467 N490	H463-P465 VanDerWaalsContact C-CD 3.44Å; H463-P465 VanDerWaalsContact O-CD 3.27Å; H463-P465 WeakPolarHBondContact O-CD 3.47Å; P465-L467 VanDerWaalsContact C-N 3.26Å; P465-L467 PolarHBondContact O-N 3.39Å; P465-N490 PolarHBondContact O-ND2 3.49Å
466	E	97.9	Very high	97.5	Very high	66 Å²	66	29.3 Å²	29.3	31%	0.308	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-4	173.3	-77.8	-166.5	-141.9	0	0	113.7	R416 L441 Q442 C464 Q468	R416-E466 IonicContact NH1-OE2 3.16Å; R416-E466 PolarHBondContact NH1-OE2 2.75Å; L441-E466 CarbonylContact O-C 3.53Å; Q442-E466 HydrophobicContact CG-CB 3.98Å; Q442-E466 PolarHBondContact NE2-OE2 3.09Å; C464-E466 PolarHBondContact O-N 2.81Å; E466-Q468 PolarHBondContact O-N 2.88Å
467	L	98.4	Very high	97.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.			trans	-59.3	128.5	-175.8	-81.8	170.6	0	0	0	113.7	L441 L444 V460 C464 P465 V470 L488 N490 L491	L441-L467 HydrophobicContact CB-CD2 4.37Å; L441-L467 HydrophobicContact CD2-CD2 4.23Å; L441-L467 HydrophobicContact CG-CD2 4.08Å; L441-L467 WeakPolarHBondContact O-CA 3.4Å; L441-L467 WeakPolarHBondContact O-CD2 3.33Å; L441-L467 WeakPolarHBondContact O-CG 3.23Å; L441-L467 PolarHBondContact O-N 3.45Å; L441-L467 VanDerWaalsContact O-N 3.17Å; L444-L467 HydrophobicContact CB-CD2 4.24Å; V460-L467 HydrophobicContact CG1-CD1 3.32Å; C464-L467 HydrophobicContact CB-CD1 3.61Å; C464-L467 HydrophobicContact CB-CG 3.81Å; C464-L467 WeakPolarHBondContact O-CB 3.44Å; C464-L467 WeakPolarHBondContact O-CG 3.35Å; C464-L467 PolarHBondContact O-N 2.92Å; P465-L467 VanDerWaalsContact C-N 3.26Å; P465-L467 PolarHBondContact O-N 3.39Å; L467-V470 HydrophobicContact CB-CG2 4.22Å; L467-V470 HydrophobicContact CD1-CG2 4.06Å; L467-V470 HydrophobicContact CD2-CG2 4.13Å; L467-V470 HydrophobicContact CG-CG2 4.38Å; L467-L488 HydrophobicContact CB-CD1 3.93Å; L467-L488 HydrophobicContact CB-CD2 4.2Å; L467-L488 HydrophobicContact CD1-CD1 3.92Å; L467-L488 HydrophobicContact CD1-CD2 4.43Å; L467-N490 CarbonylContact O-C 3.39Å; L467-N490 WeakPolarHBondContact O-CB 3.48Å; L467-L491 PolarHBondContact O-N 2.97Å
468	Q	98.3	Very high	97.4	Very high	79 Å²	79	30.6 Å²	30.6	37%	0.369	16%	0.156	S	C	.	.			trans	-118.1	-37.7	178.9	-67.3	168.2	31	0	0	111.3	Q442 E466 N490 S492 V493	Q442-Q468 PolarHBondContact O-N 3.46Å; E466-Q468 PolarHBondContact O-N 2.88Å; Q468-N490 WeakPolarHBondContact CA-O 3.49Å; Q468-N490 HydrophobicContact CG-CB 4.35Å; Q468-S492 WeakPolarHBondContact O-CA 3.09Å; Q468-S492 PolarHBondContact O-N 3.36Å; Q468-S492 PolarHBondContact O-OG 3.07Å; Q468-V493 PolarHBondContact O-N 3.27Å
469	F	98.7	Very high	97.3	Very high	35 Å²	35	27.3 Å²	27.3	15%	0.154	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.5	-179.9	-178.5	-77.4	0	0	0	109.9	Q442 R443 L444 Y445 V493	Q442-F469 PolarHBondContact O-N 3.48Å; R443-F469 WeakPolarHBondContact CA-O 3.46Å; R443-F469 HydrophobicContact CB-CB 4.08Å; R443-F469 HydrophobicContact CB-CD1 4.45Å; R443-F469 HydrophobicContact CG-CB 3.95Å; L444-F469 PolarHBondContact N-O 3.49Å; Y445-F469 AromaticContact CD2-CE1 3.8Å; Y445-F469 HydrophobicContact CD2-CE1 3.8Å; Y445-F469 HydrophobicContact CD2-CZ 4.15Å; Y445-F469 HydrophobicContact CG-CE1 4.35Å; F469-V493 WeakPolarHBondContact CA-O 3.41Å; F469-V493 HydrophobicContact CB-CB 4.42Å; F469-V493 HydrophobicContact CD2-CB 3.46Å; F469-V493 VanDerWaalsContact CD2-CB 3.46Å; F469-V493 HydrophobicContact CD2-CG1 3.46Å; F469-V493 VanDerWaalsContact CD2-CG1 3.46Å; F469-V493 HydrophobicContact CD2-CG2 3.97Å; F469-V493 HydrophobicContact CE2-CB 4.04Å; F469-V493 HydrophobicContact CE2-CG1 3.47Å; F469-V493 VanDerWaalsContact CE2-CG1 3.47Å; F469-V493 HydrophobicContact CG-CB 4.21Å; F469-V493 HydrophobicContact CG-CG1 4.44Å; F469-V493 HydrophobicContact CZ-CG1 4.46Å
470	V	98.4	Very high	97.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	127.1	179.1	177.4	0	0	0	0	109.7	L444 L467 F472 L485 L488 L491 V493 L494 D495	L444-V470 CarbonylContact O-C 3.17Å; L444-V470 WeakPolarHBondContact O-CA 3.4Å; L467-V470 HydrophobicContact CB-CG2 4.22Å; L467-V470 HydrophobicContact CD1-CG2 4.06Å; L467-V470 HydrophobicContact CD2-CG2 4.13Å; L467-V470 HydrophobicContact CG-CG2 4.38Å; V470-F472 HydrophobicContact CG1-CD2 3.75Å; V470-F472 HydrophobicContact CG1-CE2 3.21Å; V470-F472 HydrophobicContact CG1-CZ 3.91Å; V470-L485 HydrophobicContact CG1-CD1 4.38Å; V470-L485 HydrophobicContact CG1-CD2 4.23Å; V470-L488 HydrophobicContact CG2-CD1 4.36Å; V470-L491 HydrophobicContact CB-CD1 3.92Å; V470-L491 HydrophobicContact CG2-CD1 3.63Å; V470-V493 PolarHBondContact N-O 3.04Å; V470-L494 HydrophobicContact CB-CD1 4.33Å; V470-L494 HydrophobicContact CG1-CD1 4.38Å; V470-L494 WeakPolarHBondContact O-CA 3.18Å; V470-D495 PolarHBondContact O-N 2.9Å
471	G	97.7	Very high	97.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	134.2	174.1	0	0	0	0	0	113.1	L444 L446 D495	L444-G471 PolarHBondContact O-N 3.07Å; L446-G471 PolarHBondContact N-O 3.2Å; G471-D495 WeakPolarHBondContact CA-O 3.47Å
472	F	96.9	Very high	97.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	27.6	179.8	-67.5	-70.6	0	0	0	112.6	L444 L446 V457 V470 G474 C475 V477 L485 D495 I499	L444-F472 HydrophobicContact CD2-CE1 4.34Å; L444-F472 HydrophobicContact CD2-CZ 4.2Å; L446-F472 HydrophobicContact CB-CD1 4.29Å; L446-F472 HydrophobicContact CD1-CD1 3.75Å; L446-F472 HydrophobicContact CD1-CE1 3.52Å; L446-F472 CarbonylContact O-C 3.47Å; V457-F472 HydrophobicContact CB-CE2 4.38Å; V457-F472 HydrophobicContact CB-CZ 4.26Å; V457-F472 HydrophobicContact CG1-CE2 3.88Å; V457-F472 HydrophobicContact CG1-CZ 4.18Å; V457-F472 HydrophobicContact CG2-CD1 4.4Å; V457-F472 HydrophobicContact CG2-CD2 4.3Å; V457-F472 HydrophobicContact CG2-CE1 4Å; V457-F472 HydrophobicContact CG2-CE2 3.87Å; V457-F472 HydrophobicContact CG2-CZ 3.73Å; V470-F472 HydrophobicContact CG1-CD2 3.75Å; V470-F472 HydrophobicContact CG1-CE2 3.21Å; V470-F472 HydrophobicContact CG1-CZ 3.91Å; F472-G474 PolarHBondContact O-N 3.2Å; F472-C475 HydrophobicContact CB-CB 4.43Å; F472-C475 VanDerWaalsContact O-CB 3.29Å; F472-C475 WeakPolarHBondContact O-CB 3.48Å; F472-C475 PolarHBondContact O-N 3.24Å; F472-C475 PolarHBondContact O-SG 3.47Å; F472-C475 VanDerWaalsContact O-SG 3.38Å; F472-V477 HydrophobicContact CB-CG2 4.28Å; F472-V477 HydrophobicContact CD1-CG2 4.29Å; F472-V477 HydrophobicContact CG-CG2 4.29Å; F472-L485 HydrophobicContact CE2-CD1 4.37Å; F472-L485 HydrophobicContact CE2-CD2 4.46Å; F472-D495 PolarHBondContact N-O 3.12Å; F472-I499 HydrophobicContact CB-CD1 4.33Å; F472-I499 VanDerWaalsContact O-CD1 3.32Å; F472-I499 WeakPolarHBondContact O-CD1 3.17Å
473	M	95.2	Very high	97.3	Very high	27 Å²	27	29.7 Å²	29.7	13%	0.133	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-46.7	120.4	-171.2	172.3	178.9	176.4	0	0	112.6	L446 Q447 E448 C475 R497	L446-M473 PolarHBondContact O-N 3.43Å; L446-M473 VanDerWaalsContact O-N 3.16Å; Q447-M473 CarbonylContact C-O 3.45Å; Q447-M473 VanDerWaalsContact CA-O 3.25Å; Q447-M473 WeakPolarHBondContact CA-O 3.34Å; Q447-M473 HydrophobicContact CB-CB 4.46Å; Q447-M473 HydrophobicContact CG-CB 4.27Å; Q447-M473 HydrophobicContact CG-CG 4.14Å; Q447-M473 HydrophobicContact CG-SD 4.01Å; E448-M473 PolarHBondContact N-O 3.48Å; M473-C475 PolarHBondContact O-N 3.07Å; M473-C475 VanDerWaalsContact O-N 3.12Å; M473-R497 CarbonylContact C-O 3.35Å; M473-R497 VanDerWaalsContact CA-O 3.27Å; M473-R497 WeakPolarHBondContact CA-O 3.18Å; M473-R497 HydrophobicContact CB-CB 4.18Å; M473-R497 HydrophobicContact CG-CB 3.78Å; M473-R497 HydrophobicContact SD-CB 4.3Å; M473-R497 PolarHBondContact SD-NH2 3.34Å
474	G	92.5	Very high	97.3	Very high	5 Å²	5	30 Å²	30	5%	0.052	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	14.8	175.9	0	0	0	0	0	115.9	K450 F472 R497 H498	K450-G474 PolarHBondContact NZ-O 2.88Å; F472-G474 PolarHBondContact O-N 3.2Å; G474-R497 PolarHBondContact N-O 2.8Å; G474-H498 WeakPolarHBondContact CA-O 3.1Å
475	C	96	Very high	97.2	Very high	1 Å²	1	30 Å²	30	1%	0.007	16%	0.156	C	C	.	.	S	Bend	trans	-81.3	152.6	167.9	-57.4	0	0	0	0	109.8	F472 M473 V477	F472-C475 HydrophobicContact CB-CB 4.43Å; F472-C475 VanDerWaalsContact O-CB 3.29Å; F472-C475 WeakPolarHBondContact O-CB 3.48Å; F472-C475 PolarHBondContact O-N 3.24Å; F472-C475 PolarHBondContact O-SG 3.47Å; F472-C475 VanDerWaalsContact O-SG 3.38Å; M473-C475 PolarHBondContact O-N 3.07Å; M473-C475 VanDerWaalsContact O-N 3.12Å; C475-V477 HydrophobicContact CB-CG2 4.17Å; C475-V477 PolarHBondContact O-N 2.9Å
476	P	96.3	Very high	97.2	Very high	46 Å²	46	27.7 Å²	27.7	30%	0.299	14%	0.141	S	C	.	.	S	Bend	trans	-76.3	49.7	176.5	35.7	-39.4	0	0	0	112.3	N449 K450 V452 T453	N449-P476 WeakPolarHBondContact O-CD 3.24Å; K450-P476 WeakPolarHBondContact O-CG 3.49Å; V452-P476 VanDerWaalsContact O-CD 3.26Å; V452-P476 WeakPolarHBondContact O-CD 3.48Å; V452-P476 WeakPolarHBondContact O-CG 3.35Å; T453-P476 HydrophobicContact CG2-CG 4.38Å
477	V	96.8	Very high	97.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.15	C	C	.	.			trans	-84.2	153.5	169	169	0	0	0	0	108.3	D454 V457 F472 C475 V482 I499	D454-V477 WeakPolarHBondContact OD1-CA 3.15Å; V457-V477 HydrophobicContact CG2-CB 4.36Å; V457-V477 HydrophobicContact CG2-CG1 3.81Å; V457-V477 HydrophobicContact CG2-CG2 3.56Å; F472-V477 HydrophobicContact CB-CG2 4.28Å; F472-V477 HydrophobicContact CD1-CG2 4.29Å; F472-V477 HydrophobicContact CG-CG2 4.29Å; C475-V477 HydrophobicContact CB-CG2 4.17Å; C475-V477 PolarHBondContact O-N 2.9Å; V477-V482 HydrophobicContact CG1-CG2 3.74Å; V477-I499 HydrophobicContact CB-CD1 4.27Å; V477-I499 VanDerWaalsContact O-CG2 3.27Å; V477-I499 WeakPolarHBondContact O-CG2 3.48Å
478	T	97.6	Very high	97.1	Very high	28 Å²	28	27.6 Å²	27.6	17%	0.172	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-128.7	177.4	176.6	82.9	0	0	0	0	110.7	D454 Q480 G481 V482 E501	D454-T478 PolarHBondContact OD1-N 3Å; D454-T478 PolarHBondContact OD2-OG1 2.89Å; T478-Q480 PolarHBondContact O-N 3.16Å; T478-Q480 VanDerWaalsContact O-N 3.12Å; T478-Q480 WeakPolarHBondContact OG1-CB 3.37Å; T478-Q480 PolarHBondContact OG1-N 3.38Å; T478-G481 PolarHBondContact O-N 2.99Å; T478-V482 WeakPolarHBondContact O-CG2 3.28Å; T478-V482 PolarHBondContact O-N 3.17Å; T478-E501 HydrophobicContact CG2-CB 4.23Å
479	S	97.6	Very high	96.9	Very high	7 Å²	7	29 Å²	29	5%	0.049	16%	0.157	C	C	.	.	H	α-helix	trans	-49.8	-31.3	168	-57.9	0	0	0	0	113.7	G481 I483 E501 L502 N503 T506	S479-G481 VanDerWaalsContact C-N 3.35Å; S479-I483 WeakPolarHBondContact O-CB 3.37Å; S479-I483 PolarHBondContact O-N 3.12Å; S479-I483 VanDerWaalsContact O-N 3.16Å; S479-E501 PolarHBondContact N-O 2.72Å; S479-E501 PolarHBondContact OG-O 2.85Å; S479-L502 WeakPolarHBondContact OG-CA 3.47Å; S479-N503 WeakPolarHBondContact CB-ND2 3.49Å; S479-N503 PolarHBondContact OG-N 3.29Å; S479-N503 PolarHBondContact OG-ND2 2.89Å; S479-T506 WeakPolarHBondContact CB-OG1 3.41Å
480	Q	97.3	Very high	96.7	Very high	129 Å²	129	30 Å²	30	60%	0.603	16%	0.164	S	C	*	.	H	α-helix	trans	-71.8	-25.5	179.5	-60.1	-61.7	-40.4	0	0	113.1	T478 H484	T478-Q480 PolarHBondContact O-N 3.16Å; T478-Q480 VanDerWaalsContact O-N 3.12Å; T478-Q480 WeakPolarHBondContact OG1-CB 3.37Å; T478-Q480 PolarHBondContact OG1-N 3.38Å; Q480-H484 PolarHBondContact O-CD2 2.7Å
481	G	97.4	Very high	96.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-83.5	-51.2	169.8	0	0	0	0	0	111.6	D454 V457 T478 S479 I483 H484	D454-G481 VanDerWaalsContact CG-CA 3.48Å; D454-G481 WeakPolarHBondContact OD1-CA 3.29Å; D454-G481 PolarHBondContact OD1-N 3.13Å; V457-G481 VanDerWaalsContact CG1-O 3.24Å; V457-G481 WeakPolarHBondContact CG1-O 3.27Å; T478-G481 PolarHBondContact O-N 2.99Å; S479-G481 VanDerWaalsContact C-N 3.35Å; G481-I483 PolarHBondContact O-N 3.12Å; G481-I483 VanDerWaalsContact O-N 3.17Å; G481-H484 WeakPolarHBondContact O-CB 3.27Å; G481-H484 PolarHBondContact O-N 3.23Å
482	V	98.1	Very high	96.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-56.2	-36.2	-174.9	174.5	0	0	0	0	112.5	V477 T478 H484 L485 L496 L502 T506 V510	V477-V482 HydrophobicContact CG1-CG2 3.74Å; T478-V482 WeakPolarHBondContact O-CG2 3.28Å; T478-V482 PolarHBondContact O-N 3.17Å; V482-H484 PolarHBondContact O-N 2.74Å; V482-H484 VanDerWaalsContact O-N 3.16Å; V482-L485 HydrophobicContact CG1-CD1 4.44Å; V482-L485 VanDerWaalsContact O-CB 3.28Å; V482-L485 WeakPolarHBondContact O-CB 3.29Å; V482-L485 WeakPolarHBondContact O-CG 3.32Å; V482-L485 PolarHBondContact O-N 3.32Å; V482-L496 HydrophobicContact CG1-CD1 3.67Å; V482-L496 HydrophobicContact CG2-CD1 4.11Å; V482-L496 HydrophobicContact CG2-CD2 3.73Å; V482-L502 HydrophobicContact CB-CD1 4.45Å; V482-L502 HydrophobicContact CG1-CD1 4.31Å; V482-L502 HydrophobicContact CG2-CD1 4.24Å; V482-T506 HydrophobicContact CB-CG2 3.92Å; V482-T506 HydrophobicContact CG1-CG2 3.75Å; V482-V510 HydrophobicContact CG1-CG2 4.07Å
483	I	97.9	Very high	96.8	Very high	52 Å²	52	33 Å²	33	27%	0.267	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-59.1	-28.6	179.3	-166.1	62.7	0	0	0	113.2	S479 G481 L485 T486 T506 E509	S479-I483 WeakPolarHBondContact O-CB 3.37Å; S479-I483 PolarHBondContact O-N 3.12Å; S479-I483 VanDerWaalsContact O-N 3.16Å; G481-I483 PolarHBondContact O-N 3.12Å; G481-I483 VanDerWaalsContact O-N 3.17Å; I483-L485 PolarHBondContact O-N 3.33Å; I483-T486 HydrophobicContact CD1-CG2 4.04Å; I483-T486 WeakPolarHBondContact O-CB 3.33Å; I483-T486 VanDerWaalsContact O-CG2 3.29Å; I483-T486 WeakPolarHBondContact O-CG2 3.49Å; I483-T486 PolarHBondContact O-N 2.93Å; I483-T486 PolarHBondContact O-OG1 3.25Å; I483-T506 HydrophobicContact CB-CG2 4.06Å; I483-T506 HydrophobicContact CD1-CG2 4.26Å; I483-E509 HydrophobicContact CD1-CB 4.05Å; I483-E509 HydrophobicContact CD1-CG 3.98Å
484	H	98.3	Very high	97	Very high	75 Å²	75	31.8 Å²	31.8	35%	0.347	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-66.8	-24.4	177.1	-66.6	-71.8	0	0	0	112.9	R458 A461 Q480 G481 V482 T486 A487	R458-H484 PolarHBondContact NE-NE2 3.02Å; A461-H484 HydrophobicContact CB-CB 4.01Å; A461-H484 WeakPolarHBondContact CB-O 3.36Å; Q480-H484 PolarHBondContact O-CD2 2.7Å; G481-H484 WeakPolarHBondContact O-CB 3.27Å; G481-H484 PolarHBondContact O-N 3.23Å; V482-H484 PolarHBondContact O-N 2.74Å; V482-H484 VanDerWaalsContact O-N 3.16Å; H484-T486 PolarHBondContact O-N 3.42Å; H484-T486 VanDerWaalsContact O-N 3.11Å; H484-A487 WeakPolarHBondContact O-CB 3.49Å; H484-A487 PolarHBondContact O-N 3.05Å; H484-A487 VanDerWaalsContact O-N 3.11Å
