A0A087YHL5_POEFO Loading...

Angiopoietin-like 2b

AlphaFold DB , UniProt , Accession A0A087YHL5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 518 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	34.6	Very low	35.8	Very low	236 Å²	236	142.5 Å²	142.5	100%	1.163	82%	0.819	S	S	*	*				0	95.4	0	-67.4	173.2	174.1	0	0	107
2	E	36.4	Very low	35.5	Very low	182 Å²	182	140.9 Å²	140.9	85%	0.85	81%	0.813	S	S	*	*			cis	52.5	148.4	17.8	-76.2	-167.4	154.6	0	0	115.1
3	P	53.7	Low	35.1	Very low	114 Å²	114	141.1 Å²	141.1	74%	0.74	81%	0.808	S	S	*	*			cis	-126.2	-151.7	5.4	45.3	-28.3	0	0	0	110.2
4	P	51.3	Low	34.7	Very low	118 Å²	118	139.6 Å²	139.6	77%	0.766	80%	0.802	S	S	*	*			cis	-132.4	173.2	-9.4	39.6	-21.5	0	0	0	117
5	S	34	Very low	34.5	Very low	115 Å²	115	144.3 Å²	144.3	80%	0.804	80%	0.804	S	S	*	*			trans	-112.6	143.3	178.7	-47.3	0	0	0	0	112.4
6	M	30.5	Very low	34.1	Very low	188 Å²	188	139.3 Å²	139.3	93%	0.926	80%	0.795	S	S	*	*			trans	-160.9	128	154.2	-98.7	-171.6	171.1	0	0	107
7	V	31.7	Very low	33.9	Very low	120 Å²	120	140.8 Å²	140.8	73%	0.727	80%	0.799	S	S	*	*			cis	102.1	134	28	176.4	0	0	0	0	112.5
8	L	30.4	Very low	33.6	Very low	151 Å²	151	139.3 Å²	139.3	79%	0.791	80%	0.799	S	S	*	*			trans	79.8	140.8	-175.4	-49.3	178.6	0	0	0	115.8
9	L	29.8	Very low	33.4	Very low	149 Å²	149	144.6 Å²	144.6	78%	0.78	81%	0.805	S	S	*	*			cis	-156.4	137.9	-6.7	-115.7	163.2	0	0	0	109.2
10	G	29.6	Very low	33.1	Very low	66 Å²	66	140.9 Å²	140.9	68%	0.68	80%	0.8	S	S	*	*			trans	-136.5	107.8	175.3	0	0	0	0	0	111.1	V12	G10-V12 PolarHBondContact O-N 3.39Å
11	V	31.7	Very low	32.9	Very low	129 Å²	129	140.7 Å²	140.7	78%	0.782	80%	0.802	S	S	*	*			trans	-78.6	119.4	-175.8	177.1	0	0	0	0	110.4
12	V	32.7	Very low	32.6	Very low	123 Å²	123	138.4 Å²	138.4	75%	0.745	79%	0.788	S	S	*	*			trans	-106.1	115.9	169.8	179.6	0	0	0	0	108.6	G10 V14	G10-V12 PolarHBondContact O-N 3.39Å; V12-V14 HydrophobicContact CG1-CG2 4.04Å; V12-V14 PolarHBondContact O-N 3.05Å
13	L	29.3	Very low	32.2	Very low	143 Å²	143	137.9 Å²	137.9	75%	0.749	79%	0.786	S	S	*	*			trans	-85	107.5	169.7	-82.2	167.6	0	0	0	109.7	Y15	L13-Y15 HydrophobicContact CD2-CE2 4.3Å
14	V	30.7	Very low	30.9	Very low	120 Å²	120	139 Å²	139	73%	0.727	79%	0.791	S	S	*	*			trans	-95.4	119.8	167.8	179.5	0	0	0	0	108.5	V12	V12-V14 HydrophobicContact CG1-CG2 4.04Å; V12-V14 PolarHBondContact O-N 3.05Å
15	Y	31	Very low	29.8	Very low	210 Å²	210	142 Å²	142	82%	0.824	80%	0.795	S	S	*	*			trans	-117.5	103.1	160.1	-83.9	-77	0	0	0	108.8	L13	L13-Y15 HydrophobicContact CD2-CE2 4.3Å
16	G	27.8	Very low	29.5	Very low	64 Å²	64	141.1 Å²	141.1	66%	0.66	79%	0.794	S	S	*	*			trans	-89.5	143.1	164.5	0	0	0	0	0	110
17	L	31.3	Very low	29.3	Very low	166 Å²	166	136.7 Å²	136.7	87%	0.869	78%	0.781	S	S	*	*			trans	-123.8	116.3	162.8	-78.7	174.8	0	0	0	109.1
18	S	27.8	Very low	29.1	Very low	113 Å²	113	139 Å²	139	79%	0.79	79%	0.789	S	S	*	*			trans	-72.4	142	175.5	-175.2	0	0	0	0	110.4
19	W	30.6	Very low	28.8	Very low	241 Å²	241	137.5 Å²	137.5	91%	0.913	79%	0.791	S	S	*	*			trans	-110.6	113.8	162.4	-84.1	79.7	0	0	0	108.7
20	G	27.4	Very low	28.7	Very low	70 Å²	70	137.7 Å²	137.7	72%	0.722	79%	0.793	S	S	*	*			trans	-71.3	133.2	-176.5	0	0	0	0	0	112.2
21	V	28.9	Very low	28.6	Very low	136 Å²	136	141.2 Å²	141.2	82%	0.824	80%	0.796	S	S	*	*			trans	-73.6	131.5	162.3	174.9	0	0	0	0	108
22	Q	27.9	Very low	28.3	Very low	189 Å²	189	139.4 Å²	139.4	88%	0.883	79%	0.789	S	S	*	*			trans	-133.1	121.5	166.1	-155.7	138.6	21	0	0	110.1
23	Q	27.5	Very low	28.1	Very low	171 Å²	171	143.3 Å²	143.3	80%	0.799	80%	0.799	S	S	*	*			trans	-126.9	122.9	-174.3	-171.7	-179.8	32.1	0	0	107.1
24	T	27.6	Very low	28	Very low	138 Å²	138	140.1 Å²	140.1	85%	0.847	80%	0.801	S	S	*	*			trans	-142.1	134.1	172.6	14.8	0	0	0	0	109.3
25	Q	27.9	Very low	27.8	Very low	181 Å²	181	143.1 Å²	143.1	85%	0.846	80%	0.804	S	S	*	*			trans	-103.5	164.3	-176.8	-74.7	179.1	-51.3	0	0	112.1
26	A	27.4	Very low	27.7	Very low	95 Å²	95	140.6 Å²	140.6	79%	0.785	80%	0.799	S	S	*	*			trans	72.6	151	152.5	0	0	0	0	0	118.3
27	S	26.1	Very low	27.6	Very low	95 Å²	95	146.6 Å²	146.6	66%	0.664	81%	0.808	S	S	*	*			cis	-173.9	148.4	-24	52.2	0	0	0	0	110.7
28	L	27	Very low	27.4	Very low	170 Å²	170	144.8 Å²	144.8	89%	0.89	80%	0.804	S	S	*	*			trans	54.2	120.6	149.6	-73	160.7	0	0	0	121.6
29	S	25.6	Very low	27.4	Very low	119 Å²	119	148.1 Å²	148.1	83%	0.832	81%	0.807	S	S	*	*				-170.4	144.4	120.1	59.2	0	0	0	0	113.4
30	D	26.9	Very low	27.1	Very low	152 Å²	152	143.8 Å²	143.8	81%	0.813	80%	0.797	S	S	*	*			trans	-53.6	164.3	172.4	-84.3	-58.7	0	0	0	114.6
31	N	27.5	Very low	27	Very low	140 Å²	140	150.1 Å²	150.1	75%	0.749	80%	0.804	S	S	*	*				-173.6	169.3	52.7	-154.3	-10.9	0	0	0	115.6
32	S	26.3	Very low	26.8	Very low	92 Å²	92	147.5 Å²	147.5	64%	0.643	81%	0.805	S	S	*	*			trans	73.6	96.9	148.9	56.6	0	0	0	0	123.5
33	Q	27.6	Very low	26.6	Very low	205 Å²	205	144 Å²	144	96%	0.958	80%	0.802	S	S	*	*				46.7	137.3	116.5	-63.3	-175.7	-3	0	0	124.1
34	G	26.5	Very low	26.6	Very low	76 Å²	76	140.6 Å²	140.6	78%	0.784	80%	0.796	S	S	*	*			trans	136.9	73.9	154.3	0	0	0	0	0	116
35	K	27.6	Very low	26.8	Very low	182 Å²	182	142.2 Å²	142.2	79%	0.791	80%	0.795	S	S	*	*				72	116	77.7	-131.8	-170.3	-174.6	-178.8	0	117
36	H	28.3	Very low	26.9	Very low	157 Å²	157	140.7 Å²	140.7	73%	0.727	79%	0.792	S	S	*	*			trans	67.8	154.2	165.1	-64.9	-62.6	0	0	0	117.9
37	K	26.2	Very low	27	Very low	191 Å²	191	142 Å²	142	83%	0.83	79%	0.786	S	S	*	*			cis	-154	155.4	1.6	-138.7	176.5	179.9	-174.5	0	111.1
38	T	27.2	Very low	27.2	Very low	128 Å²	128	145.4 Å²	145.4	79%	0.785	80%	0.796	S	S	*	*			trans	-68.5	150.4	162	-22.4	0	0	0	0	111.6
39	Q	26.9	Very low	27.4	Very low	183 Å²	183	145.8 Å²	145.8	86%	0.855	79%	0.793	S	S	*	*				179.8	161.7	117	-161.3	148.8	8.8	0	0	113.1
40	E	25.6	Very low	27.6	Very low	150 Å²	150	143.8 Å²	143.8	70%	0.701	79%	0.791	S	S	*	*			trans	-90.5	175.9	-167.6	-57.9	164.9	119	0	0	117
41	F	25.3	Very low	27.8	Very low	202 Å²	202	144 Å²	144	89%	0.886	79%	0.787	S	S	*	*			trans	73.5	135.8	148.6	-88.2	-72.7	0	0	0	121.3
42	G	24.6	Very low	27.7	Very low	81 Å²	81	145.5 Å²	145.5	84%	0.835	79%	0.787	S	S	*	*			trans	146.4	130.2	162	0	0	0	0	0	114.2
43	S	23.5	Very low	27.9	Very low	117 Å²	117	147.2 Å²	147.2	82%	0.818	79%	0.789	S	S	*	*			trans	-129.5	161.4	-173.9	57.1	0	0	0	0	113.4
44	S	27.7	Very low	28	Very low	98 Å²	98	148.2 Å²	148.2	69%	0.685	79%	0.785	S	S	*	*			trans	126.6	118.1	162.5	76.8	0	0	0	0	111
45	E	30.9	Very low	28.2	Very low	173 Å²	173	149.6 Å²	149.6	81%	0.808	79%	0.789	S	S	*	*				60.1	127.4	87.5	-64.2	172.7	167	0	0	110.7
46	D	29.9	Very low	28.3	Very low	149 Å²	149	144.5 Å²	144.5	80%	0.797	79%	0.789	S	S	*	*			cis	-155.1	172.3	17.7	-88.1	-25.8	0	0	0	108.8
47	D	28.8	Very low	28.5	Very low	121 Å²	121	149.2 Å²	149.2	65%	0.647	80%	0.8	S	S	*	*			cis	-166	171.3	-15.7	167.6	54	0	0	0	107.2	E49	D47-E49 PolarHBondContact OD2-N 3.48Å
48	L	31.2	Very low	28.7	Very low	167 Å²	167	146 Å²	146	87%	0.874	80%	0.802	S	S	*	*			trans	-170.2	109.5	142	-104.2	175.5	0	0	0	111.5
49	E	31	Very low	29.3	Very low	179 Å²	179	149.4 Å²	149.4	84%	0.836	81%	0.806	S	S	*	*			trans	-66.6	160.2	176.1	-70.2	-167	121.1	0	0	115.7	D47	D47-E49 PolarHBondContact OD2-N 3.48Å
50	G	29.4	Very low	29.4	Very low	77 Å²	77	152.7 Å²	152.7	79%	0.794	81%	0.81	S	S	*	*			trans	-175.3	55.9	175.6	0	0	0	0	0	114.9
51	E	30.8	Very low	30.1	Very low	155 Å²	155	150.1 Å²	150.1	72%	0.724	82%	0.815	S	S	*	*			trans	19.1	132.3	163.5	-57.5	-172.7	123.1	0	0	121.5
52	F	27.3	Very low	30.7	Very low	172 Å²	172	146.5 Å²	146.5	75%	0.754	81%	0.812	S	S	*	*				-177	102.3	99.4	-108.3	-84.4	0	0	0	114.3
53	L	29.9	Very low	31.2	Very low	129 Å²	129	147.3 Å²	147.3	68%	0.675	81%	0.81	S	S	*	*			trans	41.4	110.4	142.7	-56.6	178.9	0	0	0	123.7
54	Y	29.2	Very low	31.9	Very low	225 Å²	225	151 Å²	151	88%	0.882	81%	0.814	S	S	*	*				45.3	118.7	123.4	-82.2	-91.6	0	0	0	122.6
55	A	30.9	Very low	32.3	Very low	105 Å²	105	155.1 Å²	155.1	87%	0.868	82%	0.823	S	S	*	*				-162.3	139.4	114.8	0	0	0	0	0	112.6
56	G	29.3	Very low	33	Very low	76 Å²	76	152.6 Å²	152.6	78%	0.784	82%	0.822	S	S	*	*			trans	-88.8	164.7	-176.7	0	0	0	0	0	115.8
57	R	33.8	Very low	33.7	Very low	255 Å²	255	154.3 Å²	154.3	96%	0.962	83%	0.825	S	S	*	*			trans	-65.8	150.9	-175.2	-66	169.1	170.6	164.9	-4.1	114.7
58	S	29.5	Very low	34.2	Very low	125 Å²	125	156.4 Å²	156.4	87%	0.874	84%	0.836	S	S	*	*			trans	-140.2	157.1	141	-162.9	0	0	0	0	111.8
59	K	40.5	Very low	34.7	Very low	198 Å²	198	158 Å²	158	86%	0.861	84%	0.836	S	S	*	*			trans	-87.5	145	-164.9	-63.6	170.4	176.8	174.3	0	113.1