485	L	97.8	Very high	97.2	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-63.7	-16.3	176.2	-59	174.2	0	0	0	112.9	V457 A461 V470 F472 V482 I483 A487 L488 L491 L494	V457-L485 HydrophobicContact CG1-CD1 4.2Å; V457-L485 HydrophobicContact CG1-CD2 3.81Å; V457-L485 HydrophobicContact CG1-CG 3.81Å; A461-L485 HydrophobicContact CB-CD2 4.47Å; V470-L485 HydrophobicContact CG1-CD1 4.38Å; V470-L485 HydrophobicContact CG1-CD2 4.23Å; F472-L485 HydrophobicContact CE2-CD1 4.37Å; F472-L485 HydrophobicContact CE2-CD2 4.46Å; V482-L485 HydrophobicContact CG1-CD1 4.44Å; V482-L485 VanDerWaalsContact O-CB 3.28Å; V482-L485 WeakPolarHBondContact O-CB 3.29Å; V482-L485 WeakPolarHBondContact O-CG 3.32Å; V482-L485 PolarHBondContact O-N 3.32Å; I483-L485 PolarHBondContact O-N 3.33Å; L485-A487 PolarHBondContact O-N 3.2Å; L485-A487 VanDerWaalsContact O-N 3.15Å; L485-L488 HydrophobicContact CD2-CD1 3.71Å; L485-L488 WeakPolarHBondContact O-CB 3.3Å; L485-L488 PolarHBondContact O-N 2.88Å; L485-L491 HydrophobicContact CB-CD2 4.47Å; L485-L494 HydrophobicContact CD1-CD1 3.72Å
486	T	97	Very high	97.3	Very high	32 Å²	32	32.1 Å²	32.1	20%	0.196	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-59.6	-19.3	171.8	59	0	0	0	0	113.8	I483 H484 L488 Q489 E509 V510 K513	I483-T486 HydrophobicContact CD1-CG2 4.04Å; I483-T486 WeakPolarHBondContact O-CB 3.33Å; I483-T486 VanDerWaalsContact O-CG2 3.29Å; I483-T486 WeakPolarHBondContact O-CG2 3.49Å; I483-T486 PolarHBondContact O-N 2.93Å; I483-T486 PolarHBondContact O-OG1 3.25Å; H484-T486 PolarHBondContact O-N 3.42Å; H484-T486 VanDerWaalsContact O-N 3.11Å; T486-L488 VanDerWaalsContact C-N 3.29Å; T486-Q489 PolarHBondContact O-NE2 3.35Å; T486-E509 HydrophobicContact CG2-CG 4.34Å; T486-V510 HydrophobicContact CG2-CG2 4Å; T486-K513 HydrophobicContact CG2-CB 4.07Å; T486-K513 HydrophobicContact CG2-CG 4.02Å
487	A	96.8	Very high	97.2	Very high	61 Å²	61	32.9 Å²	32.9	50%	0.504	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-68.1	-28.2	172.3	0	0	0	0	0	112.6	H484 L485 Q489	H484-A487 WeakPolarHBondContact O-CB 3.49Å; H484-A487 PolarHBondContact O-N 3.05Å; H484-A487 VanDerWaalsContact O-N 3.11Å; L485-A487 PolarHBondContact O-N 3.2Å; L485-A487 VanDerWaalsContact O-N 3.15Å; A487-Q489 PolarHBondContact O-N 3.4Å; A487-Q489 PolarHBondContact O-NE2 2.89Å
488	L	96.8	Very high	97	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.197	C	C	.	.			trans	-79.7	87.8	-171.3	-61	177.3	0	0	0	112.3	A461 C464 L467 V470 L485 T486 N490 L491	A461-L488 HydrophobicContact CB-CG 4.48Å; C464-L488 WeakPolarHBondContact O-CD2 3.27Å; L467-L488 HydrophobicContact CB-CD1 3.93Å; L467-L488 HydrophobicContact CB-CD2 4.2Å; L467-L488 HydrophobicContact CD1-CD1 3.92Å; L467-L488 HydrophobicContact CD1-CD2 4.43Å; V470-L488 HydrophobicContact CG2-CD1 4.36Å; L485-L488 HydrophobicContact CD2-CD1 3.71Å; L485-L488 WeakPolarHBondContact O-CB 3.3Å; L485-L488 PolarHBondContact O-N 2.88Å; T486-L488 VanDerWaalsContact C-N 3.29Å; L488-N490 PolarHBondContact O-N 3.41Å; L488-N490 VanDerWaalsContact O-N 3.09Å; L488-L491 HydrophobicContact CB-CB 4.06Å; L488-L491 WeakPolarHBondContact O-CB 3.49Å; L488-L491 PolarHBondContact O-N 3.4Å; L488-L491 VanDerWaalsContact O-N 3.15Å
489	Q	93.3	Very high	96.8	Very high	109 Å²	109	36.7 Å²	36.7	51%	0.509	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-12.8	-179.9	-56.4	-52	-57.1	0	0	114.7	T486 A487 K516	T486-Q489 PolarHBondContact O-NE2 3.35Å; A487-Q489 PolarHBondContact O-N 3.4Å; A487-Q489 PolarHBondContact O-NE2 2.89Å; Q489-K516 WeakPolarHBondContact O-CD 3.41Å
490	N	96.3	Very high	96	Very high	55 Å²	55	40.6 Å²	40.6	29%	0.294	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-3.2	178.7	-68.5	-47.9	0	0	0	114.1	P465 L467 Q468 L488 S492 K516	P465-N490 PolarHBondContact O-ND2 3.49Å; L467-N490 CarbonylContact O-C 3.39Å; L467-N490 WeakPolarHBondContact O-CB 3.48Å; Q468-N490 WeakPolarHBondContact CA-O 3.49Å; Q468-N490 HydrophobicContact CG-CB 4.35Å; L488-N490 PolarHBondContact O-N 3.41Å; L488-N490 VanDerWaalsContact O-N 3.09Å; N490-S492 PolarHBondContact O-N 3.3Å; N490-K516 PolarHBondContact OD1-NZ 3.11Å
491	L	98.1	Very high	95.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.			trans	-61.7	120	-176.4	-170.2	67.5	0	0	0	110.9	L467 V470 L485 L488 L494 C514 K516 L517	L467-L491 PolarHBondContact O-N 2.97Å; V470-L491 HydrophobicContact CB-CD1 3.92Å; V470-L491 HydrophobicContact CG2-CD1 3.63Å; L485-L491 HydrophobicContact CB-CD2 4.47Å; L488-L491 HydrophobicContact CB-CB 4.06Å; L488-L491 WeakPolarHBondContact O-CB 3.49Å; L488-L491 PolarHBondContact O-N 3.4Å; L488-L491 VanDerWaalsContact O-N 3.15Å; L491-L494 HydrophobicContact CD2-CB 4.27Å; L491-L494 HydrophobicContact CD2-CD1 4.47Å; L491-L494 HydrophobicContact CD2-CD2 4.19Å; L491-C514 HydrophobicContact CB-CB 4.42Å; L491-C514 HydrophobicContact CD2-CB 4.47Å; L491-K516 CarbonylContact O-C 3.52Å; L491-K516 VanDerWaalsContact O-C 3.26Å; L491-L517 HydrophobicContact CG-CD1 4.32Å; L491-L517 WeakPolarHBondContact O-CA 3.35Å; L491-L517 PolarHBondContact O-N 3.11Å
492	S	97.9	Very high	95.7	Very high	30 Å²	30	41.5 Å²	41.5	21%	0.21	22%	0.223	C	C	.	.			trans	-116.7	-26.7	-177.8	67.3	0	0	0	0	113.3	Q468 N490 K516 S518 S519	Q468-S492 WeakPolarHBondContact O-CA 3.09Å; Q468-S492 PolarHBondContact O-N 3.36Å; Q468-S492 PolarHBondContact O-OG 3.07Å; N490-S492 PolarHBondContact O-N 3.3Å; S492-K516 WeakPolarHBondContact CA-O 3.18Å; S492-S518 WeakPolarHBondContact O-CA 3.45Å; S492-S518 PolarHBondContact O-N 2.89Å; S492-S519 PolarHBondContact O-N 3.26Å
493	V	98.6	Very high	95.6	Very high	35 Å²	35	44.5 Å²	44.5	21%	0.212	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	127.4	176.7	-176.7	0	0	0	0	110	Q468 F469 V470 S519	Q468-V493 PolarHBondContact O-N 3.27Å; F469-V493 WeakPolarHBondContact CA-O 3.41Å; F469-V493 HydrophobicContact CB-CB 4.42Å; F469-V493 HydrophobicContact CD2-CB 3.46Å; F469-V493 VanDerWaalsContact CD2-CB 3.46Å; F469-V493 HydrophobicContact CD2-CG1 3.46Å; F469-V493 VanDerWaalsContact CD2-CG1 3.46Å; F469-V493 HydrophobicContact CD2-CG2 3.97Å; F469-V493 HydrophobicContact CE2-CB 4.04Å; F469-V493 HydrophobicContact CE2-CG1 3.47Å; F469-V493 VanDerWaalsContact CE2-CG1 3.47Å; F469-V493 HydrophobicContact CG-CB 4.21Å; F469-V493 HydrophobicContact CG-CG1 4.44Å; F469-V493 HydrophobicContact CZ-CG1 4.46Å; V470-V493 PolarHBondContact N-O 3.04Å; V493-S519 WeakPolarHBondContact CA-O 3.34Å
494	L	98.5	Very high	95.6	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	119.5	179.4	-179.8	56.3	0	0	0	111.1	V470 L485 L491 L496 V510 L517 S519 L520 N521	V470-L494 HydrophobicContact CB-CD1 4.33Å; V470-L494 HydrophobicContact CG1-CD1 4.38Å; V470-L494 WeakPolarHBondContact O-CA 3.18Å; L485-L494 HydrophobicContact CD1-CD1 3.72Å; L491-L494 HydrophobicContact CD2-CB 4.27Å; L491-L494 HydrophobicContact CD2-CD1 4.47Å; L491-L494 HydrophobicContact CD2-CD2 4.19Å; L494-L496 HydrophobicContact CD1-CD1 4.35Å; L494-L496 HydrophobicContact CD1-CD2 4.06Å; L494-L496 HydrophobicContact CD1-CG 3.94Å; L494-L496 HydrophobicContact CD2-CD1 3.9Å; L494-L496 HydrophobicContact CD2-CG 4.32Å; L494-L496 HydrophobicContact CG-CD1 4.06Å; L494-L496 HydrophobicContact CG-CG 3.91Å; L494-V510 HydrophobicContact CD2-CG1 3.62Å; L494-L517 HydrophobicContact CB-CD1 3.73Å; L494-S519 PolarHBondContact N-O 3Å; L494-L520 HydrophobicContact CB-CD1 4.16Å; L494-L520 HydrophobicContact CD2-CD1 4.09Å; L494-L520 HydrophobicContact CG-CD1 4.18Å; L494-N521 PolarHBondContact O-N 2.84Å
495	D	97.8	Very high	95.5	Very high	10 Å²	10	44.8 Å²	44.8	5%	0.053	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	107.1	177.3	-177.3	-1.8	0	0	0	111.5	V470 G471 F472 R497 N521	V470-D495 PolarHBondContact O-N 2.9Å; G471-D495 WeakPolarHBondContact CA-O 3.47Å; F472-D495 PolarHBondContact N-O 3.12Å; D495-R497 WeakPolarHBondContact OD1-CB 3.28Å; D495-R497 WeakPolarHBondContact OD1-CG 3.46Å; D495-R497 IonicContact OD1-CZ 3.87Å; D495-R497 PolarHBondContact OD1-N 2.63Å; D495-R497 VanDerWaalsContact OD1-N 3.08Å; D495-R497 IonicContact OD1-NE 3.97Å; D495-R497 PolarHBondContact OD1-NE 3.37Å; D495-R497 IonicContact OD1-NH2 3.1Å; D495-R497 IonicContact OD2-CZ 3.87Å; D495-R497 VanDerWaalsContact OD2-CZ 3.27Å; D495-R497 IonicContact OD2-NE 3.11Å; D495-R497 PolarHBondContact OD2-NE 3.37Å; D495-R497 IonicContact OD2-NH2 3.89Å; D495-R497 PolarHBondContact OD2-NH2 3.21Å; D495-N521 HydrophobicContact CB-CB 4.39Å
496	L	96.6	Very high	95.6	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	24%	0.244	C	C	.	.			trans	-117.9	36.9	179	-64	176.5	0	0	0	110.8	V482 L494 H498 I499 L502 N521 L522 N525	V482-L496 HydrophobicContact CG1-CD1 3.67Å; V482-L496 HydrophobicContact CG2-CD1 4.11Å; V482-L496 HydrophobicContact CG2-CD2 3.73Å; L494-L496 HydrophobicContact CD1-CD1 4.35Å; L494-L496 HydrophobicContact CD1-CD2 4.06Å; L494-L496 HydrophobicContact CD1-CG 3.94Å; L494-L496 HydrophobicContact CD2-CD1 3.9Å; L494-L496 HydrophobicContact CD2-CG 4.32Å; L494-L496 HydrophobicContact CG-CD1 4.06Å; L494-L496 HydrophobicContact CG-CG 3.91Å; L496-H498 PolarHBondContact O-N 3.21Å; L496-I499 HydrophobicContact CB-CG1 4.01Å; L496-I499 HydrophobicContact CD2-CG1 4.39Å; L496-I499 WeakPolarHBondContact O-CG1 3.35Å; L496-L502 HydrophobicContact CB-CD2 4.1Å; L496-L502 HydrophobicContact CD1-CD1 4.33Å; L496-L502 HydrophobicContact CD1-CD2 4.1Å; L496-N521 CarbonylContact C-O 3.26Å; L496-N521 PolarHBondContact N-O 3.37Å; L496-L522 HydrophobicContact CB-CD2 4.36Å; L496-L522 HydrophobicContact CD1-CD2 4.49Å; L496-N525 PolarHBondContact O-ND2 3.27Å
497	R	95.3	Very high	95.6	Very high	62 Å²	62	44 Å²	44	23%	0.234	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	135.1	176.8	-74.8	180	-70.7	158.6	3.6	112.5	Y445 M473 G474 D495 I499 N521 C523	Y445-R497 PolarHBondContact OH-NH2 2.93Å; Y445-R497 VanDerWaalsContact OH-NH2 3.09Å; M473-R497 CarbonylContact C-O 3.35Å; M473-R497 VanDerWaalsContact CA-O 3.27Å; M473-R497 WeakPolarHBondContact CA-O 3.18Å; M473-R497 HydrophobicContact CB-CB 4.18Å; M473-R497 HydrophobicContact CG-CB 3.78Å; M473-R497 HydrophobicContact SD-CB 4.3Å; M473-R497 PolarHBondContact SD-NH2 3.34Å; G474-R497 PolarHBondContact N-O 2.8Å; D495-R497 WeakPolarHBondContact OD1-CB 3.28Å; D495-R497 WeakPolarHBondContact OD1-CG 3.46Å; D495-R497 IonicContact OD1-CZ 3.87Å; D495-R497 PolarHBondContact OD1-N 2.63Å; D495-R497 VanDerWaalsContact OD1-N 3.08Å; D495-R497 IonicContact OD1-NE 3.97Å; D495-R497 PolarHBondContact OD1-NE 3.37Å; D495-R497 IonicContact OD1-NH2 3.1Å; D495-R497 IonicContact OD2-CZ 3.87Å; D495-R497 VanDerWaalsContact OD2-CZ 3.27Å; D495-R497 IonicContact OD2-NE 3.11Å; D495-R497 PolarHBondContact OD2-NE 3.37Å; D495-R497 IonicContact OD2-NH2 3.89Å; D495-R497 PolarHBondContact OD2-NH2 3.21Å; R497-I499 PolarHBondContact O-N 3Å; R497-N521 VanDerWaalsContact CD-OD1 3.25Å; R497-N521 WeakPolarHBondContact CD-OD1 3.38Å; R497-N521 HydrophobicContact CG-CB 4.36Å; R497-N521 WeakPolarHBondContact CG-OD1 3.44Å; R497-C523 CarbonylContact C-O 3.48Å; R497-C523 VanDerWaalsContact CA-O 3.29Å; R497-C523 WeakPolarHBondContact CA-O 3.49Å; R497-C523 HydrophobicContact CG-CB 3.9Å
498	H	93	Very high	95.7	Very high	99 Å²	99	41.2 Å²	41.2	46%	0.458	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	54	173	-171.4	-137.7	0	0	0	113.1	G474 L496 C523 L524	G474-H498 WeakPolarHBondContact CA-O 3.1Å; L496-H498 PolarHBondContact O-N 3.21Å; H498-C523 PolarHBondContact N-O 2.82Å; H498-L524 HydrophobicContact CB-CB 3.91Å; H498-L524 HydrophobicContact CB-CD1 3.94Å
499	I	92.4	Very high	95.7	Very high	9 Å²	9	43.7 Å²	43.7	5%	0.046	22%	0.224	C	C	.	.			trans	-97.1	131.1	179.1	-66.2	-66.5	0	0	0	109.3	F472 V477 L496 R497 E501 L502 N525	F472-I499 HydrophobicContact CB-CD1 4.33Å; F472-I499 VanDerWaalsContact O-CD1 3.32Å; F472-I499 WeakPolarHBondContact O-CD1 3.17Å; V477-I499 HydrophobicContact CB-CD1 4.27Å; V477-I499 VanDerWaalsContact O-CG2 3.27Å; V477-I499 WeakPolarHBondContact O-CG2 3.48Å; L496-I499 HydrophobicContact CB-CG1 4.01Å; L496-I499 HydrophobicContact CD2-CG1 4.39Å; L496-I499 WeakPolarHBondContact O-CG1 3.35Å; R497-I499 PolarHBondContact O-N 3Å; I499-E501 PolarHBondContact O-N 2.67Å; I499-L502 HydrophobicContact CB-CB 4.22Å; I499-L502 HydrophobicContact CG2-CB 3.91Å; I499-N525 PolarHBondContact N-OD1 3.42Å; I499-N525 VanDerWaalsContact N-OD1 3.12Å; I499-N525 PolarHBondContact O-OD1 3.36Å; I499-N525 VanDerWaalsContact O-OD1 3.12Å
500	S	81.7	Confident	95.9	Very high	90 Å²	90	38.6 Å²	38.6	63%	0.629	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-43.9	-167.1	-47.4	0	0	0	0	114.2
501	E	92	Very high	96	Very high	142 Å²	142	36.3 Å²	36.3	66%	0.664	19%	0.188	S	C	*	.	B	Isolated β-bridge	trans	-137.9	55.2	-170.9	-65.1	-172.4	-169.2	0	0	111.2	T478 S479 I499	T478-E501 HydrophobicContact CG2-CB 4.23Å; S479-E501 PolarHBondContact N-O 2.72Å; S479-E501 PolarHBondContact OG-O 2.85Å; I499-E501 PolarHBondContact O-N 2.67Å
502	L	95.6	Very high	95.9	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.026	20%	0.202	C	C	.	.			trans	-85.4	122.8	172.1	-170.4	58.7	0	0	0	110.6	S479 V482 L496 I499 V507 L522 S527 I528	S479-L502 WeakPolarHBondContact OG-CA 3.47Å; V482-L502 HydrophobicContact CB-CD1 4.45Å; V482-L502 HydrophobicContact CG1-CD1 4.31Å; V482-L502 HydrophobicContact CG2-CD1 4.24Å; L496-L502 HydrophobicContact CB-CD2 4.1Å; L496-L502 HydrophobicContact CD1-CD1 4.33Å; L496-L502 HydrophobicContact CD1-CD2 4.1Å; I499-L502 HydrophobicContact CB-CB 4.22Å; I499-L502 HydrophobicContact CG2-CB 3.91Å; L502-V507 HydrophobicContact CD1-CG2 3.77Å; L502-V507 HydrophobicContact CD2-CG2 3.79Å; L502-V507 HydrophobicContact CG-CG2 3.74Å; L502-L522 HydrophobicContact CD2-CD2 3.93Å; L502-S527 VanDerWaalsContact O-CB 3.29Å; L502-S527 WeakPolarHBondContact O-CB 3.15Å; L502-S527 PolarHBondContact O-OG 2.88Å; L502-I528 HydrophobicContact CD2-CD1 4.5Å
503	N	95.8	Very high	95.8	Very high	64 Å²	64	43.5 Å²	43.5	34%	0.342	21%	0.213	S	C	.	.			trans	-103.7	157	177.2	78.7	43.1	0	0	0	111.5	S479 E505 T506 V507	S479-N503 WeakPolarHBondContact CB-ND2 3.49Å; S479-N503 PolarHBondContact OG-N 3.29Å; S479-N503 PolarHBondContact OG-ND2 2.89Å; N503-E505 PolarHBondContact O-N 2.92Å; N503-E505 PolarHBondContact OD1-N 3.14Å; N503-E505 VanDerWaalsContact OD1-N 3.15Å; N503-T506 WeakPolarHBondContact OD1-CB 3.28Å; N503-T506 PolarHBondContact OD1-N 2.83Å; N503-T506 PolarHBondContact OD1-OG1 2.91Å; N503-V507 PolarHBondContact O-N 3.09Å
504	N	97.4	Very high	95.7	Very high	26 Å²	26	41.9 Å²	41.9	14%	0.139	20%	0.203	C	C	.	.	H	α-helix	trans	-64.7	-38.6	-176.3	-65	-75.6	0	0	0	112.6	T506 V507 M508 S527 I528 N529 C532	N504-T506 PolarHBondContact O-N 3.14Å; N504-V507 PolarHBondContact O-N 3.46Å; N504-M508 HydrophobicContact CB-CE 4.33Å; N504-M508 VanDerWaalsContact O-CG 3.3Å; N504-M508 WeakPolarHBondContact O-CG 3.3Å; N504-M508 PolarHBondContact O-N 2.84Å; N504-S527 PolarHBondContact ND2-O 3.1Å; N504-S527 PolarHBondContact OD1-O 3.32Å; N504-I528 WeakPolarHBondContact OD1-CA 3.17Å; N504-N529 PolarHBondContact ND2-ND2 3.36Å; N504-N529 PolarHBondContact OD1-N 2.93Å; N504-C532 HydrophobicContact CB-CB 3.86Å; N504-C532 WeakPolarHBondContact OD1-CB 3.49Å
505	E	97.8	Very high	95.5	Very high	106 Å²	106	51 Å²	51	50%	0.495	24%	0.237	S	C	.	.	H	α-helix	trans	-62.9	-41.6	-177.1	-59.7	-58	145.3	0	0	112.1	N503 M508 E509	N503-E505 PolarHBondContact O-N 2.92Å; N503-E505 PolarHBondContact OD1-N 3.14Å; N503-E505 VanDerWaalsContact OD1-N 3.15Å; E505-M508 HydrophobicContact CB-CE 4.47Å; E505-M508 HydrophobicContact CG-CE 4.28Å; E505-M508 PolarHBondContact O-N 2.68Å; E505-M508 VanDerWaalsContact OE1-CE 3.28Å; E505-M508 WeakPolarHBondContact OE1-CE 3.31Å; E505-M508 WeakPolarHBondContact OE2-CE 3.26Å; E505-E509 WeakPolarHBondContact O-CB 3.49Å; E505-E509 PolarHBondContact O-N 2.94Å
506	T	98	Very high	95.4	Very high	13 Å²	13	56 Å²	56	8%	0.08	26%	0.259	C	S	.	.	H	α-helix	trans	-64.9	-41.6	176.4	-63.2	0	0	0	0	111.9	S479 V482 I483 N503 N504 E509 V510	S479-T506 WeakPolarHBondContact CB-OG1 3.41Å; V482-T506 HydrophobicContact CB-CG2 3.92Å; V482-T506 HydrophobicContact CG1-CG2 3.75Å; I483-T506 HydrophobicContact CB-CG2 4.06Å; I483-T506 HydrophobicContact CD1-CG2 4.26Å; N503-T506 WeakPolarHBondContact OD1-CB 3.28Å; N503-T506 PolarHBondContact OD1-N 2.83Å; N503-T506 PolarHBondContact OD1-OG1 2.91Å; N504-T506 PolarHBondContact O-N 3.14Å; T506-E509 PolarHBondContact O-N 2.83Å; T506-V510 WeakPolarHBondContact O-CG2 3.49Å; T506-V510 PolarHBondContact O-N 3.09Å
507	V	98.1	Very high	95.5	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.018	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-43.8	177.1	178.2	0	0	0	0	110.9	L502 N503 N504 E509 V510 V511 L520 L522 I528 I536	L502-V507 HydrophobicContact CD1-CG2 3.77Å; L502-V507 HydrophobicContact CD2-CG2 3.79Å; L502-V507 HydrophobicContact CG-CG2 3.74Å; N503-V507 PolarHBondContact O-N 3.09Å; N504-V507 PolarHBondContact O-N 3.46Å; V507-E509 VanDerWaalsContact C-N 3.34Å; V507-E509 PolarHBondContact O-N 2.67Å; V507-V510 PolarHBondContact O-N 2.61Å; V507-V511 PolarHBondContact O-N 3.28Å; V507-V511 VanDerWaalsContact O-N 3.08Å; V507-L520 HydrophobicContact CG1-CD2 4.26Å; V507-L522 HydrophobicContact CG1-CD1 3.86Å; V507-L522 HydrophobicContact CG1-CD2 4.15Å; V507-L522 HydrophobicContact CG2-CD2 4.14Å; V507-I528 HydrophobicContact CG2-CD1 4.07Å; V507-I536 HydrophobicContact CG1-CD1 3.82Å; V507-I536 HydrophobicContact CG1-CG1 4.41Å
508	M	97.8	Very high	95.6	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.015	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-43.8	175.5	-68.1	-176.6	-64.1	0	0	111.4	N504 E505 V510 V511 R512 I535	N504-M508 HydrophobicContact CB-CE 4.33Å; N504-M508 VanDerWaalsContact O-CG 3.3Å; N504-M508 WeakPolarHBondContact O-CG 3.3Å; N504-M508 PolarHBondContact O-N 2.84Å; E505-M508 HydrophobicContact CB-CE 4.47Å; E505-M508 HydrophobicContact CG-CE 4.28Å; E505-M508 PolarHBondContact O-N 2.68Å; E505-M508 VanDerWaalsContact OE1-CE 3.28Å; E505-M508 WeakPolarHBondContact OE1-CE 3.31Å; E505-M508 WeakPolarHBondContact OE2-CE 3.26Å; M508-V510 PolarHBondContact O-N 3.05Å; M508-V511 PolarHBondContact O-N 3.16Å; M508-R512 WeakPolarHBondContact O-CG 3.29Å; M508-R512 PolarHBondContact O-N 2.96Å; M508-I535 HydrophobicContact CB-CG2 3.88Å; M508-I535 HydrophobicContact CG-CB 3.89Å; M508-I535 HydrophobicContact CG-CG2 3.6Å; M508-I535 HydrophobicContact SD-CB 3.52Å; M508-I535 VanDerWaalsContact SD-CB 3.52Å; M508-I535 HydrophobicContact SD-CG1 3.63Å; M508-I535 HydrophobicContact SD-CG2 3.6Å
509	E	98.1	Very high	95.9	Very high	54 Å²	54	50.5 Å²	50.5	25%	0.252	24%	0.241	S	C	.	.	H	α-helix	trans	-66.9	-36.4	178.6	-164.8	60.9	-163.3	0	0	113.1	I483 T486 E505 T506 V507 V511 R512 K513	I483-E509 HydrophobicContact CD1-CB 4.05Å; I483-E509 HydrophobicContact CD1-CG 3.98Å; T486-E509 HydrophobicContact CG2-CG 4.34Å; E505-E509 WeakPolarHBondContact O-CB 3.49Å; E505-E509 PolarHBondContact O-N 2.94Å; T506-E509 PolarHBondContact O-N 2.83Å; V507-E509 VanDerWaalsContact C-N 3.34Å; V507-E509 PolarHBondContact O-N 2.67Å; E509-V511 PolarHBondContact O-N 2.88Å; E509-R512 PolarHBondContact O-N 3.31Å; E509-R512 WeakPolarHBondContact OE2-CD 3.36Å; E509-R512 IonicContact OE2-CZ 3.98Å; E509-R512 IonicContact OE2-NH1 2.7Å; E509-R512 PolarHBondContact OE2-NH1 2.84Å; E509-K513 HydrophobicContact CG-CG 4.43Å; E509-K513 VanDerWaalsContact O-CG 3.26Å; E509-K513 WeakPolarHBondContact O-CG 3.31Å; E509-K513 PolarHBondContact O-N 2.86Å; E509-K513 VanDerWaalsContact O-N 3.1Å; E509-K513 WeakPolarHBondContact OE1-CE 3.22Å; E509-K513 IonicContact OE1-NZ 2.59Å
510	V	97.7	Very high	96.2	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-59.2	-45.7	171.1	167.5	0	0	0	0	111.1	V482 T486 L494 T506 V507 M508 R512 K513 C514	V482-V510 HydrophobicContact CG1-CG2 4.07Å; T486-V510 HydrophobicContact CG2-CG2 4Å; L494-V510 HydrophobicContact CD2-CG1 3.62Å; T506-V510 WeakPolarHBondContact O-CG2 3.49Å; T506-V510 PolarHBondContact O-N 3.09Å; V507-V510 PolarHBondContact O-N 2.61Å; M508-V510 PolarHBondContact O-N 3.05Å; V510-R512 PolarHBondContact O-N 3.02Å; V510-K513 PolarHBondContact O-N 3.31Å; V510-C514 VanDerWaalsContact O-CB 3.27Å; V510-C514 WeakPolarHBondContact O-CB 3.42Å; V510-C514 PolarHBondContact O-N 3.32Å
511	V	97.4	Very high	96.9	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.042	22%	0.215	C	C	.	.	H	α-helix	trans	-66.4	-35.5	179	175.2	0	0	0	0	112.3	V507 M508 E509 L517 L520 I536 E539 G540	V507-V511 PolarHBondContact O-N 3.28Å; V507-V511 VanDerWaalsContact O-N 3.08Å; M508-V511 PolarHBondContact O-N 3.16Å; E509-V511 PolarHBondContact O-N 2.88Å; V511-L517 HydrophobicContact CG2-CD2 4.09Å; V511-L520 HydrophobicContact CG2-CD2 3.8Å; V511-I536 HydrophobicContact CG2-CG1 4.13Å; V511-I536 HydrophobicContact CG2-CG2 4.4Å; V511-E539 HydrophobicContact CG1-CB 4.47Å; V511-G540 VanDerWaalsContact CG1-CA 3.44Å
512	R	96.2	Very high	97.2	Very high	79 Å²	79	40.1 Å²	40.1	30%	0.298	18%	0.183	S	C	.	.	H	α-helix	trans	-63	-40.1	173.7	-71.8	178.4	-167.6	115.5	16.2	113.8	M508 E509 V510 E539	M508-R512 WeakPolarHBondContact O-CG 3.29Å; M508-R512 PolarHBondContact O-N 2.96Å; E509-R512 PolarHBondContact O-N 3.31Å; E509-R512 WeakPolarHBondContact OE2-CD 3.36Å; E509-R512 IonicContact OE2-CZ 3.98Å; E509-R512 IonicContact OE2-NH1 2.7Å; E509-R512 PolarHBondContact OE2-NH1 2.84Å; V510-R512 PolarHBondContact O-N 3.02Å; R512-E539 WeakPolarHBondContact CD-OE2 3.37Å; R512-E539 HydrophobicContact CG-CB 4.44Å; R512-E539 WeakPolarHBondContact CG-OE2 3.38Å; R512-E539 IonicContact CZ-OE1 2.96Å; R512-E539 IonicContact CZ-OE2 2.81Å; R512-E539 VanDerWaalsContact NE-CD 3.32Å; R512-E539 IonicContact NE-OE1 3.06Å; R512-E539 PolarHBondContact NE-OE1 3.35Å; R512-E539 VanDerWaalsContact NE-OE1 3.11Å; R512-E539 IonicContact NE-OE2 3.76Å; R512-E539 PolarHBondContact NE-OE2 3.47Å; R512-E539 IonicContact NH2-OE1 2.66Å; R512-E539 IonicContact NH2-OE2 3.77Å; R512-E539 PolarHBondContact NH2-OE2 3.12Å
513	K	96.4	Very high	97.3	Very high	101 Å²	101	40.4 Å²	40.4	44%	0.439	19%	0.185	S	C	.	.	H	α-helix	trans	-89.9	-45	-171.1	-62.3	-71.3	177.2	173.5	0	111.9	T486 E509 V510 R515	T486-K513 HydrophobicContact CG2-CB 4.07Å; T486-K513 HydrophobicContact CG2-CG 4.02Å; E509-K513 HydrophobicContact CG-CG 4.43Å; E509-K513 VanDerWaalsContact O-CG 3.26Å; E509-K513 WeakPolarHBondContact O-CG 3.31Å; E509-K513 PolarHBondContact O-N 2.86Å; E509-K513 VanDerWaalsContact O-N 3.1Å; E509-K513 WeakPolarHBondContact OE1-CE 3.22Å; E509-K513 IonicContact OE1-NZ 2.59Å; V510-K513 PolarHBondContact O-N 3.31Å; K513-R515 VanDerWaalsContact C-N 3.28Å; K513-R515 PolarHBondContact O-N 3.34Å
514	C	96.4	Very high	97.2	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.007	19%	0.187	C	C	.	.			trans	-81.1	69.5	-177	-60.5	0	0	0	0	111.4	L491 V510 K516 L517	L491-C514 HydrophobicContact CB-CB 4.42Å; L491-C514 HydrophobicContact CD2-CB 4.47Å; V510-C514 VanDerWaalsContact O-CB 3.27Å; V510-C514 WeakPolarHBondContact O-CB 3.42Å; V510-C514 PolarHBondContact O-N 3.32Å; C514-K516 PolarHBondContact O-N 2.74Å; C514-L517 HydrophobicContact CB-CB 4.24Å; C514-L517 WeakPolarHBondContact O-CB 3.38Å; C514-L517 PolarHBondContact O-N 2.78Å
515	R	93.4	Very high	97	Very high	192 Å²	192	39.6 Å²	39.6	73%	0.725	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-8	-173	-65.5	-178.1	179.1	-177.4	0.4	116	K513 S542	K513-R515 VanDerWaalsContact C-N 3.28Å; K513-R515 PolarHBondContact O-N 3.34Å; R515-S542 PolarHBondContact O-OG 3Å
516	K	96.4	Very high	96.7	Very high	115 Å²	115	44 Å²	44	50%	0.5	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	2.9	175	-61.3	-171.5	-168.6	173.1	0	113.3	Q489 N490 L491 S492 C514 S518	Q489-K516 WeakPolarHBondContact O-CD 3.41Å; N490-K516 PolarHBondContact OD1-NZ 3.11Å; L491-K516 CarbonylContact O-C 3.52Å; L491-K516 VanDerWaalsContact O-C 3.26Å; S492-K516 WeakPolarHBondContact CA-O 3.18Å; C514-K516 PolarHBondContact O-N 2.74Å; K516-S518 PolarHBondContact O-N 3.12Å
517	L	97.9	Very high	96.5	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.031	21%	0.207	C	C	.	.			trans	-66	104.4	-175.8	-172	70.4	0	0	0	111.1	L491 L494 V511 C514 S519 L520 S542 L543	L491-L517 HydrophobicContact CG-CD1 4.32Å; L491-L517 WeakPolarHBondContact O-CA 3.35Å; L491-L517 PolarHBondContact O-N 3.11Å; L494-L517 HydrophobicContact CB-CD1 3.73Å; V511-L517 HydrophobicContact CG2-CD2 4.09Å; C514-L517 HydrophobicContact CB-CB 4.24Å; C514-L517 WeakPolarHBondContact O-CB 3.38Å; C514-L517 PolarHBondContact O-N 2.78Å; L517-S519 WeakPolarHBondContact CD1-O 3.34Å; L517-L520 HydrophobicContact CD2-CB 4.19Å; L517-L520 HydrophobicContact CD2-CD1 4.36Å; L517-L520 HydrophobicContact CD2-CD2 4.31Å; L517-S542 PolarHBondContact N-OG 3.33Å; L517-S542 CarbonylContact O-C 3.54Å; L517-S542 PolarHBondContact O-OG 3.17Å; L517-L543 HydrophobicContact CD2-CD1 4.47Å; L517-L543 HydrophobicContact CG-CD1 4.21Å; L517-L543 VanDerWaalsContact O-CA 3.24Å; L517-L543 WeakPolarHBondContact O-CA 3.48Å; L517-L543 PolarHBondContact O-N 3.12Å
518	S	98.1	Very high	96.4	Very high	35 Å²	35	45.8 Å²	45.8	25%	0.245	21%	0.206	C	C	.	.			trans	-94.9	-26	-178.8	-177.7	0	0	0	0	113.2	S492 K516 S542 K544 E545	S492-S518 WeakPolarHBondContact O-CA 3.45Å; S492-S518 PolarHBondContact O-N 2.89Å; K516-S518 PolarHBondContact O-N 3.12Å; S518-S542 WeakPolarHBondContact CA-O 3.49Å; S518-K544 WeakPolarHBondContact O-CA 3.39Å; S518-K544 WeakPolarHBondContact O-CB 3.41Å; S518-K544 PolarHBondContact O-N 2.91Å; S518-E545 PolarHBondContact O-N 3.42Å
519	S	98.6	Very high	96.3	Very high	8 Å²	8	48.6 Å²	48.6	6%	0.056	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	126.4	179.9	-176.5	0	0	0	0	110.9	S492 V493 L494 L517 E545	S492-S519 PolarHBondContact O-N 3.26Å; V493-S519 WeakPolarHBondContact CA-O 3.34Å; L494-S519 PolarHBondContact N-O 3Å; L517-S519 WeakPolarHBondContact CD1-O 3.34Å; S519-E545 WeakPolarHBondContact CA-O 3.48Å; S519-E545 VanDerWaalsContact CB-OE2 3.27Å; S519-E545 WeakPolarHBondContact CB-OE2 3.49Å; S519-E545 PolarHBondContact OG-OE2 3.24Å
520	L	98.6	Very high	96.3	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	118.7	-179.6	178.5	57.5	0	0	0	109.8	L494 V507 V511 L517 L522 I536 L543 E545 L546 Y547	L494-L520 HydrophobicContact CB-CD1 4.16Å; L494-L520 HydrophobicContact CD2-CD1 4.09Å; L494-L520 HydrophobicContact CG-CD1 4.18Å; V507-L520 HydrophobicContact CG1-CD2 4.26Å; V511-L520 HydrophobicContact CG2-CD2 3.8Å; L517-L520 HydrophobicContact CD2-CB 4.19Å; L517-L520 HydrophobicContact CD2-CD1 4.36Å; L517-L520 HydrophobicContact CD2-CD2 4.31Å; L520-L522 HydrophobicContact CD1-CD2 3.99Å; L520-L522 HydrophobicContact CD1-CG 4.21Å; L520-L522 HydrophobicContact CD2-CD1 4.1Å; L520-L522 HydrophobicContact CD2-CG 4.4Å; L520-L522 HydrophobicContact CG-CD1 4.22Å; L520-L522 HydrophobicContact CG-CD2 4.3Å; L520-L522 HydrophobicContact CG-CG 3.99Å; L520-I536 HydrophobicContact CD2-CD1 4.25Å; L520-I536 HydrophobicContact CD2-CG2 4.44Å; L520-L543 HydrophobicContact CB-CD1 3.74Å; L520-L543 HydrophobicContact CB-CD2 4.49Å; L520-E545 PolarHBondContact N-O 3.28Å; L520-L546 HydrophobicContact CB-CD1 4.28Å; L520-L546 HydrophobicContact CD2-CD1 4.26Å; L520-L546 HydrophobicContact CG-CD1 4.3Å; L520-L546 WeakPolarHBondContact O-CA 3.14Å; L520-Y547 PolarHBondContact O-N 3.49Å
521	N	98.1	Very high	96.3	Very high	22 Å²	22	55.2 Å²	55.2	12%	0.118	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	114.8	179.9	-159.6	-36.2	0	0	0	111.3	L494 D495 L496 R497 C523 Y547	L494-N521 PolarHBondContact O-N 2.84Å; D495-N521 HydrophobicContact CB-CB 4.39Å; L496-N521 CarbonylContact C-O 3.26Å; L496-N521 PolarHBondContact N-O 3.37Å; R497-N521 VanDerWaalsContact CD-OD1 3.25Å; R497-N521 WeakPolarHBondContact CD-OD1 3.38Å; R497-N521 HydrophobicContact CG-CB 4.36Å; R497-N521 WeakPolarHBondContact CG-OD1 3.44Å; N521-C523 PolarHBondContact OD1-N 2.83Å; N521-C523 PolarHBondContact OD1-SG 3.27Å; N521-Y547 HydrophobicContact CB-CD2 4.04Å