60	R	29.1	Very low	35.2	Very low	252 Å²	252	155.8 Å²	155.8	95%	0.951	84%	0.839	S	S	*	*			trans	-156.6	144.2	145.6	-106.8	171	-165.6	-175	4.1	110.4
61	A	40.1	Very low	35.9	Very low	96 Å²	96	157.3 Å²	157.3	79%	0.793	84%	0.837	S	S	*	*			trans	-85.5	150.5	175.6	0	0	0	0	0	111
62	P	36.9	Very low	36.8	Very low	127 Å²	127	158.7 Å²	158.7	83%	0.825	84%	0.837	S	S	*	*			trans	-84.8	142.6	168	33.6	-31	0	0	0	111.3
63	A	35.2	Very low	37.7	Very low	97 Å²	97	155.8 Å²	155.8	80%	0.802	83%	0.834	S	S	*	*			trans	-85.8	176.7	176.6	0	0	0	0	0	112.3
64	E	38.1	Very low	38.3	Very low	194 Å²	194	157.7 Å²	157.7	91%	0.907	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-55.8	135.8	-178.2	-60.3	173.9	129.7	0	0	113.4
65	Q	37.4	Very low	39.4	Very low	186 Å²	186	154.1 Å²	154.1	87%	0.869	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-85.2	126.6	167.8	-72.1	-179.8	-25.1	0	0	110.2
66	P	45.4	Very low	40.1	Very low	119 Å²	119	154.9 Å²	154.9	77%	0.773	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-73.8	137.5	166.8	30.9	-31.9	0	0	0	110.1
67	Q	43.8	Very low	40.7	Very low	186 Å²	186	156.3 Å²	156.3	87%	0.869	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-65.5	132.1	-178.6	-67.1	179.7	-27.4	0	0	112.3	K69	Q67-K69 PolarHBondContact O-N 2.9Å
68	D	39	Very low	41.4	Very low	164 Å²	164	152.4 Å²	152.4	88%	0.877	81%	0.813	S	S	*	*			trans	-60	115.8	173.3	-70.3	-51	0	0	0	111.6
69	K	42.3	Very low	42.4	Very low	200 Å²	200	155.4 Å²	155.4	87%	0.87	81%	0.814	S	S	*	*			trans	-91	110.6	166.5	-73.9	180	178.5	175.3	0	109	Q67 S71	Q67-K69 PolarHBondContact O-N 2.9Å; K69-S71 PolarHBondContact O-N 3.1Å; K69-S71 VanDerWaalsContact O-N 3.13Å
70	C	40.5	Very low	42.9	Very low	134 Å²	134	154.1 Å²	154.1	91%	0.905	81%	0.808	S	S	*	*			trans	-62.6	113.2	165.3	-60.7	0	0	0	0	109.8
71	S	45.8	Very low	44.1	Very low	109 Å²	109	148.2 Å²	148.2	76%	0.762	80%	0.8	S	S	*	*			trans	-91.9	137.4	164.3	51	0	0	0	0	109.5	K69	K69-S71 PolarHBondContact O-N 3.1Å; K69-S71 VanDerWaalsContact O-N 3.13Å
72	Y	49.4	Very low	44.7	Very low	183 Å²	183	150.3 Å²	150.3	72%	0.718	80%	0.803	S	S	*	*			trans	-108	119.3	173.6	-168.2	-82.5	0	0	0	109.2	F74	Y72-F74 AromaticContact CD1-CD2 3.72Å; Y72-F74 HydrophobicContact CD1-CD2 3.72Å; Y72-F74 AromaticContact CD1-CE2 3.76Å; Y72-F74 HydrophobicContact CD1-CE2 3.76Å; Y72-F74 HydrophobicContact CD1-CG 4.37Å; Y72-F74 HydrophobicContact CD1-CZ 4.44Å; Y72-F74 HydrophobicContact CE1-CD1 4.08Å; Y72-F74 AromaticContact CE1-CD2 3.51Å; Y72-F74 HydrophobicContact CE1-CD2 3.51Å; Y72-F74 AromaticContact CE1-CE1 3.99Å; Y72-F74 HydrophobicContact CE1-CE1 3.99Å; Y72-F74 AromaticContact CE1-CE2 3.4Å; Y72-F74 HydrophobicContact CE1-CE2 3.4Å; Y72-F74 AromaticContact CE1-CG 3.86Å; Y72-F74 HydrophobicContact CE1-CG 3.86Å; Y72-F74 AromaticContact CE1-CZ 3.65Å; Y72-F74 HydrophobicContact CE1-CZ 3.65Å
73	T	46	Very low	45.4	Very low	111 Å²	111	146.6 Å²	146.6	68%	0.681	79%	0.787	S	S	*	*			trans	-109.5	111.7	179.1	-49.8	0	0	0	0	109	I75	T73-I75 PolarHBondContact O-N 3.46Å
74	F	41.2	Very low	46.1	Very low	169 Å²	169	146.4 Å²	146.4	74%	0.741	79%	0.786	S	S	*	*			trans	-71.3	109.5	169.8	-89.2	-82.6	0	0	0	109.8	Y72 V76	Y72-F74 AromaticContact CD1-CD2 3.72Å; Y72-F74 HydrophobicContact CD1-CD2 3.72Å; Y72-F74 AromaticContact CD1-CE2 3.76Å; Y72-F74 HydrophobicContact CD1-CE2 3.76Å; Y72-F74 HydrophobicContact CD1-CG 4.37Å; Y72-F74 HydrophobicContact CD1-CZ 4.44Å; Y72-F74 HydrophobicContact CE1-CD1 4.08Å; Y72-F74 AromaticContact CE1-CD2 3.51Å; Y72-F74 HydrophobicContact CE1-CD2 3.51Å; Y72-F74 AromaticContact CE1-CE1 3.99Å; Y72-F74 HydrophobicContact CE1-CE1 3.99Å; Y72-F74 AromaticContact CE1-CE2 3.4Å; Y72-F74 HydrophobicContact CE1-CE2 3.4Å; Y72-F74 AromaticContact CE1-CG 3.86Å; Y72-F74 HydrophobicContact CE1-CG 3.86Å; Y72-F74 AromaticContact CE1-CZ 3.65Å; Y72-F74 HydrophobicContact CE1-CZ 3.65Å; F74-V76 PolarHBondContact O-N 3.34Å
75	I	53.4	Low	46.6	Very low	150 Å²	150	144 Å²	144	77%	0.769	78%	0.778	S	S	*	*			trans	-86.9	106.5	167.6	-59.9	174.7	0	0	0	107.5	T73 P77	T73-I75 PolarHBondContact O-N 3.46Å; I75-P77 WeakPolarHBondContact O-CD 3.47Å
76	V	45.1	Very low	46.9	Very low	121 Å²	121	140.8 Å²	140.8	73%	0.733	77%	0.774	S	S	*	*			trans	-74.7	121	169.9	-177.3	0	0	0	0	108	F74 Q78	F74-V76 PolarHBondContact O-N 3.34Å; V76-Q78 PolarHBondContact O-N 3.13Å
77	P	42.9	Very low	47	Very low	107 Å²	107	140.7 Å²	140.7	70%	0.695	77%	0.771	S	S	*	*			trans	-68.6	119.3	178.2	27.3	-32.8	0	0	0	109.8	I75 Q79	I75-P77 WeakPolarHBondContact O-CD 3.47Å; P77-Q79 PolarHBondContact O-N 3.41Å
78	Q	47.8	Very low	46.9	Very low	173 Å²	173	138 Å²	138	81%	0.808	76%	0.763	S	S	*	*			trans	-69.1	96.7	168.9	-70.7	-173.2	-3.5	0	0	109.2	V76 K80	V76-Q78 PolarHBondContact O-N 3.13Å; Q78-K80 VanDerWaalsContact C-N 3.34Å; Q78-K80 PolarHBondContact O-N 3.11Å
79	Q	50.3	Low	47.5	Very low	188 Å²	188	135.4 Å²	135.4	88%	0.879	76%	0.758	S	S	*	*			trans	-64.1	97.3	163.4	-92.2	-175	-30	0	0	108.9	P77 V81	P77-Q79 PolarHBondContact O-N 3.41Å; Q79-V81 PolarHBondContact O-N 3.31Å
80	K	52.2	Low	47.8	Very low	170 Å²	170	134.6 Å²	134.6	74%	0.739	75%	0.754	S	S	*	*			trans	-68.1	115.3	165.5	-72.2	-177.1	176.1	179.8	0	108.1	Q78 T82	Q78-K80 VanDerWaalsContact C-N 3.34Å; Q78-K80 PolarHBondContact O-N 3.11Å; K80-T82 PolarHBondContact O-N 3.1Å
81	V	53	Low	48	Very low	128 Å²	128	136.4 Å²	136.4	78%	0.776	75%	0.75	S	S	*	*			trans	-69.4	93.9	173.1	-178.7	0	0	0	0	108.4	Q79 G83	Q79-V81 PolarHBondContact O-N 3.31Å; V81-G83 PolarHBondContact O-N 3.38Å
82	T	53.4	Low	48	Very low	140 Å²	140	136.8 Å²	136.8	86%	0.859	75%	0.749	S	S	*	*			trans	-90.4	75.7	172.1	53.2	0	0	0	0	109.7	K80	K80-T82 PolarHBondContact O-N 3.1Å
83	G	50.9	Low	47.8	Very low	49 Å²	49	137.8 Å²	137.8	51%	0.505	76%	0.761	S	S	.	*	S	Bend	trans	-149.1	143.2	172.7	0	0	0	0	0	109.5	V81 I85	V81-G83 PolarHBondContact O-N 3.38Å; G83-I85 PolarHBondContact O-N 3.04Å; G83-I85 VanDerWaalsContact O-N 3.15Å
84	A	51	Low	48	Very low	93 Å²	93	136.3 Å²	136.3	77%	0.769	76%	0.759	S	S	*	*			trans	-66.7	113.9	178.2	0	0	0	0	0	109.8	C86	A84-C86 VanDerWaalsContact C-N 3.33Å; A84-C86 PolarHBondContact O-N 3.49Å
85	I	48.7	Very low	48.2	Very low	145 Å²	145	137.4 Å²	137.4	74%	0.744	77%	0.769	S	S	*	*			trans	-76.4	90.3	171.1	-56.6	176.7	0	0	0	107.4	G83 V87	G83-I85 PolarHBondContact O-N 3.04Å; G83-I85 VanDerWaalsContact O-N 3.15Å; I85-V87 VanDerWaalsContact C-N 3.34Å; I85-V87 HydrophobicContact CG2-CG2 3.98Å; I85-V87 PolarHBondContact O-N 3.25Å
86	C	42.6	Very low	48	Very low	117 Å²	117	138.4 Å²	138.4	79%	0.791	78%	0.775	S	S	*	*			trans	-73.2	86.4	173.9	-66.2	0	0	0	0	110.3	A84 N88	A84-C86 VanDerWaalsContact C-N 3.33Å; A84-C86 PolarHBondContact O-N 3.49Å; C86-N88 PolarHBondContact O-N 3.09Å
87	V	48.1	Very low	48.2	Very low	117 Å²	117	140.4 Å²	140.4	71%	0.709	78%	0.777	S	S	*	*			trans	-74.5	106.7	164.9	-175.5	0	0	0	0	107.8	I85 S89	I85-V87 VanDerWaalsContact C-N 3.34Å; I85-V87 HydrophobicContact CG2-CG2 3.98Å; I85-V87 PolarHBondContact O-N 3.25Å; V87-S89 VanDerWaalsContact C-N 3.33Å; V87-S89 PolarHBondContact O-N 3.47Å
88	N	41.2	Very low	48.8	Very low	129 Å²	129	142.3 Å²	142.3	69%	0.69	78%	0.781	S	S	*	*			trans	-75.5	84.3	178.2	-171	33.8	0	0	0	110.5	C86 K90	C86-N88 PolarHBondContact O-N 3.09Å; N88-K90 PolarHBondContact O-N 3.36Å
89	S	51	Low	49	Very low	110 Å²	110	145.7 Å²	145.7	77%	0.769	79%	0.786	S	S	*	*			trans	-78	62.8	178.2	46	0	0	0	0	112.3	V87	V87-S89 VanDerWaalsContact C-N 3.33Å; V87-S89 PolarHBondContact O-N 3.47Å
90	K	48.5	Very low	49.4	Very low	183 Å²	183	141.6 Å²	141.6	80%	0.796	77%	0.774	S	S	*	*			trans	-166.2	81.2	166.4	-111.9	165.9	-171.5	-178.9	0	112.7	N88	N88-K90 PolarHBondContact O-N 3.36Å
91	E	45.3	Very low	50	Low	173 Å²	173	139.1 Å²	139.1	81%	0.808	77%	0.765	S	S	*	*			trans	-128.5	147.5	151.4	-75.3	-168	164	0	0	108.3
92	P	46.2	Very low	50.8	Low	117 Å²	117	140.4 Å²	140.4	76%	0.76	76%	0.76	S	S	*	*			trans	-72.5	155.8	-165.6	28.7	-36	0	0	0	113.8	A94	P92-A94 VanDerWaalsContact C-N 3.28Å; P92-A94 PolarHBondContact O-N 2.94Å
93	E	45.5	Very low	51.7	Low	204 Å²	204	139.7 Å²	139.7	95%	0.953	75%	0.747	S	S	*	*	S	Bend	trans	-67.2	77.2	177	-66.1	175.1	126.9	0	0	112.5
94	A	49.4	Very low	52.8	Low	79 Å²	79	143.2 Å²	143.2	65%	0.653	75%	0.75	S	S	*	*			trans	-149.3	134.1	163.1	0	0	0	0	0	109.6	P92	P92-A94 VanDerWaalsContact C-N 3.28Å; P92-A94 PolarHBondContact O-N 2.94Å
95	M	46.3	Very low	54	Low	192 Å²	192	143 Å²	143	95%	0.946	74%	0.736	S	S	*	*			trans	74.9	52.4	-176.4	-48.7	-158.7	175.9	0	0	116.2	E97	M95-E97 VanDerWaalsContact C-N 3.3Å