522	L	97.8	Very high	96.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	24%	0.244	C	C	.	.			trans	-119.7	13.7	-176.5	-60.1	173.8	0	0	0	112.4	L496 L502 V507 L520 N525 I528 I536 Y547 L548 C551	L496-L522 HydrophobicContact CB-CD2 4.36Å; L496-L522 HydrophobicContact CD1-CD2 4.49Å; L502-L522 HydrophobicContact CD2-CD2 3.93Å; V507-L522 HydrophobicContact CG1-CD1 3.86Å; V507-L522 HydrophobicContact CG1-CD2 4.15Å; V507-L522 HydrophobicContact CG2-CD2 4.14Å; L520-L522 HydrophobicContact CD1-CD2 3.99Å; L520-L522 HydrophobicContact CD1-CG 4.21Å; L520-L522 HydrophobicContact CD2-CD1 4.1Å; L520-L522 HydrophobicContact CD2-CG 4.4Å; L520-L522 HydrophobicContact CG-CD1 4.22Å; L520-L522 HydrophobicContact CG-CD2 4.3Å; L520-L522 HydrophobicContact CG-CG 3.99Å; L522-N525 VanDerWaalsContact C-ND2 3.3Å; L522-N525 WeakPolarHBondContact O-CB 3.31Å; L522-N525 PolarHBondContact O-N 2.9Å; L522-N525 PolarHBondContact O-ND2 3.12Å; L522-I528 HydrophobicContact CD1-CG2 4.43Å; L522-I536 HydrophobicContact CD1-CD1 4.01Å; L522-Y547 PolarHBondContact N-O 3.11Å; L522-L548 HydrophobicContact CB-CD2 4.31Å; L522-L548 HydrophobicContact CD1-CD2 4.08Å; L522-C551 PolarHBondContact O-SG 2.77Å
523	C	96.3	Very high	96.5	Very high	11 Å²	11	51.1 Å²	51.1	7%	0.074	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	149.7	-175	-52.4	0	0	0	0	112.8	R497 H498 N521 N525 Y547 V549	R497-C523 CarbonylContact C-O 3.48Å; R497-C523 VanDerWaalsContact CA-O 3.29Å; R497-C523 WeakPolarHBondContact CA-O 3.49Å; R497-C523 HydrophobicContact CG-CB 3.9Å; H498-C523 PolarHBondContact N-O 2.82Å; N521-C523 PolarHBondContact OD1-N 2.83Å; N521-C523 PolarHBondContact OD1-SG 3.27Å; C523-N525 PolarHBondContact O-N 2.9Å; C523-N525 PolarHBondContact O-ND2 3.36Å; C523-Y547 VanDerWaalsContact SG-CB 3.53Å; C523-V549 CarbonylContact C-O 3.57Å; C523-V549 WeakPolarHBondContact CA-O 3.35Å; C523-V549 HydrophobicContact CB-CB 3.82Å; C523-V549 WeakPolarHBondContact CB-O 3.28Å; C523-V549 WeakPolarHBondContact SG-CB 3.22Å; C523-V549 PolarHBondContact SG-N 2.89Å
524	L	93.9	Very high	96.6	Very high	71 Å²	71	48.2 Å²	48.2	37%	0.372	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	10.4	-179	-53.8	164.5	0	0	0	115	H498 V549	H498-L524 HydrophobicContact CB-CB 3.91Å; H498-L524 HydrophobicContact CB-CD1 3.94Å; L524-V549 PolarHBondContact N-O 3.1Å
525	N	93.3	Very high	96.6	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.011	23%	0.226	C	C	.	.			trans	-92.5	97.1	170.9	-63.7	-74.5	0	0	0	110.7	L496 I499 L522 C523 S527 I528 C551	L496-N525 PolarHBondContact O-ND2 3.27Å; I499-N525 PolarHBondContact N-OD1 3.42Å; I499-N525 VanDerWaalsContact N-OD1 3.12Å; I499-N525 PolarHBondContact O-OD1 3.36Å; I499-N525 VanDerWaalsContact O-OD1 3.12Å; L522-N525 VanDerWaalsContact C-ND2 3.3Å; L522-N525 WeakPolarHBondContact O-CB 3.31Å; L522-N525 PolarHBondContact O-N 2.9Å; L522-N525 PolarHBondContact O-ND2 3.12Å; C523-N525 PolarHBondContact O-N 2.9Å; C523-N525 PolarHBondContact O-ND2 3.36Å; N525-S527 PolarHBondContact O-N 3.36Å; N525-I528 HydrophobicContact CB-CG1 3.7Å; N525-I528 PolarHBondContact O-N 3.5Å; N525-C551 PolarHBondContact O-SG 2.92Å
526	W	91.9	Very high	96.9	Very high	197 Å²	197	40.7 Å²	40.7	75%	0.746	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-10	-178.3	-56	-33.6	0	0	0	115	K552	W526-K552 WeakPolarHBondContact O-CB 3.38Å
527	S	93.7	Very high	96.9	Very high	54 Å²	54	35.4 Å²	35.4	38%	0.378	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-20.4	175.4	50.8	0	0	0	0	113.7	L502 N504 N525	L502-S527 VanDerWaalsContact O-CB 3.29Å; L502-S527 WeakPolarHBondContact O-CB 3.15Å; L502-S527 PolarHBondContact O-OG 2.88Å; N504-S527 PolarHBondContact ND2-O 3.1Å; N504-S527 PolarHBondContact OD1-O 3.32Å; N525-S527 PolarHBondContact O-N 3.36Å
528	I	96.3	Very high	96.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.185	C	C	.	.			trans	-73.4	129.1	-176.7	-56.4	-59.4	0	0	0	110.2	L502 N504 V507 L522 N525 C532 V533 L548 C551 K552	L502-I528 HydrophobicContact CD2-CD1 4.5Å; N504-I528 WeakPolarHBondContact OD1-CA 3.17Å; V507-I528 HydrophobicContact CG2-CD1 4.07Å; L522-I528 HydrophobicContact CD1-CG2 4.43Å; N525-I528 HydrophobicContact CB-CG1 3.7Å; N525-I528 PolarHBondContact O-N 3.5Å; I528-C532 HydrophobicContact CG2-CB 4.45Å; I528-V533 HydrophobicContact CG2-CG2 4.29Å; I528-L548 HydrophobicContact CG2-CD2 4.46Å; I528-C551 HydrophobicContact CB-CB 4.23Å; I528-K552 CarbonylContact O-C 3.53Å; I528-K552 PolarHBondContact O-N 3.48Å
529	N	96.4	Very high	96.8	Very high	63 Å²	63	40.4 Å²	40.4	34%	0.337	19%	0.187	S	C	.	.			trans	-128.3	171.8	-173.5	69.6	25.8	0	0	0	113.2	N504 R531 C532 V533	N504-N529 PolarHBondContact ND2-ND2 3.36Å; N504-N529 PolarHBondContact OD1-N 2.93Å; N529-R531 VanDerWaalsContact C-N 3.31Å; N529-R531 PolarHBondContact O-N 3.34Å; N529-R531 PolarHBondContact OD1-N 3.47Å; N529-C532 VanDerWaalsContact O-CB 3.31Å; N529-C532 WeakPolarHBondContact O-CB 3.35Å; N529-C532 PolarHBondContact O-N 3.42Å; N529-C532 PolarHBondContact OD1-N 2.85Å; N529-V533 PolarHBondContact O-N 3.23Å
530	D	98.1	Very high	96.6	Very high	31 Å²	31	40.3 Å²	40.3	17%	0.166	19%	0.188	C	C	.	.	H	α-helix	trans	-59	-37.9	-174.7	-54.7	-25.9	0	0	0	113.5	C532 V533 E534 I553 T554 H556 A557	D530-C532 VanDerWaalsContact C-N 3.31Å; D530-C532 PolarHBondContact O-N 3.37Å; D530-V533 PolarHBondContact O-N 3.5Å; D530-E534 WeakPolarHBondContact O-CB 3.26Å; D530-E534 PolarHBondContact O-N 2.54Å; D530-I553 WeakPolarHBondContact OD1-CA 3.28Å; D530-I553 WeakPolarHBondContact OD1-CB 3.43Å; D530-T554 PolarHBondContact OD1-N 3.23Å; D530-T554 WeakPolarHBondContact OD2-CB 3.43Å; D530-T554 WeakPolarHBondContact OD2-CG2 3.46Å; D530-T554 PolarHBondContact OD2-OG1 2.95Å; D530-H556 HydrophobicContact CB-CB 4.12Å; D530-A557 HydrophobicContact CB-CB 4.36Å; D530-A557 WeakPolarHBondContact OD1-CB 3.29Å
531	R	97.9	Very high	96.2	Very high	164 Å²	164	50.2 Å²	50.2	62%	0.619	23%	0.225	S	C	*	.	H	α-helix	trans	-63.7	-37.9	177.1	177.1	177.4	169.6	-173.3	-6.7	111.6	N529 I535	N529-R531 VanDerWaalsContact C-N 3.31Å; N529-R531 PolarHBondContact O-N 3.34Å; N529-R531 PolarHBondContact OD1-N 3.47Å; R531-I535 VanDerWaalsContact O-CG1 3.31Å; R531-I535 WeakPolarHBondContact O-CG1 3.25Å; R531-I535 PolarHBondContact O-N 3.09Å
532	C	98.2	Very high	96.1	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-48.6	174.3	-168.9	0	0	0	0	110.5	N504 I528 N529 D530 E534 I535 I536	N504-C532 HydrophobicContact CB-CB 3.86Å; N504-C532 WeakPolarHBondContact OD1-CB 3.49Å; I528-C532 HydrophobicContact CG2-CB 4.45Å; N529-C532 VanDerWaalsContact O-CB 3.31Å; N529-C532 WeakPolarHBondContact O-CB 3.35Å; N529-C532 PolarHBondContact O-N 3.42Å; N529-C532 PolarHBondContact OD1-N 2.85Å; D530-C532 VanDerWaalsContact C-N 3.31Å; D530-C532 PolarHBondContact O-N 3.37Å; C532-E534 VanDerWaalsContact C-N 3.34Å; C532-E534 PolarHBondContact O-N 3.09Å; C532-I535 PolarHBondContact O-N 3.42Å; C532-I536 VanDerWaalsContact O-CG1 3.23Å; C532-I536 WeakPolarHBondContact O-CG1 3.44Å; C532-I536 PolarHBondContact O-N 3.37Å
533	V	98.4	Very high	96.1	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.4	-38.3	179.4	-179.2	0	0	0	0	112.3	I528 N529 D530 I535 I536 A537 L546 L548 I553 A557 I561	I528-V533 HydrophobicContact CG2-CG2 4.29Å; N529-V533 PolarHBondContact O-N 3.23Å; D530-V533 PolarHBondContact O-N 3.5Å; V533-I535 VanDerWaalsContact C-N 3.35Å; V533-I535 PolarHBondContact O-N 2.84Å; V533-I536 PolarHBondContact O-N 3.09Å; V533-A537 WeakPolarHBondContact O-CB 3.22Å; V533-A537 PolarHBondContact O-N 2.61Å; V533-L546 HydrophobicContact CG1-CD2 4.39Å; V533-L548 HydrophobicContact CG1-CD1 4.13Å; V533-L548 HydrophobicContact CG2-CD1 3.97Å; V533-L548 HydrophobicContact CG2-CD2 4.1Å; V533-I553 HydrophobicContact CG2-CG2 4.03Å; V533-A557 HydrophobicContact CB-CB 3.94Å; V533-A557 HydrophobicContact CG1-CB 3.91Å; V533-A557 HydrophobicContact CG2-CB 4.24Å; V533-I561 HydrophobicContact CG1-CD1 3.57Å; V533-I561 HydrophobicContact CG1-CG1 3.69Å
534	E	98.3	Very high	96.2	Very high	40 Å²	40	55 Å²	55	19%	0.187	25%	0.248	C	C	.	.	H	α-helix	trans	-59.2	-44.2	173.6	-177.7	-169.2	162.4	0	0	112.1	D530 C532 A537 K538 H556 A560 Y564	D530-E534 WeakPolarHBondContact O-CB 3.26Å; D530-E534 PolarHBondContact O-N 2.54Å; C532-E534 VanDerWaalsContact C-N 3.34Å; C532-E534 PolarHBondContact O-N 3.09Å; E534-A537 PolarHBondContact O-N 3.09Å; E534-K538 HydrophobicContact CG-CD 4.24Å; E534-K538 WeakPolarHBondContact O-CG 3.49Å; E534-K538 PolarHBondContact O-N 2.78Å; E534-K538 IonicContact OE1-NZ 2.64Å; E534-K538 PolarHBondContact OE1-NZ 3.47Å; E534-H556 IonicContact OE2-CE1 3.54Å; E534-A560 HydrophobicContact CB-CB 3.81Å; E534-A560 HydrophobicContact CG-CB 3.92Å; E534-Y564 HydrophobicContact CG-CD2 4.11Å; E534-Y564 HydrophobicContact CG-CE2 3.87Å
535	I	98.1	Very high	96.4	Very high	34 Å²	34	54.9 Å²	54.9	17%	0.174	25%	0.246	C	C	.	.	H	α-helix	trans	-70.6	-38.9	177.6	-66.6	-64.6	0	0	0	111.2	M508 R531 C532 V533 A537 K538 E539	M508-I535 HydrophobicContact CB-CG2 3.88Å; M508-I535 HydrophobicContact CG-CB 3.89Å; M508-I535 HydrophobicContact CG-CG2 3.6Å; M508-I535 HydrophobicContact SD-CB 3.52Å; M508-I535 VanDerWaalsContact SD-CB 3.52Å; M508-I535 HydrophobicContact SD-CG1 3.63Å; M508-I535 HydrophobicContact SD-CG2 3.6Å; R531-I535 VanDerWaalsContact O-CG1 3.31Å; R531-I535 WeakPolarHBondContact O-CG1 3.25Å; R531-I535 PolarHBondContact O-N 3.09Å; C532-I535 PolarHBondContact O-N 3.42Å; V533-I535 VanDerWaalsContact C-N 3.35Å; V533-I535 PolarHBondContact O-N 2.84Å; I535-A537 VanDerWaalsContact C-N 3.29Å; I535-A537 PolarHBondContact O-N 2.62Å; I535-K538 PolarHBondContact O-N 3.28Å; I535-E539 HydrophobicContact CG2-CG 4.32Å; I535-E539 WeakPolarHBondContact CG2-OE2 3.33Å; I535-E539 WeakPolarHBondContact O-CB 3.27Å; I535-E539 PolarHBondContact O-N 3.03Å
536	I	98.1	Very high	96.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.1	-44.3	171.7	-66.5	166.6	0	0	0	110.3	V507 V511 L520 L522 C532 V533 G540 L543 L546	V507-I536 HydrophobicContact CG1-CD1 3.82Å; V507-I536 HydrophobicContact CG1-CG1 4.41Å; V511-I536 HydrophobicContact CG2-CG1 4.13Å; V511-I536 HydrophobicContact CG2-CG2 4.4Å; L520-I536 HydrophobicContact CD2-CD1 4.25Å; L520-I536 HydrophobicContact CD2-CG2 4.44Å; L522-I536 HydrophobicContact CD1-CD1 4.01Å; C532-I536 VanDerWaalsContact O-CG1 3.23Å; C532-I536 WeakPolarHBondContact O-CG1 3.44Å; C532-I536 PolarHBondContact O-N 3.37Å; V533-I536 PolarHBondContact O-N 3.09Å; I536-G540 VanDerWaalsContact O-CA 3.31Å; I536-G540 WeakPolarHBondContact O-CA 2.97Å; I536-G540 PolarHBondContact O-N 3.34Å; I536-L543 HydrophobicContact CG2-CD2 3.5Å; I536-L543 VanDerWaalsContact CG2-CD2 3.5Å; I536-L546 HydrophobicContact CG2-CD1 4.39Å; I536-L546 HydrophobicContact CG2-CD2 4.02Å
537	A	97.2	Very high	96.9	Very high	5 Å²	5	48.1 Å²	48.1	4%	0.041	22%	0.221	C	C	.	.	H	α-helix	trans	-66.2	-38.5	177.9	0	0	0	0	0	113.1	V533 E534 I535 I561	V533-A537 WeakPolarHBondContact O-CB 3.22Å; V533-A537 PolarHBondContact O-N 2.61Å; E534-A537 PolarHBondContact O-N 3.09Å; I535-A537 VanDerWaalsContact C-N 3.29Å; I535-A537 PolarHBondContact O-N 2.62Å; A537-I561 HydrophobicContact CB-CG1 4.31Å
538	K	96.8	Very high	97	Very high	84 Å²	84	45.5 Å²	45.5	37%	0.365	20%	0.203	S	C	.	.	H	α-helix	trans	-73.8	-36.8	179	-75.9	174.7	175.4	176.2	0	114	E534 I535 Y564	E534-K538 HydrophobicContact CG-CD 4.24Å; E534-K538 WeakPolarHBondContact O-CG 3.49Å; E534-K538 PolarHBondContact O-N 2.78Å; E534-K538 IonicContact OE1-NZ 2.64Å; E534-K538 PolarHBondContact OE1-NZ 3.47Å; I535-K538 PolarHBondContact O-N 3.28Å; K538-Y564 HydrophobicContact CD-CD1 4.43Å; K538-Y564 HydrophobicContact CD-CD2 4.3Å; K538-Y564 HydrophobicContact CD-CG 4.27Å; K538-Y564 VanDerWaalsContact CE-CD1 3.45Å; K538-Y564 VanDerWaalsContact CE-CD2 3.42Å; K538-Y564 HydrophobicContact CG-CD1 4.03Å; K538-Y564 HydrophobicContact CG-CD2 3.97Å; K538-Y564 HydrophobicContact CG-CG 3.63Å; K538-Y564 PolarHBondContact NZ-OH 3.33Å
539	E	96.6	Very high	97	Very high	61 Å²	61	46.7 Å²	46.7	29%	0.285	21%	0.21	S	C	.	.	H	α-helix	trans	-106.7	-19	-169.9	-62	-179.3	146.5	0	0	113.4	V511 R512 I535 R541	V511-E539 HydrophobicContact CG1-CB 4.47Å; R512-E539 WeakPolarHBondContact CD-OE2 3.37Å; R512-E539 HydrophobicContact CG-CB 4.44Å; R512-E539 WeakPolarHBondContact CG-OE2 3.38Å; R512-E539 IonicContact CZ-OE1 2.96Å; R512-E539 IonicContact CZ-OE2 2.81Å; R512-E539 VanDerWaalsContact NE-CD 3.32Å; R512-E539 IonicContact NE-OE1 3.06Å; R512-E539 PolarHBondContact NE-OE1 3.35Å; R512-E539 VanDerWaalsContact NE-OE1 3.11Å; R512-E539 IonicContact NE-OE2 3.76Å; R512-E539 PolarHBondContact NE-OE2 3.47Å; R512-E539 IonicContact NH2-OE1 2.66Å; R512-E539 IonicContact NH2-OE2 3.77Å; R512-E539 PolarHBondContact NH2-OE2 3.12Å; I535-E539 HydrophobicContact CG2-CG 4.32Å; I535-E539 WeakPolarHBondContact CG2-OE2 3.33Å; I535-E539 WeakPolarHBondContact O-CB 3.27Å; I535-E539 PolarHBondContact O-N 3.03Å; E539-R541 VanDerWaalsContact C-N 3.28Å; E539-R541 PolarHBondContact O-N 3.43Å
540	G	94.4	Very high	96.8	Very high	7 Å²	7	45 Å²	45	7%	0.072	20%	0.203	C	C	.	.			trans	-75.9	61.9	-178.6	0	0	0	0	0	114.9	V511 I536 S542 L543 T567	V511-G540 VanDerWaalsContact CG1-CA 3.44Å; I536-G540 VanDerWaalsContact O-CA 3.31Å; I536-G540 WeakPolarHBondContact O-CA 2.97Å; I536-G540 PolarHBondContact O-N 3.34Å; G540-S542 PolarHBondContact O-N 2.71Å; G540-L543 WeakPolarHBondContact O-CB 3.49Å; G540-L543 PolarHBondContact O-N 3.25Å; G540-T567 PolarHBondContact O-OG1 3.3Å
541	R	90.6	Very high	96.7	Very high	209 Å²	209	43.9 Å²	43.9	79%	0.789	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-11.8	-171.9	-64.6	174.3	-172.1	-89.4	-4.1	117.2	E539	E539-R541 VanDerWaalsContact C-N 3.28Å; E539-R541 PolarHBondContact O-N 3.43Å
542	S	95.6	Very high	96.4	Very high	38 Å²	38	43.4 Å²	43.4	27%	0.266	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.3	3.9	178.6	52.7	0	0	0	0	112.8	R515 L517 S518 G540 K544	R515-S542 PolarHBondContact O-OG 3Å; L517-S542 PolarHBondContact N-OG 3.33Å; L517-S542 CarbonylContact O-C 3.54Å; L517-S542 PolarHBondContact O-OG 3.17Å; S518-S542 WeakPolarHBondContact CA-O 3.49Å; G540-S542 PolarHBondContact O-N 2.71Å; S542-K544 PolarHBondContact O-N 3.29Å