96	L	48.8	Very low	55.6	Low	171 Å²	171	140.8 Å²	140.8	90%	0.895	72%	0.722	S	S	*	*			trans	-95.7	35.5	165.7	-128.6	164.2	0	0	0	112.6
97	E	49.9	Very low	57.6	Low	164 Å²	164	140.7 Å²	140.7	77%	0.766	71%	0.713	S	S	*	*	S	Bend	trans	-124.1	135.5	167.6	-70.7	-169.6	156.3	0	0	110.1	M95	M95-E97 VanDerWaalsContact C-N 3.3Å
98	N	54.7	Low	59.2	Low	147 Å²	147	140.6 Å²	140.6	79%	0.786	71%	0.708	S	S	*	*			trans	67.4	74	169	-51.9	-49.8	0	0	0	117.7
99	R	52.5	Low	61.4	Low	243 Å²	243	138.8 Å²	138.8	92%	0.917	70%	0.699	S	S	*	*			trans	-146	36.3	152.5	-136	-177	-67.6	-175.3	3	117.5
100	V	58.2	Low	63.3	Low	103 Å²	103	138 Å²	138	62%	0.624	69%	0.688	S	S	*	*	S	Bend	trans	-104.5	117	139.2	-179.5	0	0	0	0	105.2	K102 L105	V100-K102 PolarHBondContact O-N 3.13Å; V100-L105 HydrophobicContact CG1-CD1 3.57Å; V100-L105 HydrophobicContact CG1-CG 3.71Å
101	H	64.8	Low	65.2	Low	117 Å²	117	132.8 Å²	132.8	54%	0.542	67%	0.667	S	S	.	*			trans	-69.7	123.6	-178.3	-132.1	42.3	0	0	0	107.6	Q103 E104 L105	H101-Q103 PolarHBondContact O-N 3.41Å; H101-E104 HydrophobicContact CB-CB 4.37Å; H101-E104 HydrophobicContact CB-CG 3.86Å; H101-E104 WeakPolarHBondContact CB-OE2 3.42Å; H101-E104 PolarHBondContact N-OE2 2.9Å; H101-E104 WeakPolarHBondContact O-CB 3.44Å; H101-E104 PolarHBondContact O-N 2.69Å; H101-L105 PolarHBondContact O-N 3.28Å
102	K	70.7	Confident	67.3	Low	155 Å²	155	129.4 Å²	129.4	67%	0.674	65%	0.654	S	S	*	*	H	α-helix	trans	-49.4	-35.9	177.5	176.2	177.1	167.6	-179.5	0	111.5	V100 L105 E106	V100-K102 PolarHBondContact O-N 3.13Å; K102-L105 PolarHBondContact O-N 3.16Å; K102-E106 WeakPolarHBondContact CE-OE1 3.38Å; K102-E106 IonicContact NZ-OE1 3.24Å; K102-E106 WeakPolarHBondContact O-CG 3.33Å; K102-E106 PolarHBondContact O-N 3.08Å
103	Q	72.2	Confident	69.5	Low	126 Å²	126	128.8 Å²	128.8	59%	0.589	64%	0.641	S	S	*	*	H	α-helix	trans	-66	-31.9	177.3	-161.2	158	-6.6	0	0	114	H101 L107	H101-Q103 PolarHBondContact O-N 3.41Å; Q103-L107 WeakPolarHBondContact O-CB 3.43Å; Q103-L107 WeakPolarHBondContact O-CD1 3.38Å; Q103-L107 WeakPolarHBondContact O-CG 3.4Å; Q103-L107 PolarHBondContact O-N 2.92Å
104	E	73.9	Confident	71.7	Confident	122 Å²	122	123.7 Å²	123.7	57%	0.57	62%	0.616	S	S	*	*	H	α-helix	trans	-72.4	-40.3	174.4	-67.1	171	144.3	0	0	111.3	H101 L107 L108	H101-E104 HydrophobicContact CB-CB 4.37Å; H101-E104 HydrophobicContact CB-CG 3.86Å; H101-E104 WeakPolarHBondContact CB-OE2 3.42Å; H101-E104 PolarHBondContact N-OE2 2.9Å; H101-E104 WeakPolarHBondContact O-CB 3.44Å; H101-E104 PolarHBondContact O-N 2.69Å; E104-L107 PolarHBondContact O-N 3.3Å; E104-L108 WeakPolarHBondContact O-CB 3.41Å; E104-L108 PolarHBondContact O-N 3.05Å
105	L	76.4	Confident	73.6	Confident	90 Å²	90	124.8 Å²	124.8	47%	0.471	61%	0.607	S	S	.	*	H	α-helix	trans	-65.2	-37.1	172.6	-80.8	168.6	0	0	0	112.4	V100 H101 K102 N109	V100-L105 HydrophobicContact CG1-CD1 3.57Å; V100-L105 HydrophobicContact CG1-CG 3.71Å; H101-L105 PolarHBondContact O-N 3.28Å; K102-L105 PolarHBondContact O-N 3.16Å; L105-N109 WeakPolarHBondContact O-CB 3.43Å; L105-N109 PolarHBondContact O-N 3.34Å; L105-N109 PolarHBondContact O-ND2 3.03Å; L105-N109 VanDerWaalsContact O-ND2 3.14Å
106	E	80.8	Confident	75.7	Confident	98 Å²	98	121.8 Å²	121.8	46%	0.458	59%	0.589	S	S	.	*	H	α-helix	trans	-67.9	-44.3	174.4	-76.4	172.3	175.8	0	0	111.5	K102 L108 N109 V110	K102-E106 WeakPolarHBondContact CE-OE1 3.38Å; K102-E106 IonicContact NZ-OE1 3.24Å; K102-E106 WeakPolarHBondContact O-CG 3.33Å; K102-E106 PolarHBondContact O-N 3.08Å; E106-L108 PolarHBondContact O-N 2.81Å; E106-N109 PolarHBondContact O-N 3.02Å; E106-V110 WeakPolarHBondContact O-CG2 3.35Å; E106-V110 PolarHBondContact O-N 3.46Å
107	L	84.8	Confident	77.7	Confident	115 Å²	115	121 Å²	121	60%	0.602	57%	0.574	S	S	*	*	H	α-helix	trans	-60.8	-43.4	174	-75	167.3	0	0	0	112.2	Q103 E104 V110 E111	Q103-L107 WeakPolarHBondContact O-CB 3.43Å; Q103-L107 WeakPolarHBondContact O-CD1 3.38Å; Q103-L107 WeakPolarHBondContact O-CG 3.4Å; Q103-L107 PolarHBondContact O-N 2.92Å; E104-L107 PolarHBondContact O-N 3.3Å; L107-V110 PolarHBondContact O-N 3.27Å; L107-E111 PolarHBondContact O-N 3.29Å
108	L	82.6	Confident	79.5	Confident	114 Å²	114	118.2 Å²	118.2	60%	0.597	56%	0.561	S	S	*	*	H	α-helix	trans	-62.4	-44.4	176.2	-164.4	85	0	0	0	111.3	E104 E106 V110 E111 L112	E104-L108 WeakPolarHBondContact O-CB 3.41Å; E104-L108 PolarHBondContact O-N 3.05Å; E106-L108 PolarHBondContact O-N 2.81Å; L108-V110 VanDerWaalsContact C-N 3.35Å; L108-V110 PolarHBondContact O-N 3.02Å; L108-E111 PolarHBondContact O-N 2.98Å; L108-L112 VanDerWaalsContact O-CB 3.28Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L108-L112 PolarHBondContact O-N 2.89Å
109	N	86.2	Confident	81	Confident	92 Å²	92	115.9 Å²	115.9	49%	0.492	55%	0.547	S	S	.	.	H	α-helix	trans	-62.9	-38.6	176.2	-88.5	-47.5	0	0	0	112.6	L105 E106 Q113	L105-N109 WeakPolarHBondContact O-CB 3.43Å; L105-N109 PolarHBondContact O-N 3.34Å; L105-N109 PolarHBondContact O-ND2 3.03Å; L105-N109 VanDerWaalsContact O-ND2 3.14Å; E106-N109 PolarHBondContact O-N 3.02Å; N109-Q113 WeakPolarHBondContact O-CB 3.36Å; N109-Q113 VanDerWaalsContact O-CG 3.29Å; N109-Q113 WeakPolarHBondContact O-CG 3.3Å; N109-Q113 PolarHBondContact O-N 2.68Å
110	V	90.9	Very high	82.7	Confident	92 Å²	92	108.4 Å²	108.4	56%	0.558	52%	0.523	S	S	*	.	H	α-helix	trans	-63.6	-45.8	175.6	167.4	0	0	0	0	111	E106 L107 L108 Q113 K114	E106-V110 WeakPolarHBondContact O-CG2 3.35Å; E106-V110 PolarHBondContact O-N 3.46Å; L107-V110 PolarHBondContact O-N 3.27Å; L108-V110 VanDerWaalsContact C-N 3.35Å; L108-V110 PolarHBondContact O-N 3.02Å; V110-Q113 PolarHBondContact O-N 3.42Å; V110-K114 WeakPolarHBondContact O-CB 3.49Å; V110-K114 PolarHBondContact O-N 3.46Å
111	E	88.3	Confident	84.1	Confident	75 Å²	75	107.5 Å²	107.5	35%	0.35	52%	0.518	S	S	.	.	H	α-helix	trans	-68.7	-37.3	178.8	-167.9	57.7	-146.5	0	0	112	L107 L108 K114 Q115	L107-E111 PolarHBondContact O-N 3.29Å; L108-E111 PolarHBondContact O-N 2.98Å; E111-K114 WeakPolarHBondContact O-CB 3.5Å; E111-K114 PolarHBondContact O-N 2.94Å; E111-K114 IonicContact OE1-NZ 2.74Å; E111-K114 PolarHBondContact OE1-NZ 3.46Å; E111-K114 IonicContact OE2-NZ 2.69Å; E111-K114 PolarHBondContact OE2-NZ 3.48Å; E111-Q115 WeakPolarHBondContact O-CG 3.36Å; E111-Q115 PolarHBondContact O-N 2.98Å
112	L	90.8	Very high	84.8	Confident	102 Å²	102	107.2 Å²	107.2	53%	0.534	52%	0.52	S	S	.	.	H	α-helix	trans	-67.9	-38.7	176.7	-159.5	155.1	0	0	0	111.7	L108 K114 Q115 K116	L108-L112 VanDerWaalsContact O-CB 3.28Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L108-L112 PolarHBondContact O-N 2.89Å; L112-K114 VanDerWaalsContact C-N 3.33Å; L112-Q115 PolarHBondContact O-N 3.38Å; L112-K116 WeakPolarHBondContact O-CB 3.48Å; L112-K116 PolarHBondContact O-N 3.44Å
113	Q	91.5	Very high	85.2	Confident	103 Å²	103	105.5 Å²	105.5	48%	0.481	51%	0.514	S	S	.	.	H	α-helix	trans	-63.6	-37.3	169.8	-76.5	-176	17.4	0	0	112.6	N109 V110 K116 R117	N109-Q113 WeakPolarHBondContact O-CB 3.36Å; N109-Q113 VanDerWaalsContact O-CG 3.29Å; N109-Q113 WeakPolarHBondContact O-CG 3.3Å; N109-Q113 PolarHBondContact O-N 2.68Å; V110-Q113 PolarHBondContact O-N 3.42Å; Q113-K116 PolarHBondContact O-N 3.08Å; Q113-R117 WeakPolarHBondContact O-CG 3.44Å; Q113-R117 PolarHBondContact O-N 3.18Å; Q113-R117 VanDerWaalsContact O-N 3.13Å
114	K	92.6	Very high	85.6	Confident	98 Å²	98	105.8 Å²	105.8	43%	0.426	52%	0.515	S	S	.	.	H	α-helix	trans	-67	-44.4	176.8	169.2	167.7	158.2	-100.3	0	111.5	V110 E111 L112 K116 R117 Q118	V110-K114 WeakPolarHBondContact O-CB 3.49Å; V110-K114 PolarHBondContact O-N 3.46Å; E111-K114 WeakPolarHBondContact O-CB 3.5Å; E111-K114 PolarHBondContact O-N 2.94Å; E111-K114 IonicContact OE1-NZ 2.74Å; E111-K114 PolarHBondContact OE1-NZ 3.46Å; E111-K114 IonicContact OE2-NZ 2.69Å; E111-K114 PolarHBondContact OE2-NZ 3.48Å; L112-K114 VanDerWaalsContact C-N 3.33Å; K114-K116 PolarHBondContact O-N 3.02Å; K114-R117 PolarHBondContact O-N 3.42Å; K114-Q118 WeakPolarHBondContact O-CG 3.44Å; K114-Q118 PolarHBondContact O-N 3.21Å; K114-Q118 VanDerWaalsContact O-N 3.09Å
115	Q	87.9	Confident	85.7	Confident	102 Å²	102	104.7 Å²	104.7	48%	0.477	51%	0.513	S	S	.	.	H	α-helix	trans	-61.1	-42	172.4	-72.7	-179	-4.2	0	0	112	E111 L112 R117 Q118 I119	E111-Q115 WeakPolarHBondContact O-CG 3.36Å; E111-Q115 PolarHBondContact O-N 2.98Å; L112-Q115 PolarHBondContact O-N 3.38Å; Q115-R117 PolarHBondContact O-N 3.36Å; Q115-Q118 WeakPolarHBondContact O-CB 3.38Å; Q115-Q118 PolarHBondContact O-N 2.92Å; Q115-I119 WeakPolarHBondContact O-CG1 3.43Å; Q115-I119 PolarHBondContact O-N 3.07Å
116	K	91.5	Very high	85.6	Confident	128 Å²	128	105.2 Å²	105.2	56%	0.557	52%	0.52	S	S	*	.	H	α-helix	trans	-58.2	-47.3	176.1	-175.6	176	172.7	-179.2	0	112.3	L112 Q113 K114 Q118 I119 E120	L112-K116 WeakPolarHBondContact O-CB 3.48Å; L112-K116 PolarHBondContact O-N 3.44Å; Q113-K116 PolarHBondContact O-N 3.08Å; K114-K116 PolarHBondContact O-N 3.02Å; K116-Q118 VanDerWaalsContact C-N 3.31Å; K116-Q118 PolarHBondContact O-N 3.24Å; K116-I119 PolarHBondContact O-N 2.93Å; K116-E120 WeakPolarHBondContact CE-OE1 3.37Å; K116-E120 IonicContact NZ-OE1 3.89Å; K116-E120 WeakPolarHBondContact O-CG 3.46Å; K116-E120 PolarHBondContact O-N 3.46Å
117	R	90.8	Very high	85.4	Confident	154 Å²	154	107.9 Å²	107.9	58%	0.581	53%	0.532	S	S	*	.	H	α-helix	trans	-62.3	-36.6	176.3	-66.9	177.7	-141.8	-177.5	4.6	112.6	Q113 K114 Q115 T121	Q113-R117 WeakPolarHBondContact O-CG 3.44Å; Q113-R117 PolarHBondContact O-N 3.18Å; Q113-R117 VanDerWaalsContact O-N 3.13Å; K114-R117 PolarHBondContact O-N 3.42Å; Q115-R117 PolarHBondContact O-N 3.36Å; R117-T121 WeakPolarHBondContact O-CB 3.39Å; R117-T121 PolarHBondContact O-N 2.96Å; R117-T121 PolarHBondContact O-OG1 3.06Å
118	Q	87.9	Confident	85	Confident	107 Å²	107	106.8 Å²	106.8	50%	0.5	53%	0.53	S	S	.	.	H	α-helix	trans	-64.6	-42.1	174.9	-73.9	178.6	-29.8	0	0	111.8	K114 Q115 K116 T121 L122	K114-Q118 WeakPolarHBondContact O-CG 3.44Å; K114-Q118 PolarHBondContact O-N 3.21Å; K114-Q118 VanDerWaalsContact O-N 3.09Å; Q115-Q118 WeakPolarHBondContact O-CB 3.38Å; Q115-Q118 PolarHBondContact O-N 2.92Å; K116-Q118 VanDerWaalsContact C-N 3.31Å; K116-Q118 PolarHBondContact O-N 3.24Å; Q118-T121 PolarHBondContact O-N 3.27Å; Q118-L122 WeakPolarHBondContact O-CB 3.2Å; Q118-L122 VanDerWaalsContact O-CG 3.3Å; Q118-L122 WeakPolarHBondContact O-CG 3.2Å; Q118-L122 PolarHBondContact O-N 3.39Å
119	I	85.4	Confident	84.5	Confident	97 Å²	97	105.3 Å²	105.3	50%	0.497	52%	0.523	S	S	.	.	H	α-helix	trans	-63.6	-45.5	176.3	-67.1	164.5	0	0	0	111	Q115 K116 T121 L122 Q123	Q115-I119 WeakPolarHBondContact O-CG1 3.43Å; Q115-I119 PolarHBondContact O-N 3.07Å; K116-I119 PolarHBondContact O-N 2.93Å; I119-T121 VanDerWaalsContact C-N 3.32Å; I119-T121 PolarHBondContact O-N 3.46Å; I119-L122 PolarHBondContact O-N 3.28Å; I119-Q123 HydrophobicContact CG2-CG 4.47Å; I119-Q123 WeakPolarHBondContact O-CG 3.49Å; I119-Q123 PolarHBondContact O-N 2.89Å
120	E	88.6	Confident	84.1	Confident	86 Å²	86	102.6 Å²	102.6	40%	0.402	52%	0.516	S	S	.	.	H	α-helix	trans	-60.1	-41	176.6	-71.2	166.3	174.2	0	0	111.7	K116 Q123 Q124	K116-E120 WeakPolarHBondContact CE-OE1 3.37Å; K116-E120 IonicContact NZ-OE1 3.89Å; K116-E120 WeakPolarHBondContact O-CG 3.46Å; K116-E120 PolarHBondContact O-N 3.46Å; E120-Q123 PolarHBondContact O-N 2.77Å; E120-Q124 PolarHBondContact O-N 3.32Å
121	T	87.4	Confident	83.7	Confident	85 Å²	85	99.9 Å²	99.9	52%	0.521	51%	0.507	S	S	.	.	H	α-helix	trans	-65.1	-42	176.1	-52.2	0	0	0	0	111.7	R117 Q118 I119 L125	R117-T121 WeakPolarHBondContact O-CB 3.39Å; R117-T121 PolarHBondContact O-N 2.96Å; R117-T121 PolarHBondContact O-OG1 3.06Å; Q118-T121 PolarHBondContact O-N 3.27Å; I119-T121 VanDerWaalsContact C-N 3.32Å; I119-T121 PolarHBondContact O-N 3.46Å; T121-L125 PolarHBondContact O-N 3.14Å
122	L	78.7	Confident	83.3	Confident	111 Å²	111	100.2 Å²	100.2	58%	0.581	51%	0.51	S	S	*	.	H	α-helix	trans	-67.5	-36.6	177.5	-73.3	168.3	0	0	0	112.2	Q118 I119 L125 V126	Q118-L122 WeakPolarHBondContact O-CB 3.2Å; Q118-L122 VanDerWaalsContact O-CG 3.3Å; Q118-L122 WeakPolarHBondContact O-CG 3.2Å; Q118-L122 PolarHBondContact O-N 3.39Å; I119-L122 PolarHBondContact O-N 3.28Å; L122-L125 PolarHBondContact O-N 3.3Å; L122-V126 WeakPolarHBondContact O-CG2 3.44Å; L122-V126 PolarHBondContact O-N 3.49Å
123	Q	80.2	Confident	82.6	Confident	119 Å²	119	98.9 Å²	98.9	56%	0.556	51%	0.506	S	S	*	.	H	α-helix	trans	-62.5	-46	176	-76.9	174.9	-24.1	0	0	111.8	I119 E120 L125 V126 E127	I119-Q123 HydrophobicContact CG2-CG 4.47Å; I119-Q123 WeakPolarHBondContact O-CG 3.49Å; I119-Q123 PolarHBondContact O-N 2.89Å; E120-Q123 PolarHBondContact O-N 2.77Å; Q123-L125 VanDerWaalsContact C-N 3.29Å; Q123-L125 PolarHBondContact O-N 3.3Å; Q123-V126 PolarHBondContact O-N 3.03Å; Q123-E127 PolarHBondContact O-N 3.36Å
124	Q	80.3	Confident	82.1	Confident	131 Å²	131	98.3 Å²	98.3	61%	0.612	51%	0.507	S	S	*	.	H	α-helix	trans	-59.9	-39.4	175.5	-70.4	178.4	-6.8	0	0	112.3	E120 E127 V128	E120-Q124 PolarHBondContact O-N 3.32Å; Q124-E127 PolarHBondContact O-N 2.88Å; Q124-V128 WeakPolarHBondContact O-CG2 3.42Å; Q124-V128 PolarHBondContact O-N 3.43Å; Q124-V128 VanDerWaalsContact O-N 3.12Å
125	L	76.4	Confident	81.8	Confident	99 Å²	99	99.9 Å²	99.9	52%	0.518	52%	0.516	S	S	.	.	H	α-helix	trans	-67.7	-38.2	179.4	-149.2	149.4	0	0	0	111.5	T121 L122 Q123 V128 D129	T121-L125 PolarHBondContact O-N 3.14Å; L122-L125 PolarHBondContact O-N 3.3Å; Q123-L125 VanDerWaalsContact C-N 3.29Å; Q123-L125 PolarHBondContact O-N 3.3Å; L125-V128 PolarHBondContact O-N 3.43Å; L125-D129 PolarHBondContact O-N 3.22Å
126	V	74.9	Confident	81.3	Confident	101 Å²	101	97.7 Å²	97.7	61%	0.612	51%	0.509	S	S	*	.	H	α-helix	trans	-67.4	-34.8	173.9	170.6	0	0	0	0	112.6	L122 Q123 G130	L122-V126 WeakPolarHBondContact O-CG2 3.44Å; L122-V126 PolarHBondContact O-N 3.49Å; Q123-V126 PolarHBondContact O-N 3.03Å; V126-G130 PolarHBondContact O-N 3.43Å
127	E	75.8	Confident	80.9	Confident	154 Å²	154	97.4 Å²	97.4	72%	0.72	51%	0.508	S	S	*	.	H	α-helix	trans	-65.8	-43	173.5	-74.1	-172.9	150	0	0	112	Q123 Q124 G130 G131	Q123-E127 PolarHBondContact O-N 3.36Å; Q124-E127 PolarHBondContact O-N 2.88Å; E127-G130 PolarHBondContact O-N 3.05Å; E127-G131 PolarHBondContact O-N 3.45Å
128	V	75.4	Confident	80.8	Confident	92 Å²	92	95.7 Å²	95.7	56%	0.558	51%	0.509	S	S	*	.	H	α-helix	trans	-62.1	-47.2	175.3	172.6	0	0	0	0	111	Q124 L125 G130 G131 I132	Q124-V128 WeakPolarHBondContact O-CG2 3.42Å; Q124-V128 PolarHBondContact O-N 3.43Å; Q124-V128 VanDerWaalsContact O-N 3.12Å; L125-V128 PolarHBondContact O-N 3.43Å; V128-G130 VanDerWaalsContact C-N 3.27Å; V128-G130 PolarHBondContact O-N 3.32Å; V128-G131 PolarHBondContact O-N 2.94Å; V128-G131 VanDerWaalsContact O-N 3.11Å; V128-I132 HydrophobicContact CG1-CD1 4.02Å; V128-I132 WeakPolarHBondContact O-CG1 3.37Å; V128-I132 PolarHBondContact O-N 2.89Å
129	D	72.6	Confident	80.6	Confident	84 Å²	84	95.6 Å²	95.6	45%	0.449	51%	0.512	S	S	.	.	H	α-helix	trans	-60.5	-37.1	174.6	-80.9	-15.3	0	0	0	111.9	L125 G131 I132 V133	L125-D129 PolarHBondContact O-N 3.22Å; D129-G131 VanDerWaalsContact C-N 3.34Å; D129-G131 PolarHBondContact O-N 3.21Å; D129-I132 PolarHBondContact O-N 2.94Å; D129-V133 VanDerWaalsContact O-CG2 3.29Å; D129-V133 WeakPolarHBondContact O-CG2 3.45Å; D129-V133 PolarHBondContact O-N 3.18Å
130	G	79.3	Confident	80.4	Confident	34 Å²	34	98.6 Å²	98.6	35%	0.351	52%	0.517	S	S	.	.	H	α-helix	trans	-61.2	-39.4	173.3	0	0	0	0	0	113.4	V126 E127 V128 N134	V126-G130 PolarHBondContact O-N 3.43Å; E127-G130 PolarHBondContact O-N 3.05Å; V128-G130 VanDerWaalsContact C-N 3.27Å; V128-G130 PolarHBondContact O-N 3.32Å; G130-N134 PolarHBondContact O-N 3.29Å; G130-N134 PolarHBondContact O-ND2 3.02Å
131	G	81.4	Confident	80.4	Confident	35 Å²	35	101.9 Å²	101.9	36%	0.361	53%	0.53	S	S	.	.	H	α-helix	trans	-61.6	-52.7	171.3	0	0	0	0	0	112.1	E127 V128 D129 V133 N134 E135	E127-G131 PolarHBondContact O-N 3.45Å; V128-G131 PolarHBondContact O-N 2.94Å; V128-G131 VanDerWaalsContact O-N 3.11Å; D129-G131 VanDerWaalsContact C-N 3.34Å; D129-G131 PolarHBondContact O-N 3.21Å; G131-V133 VanDerWaalsContact C-N 3.28Å; G131-V133 PolarHBondContact O-N 2.88Å; G131-N134 PolarHBondContact O-N 2.93Å; G131-E135 PolarHBondContact O-N 3.42Å; G131-E135 VanDerWaalsContact O-N 3.07Å
132	I	79.2	Confident	80.4	Confident	82 Å²	82	103.7 Å²	103.7	42%	0.421	53%	0.532	S	S	.	.	H	α-helix	trans	-57	-40.9	178.7	-66	167.1	0	0	0	111.1	V128 D129 N134 E135 V136	V128-I132 HydrophobicContact CG1-CD1 4.02Å; V128-I132 WeakPolarHBondContact O-CG1 3.37Å; V128-I132 PolarHBondContact O-N 2.89Å; D129-I132 PolarHBondContact O-N 2.94Å; I132-N134 VanDerWaalsContact C-N 3.27Å; I132-N134 PolarHBondContact O-N 3.38Å; I132-E135 PolarHBondContact O-N 3.05Å; I132-V136 HydrophobicContact CG2-CG2 4.3Å; I132-V136 WeakPolarHBondContact O-CB 3.44Å; I132-V136 VanDerWaalsContact O-CG2 3.28Å; I132-V136 WeakPolarHBondContact O-CG2 3.44Å; I132-V136 PolarHBondContact O-N 3.4Å