543	L	97.9	Very high	96.4	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	20%	0.2	C	C	.	.			trans	-73.8	123.9	-174.6	-167.7	68.7	0	0	0	109.9	L517 L520 I536 G540 L546 T567 I568	L517-L543 HydrophobicContact CD2-CD1 4.47Å; L517-L543 HydrophobicContact CG-CD1 4.21Å; L517-L543 VanDerWaalsContact O-CA 3.24Å; L517-L543 WeakPolarHBondContact O-CA 3.48Å; L517-L543 PolarHBondContact O-N 3.12Å; L520-L543 HydrophobicContact CB-CD1 3.74Å; L520-L543 HydrophobicContact CB-CD2 4.49Å; I536-L543 HydrophobicContact CG2-CD2 3.5Å; I536-L543 VanDerWaalsContact CG2-CD2 3.5Å; G540-L543 WeakPolarHBondContact O-CB 3.49Å; G540-L543 PolarHBondContact O-N 3.25Å; L543-L546 HydrophobicContact CD2-CB 4.3Å; L543-L546 HydrophobicContact CD2-CD1 4.37Å; L543-L546 HydrophobicContact CD2-CD2 4.43Å; L543-T567 CarbonylContact O-C 3.58Å; L543-T567 WeakPolarHBondContact O-CB 3.19Å; L543-T567 PolarHBondContact O-OG1 3.42Å; L543-I568 HydrophobicContact CB-CG1 4.31Å; L543-I568 HydrophobicContact CD2-CD1 4.12Å; L543-I568 HydrophobicContact CD2-CG1 4.39Å; L543-I568 HydrophobicContact CG-CG1 4.31Å; L543-I568 WeakPolarHBondContact O-CA 3.46Å; L543-I568 VanDerWaalsContact O-CG1 3.3Å; L543-I568 WeakPolarHBondContact O-CG1 3.26Å; L543-I568 PolarHBondContact O-N 3.45Å
544	K	97.8	Very high	96.4	Very high	93 Å²	93	45.8 Å²	45.8	40%	0.404	21%	0.214	S	C	.	.			trans	-108.1	-38.3	178.6	-69.9	176.1	171	-92.9	0	111.9	S518 S542 E569 T570	S518-K544 WeakPolarHBondContact O-CA 3.39Å; S518-K544 WeakPolarHBondContact O-CB 3.41Å; S518-K544 PolarHBondContact O-N 2.91Å; S542-K544 PolarHBondContact O-N 3.29Å; K544-E569 IonicContact NZ-OE1 3.1Å; K544-E569 PolarHBondContact NZ-OE1 3.1Å; K544-E569 PolarHBondContact O-N 3.46Å; K544-T570 PolarHBondContact O-N 2.93Å
545	E	98.3	Very high	96.3	Very high	69 Å²	69	45 Å²	45	32%	0.322	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.2	-175.7	-57.1	170.9	-176.1	0	0	110.6	S518 S519 L520 Y547 T570	S518-E545 PolarHBondContact O-N 3.42Å; S519-E545 WeakPolarHBondContact CA-O 3.48Å; S519-E545 VanDerWaalsContact CB-OE2 3.27Å; S519-E545 WeakPolarHBondContact CB-OE2 3.49Å; S519-E545 PolarHBondContact OG-OE2 3.24Å; L520-E545 PolarHBondContact N-O 3.28Å; E545-Y547 HydrophobicContact CB-CE2 3.72Å; E545-Y547 PolarHBondContact OE2-OH 3.05Å; E545-T570 WeakPolarHBondContact CA-O 3.4Å
546	L	98.4	Very high	96.3	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	110.7	178.9	-179.4	55	0	0	0	110.3	L520 V533 I536 L543 L548 I561 I568 T570 V571 D572	L520-L546 HydrophobicContact CB-CD1 4.28Å; L520-L546 HydrophobicContact CD2-CD1 4.26Å; L520-L546 HydrophobicContact CG-CD1 4.3Å; L520-L546 WeakPolarHBondContact O-CA 3.14Å; V533-L546 HydrophobicContact CG1-CD2 4.39Å; I536-L546 HydrophobicContact CG2-CD1 4.39Å; I536-L546 HydrophobicContact CG2-CD2 4.02Å; L543-L546 HydrophobicContact CD2-CB 4.3Å; L543-L546 HydrophobicContact CD2-CD1 4.37Å; L543-L546 HydrophobicContact CD2-CD2 4.43Å; L546-L548 HydrophobicContact CD1-CD2 3.97Å; L546-L548 HydrophobicContact CD1-CG 4.21Å; L546-L548 HydrophobicContact CD2-CD1 4.06Å; L546-L548 HydrophobicContact CG-CD1 3.98Å; L546-L548 HydrophobicContact CG-CD2 4.24Å; L546-L548 HydrophobicContact CG-CG 3.95Å; L546-I561 HydrophobicContact CD2-CD1 4.06Å; L546-I561 HydrophobicContact CD2-CG1 4.42Å; L546-I568 HydrophobicContact CD2-CD1 4.15Å; L546-T570 PolarHBondContact N-O 3.36Å; L546-V571 WeakPolarHBondContact O-CA 3.42Å; L546-D572 PolarHBondContact O-N 2.91Å
547	Y	97.9	Very high	96.3	Very high	57 Å²	57	48 Å²	48	22%	0.224	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.5	-179.5	-52.2	-92.2	0	0	0	110.4	L520 N521 L522 C523 E545 T570 D572	L520-Y547 PolarHBondContact O-N 3.49Å; N521-Y547 HydrophobicContact CB-CD2 4.04Å; L522-Y547 PolarHBondContact N-O 3.11Å; C523-Y547 VanDerWaalsContact SG-CB 3.53Å; E545-Y547 HydrophobicContact CB-CE2 3.72Å; E545-Y547 PolarHBondContact OE2-OH 3.05Å; Y547-T570 HydrophobicContact CE1-CG2 4.3Å; Y547-D572 HydrophobicContact CD1-CB 3.78Å; Y547-D572 HydrophobicContact CE1-CB 4.48Å
548	L	96.9	Very high	96.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.222	C	C	.	.			trans	-128.1	19.3	-170.8	-61.3	170.6	0	0	0	111.7	L522 I528 V533 L546 S550 C551 I553 I561 D572 C576	L522-L548 HydrophobicContact CB-CD2 4.31Å; L522-L548 HydrophobicContact CD1-CD2 4.08Å; I528-L548 HydrophobicContact CG2-CD2 4.46Å; V533-L548 HydrophobicContact CG1-CD1 4.13Å; V533-L548 HydrophobicContact CG2-CD1 3.97Å; V533-L548 HydrophobicContact CG2-CD2 4.1Å; L546-L548 HydrophobicContact CD1-CD2 3.97Å; L546-L548 HydrophobicContact CD1-CG 4.21Å; L546-L548 HydrophobicContact CD2-CD1 4.06Å; L546-L548 HydrophobicContact CG-CD1 3.98Å; L546-L548 HydrophobicContact CG-CD2 4.24Å; L546-L548 HydrophobicContact CG-CG 3.95Å; L548-S550 PolarHBondContact O-N 2.91Å; L548-C551 HydrophobicContact CB-CB 4.34Å; L548-C551 WeakPolarHBondContact O-CB 3.43Å; L548-C551 PolarHBondContact O-N 3.22Å; L548-C551 PolarHBondContact O-SG 3.49Å; L548-I553 HydrophobicContact CB-CD1 3.91Å; L548-I553 HydrophobicContact CD1-CD1 3.87Å; L548-I553 HydrophobicContact CG-CD1 4.47Å; L548-I561 HydrophobicContact CD1-CD1 4.37Å; L548-D572 CarbonylContact C-O 3.11Å; L548-D572 WeakPolarHBondContact CA-O 3.43Å; L548-D572 PolarHBondContact N-O 2.84Å; L548-C576 PolarHBondContact O-SG 2.69Å; L548-C576 VanDerWaalsContact O-SG 3.32Å
549	V	94.8	Very high	96.2	Very high	25 Å²	25	44.9 Å²	44.9	15%	0.152	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	126.9	-173.5	178	0	0	0	0	110.7	C523 L524 C551 D572 G574 W575	C523-V549 CarbonylContact C-O 3.57Å; C523-V549 WeakPolarHBondContact CA-O 3.35Å; C523-V549 HydrophobicContact CB-CB 3.82Å; C523-V549 WeakPolarHBondContact CB-O 3.28Å; C523-V549 WeakPolarHBondContact SG-CB 3.22Å; C523-V549 PolarHBondContact SG-N 2.89Å; L524-V549 PolarHBondContact N-O 3.1Å; V549-C551 VanDerWaalsContact C-N 3.26Å; V549-C551 PolarHBondContact O-N 2.84Å; V549-D572 HydrophobicContact CG2-CB 4.15Å; V549-D572 WeakPolarHBondContact CG2-OD1 3.46Å; V549-D572 WeakPolarHBondContact CG2-OD2 3.28Å; V549-D572 PolarHBondContact N-O 3.36Å; V549-G574 CarbonylContact C-O 3.59Å; V549-G574 WeakPolarHBondContact CA-O 3.28Å; V549-G574 WeakPolarHBondContact CG1-O 3.38Å; V549-W575 HydrophobicContact CG1-CB 4.49Å
550	S	93.4	Very high	96.3	Very high	28 Å²	28	42.1 Å²	42.1	20%	0.196	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	21.7	-174.1	-49.2	0	0	0	0	115.6	L548 G574 W575	L548-S550 PolarHBondContact O-N 2.91Å; S550-G574 PolarHBondContact N-O 3.39Å; S550-W575 WeakPolarHBondContact OG-CB 3.38Å
551	C	94.6	Very high	96.4	Very high	6 Å²	6	41.8 Å²	41.8	4%	0.041	20%	0.195	C	C	.	.			trans	-74.8	157.9	166.4	-71	0	0	0	0	111.4	L522 N525 I528 L548 V549 I553 C576	L522-C551 PolarHBondContact O-SG 2.77Å; N525-C551 PolarHBondContact O-SG 2.92Å; I528-C551 HydrophobicContact CB-CB 4.23Å; L548-C551 HydrophobicContact CB-CB 4.34Å; L548-C551 WeakPolarHBondContact O-CB 3.43Å; L548-C551 PolarHBondContact O-N 3.22Å; L548-C551 PolarHBondContact O-SG 3.49Å; V549-C551 VanDerWaalsContact C-N 3.26Å; V549-C551 PolarHBondContact O-N 2.84Å; C551-I553 VanDerWaalsContact C-N 3.26Å; C551-I553 HydrophobicContact CB-CG1 4.29Å; C551-I553 HydrophobicContact CB-CG2 4.19Å; C551-I553 PolarHBondContact O-N 3.19Å; C551-I553 VanDerWaalsContact O-N 3.09Å; C551-C576 PolarHBondContact O-SG 2.92Å
552	K	93.3	Very high	96.6	Very high	154 Å²	154	32 Å²	32	67%	0.67	16%	0.159	S	C	*	.	S	Bend	trans	-89.8	65	-179.6	-165.2	-172.8	174.9	-176.4	0	110.7	W526 I528	W526-K552 WeakPolarHBondContact O-CB 3.38Å; I528-K552 CarbonylContact O-C 3.53Å; I528-K552 PolarHBondContact O-N 3.48Å
553	I	97.3	Very high	96.6	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	17%	0.171	C	C	.	.			trans	-114.6	156.7	-177.1	56.9	167.5	0	0	0	112	D530 V533 L548 C551 A557 A573 C576 I579	D530-I553 WeakPolarHBondContact OD1-CA 3.28Å; D530-I553 WeakPolarHBondContact OD1-CB 3.43Å; V533-I553 HydrophobicContact CG2-CG2 4.03Å; L548-I553 HydrophobicContact CB-CD1 3.91Å; L548-I553 HydrophobicContact CD1-CD1 3.87Å; L548-I553 HydrophobicContact CG-CD1 4.47Å; C551-I553 VanDerWaalsContact C-N 3.26Å; C551-I553 HydrophobicContact CB-CG1 4.29Å; C551-I553 HydrophobicContact CB-CG2 4.19Å; C551-I553 PolarHBondContact O-N 3.19Å; C551-I553 VanDerWaalsContact O-N 3.09Å; I553-A557 HydrophobicContact CB-CB 3.86Å; I553-A557 HydrophobicContact CD1-CB 4.25Å; I553-A557 HydrophobicContact CG2-CB 4.16Å; I553-A573 HydrophobicContact CD1-CB 4.2Å; I553-C576 HydrophobicContact CD1-CB 4.48Å; I553-C576 HydrophobicContact CG1-CB 4Å; I553-C576 VanDerWaalsContact CG1-SG 3.53Å; I553-I579 HydrophobicContact CD1-CD1 4.07Å; I553-I579 HydrophobicContact CG1-CD1 4.3Å
554	T	97.6	Very high	96.5	Very high	50 Å²	50	40.3 Å²	40.3	31%	0.307	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-118.3	-178.9	178.3	77.8	0	0	0	0	111.2	D530 H556 A557 D578	D530-T554 PolarHBondContact OD1-N 3.23Å; D530-T554 WeakPolarHBondContact OD2-CB 3.43Å; D530-T554 WeakPolarHBondContact OD2-CG2 3.46Å; D530-T554 PolarHBondContact OD2-OG1 2.95Å; T554-H556 PolarHBondContact O-N 2.72Å; T554-H556 VanDerWaalsContact O-N 3.08Å; T554-H556 PolarHBondContact OG1-N 2.87Å; T554-A557 WeakPolarHBondContact O-CB 3.39Å; T554-A557 PolarHBondContact O-N 3.42Å; T554-D578 HydrophobicContact CG2-CB 4.07Å
555	D	96.7	Very high	96.4	Very high	22 Å²	22	36.3 Å²	36.3	12%	0.118	17%	0.174	C	C	.	.	H	α-helix	trans	-49.1	-31.6	171.4	-66.8	-31.6	0	0	0	113.8	A557 L558 I559 I579 T580 G583	D555-A557 PolarHBondContact O-N 3.5Å; D555-L558 PolarHBondContact O-N 3.35Å; D555-L558 VanDerWaalsContact O-N 3.13Å; D555-I559 HydrophobicContact CB-CD1 4.22Å; D555-I559 WeakPolarHBondContact O-CB 3.42Å; D555-I559 WeakPolarHBondContact O-CD1 3.44Å; D555-I559 WeakPolarHBondContact O-CG1 3.36Å; D555-I559 PolarHBondContact O-N 2.94Å; D555-I579 WeakPolarHBondContact OD1-CA 3.33Å; D555-T580 PolarHBondContact OD1-N 3.04Å; D555-T580 WeakPolarHBondContact OD2-CB 3.43Å; D555-T580 WeakPolarHBondContact OD2-CG2 3.29Å; D555-T580 PolarHBondContact OD2-OG1 3.43Å; D555-G583 VanDerWaalsContact CG-N 3.34Å; D555-G583 VanDerWaalsContact OD1-CA 3.27Å; D555-G583 WeakPolarHBondContact OD1-CA 3.25Å; D555-G583 PolarHBondContact OD1-N 3.09Å
556	H	97.9	Very high	96.2	Very high	97 Å²	97	37.7 Å²	37.7	45%	0.449	19%	0.191	S	C	.	.	H	α-helix	trans	-59.5	-33.1	178.3	-169.6	-76.8	0	0	0	112.6	D530 E534 T554 A560	D530-H556 HydrophobicContact CB-CB 4.12Å; E534-H556 IonicContact OE2-CE1 3.54Å; T554-H556 PolarHBondContact O-N 2.72Å; T554-H556 VanDerWaalsContact O-N 3.08Å; T554-H556 PolarHBondContact OG1-N 2.87Å; H556-A560 WeakPolarHBondContact O-CB 3.25Å; H556-A560 PolarHBondContact O-N 2.73Å
557	A	98.1	Very high	96.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.2	-45.1	175.5	0	0	0	0	0	112	D530 V533 I553 T554 D555 A560 I561	D530-A557 HydrophobicContact CB-CB 4.36Å; D530-A557 WeakPolarHBondContact OD1-CB 3.29Å; V533-A557 HydrophobicContact CB-CB 3.94Å; V533-A557 HydrophobicContact CG1-CB 3.91Å; V533-A557 HydrophobicContact CG2-CB 4.24Å; I553-A557 HydrophobicContact CB-CB 3.86Å; I553-A557 HydrophobicContact CD1-CB 4.25Å; I553-A557 HydrophobicContact CG2-CB 4.16Å; T554-A557 WeakPolarHBondContact O-CB 3.39Å; T554-A557 PolarHBondContact O-N 3.42Å; D555-A557 PolarHBondContact O-N 3.5Å; A557-A560 PolarHBondContact O-N 2.76Å; A557-I561 WeakPolarHBondContact O-CG1 3.31Å; A557-I561 PolarHBondContact O-N 2.77Å
558	L	96.5	Very high	96	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67	-44.5	178.2	-65.6	-170.9	0	0	0	111.6	D555 A560 I561 G562 V571 A573 I579 I587 L599	D555-L558 PolarHBondContact O-N 3.35Å; D555-L558 VanDerWaalsContact O-N 3.13Å; L558-A560 VanDerWaalsContact C-N 3.32Å; L558-A560 PolarHBondContact O-N 3.01Å; L558-I561 HydrophobicContact CD2-CD1 4.47Å; L558-I561 PolarHBondContact O-N 2.92Å; L558-G562 PolarHBondContact O-N 3.33Å; L558-V571 HydrophobicContact CD2-CG1 4.06Å; L558-A573 HydrophobicContact CD2-CB 4.2Å; L558-I579 HydrophobicContact CD1-CD1 4.03Å; L558-I579 HydrophobicContact CD1-CG1 4.47Å; L558-I579 HydrophobicContact CD1-CG2 3.58Å; L558-I579 HydrophobicContact CD2-CD1 4.41Å; L558-I579 HydrophobicContact CG-CD1 4.13Å; L558-I587 HydrophobicContact CB-CB 4.07Å; L558-I587 HydrophobicContact CB-CD1 4.17Å; L558-I587 HydrophobicContact CB-CG2 4.23Å; L558-I587 HydrophobicContact CD1-CG2 4.39Å; L558-I587 HydrophobicContact CD2-CD1 4.08Å; L558-I587 WeakPolarHBondContact O-CB 3.47Å; L558-I587 WeakPolarHBondContact O-CD1 3.43Å; L558-I587 VanDerWaalsContact O-CG1 3.31Å; L558-I587 WeakPolarHBondContact O-CG1 3.22Å; L558-L599 HydrophobicContact CD1-CD2 4.25Å
559	I	96.1	Very high	95.9	Very high	25 Å²	25	39.1 Å²	39.1	13%	0.128	20%	0.203	C	C	.	.	H	α-helix	trans	-58.4	-45.5	176.1	-66.5	165.1	0	0	0	110.3	D555 I561 G562 Q563 Q586	D555-I559 HydrophobicContact CB-CD1 4.22Å; D555-I559 WeakPolarHBondContact O-CB 3.42Å; D555-I559 WeakPolarHBondContact O-CD1 3.44Å; D555-I559 WeakPolarHBondContact O-CG1 3.36Å; D555-I559 PolarHBondContact O-N 2.94Å; I559-I561 PolarHBondContact O-N 3.33Å; I559-G562 PolarHBondContact O-N 3.41Å; I559-Q563 HydrophobicContact CG2-CG 4.24Å; I559-Q563 VanDerWaalsContact CG2-NE2 3.3Å; I559-Q563 WeakPolarHBondContact O-CB 3.49Å; I559-Q563 VanDerWaalsContact O-CG 3.3Å; I559-Q563 WeakPolarHBondContact O-CG 3.4Å; I559-Q563 PolarHBondContact O-N 3.41Å; I559-Q586 HydrophobicContact CD1-CB 4.47Å; I559-Q586 HydrophobicContact CG1-CB 3.78Å; I559-Q586 HydrophobicContact CG1-CG 4.44Å
560	A	97.8	Very high	95.9	Very high	2 Å²	2	39.3 Å²	39.3	2%	0.017	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-37.9	177.3	0	0	0	0	0	113	E534 H556 A557 L558 Y564	E534-A560 HydrophobicContact CB-CB 3.81Å; E534-A560 HydrophobicContact CG-CB 3.92Å; H556-A560 WeakPolarHBondContact O-CB 3.25Å; H556-A560 PolarHBondContact O-N 2.73Å; A557-A560 PolarHBondContact O-N 2.76Å; L558-A560 VanDerWaalsContact C-N 3.32Å; L558-A560 PolarHBondContact O-N 3.01Å; A560-Y564 HydrophobicContact CB-CD2 3.95Å; A560-Y564 HydrophobicContact CB-CE2 4.1Å; A560-Y564 WeakPolarHBondContact O-CB 3.15Å; A560-Y564 WeakPolarHBondContact O-CD2 3.39Å; A560-Y564 PolarHBondContact O-N 3.45Å
561	I	97.2	Very high	96	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.8	-51.2	173.5	-69.6	158.5	0	0	0	110.4	V533 A537 L546 L548 A557 L558 I559 Q563 S565 I568 V571 I587	V533-I561 HydrophobicContact CG1-CD1 3.57Å; V533-I561 HydrophobicContact CG1-CG1 3.69Å; A537-I561 HydrophobicContact CB-CG1 4.31Å; L546-I561 HydrophobicContact CD2-CD1 4.06Å; L546-I561 HydrophobicContact CD2-CG1 4.42Å; L548-I561 HydrophobicContact CD1-CD1 4.37Å; A557-I561 WeakPolarHBondContact O-CG1 3.31Å; A557-I561 PolarHBondContact O-N 2.77Å; L558-I561 HydrophobicContact CD2-CD1 4.47Å; L558-I561 PolarHBondContact O-N 2.92Å; I559-I561 PolarHBondContact O-N 3.33Å; I561-Q563 PolarHBondContact O-N 2.91Å; I561-S565 VanDerWaalsContact O-CB 3.26Å; I561-S565 WeakPolarHBondContact O-CB 3.32Å; I561-S565 PolarHBondContact O-N 3.08Å; I561-I568 HydrophobicContact CG2-CB 4.39Å; I561-I568 HydrophobicContact CG2-CD1 4.08Å; I561-I568 HydrophobicContact CG2-CG2 4.24Å; I561-V571 HydrophobicContact CD1-CG1 4.21Å; I561-V571 HydrophobicContact CD1-CG2 4.22Å; I561-V571 HydrophobicContact CG2-CG2 4.03Å; I561-I587 HydrophobicContact CB-CD1 3.97Å; I561-I587 HydrophobicContact CG2-CD1 3.86Å