133	V	76	Confident	80.8	Confident	74 Å²	74	101.1 Å²	101.1	45%	0.448	52%	0.524	S	S	.	.	H	α-helix	trans	-61.1	-34.7	176.2	166.1	0	0	0	0	112.2	D129 G131 K137	D129-V133 VanDerWaalsContact O-CG2 3.29Å; D129-V133 WeakPolarHBondContact O-CG2 3.45Å; D129-V133 PolarHBondContact O-N 3.18Å; G131-V133 VanDerWaalsContact C-N 3.28Å; G131-V133 PolarHBondContact O-N 2.88Å; V133-K137 HydrophobicContact CG1-CD 4.48Å; V133-K137 VanDerWaalsContact O-CG 3.28Å; V133-K137 WeakPolarHBondContact O-CG 3.37Å; V133-K137 PolarHBondContact O-N 2.98Å
134	N	81.7	Confident	81	Confident	92 Å²	92	104.2 Å²	104.2	49%	0.492	53%	0.53	S	S	.	.	H	α-helix	trans	-76.7	-38.3	178.5	-69.8	-29.4	0	0	0	112.3	G130 G131 I132 K137 L138	G130-N134 PolarHBondContact O-N 3.29Å; G130-N134 PolarHBondContact O-ND2 3.02Å; G131-N134 PolarHBondContact O-N 2.93Å; I132-N134 VanDerWaalsContact C-N 3.27Å; I132-N134 PolarHBondContact O-N 3.38Å; N134-K137 WeakPolarHBondContact O-CB 3.45Å; N134-K137 PolarHBondContact O-N 3.37Å; N134-K137 PolarHBondContact OD1-NZ 2.88Å; N134-L138 PolarHBondContact O-N 2.9Å
135	E	86.6	Confident	81.3	Confident	131 Å²	131	103.1 Å²	103.1	61%	0.612	53%	0.529	S	S	*	.	H	α-helix	trans	-61.1	-45.6	170.3	-66.1	-175.2	168.8	0	0	111.4	G131 I132 K137 L138 L139	G131-E135 PolarHBondContact O-N 3.42Å; G131-E135 VanDerWaalsContact O-N 3.07Å; I132-E135 PolarHBondContact O-N 3.05Å; E135-K137 VanDerWaalsContact C-N 3.3Å; E135-K137 PolarHBondContact O-N 3.09Å; E135-L138 WeakPolarHBondContact O-CB 3.39Å; E135-L138 PolarHBondContact O-N 3.37Å; E135-L139 WeakPolarHBondContact O-CG 3.19Å; E135-L139 PolarHBondContact O-N 2.94Å
136	V	78.3	Confident	81.7	Confident	56 Å²	56	104 Å²	104	34%	0.339	53%	0.532	S	S	.	.	H	α-helix	trans	-62.5	-34.2	175.9	170.7	0	0	0	0	112.1	I132 R140	I132-V136 HydrophobicContact CG2-CG2 4.3Å; I132-V136 WeakPolarHBondContact O-CB 3.44Å; I132-V136 VanDerWaalsContact O-CG2 3.28Å; I132-V136 WeakPolarHBondContact O-CG2 3.44Å; I132-V136 PolarHBondContact O-N 3.4Å; V136-R140 VanDerWaalsContact O-CB 3.32Å; V136-R140 WeakPolarHBondContact O-CB 3.33Å; V136-R140 WeakPolarHBondContact O-CG 3.34Å; V136-R140 PolarHBondContact O-N 3.29Å
137	K	81.1	Confident	81.9	Confident	121 Å²	121	104 Å²	104	53%	0.526	53%	0.528	S	S	.	.	H	α-helix	trans	-65.6	-41.4	171.1	-76	167.7	-168.4	160.9	0	111.8	V133 N134 E135 R140 K141	V133-K137 HydrophobicContact CG1-CD 4.48Å; V133-K137 VanDerWaalsContact O-CG 3.28Å; V133-K137 WeakPolarHBondContact O-CG 3.37Å; V133-K137 PolarHBondContact O-N 2.98Å; N134-K137 WeakPolarHBondContact O-CB 3.45Å; N134-K137 PolarHBondContact O-N 3.37Å; N134-K137 PolarHBondContact OD1-NZ 2.88Å; E135-K137 VanDerWaalsContact C-N 3.3Å; E135-K137 PolarHBondContact O-N 3.09Å; K137-R140 PolarHBondContact O-N 3.47Å; K137-K141 PolarHBondContact O-N 3.04Å
138	L	88.9	Confident	82.4	Confident	118 Å²	118	99.3 Å²	99.3	62%	0.618	51%	0.512	S	S	*	.	H	α-helix	trans	-65.2	-49.7	178.4	-171.5	65.7	0	0	0	110.9	N134 E135 R140 K141 E142	N134-L138 PolarHBondContact O-N 2.9Å; E135-L138 WeakPolarHBondContact O-CB 3.39Å; E135-L138 PolarHBondContact O-N 3.37Å; L138-R140 VanDerWaalsContact C-N 3.28Å; L138-R140 PolarHBondContact O-N 3.28Å; L138-K141 WeakPolarHBondContact O-CA 3.34Å; L138-K141 WeakPolarHBondContact O-CB 3.42Å; L138-K141 PolarHBondContact O-N 3.04Å; L138-E142 PolarHBondContact O-N 3.29Å
139	L	84	Confident	83.2	Confident	106 Å²	106	103 Å²	103	56%	0.555	52%	0.516	S	S	*	.	H	α-helix	trans	-58.2	-37.9	174.9	-69.2	171.1	0	0	0	112.2	E135 E142 S143	E135-L139 WeakPolarHBondContact O-CG 3.19Å; E135-L139 PolarHBondContact O-N 2.94Å; L139-E142 PolarHBondContact O-N 2.8Å; L139-S143 WeakPolarHBondContact O-CB 3.41Å; L139-S143 PolarHBondContact O-N 2.98Å
140	R	82.3	Confident	84.1	Confident	160 Å²	160	103 Å²	103	60%	0.604	52%	0.519	S	S	*	.	H	α-helix	trans	-66.6	-34.3	172.6	-78.4	172.4	176.5	177.3	1.3	112.9	V136 K137 L138 R144	V136-R140 VanDerWaalsContact O-CB 3.32Å; V136-R140 WeakPolarHBondContact O-CB 3.33Å; V136-R140 WeakPolarHBondContact O-CG 3.34Å; V136-R140 PolarHBondContact O-N 3.29Å; K137-R140 PolarHBondContact O-N 3.47Å; L138-R140 VanDerWaalsContact C-N 3.28Å; L138-R140 PolarHBondContact O-N 3.28Å; R140-R144 WeakPolarHBondContact O-CG 3.17Å; R140-R144 PolarHBondContact O-N 3.48Å
141	K	88.6	Confident	84.4	Confident	154 Å²	154	105.4 Å²	105.4	67%	0.67	53%	0.527	S	S	*	.	H	α-helix	trans	-70.3	-43.5	175.6	-173.6	-178.5	178.6	-176.1	0	110.9	K137 L138 R144 N145	K137-K141 PolarHBondContact O-N 3.04Å; L138-K141 WeakPolarHBondContact O-CA 3.34Å; L138-K141 WeakPolarHBondContact O-CB 3.42Å; L138-K141 PolarHBondContact O-N 3.04Å; K141-R144 PolarHBondContact O-N 2.65Å; K141-N145 PolarHBondContact O-N 2.85Å; K141-N145 VanDerWaalsContact O-N 3.14Å
142	E	87.8	Confident	84.9	Confident	124 Å²	124	109.8 Å²	109.8	58%	0.579	54%	0.538	S	S	*	.	H	α-helix	trans	-65.7	-43.2	176.4	-170.7	168.9	-151.8	0	0	111.8	L138 L139 R144 N145 M146	L138-E142 PolarHBondContact O-N 3.29Å; L139-E142 PolarHBondContact O-N 2.8Å; E142-R144 VanDerWaalsContact C-N 3.33Å; E142-R144 PolarHBondContact O-N 3.24Å; E142-N145 WeakPolarHBondContact O-CB 3.41Å; E142-N145 PolarHBondContact O-N 3.34Å; E142-N145 VanDerWaalsContact O-N 3.1Å; E142-M146 WeakPolarHBondContact O-CB 3.35Å; E142-M146 PolarHBondContact O-N 2.93Å
143	S	85.9	Confident	85.5	Confident	57 Å²	57	110.4 Å²	110.4	40%	0.399	54%	0.542	S	S	.	.	H	α-helix	trans	-57.4	-41.2	173.1	174.8	0	0	0	0	112.8	L139 M146 N147	L139-S143 WeakPolarHBondContact O-CB 3.41Å; L139-S143 PolarHBondContact O-N 2.98Å; S143-M146 PolarHBondContact O-N 3.45Å; S143-N147 WeakPolarHBondContact O-CB 3.41Å; S143-N147 PolarHBondContact O-N 3.19Å
144	R	84.7	Confident	86.2	Confident	183 Å²	183	113.5 Å²	113.5	69%	0.691	55%	0.547	S	S	*	.	H	α-helix	trans	-64.2	-41.6	174.1	-71.5	174.6	-156	175	4.2	112.2	R140 K141 E142 N147 S148	R140-R144 WeakPolarHBondContact O-CG 3.17Å; R140-R144 PolarHBondContact O-N 3.48Å; K141-R144 PolarHBondContact O-N 2.65Å; E142-R144 VanDerWaalsContact C-N 3.33Å; E142-R144 PolarHBondContact O-N 3.24Å; R144-N147 PolarHBondContact O-N 2.85Å; R144-S148 PolarHBondContact O-N 3.08Å
145	N	86.2	Confident	86.4	Confident	108 Å²	108	113.3 Å²	113.3	58%	0.578	54%	0.544	S	S	*	.	H	α-helix	trans	-62.7	-51.1	176.7	-172.2	-23.6	0	0	0	110.3	K141 E142 N147 S148 R149	K141-N145 PolarHBondContact O-N 2.85Å; K141-N145 VanDerWaalsContact O-N 3.14Å; E142-N145 WeakPolarHBondContact O-CB 3.41Å; E142-N145 PolarHBondContact O-N 3.34Å; E142-N145 VanDerWaalsContact O-N 3.1Å; N145-N147 PolarHBondContact O-N 3.18Å; N145-S148 PolarHBondContact O-N 3.18Å; N145-S148 PolarHBondContact O-OG 3.4Å; N145-R149 PolarHBondContact O-N 2.83Å
146	M	84.6	Confident	86.8	Confident	119 Å²	119	113.2 Å²	113.2	59%	0.586	54%	0.543	S	S	*	.	H	α-helix	trans	-58.7	-42.9	176.8	-171.7	156.1	60.1	0	0	112.3	E142 S143 S148 R149 V150	E142-M146 WeakPolarHBondContact O-CB 3.35Å; E142-M146 PolarHBondContact O-N 2.93Å; S143-M146 PolarHBondContact O-N 3.45Å; M146-S148 PolarHBondContact O-N 3.36Å; M146-R149 PolarHBondContact O-N 3.49Å; M146-V150 WeakPolarHBondContact O-CG2 3.42Å; M146-V150 PolarHBondContact O-N 3.47Å
147	N	79.1	Confident	87.4	Confident	99 Å²	99	115.1 Å²	115.1	53%	0.529	55%	0.551	S	S	.	*	H	α-helix	trans	-60.8	-42.1	172.8	-84.9	13.1	0	0	0	112.3	S143 R144 N145 R149 V150 T151	S143-N147 WeakPolarHBondContact O-CB 3.41Å; S143-N147 PolarHBondContact O-N 3.19Å; R144-N147 PolarHBondContact O-N 2.85Å; N145-N147 PolarHBondContact O-N 3.18Å; N147-R149 VanDerWaalsContact C-N 3.31Å; N147-R149 PolarHBondContact O-N 2.79Å; N147-V150 PolarHBondContact O-N 3.29Å; N147-T151 PolarHBondContact O-N 2.84Å; N147-T151 PolarHBondContact O-OG1 3.36Å; N147-T151 VanDerWaalsContact O-OG1 3.06Å
148	S	87.9	Confident	87.9	Confident	56 Å²	56	112.4 Å²	112.4	39%	0.392	54%	0.542	S	S	.	.	H	α-helix	trans	-62.1	-39.1	176.9	74	0	0	0	0	112.3	R144 N145 M146 T151 Q152	R144-S148 PolarHBondContact O-N 3.08Å; N145-S148 PolarHBondContact O-N 3.18Å; N145-S148 PolarHBondContact O-OG 3.4Å; M146-S148 PolarHBondContact O-N 3.36Å; S148-T151 PolarHBondContact O-N 3.31Å; S148-Q152 WeakPolarHBondContact O-CG 3.28Å; S148-Q152 PolarHBondContact O-N 2.95Å
149	R	91.1	Very high	88.1	Confident	169 Å²	169	112.5 Å²	112.5	64%	0.638	54%	0.539	S	S	*	.	H	α-helix	trans	-69.6	-38.1	175.5	-176.7	172.6	164.3	-178.5	-6.1	112.6	N145 M146 N147 Q152 L153	N145-R149 PolarHBondContact O-N 2.83Å; M146-R149 PolarHBondContact O-N 3.49Å; N147-R149 VanDerWaalsContact C-N 3.31Å; N147-R149 PolarHBondContact O-N 2.79Å; R149-Q152 PolarHBondContact O-N 3.18Å; R149-L153 HydrophobicContact CG-CD1 4.39Å; R149-L153 WeakPolarHBondContact O-CG 3.35Å; R149-L153 PolarHBondContact O-N 3.49Å