562	G	94.7	Very high	95.9	Very high	4 Å²	4	39 Å²	39	4%	0.041	20%	0.199	C	C	.	.	H	α-helix	trans	-68.6	-32.1	-177.2	0	0	0	0	0	114.3	L558 I559 S590	L558-G562 PolarHBondContact O-N 3.33Å; I559-G562 PolarHBondContact O-N 3.41Å; G562-S590 VanDerWaalsContact C-OG 3.28Å; G562-S590 WeakPolarHBondContact CA-OG 3.15Å; G562-S590 CarbonylContact O-C 3.43Å
563	Q	95.6	Very high	96	Very high	111 Å²	111	31.6 Å²	31.6	52%	0.519	17%	0.167	S	C	.	.	H	α-helix	trans	-77.9	-38.7	177.9	-72.9	179.7	-0.9	0	0	113.9	I559 I561	I559-Q563 HydrophobicContact CG2-CG 4.24Å; I559-Q563 VanDerWaalsContact CG2-NE2 3.3Å; I559-Q563 WeakPolarHBondContact O-CB 3.49Å; I559-Q563 VanDerWaalsContact O-CG 3.3Å; I559-Q563 WeakPolarHBondContact O-CG 3.4Å; I559-Q563 PolarHBondContact O-N 3.41Å; I561-Q563 PolarHBondContact O-N 2.91Å
564	Y	96.4	Very high	95.6	Very high	103 Å²	103	31.6 Å²	31.6	40%	0.404	17%	0.167	S	C	.	.	H	α-helix	trans	-107	-28.3	-169	-58.3	-59.8	0	0	0	114.5	E534 K538 A560	E534-Y564 HydrophobicContact CG-CD2 4.11Å; E534-Y564 HydrophobicContact CG-CE2 3.87Å; K538-Y564 HydrophobicContact CD-CD1 4.43Å; K538-Y564 HydrophobicContact CD-CD2 4.3Å; K538-Y564 HydrophobicContact CD-CG 4.27Å; K538-Y564 VanDerWaalsContact CE-CD1 3.45Å; K538-Y564 VanDerWaalsContact CE-CD2 3.42Å; K538-Y564 HydrophobicContact CG-CD1 4.03Å; K538-Y564 HydrophobicContact CG-CD2 3.97Å; K538-Y564 HydrophobicContact CG-CG 3.63Å; K538-Y564 PolarHBondContact NZ-OH 3.33Å; A560-Y564 HydrophobicContact CB-CD2 3.95Å; A560-Y564 HydrophobicContact CB-CE2 4.1Å; A560-Y564 WeakPolarHBondContact O-CB 3.15Å; A560-Y564 WeakPolarHBondContact O-CD2 3.39Å; A560-Y564 PolarHBondContact O-N 3.45Å
565	S	95.4	Very high	95.3	Very high	9 Å²	9	34 Å²	34	6%	0.063	17%	0.171	C	C	.	.			trans	-90.7	137.5	178.6	-167.8	0	0	0	0	111.7	I561 T567 I568	I561-S565 VanDerWaalsContact O-CB 3.26Å; I561-S565 WeakPolarHBondContact O-CB 3.32Å; I561-S565 PolarHBondContact O-N 3.08Å; S565-T567 PolarHBondContact OG-N 3.13Å; S565-I568 WeakPolarHBondContact OG-CD1 3.18Å; S565-I568 VanDerWaalsContact OG-CG1 3.3Å; S565-I568 WeakPolarHBondContact OG-CG1 3.43Å; S565-I568 PolarHBondContact OG-N 3.26Å
566	S	93.8	Very high	95.1	Very high	98 Å²	98	33 Å²	33	69%	0.685	17%	0.166	S	C	*	.	S	Bend	trans	-116.9	8	171.7	55.5	0	0	0	0	113	S593	S566-S593 WeakPolarHBondContact O-CB 3.49Å
567	T	95.8	Very high	94.7	Very high	40 Å²	40	35.2 Å²	35.2	25%	0.245	17%	0.174	C	C	.	.	S	Bend	trans	-124.6	-21.1	-174.3	60.2	0	0	0	0	114.1	G540 L543 S565 E569	G540-T567 PolarHBondContact O-OG1 3.3Å; L543-T567 CarbonylContact O-C 3.58Å; L543-T567 WeakPolarHBondContact O-CB 3.19Å; L543-T567 PolarHBondContact O-OG1 3.42Å; S565-T567 PolarHBondContact OG-N 3.13Å; T567-E569 PolarHBondContact O-N 3.4Å
568	I	96.5	Very high	94.5	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.191	C	C	.	.			trans	-70.7	119.6	-179.5	-67.5	169.1	0	0	0	109	L543 L546 I561 S565 V571 S593 L594	L543-I568 HydrophobicContact CB-CG1 4.31Å; L543-I568 HydrophobicContact CD2-CD1 4.12Å; L543-I568 HydrophobicContact CD2-CG1 4.39Å; L543-I568 HydrophobicContact CG-CG1 4.31Å; L543-I568 WeakPolarHBondContact O-CA 3.46Å; L543-I568 VanDerWaalsContact O-CG1 3.3Å; L543-I568 WeakPolarHBondContact O-CG1 3.26Å; L543-I568 PolarHBondContact O-N 3.45Å; L546-I568 HydrophobicContact CD2-CD1 4.15Å; I561-I568 HydrophobicContact CG2-CB 4.39Å; I561-I568 HydrophobicContact CG2-CD1 4.08Å; I561-I568 HydrophobicContact CG2-CG2 4.24Å; S565-I568 WeakPolarHBondContact OG-CD1 3.18Å; S565-I568 VanDerWaalsContact OG-CG1 3.3Å; S565-I568 WeakPolarHBondContact OG-CG1 3.43Å; S565-I568 PolarHBondContact OG-N 3.26Å; I568-V571 HydrophobicContact CG2-CG2 3.49Å; I568-V571 VanDerWaalsContact CG2-CG2 3.49Å; I568-S593 CarbonylContact O-C 3.55Å; I568-S593 WeakPolarHBondContact O-CB 3.34Å; I568-S593 PolarHBondContact O-OG 3.33Å; I568-L594 PolarHBondContact O-N 3.05Å
569	E	94.8	Very high	94.4	Very high	46 Å²	46	38.5 Å²	38.5	22%	0.215	19%	0.191	C	C	.	.			trans	-102.6	-28.6	179.3	-59.6	-173.8	-119.6	0	0	111.2	K544 T567 S593 R595 Y596	K544-E569 IonicContact NZ-OE1 3.1Å; K544-E569 PolarHBondContact NZ-OE1 3.1Å; K544-E569 PolarHBondContact O-N 3.46Å; T567-E569 PolarHBondContact O-N 3.4Å; E569-S593 WeakPolarHBondContact CA-O 3.45Å; E569-R595 HydrophobicContact CB-CG 4.24Å; E569-R595 WeakPolarHBondContact O-CA 3.45Å; E569-R595 PolarHBondContact O-N 2.88Å; E569-R595 WeakPolarHBondContact OE2-CD 3.49Å; E569-R595 IonicContact OE2-CZ 3.83Å; E569-R595 IonicContact OE2-NE 2.8Å; E569-R595 PolarHBondContact OE2-NE 2.72Å; E569-R595 IonicContact OE2-NH2 3.99Å; E569-Y596 PolarHBondContact O-N 3.02Å
570	T	94.7	Very high	94.2	Very high	28 Å²	28	39.1 Å²	39.1	17%	0.172	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	117.8	-174.8	-61	0	0	0	0	110	K544 E545 L546 Y547 Y596	K544-T570 PolarHBondContact O-N 2.93Å; E545-T570 WeakPolarHBondContact CA-O 3.4Å; L546-T570 PolarHBondContact N-O 3.36Å; Y547-T570 HydrophobicContact CE1-CG2 4.3Å; T570-Y596 HydrophobicContact CG2-CD1 3.69Å; T570-Y596 HydrophobicContact CG2-CE1 4.45Å; T570-Y596 HydrophobicContact CG2-CG 4.28Å
571	V	96.2	Very high	93.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128.6	169.1	178.9	0	0	0	0	108.8	L546 L558 I561 I568 I587 L594 Y596 L597 G598	L546-V571 WeakPolarHBondContact O-CA 3.42Å; L558-V571 HydrophobicContact CD2-CG1 4.06Å; I561-V571 HydrophobicContact CD1-CG1 4.21Å; I561-V571 HydrophobicContact CD1-CG2 4.22Å; I561-V571 HydrophobicContact CG2-CG2 4.03Å; I568-V571 HydrophobicContact CG2-CG2 3.49Å; I568-V571 VanDerWaalsContact CG2-CG2 3.49Å; V571-I587 HydrophobicContact CG2-CD1 4.33Å; V571-L594 HydrophobicContact CB-CD1 4.16Å; V571-L594 HydrophobicContact CG2-CD1 3.71Å; V571-Y596 PolarHBondContact N-O 2.84Å; V571-L597 HydrophobicContact CB-CD1 4.05Å; V571-L597 HydrophobicContact CG1-CD1 4.14Å; V571-L597 CarbonylContact O-C 3.58Å; V571-L597 WeakPolarHBondContact O-CA 3.33Å; V571-G598 PolarHBondContact O-N 3.07Å
572	D	92.8	Very high	93.4	Very high	27 Å²	27	45.6 Å²	45.6	14%	0.144	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	107.9	167.8	-171.5	-3.2	0	0	0	110	L546 Y547 L548 V549 G574 Y596	L546-D572 PolarHBondContact O-N 2.91Å; Y547-D572 HydrophobicContact CD1-CB 3.78Å; Y547-D572 HydrophobicContact CE1-CB 4.48Å; L548-D572 CarbonylContact C-O 3.11Å; L548-D572 WeakPolarHBondContact CA-O 3.43Å; L548-D572 PolarHBondContact N-O 2.84Å; V549-D572 HydrophobicContact CG2-CB 4.15Å; V549-D572 WeakPolarHBondContact CG2-OD1 3.46Å; V549-D572 WeakPolarHBondContact CG2-OD2 3.28Å; V549-D572 PolarHBondContact N-O 3.36Å; D572-G574 PolarHBondContact OD1-N 3.48Å; D572-Y596 HydrophobicContact CB-CE1 4.42Å
573	A	93.8	Very high	93.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.225	C	C	.	.			trans	-112.4	28.2	178.3	0	0	0	0	0	111.7	I553 L558 C576 I579 G598 L599 C602	I553-A573 HydrophobicContact CD1-CB 4.2Å; L558-A573 HydrophobicContact CD2-CB 4.2Å; A573-C576 VanDerWaalsContact O-CB 3.23Å; A573-C576 WeakPolarHBondContact O-CB 3.34Å; A573-C576 PolarHBondContact O-N 2.92Å; A573-C576 PolarHBondContact O-SG 3.32Å; A573-C576 VanDerWaalsContact O-SG 3.35Å; A573-I579 HydrophobicContact CB-CD1 3.46Å; A573-I579 VanDerWaalsContact CB-CD1 3.46Å; A573-G598 CarbonylContact C-O 3.34Å; A573-G598 PolarHBondContact N-O 2.94Å; A573-L599 HydrophobicContact CB-CD2 4.49Å; A573-C602 PolarHBondContact O-SG 3.18Å
574	G	89.4	Confident	93	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	149.5	178.6	0	0	0	0	0	113.7	V549 S550 D572 C576 G598 M600	V549-G574 CarbonylContact C-O 3.59Å; V549-G574 WeakPolarHBondContact CA-O 3.28Å; V549-G574 WeakPolarHBondContact CG1-O 3.38Å; S550-G574 PolarHBondContact N-O 3.39Å; D572-G574 PolarHBondContact OD1-N 3.48Å; G574-C576 PolarHBondContact O-N 2.96Å; G574-G598 PolarHBondContact N-O 3.18Å; G574-M600 CarbonylContact C-O 3.41Å; G574-M600 WeakPolarHBondContact CA-O 3.02Å
575	W	90.6	Very high	92.5	Very high	101 Å²	101	35.7 Å²	35.7	38%	0.383	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	8.7	-177.6	-59.2	83.3	0	0	0	115.6	V549 S550 K577 M600 R601	V549-W575 HydrophobicContact CG1-CB 4.49Å; S550-W575 WeakPolarHBondContact OG-CB 3.38Å; W575-K577 PolarHBondContact O-N 3.23Å; W575-M600 PolarHBondContact N-O 2.78Å; W575-R601 HydrophobicContact CD2-CB 3.67Å; W575-R601 HydrophobicContact CD2-CG 4.18Å; W575-R601 HydrophobicContact CE3-CB 3.98Å; W575-R601 HydrophobicContact CG-CB 4.03Å; W575-R601 HydrophobicContact CH2-CB 4.48Å; W575-R601 HydrophobicContact CH2-CG 4.17Å; W575-R601 HydrophobicContact CZ2-CB 4.19Å; W575-R601 HydrophobicContact CZ2-CG 3.75Å; W575-R601 HydrophobicContact CZ3-CB 4.38Å
576	C	92.6	Very high	92.2	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.007	20%	0.195	C	C	.	.			trans	-77.2	102.7	170.8	-66.8	0	0	0	0	109.8	L548 C551 I553 A573 G574 D578 I579	L548-C576 PolarHBondContact O-SG 2.69Å; L548-C576 VanDerWaalsContact O-SG 3.32Å; C551-C576 PolarHBondContact O-SG 2.92Å; I553-C576 HydrophobicContact CD1-CB 4.48Å; I553-C576 HydrophobicContact CG1-CB 4Å; I553-C576 VanDerWaalsContact CG1-SG 3.53Å; A573-C576 VanDerWaalsContact O-CB 3.23Å; A573-C576 WeakPolarHBondContact O-CB 3.34Å; A573-C576 PolarHBondContact O-N 2.92Å; A573-C576 PolarHBondContact O-SG 3.32Å; A573-C576 VanDerWaalsContact O-SG 3.35Å; G574-C576 PolarHBondContact O-N 2.96Å; C576-D578 PolarHBondContact O-N 3.15Å; C576-I579 HydrophobicContact CB-CD1 3.52Å; C576-I579 HydrophobicContact CB-CG1 3.88Å; C576-I579 PolarHBondContact O-N 3.26Å
577	K	90.3	Very high	92.2	Very high	143 Å²	143	33.5 Å²	33.5	62%	0.622	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-13.7	-169.9	-62.9	-178.6	179.4	-179.4	0	115.3	W575 K604	W575-K577 PolarHBondContact O-N 3.23Å; K577-K604 WeakPolarHBondContact O-CD 3.45Å; K577-K604 WeakPolarHBondContact O-CE 3.44Å; K577-K604 PolarHBondContact O-NZ 3.29Å
578	D	94.4	Very high	91.7	Very high	69 Å²	69	32.1 Å²	32.1	37%	0.369	16%	0.155	S	C	.	.	B	Isolated β-bridge	trans	-111.3	13.3	-175.4	-62.5	-47.4	0	0	0	113	T554 C576 K604	T554-D578 HydrophobicContact CG2-CB 4.07Å; C576-D578 PolarHBondContact O-N 3.15Å; D578-K604 IonicContact OD1-NZ 3.57Å; D578-K604 PolarHBondContact OD1-NZ 3.24Å
579	I	93.3	Very high	91.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.			trans	-90.8	135.1	167	-63.5	-179.7	0	0	0	109.4	I553 D555 L558 A573 C576 L599 K604 V605	I553-I579 HydrophobicContact CD1-CD1 4.07Å; I553-I579 HydrophobicContact CG1-CD1 4.3Å; D555-I579 WeakPolarHBondContact OD1-CA 3.33Å; L558-I579 HydrophobicContact CD1-CD1 4.03Å; L558-I579 HydrophobicContact CD1-CG1 4.47Å; L558-I579 HydrophobicContact CD1-CG2 3.58Å; L558-I579 HydrophobicContact CD2-CD1 4.41Å; L558-I579 HydrophobicContact CG-CD1 4.13Å; A573-I579 HydrophobicContact CB-CD1 3.46Å; A573-I579 VanDerWaalsContact CB-CD1 3.46Å; C576-I579 HydrophobicContact CB-CD1 3.52Å; C576-I579 HydrophobicContact CB-CG1 3.88Å; C576-I579 PolarHBondContact O-N 3.26Å; I579-L599 HydrophobicContact CG2-CD2 3.94Å; I579-K604 WeakPolarHBondContact O-CB 3.44Å; I579-V605 HydrophobicContact CG2-CG2 4.1Å
580	T	92.8	Very high	91.1	Very high	39 Å²	39	37.9 Å²	37.9	24%	0.239	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-123.6	176	-178.3	80	0	0	0	0	111.4	D555 Q582 G583 A584 K604	D555-T580 PolarHBondContact OD1-N 3.04Å; D555-T580 WeakPolarHBondContact OD2-CB 3.43Å; D555-T580 WeakPolarHBondContact OD2-CG2 3.29Å; D555-T580 PolarHBondContact OD2-OG1 3.43Å; T580-Q582 PolarHBondContact O-N 3.36Å; T580-Q582 PolarHBondContact OG1-N 3.23Å; T580-Q582 VanDerWaalsContact OG1-N 3.15Å; T580-G583 PolarHBondContact O-N 2.8Å; T580-A584 PolarHBondContact O-N 3.07Å; T580-K604 HydrophobicContact CG2-CB 4.11Å; T580-K604 HydrophobicContact CG2-CD 4.15Å
581	D	87.3	Confident	90.8	Very high	22 Å²	22	37.4 Å²	37.4	12%	0.118	18%	0.184	C	C	.	.	H	α-helix	trans	-55.4	-28.2	172.5	-62.6	-50.1	0	0	0	113.1	T585 V605 T606	D581-T585 VanDerWaalsContact O-CB 3.24Å; D581-T585 WeakPolarHBondContact O-CB 3.35Å; D581-T585 PolarHBondContact O-N 2.87Å; D581-T585 PolarHBondContact O-OG1 2.64Å; D581-V605 VanDerWaalsContact OD1-CA 3.3Å; D581-V605 WeakPolarHBondContact OD1-CA 3.39Å; D581-V605 WeakPolarHBondContact OD1-CG1 3.2Å; D581-T606 PolarHBondContact OD1-N 3.46Å; D581-T606 WeakPolarHBondContact OD2-CB 3.37Å; D581-T606 PolarHBondContact OD2-N 3.44Å; D581-T606 PolarHBondContact OD2-OG1 3.44Å
582	Q	90.6	Very high	90.4	Very high	116 Å²	116	47.2 Å²	47.2	54%	0.542	23%	0.227	S	C	.	.	H	α-helix	trans	-66.8	-51.2	178.6	-177.2	-179.7	-23.2	0	0	111.7	T580 A584 T585 Q586	T580-Q582 PolarHBondContact O-N 3.36Å; T580-Q582 PolarHBondContact OG1-N 3.23Å; T580-Q582 VanDerWaalsContact OG1-N 3.15Å; Q582-A584 VanDerWaalsContact C-N 3.32Å; Q582-A584 PolarHBondContact O-N 3.3Å; Q582-T585 PolarHBondContact O-N 3.24Å; Q582-Q586 WeakPolarHBondContact O-CB 3.33Å; Q582-Q586 WeakPolarHBondContact O-CG 3.49Å; Q582-Q586 PolarHBondContact O-N 2.98Å
583	G	91.9	Very high	90.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.6	-39.5	179.8	0	0	0	0	0	112	D555 T580 I587	D555-G583 VanDerWaalsContact CG-N 3.34Å; D555-G583 VanDerWaalsContact OD1-CA 3.27Å; D555-G583 WeakPolarHBondContact OD1-CA 3.25Å; D555-G583 PolarHBondContact OD1-N 3.09Å; T580-G583 PolarHBondContact O-N 2.8Å; G583-I587 WeakPolarHBondContact O-CG2 3.29Å; G583-I587 PolarHBondContact O-N 3.42Å
584	A	89.6	Confident	90.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.3	-37.8	177.2	0	0	0	0	0	113.2	T580 Q582 I587 A588 L599 L612	T580-A584 PolarHBondContact O-N 3.07Å; Q582-A584 VanDerWaalsContact C-N 3.32Å; Q582-A584 PolarHBondContact O-N 3.3Å; A584-I587 WeakPolarHBondContact O-CG2 3.42Å; A584-A588 PolarHBondContact O-N 2.95Å; A584-L599 HydrophobicContact CB-CD1 3.49Å; A584-L599 VanDerWaalsContact CB-CD1 3.49Å; A584-L612 HydrophobicContact CB-CD1 3.65Å