150	V	91.1	Very high	88.6	Confident	85 Å²	85	111.5 Å²	111.5	52%	0.515	53%	0.532	S	S	.	.	H	α-helix	trans	-63	-43.8	171.6	169.3	0	0	0	0	110.7	M146 N147 Q152 L153 Y154	M146-V150 WeakPolarHBondContact O-CG2 3.42Å; M146-V150 PolarHBondContact O-N 3.47Å; N147-V150 PolarHBondContact O-N 3.29Å; V150-Q152 PolarHBondContact O-N 2.73Å; V150-L153 PolarHBondContact O-N 2.93Å; V150-Y154 WeakPolarHBondContact O-CB 3.49Å; V150-Y154 PolarHBondContact O-N 3.47Å
151	T	85.9	Confident	89	Confident	85 Å²	85	108.5 Å²	108.5	52%	0.521	53%	0.526	S	S	.	.	H	α-helix	trans	-61.8	-41.7	174.8	-59.4	0	0	0	0	111.7	N147 S148 Y154 M155	N147-T151 PolarHBondContact O-N 2.84Å; N147-T151 PolarHBondContact O-OG1 3.36Å; N147-T151 VanDerWaalsContact O-OG1 3.06Å; S148-T151 PolarHBondContact O-N 3.31Å; T151-Y154 PolarHBondContact O-N 2.8Å; T151-M155 VanDerWaalsContact O-CG 3.29Å; T151-M155 WeakPolarHBondContact O-CG 3.46Å; T151-M155 PolarHBondContact O-N 3.46Å
152	Q	92.3	Very high	89	Confident	127 Å²	127	105.2 Å²	105.2	59%	0.593	52%	0.515	S	S	*	.	H	α-helix	trans	-61.5	-47.5	174.6	-76.6	174.7	-17.3	0	0	112.3	S148 R149 V150 Y154 M155 Q156	S148-Q152 WeakPolarHBondContact O-CG 3.28Å; S148-Q152 PolarHBondContact O-N 2.95Å; R149-Q152 PolarHBondContact O-N 3.18Å; V150-Q152 PolarHBondContact O-N 2.73Å; Q152-Y154 VanDerWaalsContact C-N 3.34Å; Q152-Y154 PolarHBondContact O-N 3.13Å; Q152-M155 PolarHBondContact O-N 3.25Å; Q152-Q156 WeakPolarHBondContact O-CG 3.19Å; Q152-Q156 PolarHBondContact O-N 2.96Å
153	L	91.9	Very high	89.3	Confident	94 Å²	94	106.6 Å²	106.6	49%	0.492	52%	0.515	S	S	.	.	H	α-helix	trans	-63	-39.6	177	-71.7	169	0	0	0	112	R149 V150 Q156 L157	R149-L153 HydrophobicContact CG-CD1 4.39Å; R149-L153 WeakPolarHBondContact O-CG 3.35Å; R149-L153 PolarHBondContact O-N 3.49Å; V150-L153 PolarHBondContact O-N 2.93Å; L153-Q156 PolarHBondContact O-N 3.48Å; L153-L157 WeakPolarHBondContact O-CB 3.42Å; L153-L157 PolarHBondContact O-N 3.3Å
154	Y	89.6	Confident	89.6	Confident	140 Å²	140	109.6 Å²	109.6	55%	0.549	52%	0.521	S	S	.	.	H	α-helix	trans	-62.2	-44.4	174.7	-177.1	-94.4	0	0	0	111.6	V150 T151 Q152 L157 L158	V150-Y154 WeakPolarHBondContact O-CB 3.49Å; V150-Y154 PolarHBondContact O-N 3.47Å; T151-Y154 PolarHBondContact O-N 2.8Å; Q152-Y154 VanDerWaalsContact C-N 3.34Å; Q152-Y154 PolarHBondContact O-N 3.13Å; Y154-L157 PolarHBondContact O-N 2.94Å; Y154-L158 VanDerWaalsContact O-CB 3.29Å; Y154-L158 WeakPolarHBondContact O-CB 3.34Å; Y154-L158 PolarHBondContact O-N 3.38Å
155	M	87.3	Confident	89.9	Confident	87 Å²	87	110 Å²	110	43%	0.429	52%	0.523	S	S	.	.	H	α-helix	trans	-65.7	-39.5	175.9	-68.9	-60	-70.6	0	0	112.1	T151 Q152 L158 H159	T151-M155 VanDerWaalsContact O-CG 3.29Å; T151-M155 WeakPolarHBondContact O-CG 3.46Å; T151-M155 PolarHBondContact O-N 3.46Å; Q152-M155 PolarHBondContact O-N 3.25Å; M155-L158 PolarHBondContact O-N 2.94Å; M155-L158 HydrophobicContact SD-CD2 4.39Å; M155-H159 PolarHBondContact O-N 2.91Å; M155-H159 PolarHBondContact O-ND1 3.41Å
156	Q	93.4	Very high	90	Very high	129 Å²	129	108.6 Å²	108.6	60%	0.603	52%	0.515	S	S	*	.	H	α-helix	trans	-62.3	-48.5	174.7	-76.2	177.4	-25.7	0	0	111.7	Q152 L153 L158 H159 E160	Q152-Q156 WeakPolarHBondContact O-CG 3.19Å; Q152-Q156 PolarHBondContact O-N 2.96Å; L153-Q156 PolarHBondContact O-N 3.48Å; Q156-L158 VanDerWaalsContact C-N 3.32Å; Q156-L158 PolarHBondContact O-N 2.97Å; Q156-H159 PolarHBondContact O-N 3.38Å; Q156-E160 PolarHBondContact O-N 3.01Å
157	L	92.4	Very high	90.4	Very high	97 Å²	97	106.8 Å²	106.8	51%	0.508	51%	0.508	S	S	.	.	H	α-helix	trans	-60.8	-41.1	177	-179	63	0	0	0	111.6	L153 Y154 E160 I161	L153-L157 WeakPolarHBondContact O-CB 3.42Å; L153-L157 PolarHBondContact O-N 3.3Å; Y154-L157 PolarHBondContact O-N 2.94Å; L157-E160 PolarHBondContact O-N 2.95Å; L157-I161 HydrophobicContact CD1-CD1 4.1Å; L157-I161 HydrophobicContact CD1-CG1 4.32Å; L157-I161 HydrophobicContact CG-CD1 3.84Å; L157-I161 HydrophobicContact CG-CG1 4.47Å; L157-I161 WeakPolarHBondContact O-CB 2.99Å; L157-I161 VanDerWaalsContact O-CG1 3.26Å; L157-I161 WeakPolarHBondContact O-CG1 3.44Å; L157-I161 PolarHBondContact O-N 3.23Å
158	L	91.2	Very high	90.9	Very high	63 Å²	63	104.7 Å²	104.7	33%	0.33	50%	0.504	S	S	.	.	H	α-helix	trans	-61.5	-45.1	176.6	-175.4	65.4	0	0	0	111.8	Y154 M155 Q156 E160 I161 I162	Y154-L158 VanDerWaalsContact O-CB 3.29Å; Y154-L158 WeakPolarHBondContact O-CB 3.34Å; Y154-L158 PolarHBondContact O-N 3.38Å; M155-L158 PolarHBondContact O-N 2.94Å; M155-L158 HydrophobicContact SD-CD2 4.39Å; Q156-L158 VanDerWaalsContact C-N 3.32Å; Q156-L158 PolarHBondContact O-N 2.97Å; L158-E160 VanDerWaalsContact C-N 3.35Å; L158-E160 PolarHBondContact O-N 3.46Å; L158-I161 PolarHBondContact O-N 3.44Å; L158-I162 HydrophobicContact CD1-CD1 4.27Å; L158-I162 HydrophobicContact CG-CD1 4Å; L158-I162 VanDerWaalsContact O-CG1 3.27Å; L158-I162 WeakPolarHBondContact O-CG1 3.36Å; L158-I162 PolarHBondContact O-N 3.48Å
159	H	92	Very high	91.1	Very high	121 Å²	121	106.8 Å²	106.8	56%	0.56	51%	0.51	S	S	*	.	H	α-helix	trans	-63.4	-39.4	175.1	-76.5	82.3	0	0	0	112.1	M155 Q156 R163	M155-H159 PolarHBondContact O-N 2.91Å; M155-H159 PolarHBondContact O-ND1 3.41Å; Q156-H159 PolarHBondContact O-N 3.38Å; H159-R163 WeakPolarHBondContact O-CB 3.32Å; H159-R163 PolarHBondContact O-N 3.09Å
160	E	94.4	Very high	91.2	Very high	85 Å²	85	104.8 Å²	104.8	40%	0.397	51%	0.508	S	S	.	.	H	α-helix	trans	-67.7	-39.9	177.9	-159.6	-169.1	147.2	0	0	112.2	Q156 L157 L158 K164	Q156-E160 PolarHBondContact O-N 3.01Å; L157-E160 PolarHBondContact O-N 2.95Å; L158-E160 VanDerWaalsContact C-N 3.35Å; L158-E160 PolarHBondContact O-N 3.46Å; E160-K164 HydrophobicContact CG-CD 4.38Å; E160-K164 WeakPolarHBondContact O-CB 3.43Å; E160-K164 WeakPolarHBondContact O-CG 3.14Å; E160-K164 PolarHBondContact O-N 3.23Å; E160-K164 VanDerWaalsContact OE1-CE 3.25Å; E160-K164 WeakPolarHBondContact OE1-CE 3.33Å; E160-K164 IonicContact OE1-NZ 3.63Å; E160-K164 PolarHBondContact OE1-NZ 2.95Å
161	I	91.3	Very high	91.3	Very high	97 Å²	97	106.2 Å²	106.2	50%	0.497	51%	0.513	S	S	.	.	H	α-helix	trans	-63.1	-47.4	175.2	-71.6	167.8	0	0	0	110.8	L157 L158 K164 R165	L157-I161 HydrophobicContact CD1-CD1 4.1Å; L157-I161 HydrophobicContact CD1-CG1 4.32Å; L157-I161 HydrophobicContact CG-CD1 3.84Å; L157-I161 HydrophobicContact CG-CG1 4.47Å; L157-I161 WeakPolarHBondContact O-CB 2.99Å; L157-I161 VanDerWaalsContact O-CG1 3.26Å; L157-I161 WeakPolarHBondContact O-CG1 3.44Å; L157-I161 PolarHBondContact O-N 3.23Å; L158-I161 PolarHBondContact O-N 3.44Å; I161-K164 PolarHBondContact O-N 2.74Å; I161-R165 WeakPolarHBondContact O-CB 3.41Å; I161-R165 PolarHBondContact O-N 3.22Å
162	I	89.8	Confident	91.6	Very high	84 Å²	84	104 Å²	104	43%	0.431	50%	0.503	S	S	.	.	H	α-helix	trans	-59	-52.2	177.3	-69.1	165.8	0	0	0	109.6	L158 K164 R165 D166	L158-I162 HydrophobicContact CD1-CD1 4.27Å; L158-I162 HydrophobicContact CG-CD1 4Å; L158-I162 VanDerWaalsContact O-CG1 3.27Å; L158-I162 WeakPolarHBondContact O-CG1 3.36Å; L158-I162 PolarHBondContact O-N 3.48Å; I162-K164 VanDerWaalsContact C-N 3.33Å; I162-K164 PolarHBondContact O-N 2.82Å; I162-R165 WeakPolarHBondContact O-CB 3.38Å; I162-R165 PolarHBondContact O-N 3.22Å; I162-D166 WeakPolarHBondContact CG2-OD2 3.01Å; I162-D166 VanDerWaalsContact O-CG 3.28Å; I162-D166 PolarHBondContact O-N 3.12Å
163	R	94	Very high	91.6	Very high	153 Å²	153	102.5 Å²	102.5	58%	0.577	50%	0.496	S	S	*	.	H	α-helix	trans	-58.6	-41.3	178.8	-166.9	-173.6	72.2	151.5	2.1	113	H159 R165 D166 N167	H159-R163 WeakPolarHBondContact O-CB 3.32Å; H159-R163 PolarHBondContact O-N 3.09Å; R163-R165 VanDerWaalsContact C-N 3.35Å; R163-D166 PolarHBondContact O-N 2.98Å; R163-N167 WeakPolarHBondContact O-CB 3.44Å; R163-N167 PolarHBondContact O-N 2.78Å; R163-N167 PolarHBondContact O-OD1 2.96Å; R163-N167 VanDerWaalsContact O-OD1 3.14Å
164	K	91.1	Very high	91.7	Very high	121 Å²	121	102.7 Å²	102.7	53%	0.526	50%	0.495	S	S	.	.	H	α-helix	trans	-66.5	-36.1	176.6	-82.5	175.5	167.5	166.9	0	112.1	E160 I161 I162 A168	E160-K164 HydrophobicContact CG-CD 4.38Å; E160-K164 WeakPolarHBondContact O-CB 3.43Å; E160-K164 WeakPolarHBondContact O-CG 3.14Å; E160-K164 PolarHBondContact O-N 3.23Å; E160-K164 VanDerWaalsContact OE1-CE 3.25Å; E160-K164 WeakPolarHBondContact OE1-CE 3.33Å; E160-K164 IonicContact OE1-NZ 3.63Å; E160-K164 PolarHBondContact OE1-NZ 2.95Å; I161-K164 PolarHBondContact O-N 2.74Å; I162-K164 VanDerWaalsContact C-N 3.33Å; I162-K164 PolarHBondContact O-N 2.82Å; K164-A168 WeakPolarHBondContact O-CB 3.32Å; K164-A168 PolarHBondContact O-N 2.86Å; K164-A168 VanDerWaalsContact O-N 3.11Å