585	T	86.2	Confident	90.1	Very high	10 Å²	10	54.4 Å²	54.4	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-70.8	-44.4	174.3	-54.4	0	0	0	0	111.1	D581 Q582 I587 A588 Q589 E611	D581-T585 VanDerWaalsContact O-CB 3.24Å; D581-T585 WeakPolarHBondContact O-CB 3.35Å; D581-T585 PolarHBondContact O-N 2.87Å; D581-T585 PolarHBondContact O-OG1 2.64Å; Q582-T585 PolarHBondContact O-N 3.24Å; T585-I587 PolarHBondContact O-N 3.19Å; T585-A588 PolarHBondContact O-N 3.15Å; T585-Q589 HydrophobicContact CG2-CG 4.42Å; T585-Q589 WeakPolarHBondContact O-CG 3.33Å; T585-Q589 PolarHBondContact O-N 3.31Å; T585-E611 HydrophobicContact CG2-CB 4.45Å
586	Q	90.1	Very high	89.9	Confident	61 Å²	61	53 Å²	53	29%	0.285	25%	0.25	S	C	.	.	H	α-helix	trans	-67.1	-37.6	-178.1	-73.8	-166.9	30.8	0	0	113.3	I559 Q582 Q589 S590	I559-Q586 HydrophobicContact CD1-CB 4.47Å; I559-Q586 HydrophobicContact CG1-CB 3.78Å; I559-Q586 HydrophobicContact CG1-CG 4.44Å; Q582-Q586 WeakPolarHBondContact O-CB 3.33Å; Q582-Q586 WeakPolarHBondContact O-CG 3.49Å; Q582-Q586 PolarHBondContact O-N 2.98Å; Q586-Q589 PolarHBondContact O-N 3.46Å; Q586-S590 WeakPolarHBondContact O-CB 3.1Å; Q586-S590 PolarHBondContact O-N 3.09Å; Q586-S590 PolarHBondContact O-OG 3.41Å
587	I	91.9	Very high	89.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-66.7	-37.4	175.2	-167	179.9	0	0	0	111.8	L558 I561 V571 G583 A584 T585 S591 L594 L597	L558-I587 HydrophobicContact CB-CB 4.07Å; L558-I587 HydrophobicContact CB-CD1 4.17Å; L558-I587 HydrophobicContact CB-CG2 4.23Å; L558-I587 HydrophobicContact CD1-CG2 4.39Å; L558-I587 HydrophobicContact CD2-CD1 4.08Å; L558-I587 WeakPolarHBondContact O-CB 3.47Å; L558-I587 WeakPolarHBondContact O-CD1 3.43Å; L558-I587 VanDerWaalsContact O-CG1 3.31Å; L558-I587 WeakPolarHBondContact O-CG1 3.22Å; I561-I587 HydrophobicContact CB-CD1 3.97Å; I561-I587 HydrophobicContact CG2-CD1 3.86Å; V571-I587 HydrophobicContact CG2-CD1 4.33Å; G583-I587 WeakPolarHBondContact O-CG2 3.29Å; G583-I587 PolarHBondContact O-N 3.42Å; A584-I587 WeakPolarHBondContact O-CG2 3.42Å; T585-I587 PolarHBondContact O-N 3.19Å; I587-S591 WeakPolarHBondContact O-CB 3.38Å; I587-S591 PolarHBondContact O-N 2.95Å; I587-L594 HydrophobicContact CD1-CD2 4.07Å; I587-L594 HydrophobicContact CG1-CD2 4.06Å; I587-L594 HydrophobicContact CG2-CD2 4.48Å; I587-L597 HydrophobicContact CD1-CD1 4.48Å; I587-L597 HydrophobicContact CG2-CD1 4.43Å; I587-L597 HydrophobicContact CG2-CD2 3.68Å
588	A	86.9	Confident	89.6	Confident	11 Å²	11	46.1 Å²	46.1	9%	0.091	22%	0.22	C	C	.	.	H	α-helix	trans	-64.4	-42.7	175.3	0	0	0	0	0	111.9	A584 T585 A615	A584-A588 PolarHBondContact O-N 2.95Å; T585-A588 PolarHBondContact O-N 3.15Å; A588-A615 HydrophobicContact CB-CB 3.93Å
589	Q	86.4	Confident	89.2	Confident	128 Å²	128	42.9 Å²	42.9	60%	0.598	20%	0.203	S	C	*	.	H	α-helix	trans	-71.7	-32.1	178.7	-69.4	177.6	-9	0	0	114.4	T585 Q586 A615	T585-Q589 HydrophobicContact CG2-CG 4.42Å; T585-Q589 WeakPolarHBondContact O-CG 3.33Å; T585-Q589 PolarHBondContact O-N 3.31Å; Q586-Q589 PolarHBondContact O-N 3.46Å; Q589-A615 HydrophobicContact CG-CB 3.49Å; Q589-A615 VanDerWaalsContact CG-CB 3.49Å
590	S	90.8	Very high	88.7	Confident	40 Å²	40	45.7 Å²	45.7	28%	0.28	22%	0.217	S	C	.	.	H	α-helix	trans	-95.5	-33.4	-173	55.6	0	0	0	0	114.1	G562 Q586	G562-S590 VanDerWaalsContact C-OG 3.28Å; G562-S590 WeakPolarHBondContact CA-OG 3.15Å; G562-S590 CarbonylContact O-C 3.43Å; Q586-S590 WeakPolarHBondContact O-CB 3.1Å; Q586-S590 PolarHBondContact O-N 3.09Å; Q586-S590 PolarHBondContact O-OG 3.41Å
591	S	89.9	Confident	88.2	Confident	18 Å²	18	47.2 Å²	47.2	13%	0.126	22%	0.218	C	C	.	.			trans	-74.2	132.4	-178.6	-170.9	0	0	0	0	112.1	I587 S593 L594	I587-S591 WeakPolarHBondContact O-CB 3.38Å; I587-S591 PolarHBondContact O-N 2.95Å; S591-S593 PolarHBondContact OG-N 3.21Å; S591-L594 WeakPolarHBondContact OG-CB 3.37Å; S591-L594 PolarHBondContact OG-N 3.41Å
592	K	87.2	Confident	88.1	Confident	206 Å²	206	46.3 Å²	46.3	90%	0.896	21%	0.214	S	C	*	.	S	Bend	trans	-98.2	-5.4	176.9	-59.5	179.9	-177.6	178.4	0	113.2
593	S	91.4	Very high	87.9	Confident	16 Å²	16	46.3 Å²	46.3	11%	0.112	22%	0.217	C	C	.	.	S	Bend	trans	-121	-17.1	-172.8	56.3	0	0	0	0	113.6	S566 I568 E569 S591 R595	S566-S593 WeakPolarHBondContact O-CB 3.49Å; I568-S593 CarbonylContact O-C 3.55Å; I568-S593 WeakPolarHBondContact O-CB 3.34Å; I568-S593 PolarHBondContact O-OG 3.33Å; E569-S593 WeakPolarHBondContact CA-O 3.45Å; S591-S593 PolarHBondContact OG-N 3.21Å; S593-R595 WeakPolarHBondContact O-CG 3.27Å; S593-R595 PolarHBondContact O-N 3.09Å
594	L	89.9	Confident	87.6	Confident	11 Å²	11	51 Å²	51	6%	0.058	24%	0.238	C	C	.	.			trans	-65.7	126.9	-173	-167.2	70.2	0	0	0	111.3	I568 V571 I587 S591 Y596 L597	I568-L594 PolarHBondContact O-N 3.05Å; V571-L594 HydrophobicContact CB-CD1 4.16Å; V571-L594 HydrophobicContact CG2-CD1 3.71Å; I587-L594 HydrophobicContact CD1-CD2 4.07Å; I587-L594 HydrophobicContact CG1-CD2 4.06Å; I587-L594 HydrophobicContact CG2-CD2 4.48Å; S591-L594 WeakPolarHBondContact OG-CB 3.37Å; S591-L594 PolarHBondContact OG-N 3.41Å; L594-Y596 WeakPolarHBondContact CD1-O 3.45Å; L594-L597 HydrophobicContact CD2-CB 4.12Å; L594-L597 HydrophobicContact CD2-CD1 4.48Å; L594-L597 HydrophobicContact CD2-CD2 4.39Å
595	R	87.5	Confident	87.3	Confident	150 Å²	150	51.5 Å²	51.5	57%	0.566	24%	0.241	S	C	*	.			trans	-117.8	-25.3	178	-55.5	-167.6	-175	-70.8	-4.4	112.7	E569 S593 L620	E569-R595 HydrophobicContact CB-CG 4.24Å; E569-R595 WeakPolarHBondContact O-CA 3.45Å; E569-R595 PolarHBondContact O-N 2.88Å; E569-R595 WeakPolarHBondContact OE2-CD 3.49Å; E569-R595 IonicContact OE2-CZ 3.83Å; E569-R595 IonicContact OE2-NE 2.8Å; E569-R595 PolarHBondContact OE2-NE 2.72Å; E569-R595 IonicContact OE2-NH2 3.99Å; S593-R595 WeakPolarHBondContact O-CG 3.27Å; S593-R595 PolarHBondContact O-N 3.09Å; R595-L620 WeakPolarHBondContact O-CA 3.41Å; R595-L620 WeakPolarHBondContact O-CB 3.48Å; R595-L620 PolarHBondContact O-N 2.65Å
596	Y	87	Confident	86.7	Confident	71 Å²	71	55 Å²	55	28%	0.278	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	127.9	178.5	177.7	-88	0	0	0	110.9	E569 T570 V571 D572 L594 L620 C622	E569-Y596 PolarHBondContact O-N 3.02Å; T570-Y596 HydrophobicContact CG2-CD1 3.69Å; T570-Y596 HydrophobicContact CG2-CE1 4.45Å; T570-Y596 HydrophobicContact CG2-CG 4.28Å; V571-Y596 PolarHBondContact N-O 2.84Å; D572-Y596 HydrophobicContact CB-CE1 4.42Å; L594-Y596 WeakPolarHBondContact CD1-O 3.45Å; Y596-L620 WeakPolarHBondContact CA-O 3.49Å; Y596-C622 HydrophobicContact CD2-CB 4.46Å; Y596-C622 HydrophobicContact CE2-CB 3.62Å
597	L	88.5	Confident	85.2	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	104.6	173.2	-176.6	58.2	0	0	0	110.6	V571 I587 L594 L599 L620 V621 C622	V571-L597 HydrophobicContact CB-CD1 4.05Å; V571-L597 HydrophobicContact CG1-CD1 4.14Å; V571-L597 CarbonylContact O-C 3.58Å; V571-L597 WeakPolarHBondContact O-CA 3.33Å; I587-L597 HydrophobicContact CD1-CD1 4.48Å; I587-L597 HydrophobicContact CG2-CD1 4.43Å; I587-L597 HydrophobicContact CG2-CD2 3.68Å; L594-L597 HydrophobicContact CD2-CB 4.12Å; L594-L597 HydrophobicContact CD2-CD1 4.48Å; L594-L597 HydrophobicContact CD2-CD2 4.39Å; L597-L599 HydrophobicContact CD1-CD2 4.46Å; L597-L599 HydrophobicContact CD1-CG 4.43Å; L597-L599 HydrophobicContact CD2-CD1 3.92Å; L597-L599 HydrophobicContact CD2-CG 4.42Å; L597-L599 HydrophobicContact CG-CD1 4.03Å; L597-L599 HydrophobicContact CG-CG 4.01Å; L597-L620 PolarHBondContact N-O 2.7Å; L597-L620 VanDerWaalsContact N-O 3.09Å; L597-V621 HydrophobicContact CB-CG2 4.39Å; L597-V621 HydrophobicContact CD2-CG2 4.48Å; L597-C622 PolarHBondContact O-N 3.08Å
598	G	87.3	Confident	83.3	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	115.6	174.7	0	0	0	0	0	111.7	V571 A573 G574	V571-G598 PolarHBondContact O-N 3.07Å; A573-G598 CarbonylContact C-O 3.34Å; A573-G598 PolarHBondContact N-O 2.94Å; G574-G598 PolarHBondContact N-O 3.18Å
599	L	86.9	Confident	81.7	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.005	32%	0.319	C	S	.	.			trans	-125.5	29.2	176.3	-64.7	170.3	0	0	0	111.3	L558 A573 I579 A584 L597 R601 C602 V605 V621 C622 M623	L558-L599 HydrophobicContact CD1-CD2 4.25Å; A573-L599 HydrophobicContact CB-CD2 4.49Å; I579-L599 HydrophobicContact CG2-CD2 3.94Å; A584-L599 HydrophobicContact CB-CD1 3.49Å; A584-L599 VanDerWaalsContact CB-CD1 3.49Å; L597-L599 HydrophobicContact CD1-CD2 4.46Å; L597-L599 HydrophobicContact CD1-CG 4.43Å; L597-L599 HydrophobicContact CD2-CD1 3.92Å; L597-L599 HydrophobicContact CD2-CG 4.42Å; L597-L599 HydrophobicContact CG-CD1 4.03Å; L597-L599 HydrophobicContact CG-CG 4.01Å; L599-R601 PolarHBondContact O-N 3.43Å; L599-C602 HydrophobicContact CB-CB 4.45Å; L599-C602 PolarHBondContact O-N 3.39Å; L599-V605 HydrophobicContact CD1-CG1 4.33Å; L599-V621 HydrophobicContact CD1-CG1 4.36Å; L599-C622 PolarHBondContact N-O 3.34Å; L599-C622 VanDerWaalsContact N-O 3.08Å; L599-M623 HydrophobicContact CB-CG 4.08Å
600	M	82.6	Confident	79.8	Confident	58 Å²	58	67 Å²	67	29%	0.286	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	123.2	179.7	176.2	169.9	70.6	0	0	110.3	G574 W575 C602 C624	G574-M600 CarbonylContact C-O 3.41Å; G574-M600 WeakPolarHBondContact CA-O 3.02Å; W575-M600 PolarHBondContact N-O 2.78Å; M600-C602 VanDerWaalsContact C-N 3.27Å; M600-C602 PolarHBondContact O-N 3.47Å; M600-C624 HydrophobicContact CB-CB 4.24Å; M600-C624 HydrophobicContact CG-CB 3.81Å; M600-C624 HydrophobicContact SD-CB 3.83Å
601	R	83	Confident	78	Confident	71 Å²	71	70.7 Å²	70.7	27%	0.268	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	31	177.9	-56.6	-81.4	-69.4	-166.8	8.2	114	W575 L599 D603 C626	W575-R601 HydrophobicContact CD2-CB 3.67Å; W575-R601 HydrophobicContact CD2-CG 4.18Å; W575-R601 HydrophobicContact CE3-CB 3.98Å; W575-R601 HydrophobicContact CG-CB 4.03Å; W575-R601 HydrophobicContact CH2-CB 4.48Å; W575-R601 HydrophobicContact CH2-CG 4.17Å; W575-R601 HydrophobicContact CZ2-CB 4.19Å; W575-R601 HydrophobicContact CZ2-CG 3.75Å; W575-R601 HydrophobicContact CZ3-CB 4.38Å; L599-R601 PolarHBondContact O-N 3.43Å; R601-D603 PolarHBondContact O-N 2.95Å; R601-C626 PolarHBondContact NH1-O 3.4Å
602	C	85.3	Confident	76.4	Confident	4 Å²	4	70.4 Å²	70.4	3%	0.027	33%	0.333	C	S	.	.			trans	-83	87.2	161.5	-65.1	0	0	0	0	108.9	A573 L599 M600 K604 V605	A573-C602 PolarHBondContact O-SG 3.18Å; L599-C602 HydrophobicContact CB-CB 4.45Å; L599-C602 PolarHBondContact O-N 3.39Å; M600-C602 VanDerWaalsContact C-N 3.27Å; M600-C602 PolarHBondContact O-N 3.47Å; C602-K604 PolarHBondContact O-N 2.89Å; C602-V605 HydrophobicContact CB-CB 4.27Å; C602-V605 HydrophobicContact CB-CG2 3.6Å; C602-V605 WeakPolarHBondContact O-CB 3.25Å; C602-V605 PolarHBondContact O-N 3.08Å
603	D	84.8	Confident	74.9	Confident	115 Å²	115	64 Å²	64	62%	0.615	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-12.3	-166.3	-58.4	-37.8	0	0	0	115.3	R601	R601-D603 PolarHBondContact O-N 2.95Å
604	K	87.3	Confident	72.9	Confident	100 Å²	100	66.3 Å²	66.3	44%	0.435	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-98	-0.5	175.1	-57.6	176	-177.3	166.7	0	114	K577 D578 I579 T580 C602	K577-K604 WeakPolarHBondContact O-CD 3.45Å; K577-K604 WeakPolarHBondContact O-CE 3.44Å; K577-K604 PolarHBondContact O-NZ 3.29Å; D578-K604 IonicContact OD1-NZ 3.57Å; D578-K604 PolarHBondContact OD1-NZ 3.24Å; I579-K604 WeakPolarHBondContact O-CB 3.44Å; T580-K604 HydrophobicContact CG2-CB 4.11Å; T580-K604 HydrophobicContact CG2-CD 4.15Å; C602-K604 PolarHBondContact O-N 2.89Å
605	V	82.9	Confident	71.2	Confident	10 Å²	10	66.9 Å²	66.9	6%	0.061	34%	0.337	C	S	.	.	S	Bend	trans	-89.3	107.4	170.7	-176.2	0	0	0	0	106.6	I579 D581 L599 C602 M623	I579-V605 HydrophobicContact CG2-CG2 4.1Å; D581-V605 VanDerWaalsContact OD1-CA 3.3Å; D581-V605 WeakPolarHBondContact OD1-CA 3.39Å; D581-V605 WeakPolarHBondContact OD1-CG1 3.2Å; L599-V605 HydrophobicContact CD1-CG1 4.33Å; C602-V605 HydrophobicContact CB-CB 4.27Å; C602-V605 HydrophobicContact CB-CG2 3.6Å; C602-V605 WeakPolarHBondContact O-CB 3.25Å; C602-V605 PolarHBondContact O-N 3.08Å; V605-M623 HydrophobicContact CB-CE 3.75Å; V605-M623 HydrophobicContact CG1-CE 3.42Å; V605-M623 VanDerWaalsContact CG1-CE 3.42Å; V605-M623 HydrophobicContact CG1-SD 3.65Å
606	T	72.6	Confident	69.8	Low	84 Å²	84	59.9 Å²	59.9	52%	0.515	31%	0.312	S	S	.	.			trans	-78.4	136.7	-177.2	61.3	0	0	0	0	110.7	D581 L608	D581-T606 PolarHBondContact OD1-N 3.46Å; D581-T606 WeakPolarHBondContact OD2-CB 3.37Å; D581-T606 PolarHBondContact OD2-N 3.44Å; D581-T606 PolarHBondContact OD2-OG1 3.44Å; T606-L608 PolarHBondContact O-N 3.1Å
607	R	59.4	Low	68.3	Low	145 Å²	145	61 Å²	61	55%	0.547	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	125.5	177.4	-78.1	173.5	150.8	-176.8	-8.5	109.2
608	L	51.6	Low	66.9	Low	143 Å²	143	68.2 Å²	68.2	75%	0.749	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	51.6	172.7	-53	133.9	0	0	0	116.3	T606 T610	T606-L608 PolarHBondContact O-N 3.1Å; L608-T610 PolarHBondContact O-N 3.04Å; L608-T610 VanDerWaalsContact O-N 3.16Å
609	N	52.7	Low	65.4	Low	50 Å²	50	68.7 Å²	68.7	27%	0.267	36%	0.364	S	S	.	.			trans	-68	108.1	148.4	-115.3	20.5	0	0	0	108.6	E611 L612 V613	N609-E611 PolarHBondContact O-N 3.25Å; N609-L612 HydrophobicContact CB-CB 3.84Å; N609-L612 WeakPolarHBondContact O-CB 3.43Å; N609-L612 PolarHBondContact O-N 3.11Å; N609-V613 PolarHBondContact O-N 3.45Å
610	T	47.6	Very low	64	Low	112 Å²	112	71.1 Å²	71.1	69%	0.687	38%	0.377	S	S	*	.	H	α-helix	trans	-57.5	-33.9	174.1	45.2	0	0	0	0	111.6	L608 L612 V613 A614	L608-T610 PolarHBondContact O-N 3.04Å; L608-T610 VanDerWaalsContact O-N 3.16Å; T610-L612 VanDerWaalsContact C-N 3.28Å; T610-L612 PolarHBondContact O-N 3Å; T610-V613 PolarHBondContact O-N 2.85Å; T610-A614 WeakPolarHBondContact O-CB 3.42Å; T610-A614 PolarHBondContact O-N 3.13Å
611	E	53.3	Low	62.8	Low	118 Å²	118	68.8 Å²	68.8	55%	0.551	37%	0.366	S	S	*	.	H	α-helix	trans	-60	-34	172.6	-60.5	-176.7	166.3	0	0	113.2	T585 N609 A614 A615	T585-E611 HydrophobicContact CG2-CB 4.45Å; N609-E611 PolarHBondContact O-N 3.25Å; E611-A614 PolarHBondContact O-N 3.38Å; E611-A615 WeakPolarHBondContact O-CB 3.08Å; E611-A615 PolarHBondContact O-N 2.72Å