165	R	90.8	Very high	91.9	Very high	192 Å²	192	101.8 Å²	101.8	73%	0.725	50%	0.496	S	S	*	.	H	α-helix	trans	-66.3	-46.1	174.8	-177.6	-175	-179	-179	0.5	111.7	I161 I162 R163 A168 L169	I161-R165 WeakPolarHBondContact O-CB 3.41Å; I161-R165 PolarHBondContact O-N 3.22Å; I162-R165 WeakPolarHBondContact O-CB 3.38Å; I162-R165 PolarHBondContact O-N 3.22Å; R163-R165 VanDerWaalsContact C-N 3.35Å; R165-A168 PolarHBondContact O-N 3.35Å; R165-L169 PolarHBondContact O-N 2.96Å
166	D	89.1	Confident	92.2	Very high	78 Å²	78	102.9 Å²	102.9	42%	0.417	50%	0.504	S	S	.	.	H	α-helix	trans	-66.2	-44.4	-177.8	-61.3	-22.5	0	0	0	110.6	I162 R163 A168 L169 E170	I162-D166 WeakPolarHBondContact CG2-OD2 3.01Å; I162-D166 VanDerWaalsContact O-CG 3.28Å; I162-D166 PolarHBondContact O-N 3.12Å; R163-D166 PolarHBondContact O-N 2.98Å; D166-A168 VanDerWaalsContact C-N 3.3Å; D166-A168 PolarHBondContact O-N 3.29Å; D166-L169 WeakPolarHBondContact O-CB 3.44Å; D166-L169 PolarHBondContact O-N 3.15Å; D166-L169 VanDerWaalsContact O-N 3.12Å; D166-E170 PolarHBondContact O-N 3.07Å
167	N	92.7	Very high	92.3	Very high	80 Å²	80	103.3 Å²	103.3	43%	0.428	50%	0.5	S	S	.	.	H	α-helix	trans	-58.8	-39.2	172.5	-69.8	12.7	0	0	0	112.7	R163 E170 L171	R163-N167 WeakPolarHBondContact O-CB 3.44Å; R163-N167 PolarHBondContact O-N 2.78Å; R163-N167 PolarHBondContact O-OD1 2.96Å; R163-N167 VanDerWaalsContact O-OD1 3.14Å; N167-E170 PolarHBondContact O-N 2.88Å; N167-L171 WeakPolarHBondContact O-CG 3.33Å; N167-L171 PolarHBondContact O-N 2.02Å
168	A	89.8	Confident	92.5	Very high	56 Å²	56	103.3 Å²	103.3	46%	0.463	50%	0.499	S	S	.	.	H	α-helix	trans	-69.1	-33.6	176.9	0	0	0	0	0	112.4	K164 R165 D166 A172	K164-A168 WeakPolarHBondContact O-CB 3.32Å; K164-A168 PolarHBondContact O-N 2.86Å; K164-A168 VanDerWaalsContact O-N 3.11Å; R165-A168 PolarHBondContact O-N 3.35Å; D166-A168 VanDerWaalsContact C-N 3.3Å; D166-A168 PolarHBondContact O-N 3.29Å; A168-A172 WeakPolarHBondContact O-CB 3.4Å; A168-A172 PolarHBondContact O-N 2.86Å
169	L	92	Very high	92.6	Very high	99 Å²	99	105.8 Å²	105.8	52%	0.518	51%	0.512	S	S	.	.	H	α-helix	trans	-67.3	-43.2	174	-178.8	63.3	0	0	0	111.5	R165 D166 A172 Q173	R165-L169 PolarHBondContact O-N 2.96Å; D166-L169 WeakPolarHBondContact O-CB 3.44Å; D166-L169 PolarHBondContact O-N 3.15Å; D166-L169 VanDerWaalsContact O-N 3.12Å; L169-A172 PolarHBondContact O-N 3Å; L169-Q173 WeakPolarHBondContact O-CG 3.37Å; L169-Q173 PolarHBondContact O-N 3.36Å
170	E	93.7	Very high	92.8	Very high	128 Å²	128	104.2 Å²	104.2	60%	0.598	51%	0.508	S	S	*	.	H	α-helix	trans	-61.3	-44.3	174.4	-71.3	-170.6	161.8	0	0	111.9	D166 N167 Q173 M174	D166-E170 PolarHBondContact O-N 3.07Å; N167-E170 PolarHBondContact O-N 2.88Å; E170-Q173 PolarHBondContact O-N 2.95Å; E170-M174 WeakPolarHBondContact O-CG 3.35Å; E170-M174 PolarHBondContact O-N 2.86Å
171	L	93.1	Very high	92.8	Very high	115 Å²	115	106.3 Å²	106.3	60%	0.602	52%	0.518	S	S	*	.	H	α-helix	trans	-57.6	-49.8	174.7	-77.6	166.6	0	0	0	111.7	N167 Q173 M174 E175	N167-L171 WeakPolarHBondContact O-CG 3.33Å; N167-L171 PolarHBondContact O-N 2.02Å; L171-Q173 VanDerWaalsContact C-N 3.3Å; L171-Q173 PolarHBondContact O-N 2.88Å; L171-M174 PolarHBondContact O-N 2.97Å; L171-E175 WeakPolarHBondContact O-CG 3.49Å; L171-E175 PolarHBondContact O-N 2.83Å
172	A	91.1	Very high	93	Very high	38 Å²	38	104.3 Å²	104.3	31%	0.314	51%	0.51	S	S	.	.	H	α-helix	trans	-61.6	-35.1	178.6	0	0	0	0	0	113	A168 L169 N176	A168-A172 WeakPolarHBondContact O-CB 3.4Å; A168-A172 PolarHBondContact O-N 2.86Å; L169-A172 PolarHBondContact O-N 3Å; A172-N176 PolarHBondContact O-N 3.39Å; A172-N176 VanDerWaalsContact O-N 3.12Å; A172-N176 PolarHBondContact O-ND2 3.5Å
173	Q	93.3	Very high	93.3	Very high	95 Å²	95	102.8 Å²	102.8	44%	0.444	51%	0.507	S	S	.	.	H	α-helix	trans	-68.1	-37.2	173.3	-72	179.1	13.3	0	0	112.5	L169 E170 L171 R177	L169-Q173 WeakPolarHBondContact O-CG 3.37Å; L169-Q173 PolarHBondContact O-N 3.36Å; E170-Q173 PolarHBondContact O-N 2.95Å; L171-Q173 VanDerWaalsContact C-N 3.3Å; L171-Q173 PolarHBondContact O-N 2.88Å; Q173-R177 PolarHBondContact O-N 2.84Å; Q173-R177 VanDerWaalsContact O-N 3.15Å
174	M	94.7	Very high	93.3	Very high	98 Å²	98	100.6 Å²	100.6	48%	0.483	50%	0.503	S	S	.	.	H	α-helix	trans	-69.5	-42.3	176.3	-68.9	-63.1	-76.6	0	0	111.7	E170 L171 N176 R177 I178	E170-M174 WeakPolarHBondContact O-CG 3.35Å; E170-M174 PolarHBondContact O-N 2.86Å; L171-M174 PolarHBondContact O-N 2.97Å; M174-N176 PolarHBondContact O-N 3.35Å; M174-R177 PolarHBondContact O-N 3.41Å; M174-R177 PolarHBondContact SD-NH2 2.84Å; M174-I178 WeakPolarHBondContact O-CG1 3.48Å; M174-I178 PolarHBondContact O-N 2.94Å
175	E	93.3	Very high	93.5	Very high	122 Å²	122	100.6 Å²	100.6	57%	0.57	51%	0.507	S	S	*	.	H	α-helix	trans	-57.6	-45.7	173.4	-73.2	178.3	165	0	0	111.9	L171 R177 I178 L179	L171-E175 WeakPolarHBondContact O-CG 3.49Å; L171-E175 PolarHBondContact O-N 2.83Å; E175-R177 VanDerWaalsContact C-N 3.35Å; E175-R177 PolarHBondContact O-N 3Å; E175-I178 PolarHBondContact O-N 3.18Å; E175-L179 WeakPolarHBondContact O-CB 3.31Å; E175-L179 PolarHBondContact O-N 3.41Å
176	N	93.3	Very high	93.6	Very high	109 Å²	109	98 Å²	98	58%	0.583	50%	0.502	S	S	*	.	H	α-helix	trans	-62.3	-39.1	176.4	-84.6	-84.6	0	0	0	112.7	A172 M174 L179 N180	A172-N176 PolarHBondContact O-N 3.39Å; A172-N176 VanDerWaalsContact O-N 3.12Å; A172-N176 PolarHBondContact O-ND2 3.5Å; M174-N176 PolarHBondContact O-N 3.35Å; N176-L179 PolarHBondContact O-N 2.7Å; N176-N180 PolarHBondContact O-N 2.7Å
177	R	95.4	Very high	93.9	Very high	138 Å²	138	99.1 Å²	99.1	52%	0.521	51%	0.505	S	S	.	.	H	α-helix	trans	-64.2	-43	173.9	-79.8	-173.5	-81.1	-120.8	-2.8	112.1	Q173 M174 E175 N180 Q181	Q173-R177 PolarHBondContact O-N 2.84Å; Q173-R177 VanDerWaalsContact O-N 3.15Å; M174-R177 PolarHBondContact O-N 3.41Å; M174-R177 PolarHBondContact SD-NH2 2.84Å; E175-R177 VanDerWaalsContact C-N 3.35Å; E175-R177 PolarHBondContact O-N 3Å; R177-N180 PolarHBondContact O-N 3.09Å; R177-Q181 WeakPolarHBondContact O-CG 3.42Å; R177-Q181 PolarHBondContact O-N 2.86Å
178	I	96.1	Very high	94.1	Very high	97 Å²	97	101.1 Å²	101.1	50%	0.497	52%	0.515	S	S	.	.	H	α-helix	trans	-64.6	-43.3	176.9	-68.2	165.7	0	0	0	110.8	M174 E175 N180 Q181 T182	M174-I178 WeakPolarHBondContact O-CG1 3.48Å; M174-I178 PolarHBondContact O-N 2.94Å; E175-I178 PolarHBondContact O-N 3.18Å; I178-N180 PolarHBondContact O-N 2.85Å; I178-Q181 PolarHBondContact O-N 2.87Å; I178-T182 VanDerWaalsContact O-CB 3.28Å; I178-T182 WeakPolarHBondContact O-CB 3.42Å; I178-T182 PolarHBondContact O-N 2.83Å; I178-T182 PolarHBondContact O-OG1 2.95Å
179	L	94.1	Very high	94.3	Very high	115 Å²	115	101.9 Å²	101.9	60%	0.602	52%	0.515	S	S	*	.	H	α-helix	trans	-59.1	-45.6	175.1	-86.5	157.8	0	0	0	111.8	E175 N176 T182 S183	E175-L179 WeakPolarHBondContact O-CB 3.31Å; E175-L179 PolarHBondContact O-N 3.41Å; N176-L179 PolarHBondContact O-N 2.7Å; L179-T182 PolarHBondContact O-N 2.81Å; L179-S183 WeakPolarHBondContact O-CB 3.45Å; L179-S183 PolarHBondContact O-N 2.84Å
180	N	95.1	Very high	94.4	Very high	88 Å²	88	101 Å²	101	47%	0.471	52%	0.517	S	S	.	.	H	α-helix	trans	-63.4	-48.6	177.1	-171.5	68.7	0	0	0	112	N176 R177 I178 T182 S183 E184	N176-N180 PolarHBondContact O-N 2.7Å; R177-N180 PolarHBondContact O-N 3.09Å; I178-N180 PolarHBondContact O-N 2.85Å; N180-T182 VanDerWaalsContact C-N 3.28Å; N180-T182 PolarHBondContact O-N 2.78Å; N180-S183 WeakPolarHBondContact O-CB 3.25Å; N180-S183 PolarHBondContact O-N 3.23Å; N180-E184 PolarHBondContact ND2-OE1 3.06Å; N180-E184 WeakPolarHBondContact O-CG 3.33Å; N180-E184 PolarHBondContact O-N 3.42Å
181	Q	95.1	Very high	94.5	Very high	129 Å²	129	103.3 Å²	103.3	60%	0.603	52%	0.52	S	S	*	.	H	α-helix	trans	-61.7	-35.6	176.6	-73.3	-175.8	-26.7	0	0	112.7	R177 I178 M185	R177-Q181 WeakPolarHBondContact O-CG 3.42Å; R177-Q181 PolarHBondContact O-N 2.86Å; I178-Q181 PolarHBondContact O-N 2.87Å; Q181-M185 WeakPolarHBondContact O-CB 3.35Å; Q181-M185 PolarHBondContact O-N 2.68Å
182	T	95.7	Very high	94.6	Very high	56 Å²	56	104.7 Å²	104.7	34%	0.344	52%	0.518	S	S	.	.	H	α-helix	trans	-67.1	-41.3	175.9	-56.9	0	0	0	0	111.1	I178 L179 N180 M185 Q186	I178-T182 VanDerWaalsContact O-CB 3.28Å; I178-T182 WeakPolarHBondContact O-CB 3.42Å; I178-T182 PolarHBondContact O-N 2.83Å; I178-T182 PolarHBondContact O-OG1 2.95Å; L179-T182 PolarHBondContact O-N 2.81Å; N180-T182 VanDerWaalsContact C-N 3.28Å; N180-T182 PolarHBondContact O-N 2.78Å; T182-M185 PolarHBondContact O-N 2.97Å; T182-Q186 WeakPolarHBondContact O-CG 3.01Å; T182-Q186 PolarHBondContact O-N 3.48Å