612	L	56.1	Low	61.5	Low	12 Å²	12	66.3 Å²	66.3	6%	0.063	36%	0.359	C	S	.	.	H	α-helix	trans	-77.8	-32.8	-178.6	-158	160.9	0	0	0	110.6	A584 N609 T610 A616 V621	A584-L612 HydrophobicContact CB-CD1 3.65Å; N609-L612 HydrophobicContact CB-CB 3.84Å; N609-L612 WeakPolarHBondContact O-CB 3.43Å; N609-L612 PolarHBondContact O-N 3.11Å; T610-L612 VanDerWaalsContact C-N 3.28Å; T610-L612 PolarHBondContact O-N 3Å; L612-A616 WeakPolarHBondContact O-CB 3.35Å; L612-A616 PolarHBondContact O-N 2.76Å; L612-V621 HydrophobicContact CD2-CB 4.45Å; L612-V621 HydrophobicContact CD2-CG1 4.1Å; L612-V621 HydrophobicContact CD2-CG2 3.92Å
613	V	54.6	Low	59.9	Low	72 Å²	72	67.5 Å²	67.5	44%	0.436	37%	0.365	S	S	.	.	H	α-helix	trans	-68.6	-43	169	179.1	0	0	0	0	111.1	N609 T610 A616 A643	N609-V613 PolarHBondContact O-N 3.45Å; T610-V613 PolarHBondContact O-N 2.85Å; V613-A616 PolarHBondContact O-N 2.96Å; V613-A643 HydrophobicContact CG1-CB 4.24Å; V613-A643 HydrophobicContact CG2-CB 4.46Å
614	A	50.7	Low	58	Low	65 Å²	65	62.5 Å²	62.5	54%	0.537	34%	0.338	S	S	.	.	H	α-helix	trans	-71.2	-28.4	178.3	0	0	0	0	0	113.5	T610 E611 A616	T610-A614 WeakPolarHBondContact O-CB 3.42Å; T610-A614 PolarHBondContact O-N 3.13Å; E611-A614 PolarHBondContact O-N 3.38Å; A614-A616 VanDerWaalsContact C-N 3.31Å
615	A	54.1	Low	55.6	Low	22 Å²	22	60.2 Å²	60.2	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	-77	-17.2	173.6	0	0	0	0	0	113.5	A588 Q589 E611	A588-A615 HydrophobicContact CB-CB 3.93Å; Q589-A615 HydrophobicContact CG-CB 3.49Å; Q589-A615 VanDerWaalsContact CG-CB 3.49Å; E611-A615 WeakPolarHBondContact O-CB 3.08Å; E611-A615 PolarHBondContact O-N 2.72Å
616	A	57.7	Low	53.4	Low	3 Å²	3	60.4 Å²	60.4	3%	0.025	34%	0.335	C	S	.	.			trans	-102.5	32.9	-170.8	0	0	0	0	0	113.1	L612 V613 A614 D618 C619 V621	L612-A616 WeakPolarHBondContact O-CB 3.35Å; L612-A616 PolarHBondContact O-N 2.76Å; V613-A616 PolarHBondContact O-N 2.96Å; A614-A616 VanDerWaalsContact C-N 3.31Å; A616-D618 PolarHBondContact O-N 3.07Å; A616-C619 HydrophobicContact CB-CB 4.21Å; A616-C619 PolarHBondContact O-N 2.96Å; A616-V621 HydrophobicContact CB-CG2 4.03Å
617	D	55.2	Low	51.4	Low	94 Å²	94	61.7 Å²	61.7	50%	0.503	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-29.2	-173.3	-85.7	-27.5	0	0	0	114.2	S645	D617-S645 WeakPolarHBondContact CA-OG 3.43Å; D617-S645 PolarHBondContact O-OG 2.93Å; D617-S645 VanDerWaalsContact OD1-CB 3.23Å; D617-S645 WeakPolarHBondContact OD1-CB 3.41Å; D617-S645 PolarHBondContact OD1-OG 2.98Å
618	D	59	Low	50	Low	153 Å²	153	58.8 Å²	58.8	82%	0.818	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	5.6	174.2	-83.4	-51.1	0	0	0	115	A616	A616-D618 PolarHBondContact O-N 3.07Å
619	C	56.7	Low	48.9	Very low	10 Å²	10	57.9 Å²	57.9	7%	0.068	34%	0.343	C	S	.	.			trans	-115.9	122.6	-170.4	177.2	0	0	0	0	113.8	A616 V621	A616-C619 HydrophobicContact CB-CB 4.21Å; A616-C619 PolarHBondContact O-N 2.96Å; C619-V621 PolarHBondContact O-N 2.88Å
620	L	57.8	Low	48	Very low	53 Å²	53	61.3 Å²	61.3	28%	0.277	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	93.2	173.4	-169.3	73.2	0	0	0	111.1	R595 Y596 L597 C642	R595-L620 WeakPolarHBondContact O-CA 3.41Å; R595-L620 WeakPolarHBondContact O-CB 3.48Å; R595-L620 PolarHBondContact O-N 2.65Å; Y596-L620 WeakPolarHBondContact CA-O 3.49Å; L597-L620 PolarHBondContact N-O 2.7Å; L597-L620 VanDerWaalsContact N-O 3.09Å; L620-C642 HydrophobicContact CD1-CB 3.8Å
621	V	57.7	Low	47.2	Very low	8 Å²	8	61.3 Å²	61.3	5%	0.048	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	126.1	169.4	-174	0	0	0	0	109.3	L597 L599 L612 A616 C619 M623 A641	L597-V621 HydrophobicContact CB-CG2 4.39Å; L597-V621 HydrophobicContact CD2-CG2 4.48Å; L599-V621 HydrophobicContact CD1-CG1 4.36Å; L612-V621 HydrophobicContact CD2-CB 4.45Å; L612-V621 HydrophobicContact CD2-CG1 4.1Å; L612-V621 HydrophobicContact CD2-CG2 3.92Å; A616-V621 HydrophobicContact CB-CG2 4.03Å; C619-V621 PolarHBondContact O-N 2.88Å; V621-M623 HydrophobicContact CG1-CG 4.31Å; V621-A641 VanDerWaalsContact O-O 3.05Å
622	C	54.8	Low	46.3	Very low	19 Å²	19	62.2 Å²	62.2	13%	0.128	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	104.7	178.7	-171.8	0	0	0	0	110.7	Y596 L597 L599	Y596-C622 HydrophobicContact CD2-CB 4.46Å; Y596-C622 HydrophobicContact CE2-CB 3.62Å; L597-C622 PolarHBondContact O-N 3.08Å; L599-C622 PolarHBondContact N-O 3.34Å; L599-C622 VanDerWaalsContact N-O 3.08Å
623	M	51.5	Low	44.9	Very low	30 Å²	30	67 Å²	67	15%	0.148	42%	0.417	C	S	.	.			trans	-111.9	90.3	174.8	-75.7	-165.4	76	0	0	111.9	L599 V605 V621 V639	L599-M623 HydrophobicContact CB-CG 4.08Å; V605-M623 HydrophobicContact CB-CE 3.75Å; V605-M623 HydrophobicContact CG1-CE 3.42Å; V605-M623 VanDerWaalsContact CG1-CE 3.42Å; V605-M623 HydrophobicContact CG1-SD 3.65Å; V621-M623 HydrophobicContact CG1-CG 4.31Å; M623-V639 VanDerWaalsContact O-O 3.05Å
624	C	45.7	Very low	43.8	Very low	9 Å²	9	69.5 Å²	69.5	6%	0.061	44%	0.436	C	S	.	.			trans	-81.8	125.3	169.5	-67.2	0	0	0	0	111.2	M600 C640	M600-C624 HydrophobicContact CB-CB 4.24Å; M600-C624 HydrophobicContact CG-CB 3.81Å; M600-C624 HydrophobicContact SD-CB 3.83Å; C624-C640 VanDerWaalsContact SG-SG 3.68Å
625	V	37	Very low	42.8	Very low	53 Å²	53	71.7 Å²	71.7	32%	0.321	44%	0.442	S	S	.	.			trans	-100.2	98.8	164.2	176.8	0	0	0	0	108.5	V627	V625-V627 PolarHBondContact O-N 3.19Å
626	C	36.1	Very low	41.8	Very low	14 Å²	14	74.4 Å²	74.4	10%	0.095	46%	0.459	C	S	.	.			trans	-72.1	115.3	175.1	-50.2	0	0	0	0	110	R601 C628	R601-C626 PolarHBondContact NH1-O 3.4Å; C626-C628 PolarHBondContact O-N 2.89Å
627	V	29.9	Very low	40.7	Very low	110 Å²	110	78.4 Å²	78.4	67%	0.667	48%	0.483	S	S	*	.			trans	-84.9	96.1	163.2	-178	0	0	0	0	107.5	V625 V629	V625-V627 PolarHBondContact O-N 3.19Å; V627-V629 HydrophobicContact CG1-CG2 4.44Å; V627-V629 PolarHBondContact O-N 2.65Å
628	C	31.4	Very low	39.7	Very low	85 Å²	85	75.4 Å²	75.4	57%	0.574	47%	0.469	S	S	*	.			trans	-79.2	102.8	179.8	-58.2	0	0	0	0	110.4	C626	C626-C628 PolarHBondContact O-N 2.89Å
629	V	28.1	Very low	38.6	Very low	124 Å²	124	70.6 Å²	70.6	75%	0.752	45%	0.445	S	S	*	.			trans	-90	113.1	165.7	-175.4	0	0	0	0	108.5	V627 V631	V627-V629 HydrophobicContact CG1-CG2 4.44Å; V627-V629 PolarHBondContact O-N 2.65Å; V629-V631 PolarHBondContact O-N 3.26Å
630	C	33.4	Very low	37.7	Very low	122 Å²	122	71 Å²	71	82%	0.824	45%	0.448	S	S	*	.			trans	-80	76.5	-166.5	-59.2	0	0	0	0	114.3
631	V	30.1	Very low	36.8	Very low	112 Å²	112	71.3 Å²	71.3	68%	0.679	46%	0.458	S	S	*	.	S	Bend	trans	-143.2	100.9	161.7	-169.5	0	0	0	0	112.1	V629 V633	V629-V631 PolarHBondContact O-N 3.26Å; V631-V633 PolarHBondContact O-N 2.79Å
632	C	34.2	Very low	36	Very low	136 Å²	136	73.2 Å²	73.2	92%	0.919	47%	0.471	S	S	*	.	S	Bend	trans	50.9	-8.9	153.2	-58.1	0	0	0	0	122.4
633	V	28.3	Very low	35.4	Very low	113 Å²	113	73.2 Å²	73.2	69%	0.685	47%	0.472	S	S	*	.	S	Bend	trans	-138.5	115.7	168.6	-177	0	0	0	0	107.5	V631 V635	V631-V633 PolarHBondContact O-N 2.79Å; V633-V635 VanDerWaalsContact C-N 3.33Å; V633-V635 HydrophobicContact CG1-CG2 4.27Å; V633-V635 PolarHBondContact O-N 2.94Å
634	C	30.2	Very low	34.7	Very low	124 Å²	124	81 Å²	81	84%	0.838	50%	0.5	S	S	*	.			trans	-76.3	81.5	-179.3	-65.1	0	0	0	0	111.2	C636	C634-C636 PolarHBondContact O-N 3.15Å; C634-C636 VanDerWaalsContact O-N 3.13Å
635	V	31.1	Very low	34.2	Very low	112 Å²	112	82.7 Å²	82.7	68%	0.679	51%	0.512	S	S	*	.			trans	-77.2	92.9	165.5	-176.6	0	0	0	0	108.3	V633 V637	V633-V635 VanDerWaalsContact C-N 3.33Å; V633-V635 HydrophobicContact CG1-CG2 4.27Å; V633-V635 PolarHBondContact O-N 2.94Å; V635-V637 PolarHBondContact O-N 3.19Å; V635-V637 VanDerWaalsContact O-N 3.16Å
636	C	32.7	Very low	33.9	Very low	79 Å²	79	87.8 Å²	87.8	53%	0.534	53%	0.532	S	S	.	.			trans	-75	99.2	175.4	-68.8	0	0	0	0	110.2	C634 C638	C634-C636 PolarHBondContact O-N 3.15Å; C634-C636 VanDerWaalsContact O-N 3.13Å; C636-C638 VanDerWaalsContact C-N 3.29Å; C636-C638 PolarHBondContact O-N 3.19Å
637	V	33.4	Very low	33.8	Very low	86 Å²	86	94 Å²	94	52%	0.521	57%	0.569	S	S	.	*			trans	-74	88.5	166.7	-176.3	0	0	0	0	108.6	V635 V639	V635-V637 PolarHBondContact O-N 3.19Å; V635-V637 VanDerWaalsContact O-N 3.16Å; V637-V639 PolarHBondContact O-N 3.18Å
638	C	34.8	Very low	33.9	Very low	31 Å²	31	92.7 Å²	92.7	21%	0.209	57%	0.571	C	S	.	*			trans	-76.3	101.4	174.5	-70.3	0	0	0	0	110.2	C636 C640	C636-C638 VanDerWaalsContact C-N 3.29Å; C636-C638 PolarHBondContact O-N 3.19Å; C638-C640 VanDerWaalsContact C-N 3.3Å; C638-C640 PolarHBondContact O-N 3.04Å
639	V	36	Very low	33.8	Very low	53 Å²	53	93.9 Å²	93.9	32%	0.321	59%	0.586	S	S	.	*			trans	-76.8	88.4	162.5	-177.4	0	0	0	0	107.7	M623 V637 A641 V655	M623-V639 VanDerWaalsContact O-O 3.05Å; V637-V639 PolarHBondContact O-N 3.18Å; V639-A641 PolarHBondContact O-N 2.78Å; V639-V655 HydrophobicContact CG1-CG1 4.4Å
640	C	36.9	Very low	33.7	Very low	19 Å²	19	95.5 Å²	95.5	13%	0.128	59%	0.586	C	S	.	*			trans	-75.4	101.1	174.3	-61.9	0	0	0	0	109.8	C624 C638 C642	C624-C640 VanDerWaalsContact SG-SG 3.68Å; C638-C640 VanDerWaalsContact C-N 3.3Å; C638-C640 PolarHBondContact O-N 3.04Å; C640-C642 VanDerWaalsContact C-N 3.28Å; C640-C642 PolarHBondContact O-N 2.7Å
641	A	40.3	Very low	33.4	Very low	59 Å²	59	95.5 Å²	95.5	49%	0.488	59%	0.587	S	S	.	*			trans	-74.5	83	166.6	0	0	0	0	0	109.6	V621 V639 A643	V621-A641 VanDerWaalsContact O-O 3.05Å; V639-A641 PolarHBondContact O-N 2.78Å; A641-A643 PolarHBondContact O-N 3.19Å
642	C	40.2	Very low	33.2	Very low	47 Å²	47	97.2 Å²	97.2	32%	0.318	59%	0.587	S	S	.	*			trans	-79.5	99	176.7	-67.7	0	0	0	0	110.4	L620 C640 R644	L620-C642 HydrophobicContact CD1-CB 3.8Å; C640-C642 VanDerWaalsContact C-N 3.28Å; C640-C642 PolarHBondContact O-N 2.7Å; C642-R644 PolarHBondContact O-N 2.58Å
643	A	41.5	Very low	33	Very low	19 Å²	19	96.4 Å²	96.4	16%	0.157	58%	0.578	C	S	.	*			trans	-72	124.2	164	0	0	0	0	0	109.7	V613 A641	V613-A643 HydrophobicContact CG1-CB 4.24Å; V613-A643 HydrophobicContact CG2-CB 4.46Å; A641-A643 PolarHBondContact O-N 3.19Å
644	R	37.5	Very low	32.9	Very low	193 Å²	193	96.6 Å²	96.6	73%	0.728	58%	0.575	S	S	*	*			trans	-135.7	118.1	156	-76.1	-172.8	177	-168	-1.3	105.5	C642 H646	C642-R644 PolarHBondContact O-N 2.58Å; R644-H646 PolarHBondContact O-N 2.82Å
645	S	34.6	Very low	32.8	Very low	45 Å²	45	94.5 Å²	94.5	32%	0.315	56%	0.559	S	S	.	*			trans	-75.4	126.7	167.6	69.1	0	0	0	0	107.7	D617	D617-S645 WeakPolarHBondContact CA-OG 3.43Å; D617-S645 PolarHBondContact O-OG 2.93Å; D617-S645 VanDerWaalsContact OD1-CB 3.23Å; D617-S645 WeakPolarHBondContact OD1-CB 3.41Å; D617-S645 PolarHBondContact OD1-OG 2.98Å
646	H	32	Very low	32.6	Very low	161 Å²	161	93.9 Å²	93.9	75%	0.745	55%	0.552	S	S	*	*			trans	-102.6	128.5	162.6	-92.5	-70.5	0	0	0	106.8	R644 A648	R644-H646 PolarHBondContact O-N 2.82Å; H646-A648 VanDerWaalsContact C-N 3.28Å; H646-A648 PolarHBondContact O-N 3.3Å
647	T	34.4	Very low	32.2	Very low	143 Å²	143	96.5 Å²	96.5	88%	0.877	56%	0.559	S	S	*	*	S	Bend	trans	-73.6	75	-177.4	41.5	0	0	0	0	112.5
648	A	30.1	Very low	31.8	Very low	84 Å²	84	96.2 Å²	96.2	69%	0.694	56%	0.56	S	S	*	*	S	Bend	trans	-160.3	148.1	154.1	0	0	0	0	0	109.4	H646 E650	H646-A648 VanDerWaalsContact C-N 3.28Å; H646-A648 PolarHBondContact O-N 3.3Å; A648-E650 PolarHBondContact O-N 2.79Å
649	A	31.2	Very low	31.2	Very low	109 Å²	109	99.1 Å²	99.1	90%	0.901	59%	0.586	S	S	*	*	S	Bend	trans	-64.1	89.2	-171.9	0	0	0	0	0	114.2
650	E	25.5	Very low	30.5	Very low	158 Å²	158	102.1 Å²	102.1	74%	0.738	61%	0.609	S	S	*	*			trans	-163.4	119.3	155.8	-115.7	165.8	-151.1	0	0	110.7	A648 H652	A648-E650 PolarHBondContact O-N 2.79Å; E650-H652 VanDerWaalsContact C-N 3.33Å; E650-H652 PolarHBondContact O-N 3.22Å
651	S	26.6	Very low	29.9	Very low	123 Å²	123	110.9 Å²	110.9	86%	0.86	66%	0.662	S	S	*	*			trans	-80.3	73.4	-175.5	58.6	0	0	0	0	112.2
652	H	26.1	Very low	29.4	Very low	147 Å²	147	113.5 Å²	113.5	68%	0.681	67%	0.671	S	S	*	*			trans	-99	103.5	174.9	-87.6	-68.5	0	0	0	112.5	E650 N654	E650-H652 VanDerWaalsContact C-N 3.33Å; E650-H652 PolarHBondContact O-N 3.22Å; H652-N654 PolarHBondContact O-N 3.03Å; H652-N654 VanDerWaalsContact O-N 3.13Å
653	V	30.4	Very low	28.8	Very low	119 Å²	119	117 Å²	117	72%	0.721	69%	0.689	S	S	*	*			trans	-72.7	99.6	169.7	-179.8	0	0	0	0	109.3	V655	V653-V655 HydrophobicContact CG1-CG2 4.15Å; V653-V655 PolarHBondContact O-N 3.08Å
654	N	26.4	Very low	28.1	Very low	117 Å²	117	122.4 Å²	122.4	63%	0.626	72%	0.719	S	S	*	*			trans	-79.2	97.5	175.5	-100.8	-39.1	0	0	0	111.3	H652 N656	H652-N654 PolarHBondContact O-N 3.03Å; H652-N654 VanDerWaalsContact O-N 3.13Å; N654-N656 VanDerWaalsContact C-N 3.35Å; N654-N656 PolarHBondContact O-N 3.11Å
655	V	27.9	Very low	27.6	Very low	81 Å²	81	118.3 Å²	118.3	49%	0.491	72%	0.718	S	S	.	*			trans	-78.3	83.4	172.5	-174.1	0	0	0	0	109.6	V639 V653 L657	V639-V655 HydrophobicContact CG1-CG1 4.4Å; V653-V655 HydrophobicContact CG1-CG2 4.15Å; V653-V655 PolarHBondContact O-N 3.08Å; V655-L657 HydrophobicContact CG1-CD1 4.31Å; V655-L657 PolarHBondContact O-N 2.76Å
656	N	25.7	Very low	27.1	Very low	99 Å²	99	122.9 Å²	122.9	53%	0.529	74%	0.744	S	S	.	*			trans	-76.5	106.9	172.5	-79.4	-24	0	0	0	110.6	N654 C658	N654-N656 VanDerWaalsContact C-N 3.35Å; N654-N656 PolarHBondContact O-N 3.11Å; N656-C658 PolarHBondContact O-N 3.42Å
657	L	25.5	Very low	26.8	Very low	133 Å²	133	120.3 Å²	120.3	70%	0.696	74%	0.743	S	S	*	*			trans	-69.9	93.8	164	-84.7	88.5	0	0	0	109.7	V655 A659	V655-L657 HydrophobicContact CG1-CD1 4.31Å; V655-L657 PolarHBondContact O-N 2.76Å; L657-A659 PolarHBondContact O-N 2.87Å
658	C	23.9	Very low	26.3	Very low	80 Å²	80	118.7 Å²	118.7	54%	0.541	73%	0.734	S	S	.	*			trans	-76.7	104.4	160.4	-81.4	0	0	0	0	109.5	N656 C660	N656-C658 PolarHBondContact O-N 3.42Å; C658-C660 PolarHBondContact O-N 3.4Å
659	A	21.8	Very low	26	Very low	92 Å²	92	121.4 Å²	121.4	76%	0.76	74%	0.737	S	S	*	*			trans	-74.2	101.2	164.5	0	0	0	0	0	109.2	L657 T661	L657-A659 PolarHBondContact O-N 2.87Å; A659-T661 PolarHBondContact O-N 3.02Å
660	C	22.4	Very low	25.5	Very low	117 Å²	117	122.4 Å²	122.4	79%	0.791	72%	0.723	S	S	*	*			trans	-80.1	111.5	165.2	-64.8	0	0	0	0	108.8	C658	C658-C660 PolarHBondContact O-N 3.4Å
661	T	24.2	Very low	25.5	Very low	203 Å²	203	119.2 Å²	119.2	100%	1.245	72%	0.722	S	S	*	*			trans	-87.1	0	171.9	54.1	0	0	0	0	111.8	A659	A659-T661 PolarHBondContact O-N 3.02Å

Retrieved 661 of 661 residues in 643.2 ms (Link to these results)

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