183	S	95.3	Very high	94.8	Very high	52 Å²	52	108.9 Å²	108.9	36%	0.364	53%	0.529	S	S	.	.	H	α-helix	trans	-61.9	-47.7	174.1	-176.5	0	0	0	0	111.7	L179 N180 M185 Q186 Q187	L179-S183 WeakPolarHBondContact O-CB 3.45Å; L179-S183 PolarHBondContact O-N 2.84Å; N180-S183 WeakPolarHBondContact O-CB 3.25Å; N180-S183 PolarHBondContact O-N 3.23Å; S183-M185 VanDerWaalsContact C-N 3.34Å; S183-M185 PolarHBondContact O-N 3.48Å; S183-Q186 PolarHBondContact O-N 3.48Å; S183-Q187 WeakPolarHBondContact O-CG 3.35Å; S183-Q187 PolarHBondContact O-N 3.06Å
184	E	95.1	Very high	94.9	Very high	107 Å²	107	108.1 Å²	108.1	50%	0.5	53%	0.528	S	S	.	.	H	α-helix	trans	-58.9	-42.9	175.2	-72.4	173.1	-170.2	0	0	111.9	N180 Q187 L188	N180-E184 PolarHBondContact ND2-OE1 3.06Å; N180-E184 WeakPolarHBondContact O-CG 3.33Å; N180-E184 PolarHBondContact O-N 3.42Å; E184-Q187 PolarHBondContact O-N 2.85Å; E184-L188 WeakPolarHBondContact O-CB 3.48Å; E184-L188 PolarHBondContact O-N 2.8Å
185	M	94.9	Very high	94.9	Very high	121 Å²	121	108.8 Å²	108.8	60%	0.596	53%	0.533	S	S	*	.	H	α-helix	trans	-66.9	-36.5	177.5	-174.3	159	61.4	0	0	113	Q181 T182 S183 L188 T189	Q181-M185 WeakPolarHBondContact O-CB 3.35Å; Q181-M185 PolarHBondContact O-N 2.68Å; T182-M185 PolarHBondContact O-N 2.97Å; S183-M185 VanDerWaalsContact C-N 3.34Å; S183-M185 PolarHBondContact O-N 3.48Å; M185-L188 PolarHBondContact O-N 2.67Å; M185-T189 WeakPolarHBondContact O-CB 3.24Å; M185-T189 PolarHBondContact O-N 3.24Å; M185-T189 PolarHBondContact O-OG1 2.82Å
186	Q	93.4	Very high	95	Very high	136 Å²	136	107.6 Å²	107.6	64%	0.636	53%	0.528	S	S	*	.	H	α-helix	trans	-64.4	-43.7	171.8	-74.6	179	6.4	0	0	111.7	T182 S183 L188 T189 S190	T182-Q186 WeakPolarHBondContact O-CG 3.01Å; T182-Q186 PolarHBondContact O-N 3.48Å; S183-Q186 PolarHBondContact O-N 3.48Å; Q186-L188 PolarHBondContact O-N 3.47Å; Q186-T189 PolarHBondContact O-N 3.35Å; Q186-S190 PolarHBondContact O-N 3.48Å
187	Q	94.8	Very high	95	Very high	102 Å²	102	108.5 Å²	108.5	48%	0.477	53%	0.528	S	S	.	.	H	α-helix	trans	-61.6	-42.8	175.1	-69.4	-179.1	33.5	0	0	111.8	S183 E184 T189 S190 R191	S183-Q187 WeakPolarHBondContact O-CG 3.35Å; S183-Q187 PolarHBondContact O-N 3.06Å; E184-Q187 PolarHBondContact O-N 2.85Å; Q187-T189 VanDerWaalsContact C-N 3.34Å; Q187-T189 PolarHBondContact O-N 3.45Å; Q187-S190 PolarHBondContact O-N 2.78Å; Q187-R191 WeakPolarHBondContact O-CG 3.42Å; Q187-R191 PolarHBondContact O-N 3.06Å
188	L	96.1	Very high	95	Very high	122 Å²	122	107.1 Å²	107.1	64%	0.639	53%	0.526	S	S	*	.	H	α-helix	trans	-62	-42.1	176.2	-175.9	63.3	0	0	0	111.7	E184 M185 Q186 S190 R191 Y192	E184-L188 WeakPolarHBondContact O-CB 3.48Å; E184-L188 PolarHBondContact O-N 2.8Å; M185-L188 PolarHBondContact O-N 2.67Å; Q186-L188 PolarHBondContact O-N 3.47Å; L188-S190 VanDerWaalsContact C-N 3.34Å; L188-S190 PolarHBondContact O-N 3.39Å; L188-R191 PolarHBondContact O-N 2.88Å; L188-Y192 PolarHBondContact O-N 3.2Å
189	T	95.5	Very high	95	Very high	73 Å²	73	108.4 Å²	108.4	45%	0.448	53%	0.525	S	S	.	.	H	α-helix	trans	-63.5	-39.3	176.8	-59.8	0	0	0	0	111.7	M185 Q186 Q187 Y192 K193	M185-T189 WeakPolarHBondContact O-CB 3.24Å; M185-T189 PolarHBondContact O-N 3.24Å; M185-T189 PolarHBondContact O-OG1 2.82Å; Q186-T189 PolarHBondContact O-N 3.35Å; Q187-T189 VanDerWaalsContact C-N 3.34Å; Q187-T189 PolarHBondContact O-N 3.45Å; T189-Y192 PolarHBondContact O-N 3.12Å; T189-K193 PolarHBondContact O-N 3.12Å
190	S	93.9	Very high	95	Very high	81 Å²	81	107.8 Å²	107.8	57%	0.566	52%	0.519	S	S	*	.	H	α-helix	trans	-63.9	-44.3	174.7	-178.3	0	0	0	0	112.2	Q186 Q187 L188 Y192 K193 D194	Q186-S190 PolarHBondContact O-N 3.48Å; Q187-S190 PolarHBondContact O-N 2.78Å; L188-S190 VanDerWaalsContact C-N 3.34Å; L188-S190 PolarHBondContact O-N 3.39Å; S190-Y192 VanDerWaalsContact C-N 3.33Å; S190-Y192 PolarHBondContact O-N 3.03Å; S190-K193 PolarHBondContact O-N 3.32Å; S190-D194 PolarHBondContact O-N 3.24Å
191	R	95.8	Very high	94.9	Very high	175 Å²	175	109.1 Å²	109.1	66%	0.66	52%	0.523	S	S	*	.	H	α-helix	trans	-64.1	-36.1	175.8	-68.1	179.9	-170.9	-176.5	6	112.7	Q187 L188 D194 L195	Q187-R191 WeakPolarHBondContact O-CG 3.42Å; Q187-R191 PolarHBondContact O-N 3.06Å; L188-R191 PolarHBondContact O-N 2.88Å; R191-D194 PolarHBondContact O-N 2.94Å; R191-L195 PolarHBondContact O-N 3.43Å
192	Y	95.5	Very high	94.9	Very high	144 Å²	144	108.2 Å²	108.2	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-63.6	-43.2	176.8	-169.4	-91.8	0	0	0	111.8	L188 T189 S190 D194 L195 E196	L188-Y192 PolarHBondContact O-N 3.2Å; T189-Y192 PolarHBondContact O-N 3.12Å; S190-Y192 VanDerWaalsContact C-N 3.33Å; S190-Y192 PolarHBondContact O-N 3.03Å; Y192-D194 PolarHBondContact O-N 3.24Å; Y192-L195 PolarHBondContact O-N 2.85Å; Y192-E196 WeakPolarHBondContact O-CB 3.42Å; Y192-E196 PolarHBondContact O-N 2.82Å
193	K	95.4	Very high	94.8	Very high	127 Å²	127	107.6 Å²	107.6	55%	0.552	52%	0.522	S	S	*	.	H	α-helix	trans	-62.6	-40.3	175.8	-70.9	-176.7	176.7	-173.4	0	113.3	T189 S190 E196 H197	T189-K193 PolarHBondContact O-N 3.12Å; S190-K193 PolarHBondContact O-N 3.32Å; K193-E196 PolarHBondContact O-N 3.15Å; K193-H197 PolarHBondContact O-CD2 3.02Å; K193-H197 VanDerWaalsContact O-CD2 3.3Å; K193-H197 PolarHBondContact O-N 3.45Å
194	D	94.6	Very high	94.7	Very high	79 Å²	79	107.5 Å²	107.5	42%	0.422	52%	0.521	S	S	.	.	H	α-helix	trans	-63.9	-40.7	174.3	169.3	62.9	0	0	0	111.8	S190 R191 Y192 H197 K198	S190-D194 PolarHBondContact O-N 3.24Å; R191-D194 PolarHBondContact O-N 2.94Å; Y192-D194 PolarHBondContact O-N 3.24Å; D194-H197 PolarHBondContact O-N 3.34Å; D194-K198 VanDerWaalsContact CG-NZ 3.29Å; D194-K198 WeakPolarHBondContact O-CG 3.46Å; D194-K198 PolarHBondContact O-N 2.82Å; D194-K198 WeakPolarHBondContact OD1-CE 3.48Å; D194-K198 IonicContact OD1-NZ 2.65Å; D194-K198 PolarHBondContact OD1-NZ 2.77Å; D194-K198 WeakPolarHBondContact OD2-CE 3.26Å; D194-K198 IonicContact OD2-NZ 2.89Å; D194-K198 PolarHBondContact OD2-NZ 3.21Å
195	L	95.6	Very high	94.7	Very high	112 Å²	112	105.9 Å²	105.9	59%	0.586	52%	0.516	S	S	*	.	H	α-helix	trans	-65.1	-38.9	174.7	-171.5	64	0	0	0	112.2	R191 Y192 K198 Y199	R191-L195 PolarHBondContact O-N 3.43Å; Y192-L195 PolarHBondContact O-N 2.85Å; L195-K198 PolarHBondContact O-N 3.02Å; L195-Y199 PolarHBondContact O-N 2.91Å
196	E	94.3	Very high	94.5	Very high	97 Å²	97	102.3 Å²	102.3	45%	0.453	51%	0.505	S	S	.	.	H	α-helix	trans	-61.7	-46.6	175.2	-171.7	179.3	178.5	0	0	111.6	Y192 K193 K198 Y199 Q200	Y192-E196 WeakPolarHBondContact O-CB 3.42Å; Y192-E196 PolarHBondContact O-N 2.82Å; K193-E196 PolarHBondContact O-N 3.15Å; E196-K198 VanDerWaalsContact C-N 3.35Å; E196-K198 PolarHBondContact O-N 2.83Å; E196-Y199 PolarHBondContact O-N 3.15Å; E196-Q200 WeakPolarHBondContact O-CG 3.45Å; E196-Q200 PolarHBondContact O-N 3.04Å
197	H	94.7	Very high	94.4	Very high	128 Å²	128	99.8 Å²	99.8	59%	0.593	50%	0.5	S	S	*	.	H	α-helix	trans	-60.5	-41.1	174.1	-81.1	-58.3	0	0	0	112.8	K193 D194 Y199 Q200 H201	K193-H197 PolarHBondContact O-CD2 3.02Å; K193-H197 VanDerWaalsContact O-CD2 3.3Å; K193-H197 PolarHBondContact O-N 3.45Å; D194-H197 PolarHBondContact O-N 3.34Å; H197-Y199 VanDerWaalsContact C-N 3.33Å; H197-Y199 PolarHBondContact O-N 2.84Å; H197-Q200 PolarHBondContact O-N 3.01Å; H197-H201 PolarHBondContact O-N 2.92Å
198	K	93.8	Very high	94.4	Very high	109 Å²	109	100 Å²	100	47%	0.474	50%	0.504	S	S	.	.	H	α-helix	trans	-63.7	-38.7	175.6	-74.2	165.6	179.8	166.3	0	112.1	D194 L195 E196 H201 L202	D194-K198 VanDerWaalsContact CG-NZ 3.29Å; D194-K198 WeakPolarHBondContact O-CG 3.46Å; D194-K198 PolarHBondContact O-N 2.82Å; D194-K198 WeakPolarHBondContact OD1-CE 3.48Å; D194-K198 IonicContact OD1-NZ 2.65Å; D194-K198 PolarHBondContact OD1-NZ 2.77Å; D194-K198 WeakPolarHBondContact OD2-CE 3.26Å; D194-K198 IonicContact OD2-NZ 2.89Å; D194-K198 PolarHBondContact OD2-NZ 3.21Å; L195-K198 PolarHBondContact O-N 3.02Å; E196-K198 VanDerWaalsContact C-N 3.35Å; E196-K198 PolarHBondContact O-N 2.83Å; K198-H201 PolarHBondContact O-N 2.92Å; K198-L202 WeakPolarHBondContact O-CG 3.33Å; K198-L202 PolarHBondContact O-N 2.71Å
199	Y	95.9	Very high	94.2	Very high	123 Å²	123	99.9 Å²	99.9	48%	0.482	50%	0.5	S	S	.	.	H	α-helix	trans	-66	-45.3	175.3	-173.5	-95.2	0	0	0	112	L195 E196 H197 H201 L202 A203	L195-Y199 PolarHBondContact O-N 2.91Å; E196-Y199 PolarHBondContact O-N 3.15Å; H197-Y199 VanDerWaalsContact C-N 3.33Å; H197-Y199 PolarHBondContact O-N 2.84Å; Y199-H201 VanDerWaalsContact C-N 3.31Å; Y199-H201 PolarHBondContact O-N 3.36Å; Y199-L202 PolarHBondContact O-N 2.91Å; Y199-A203 PolarHBondContact O-N 2.93Å
200	Q	94.1	Very high	94	Very high	102 Å²	102	99.9 Å²	99.9	48%	0.477	50%	0.503	S	S	.	.	H	α-helix	trans	-57.4	-43.2	174.2	-70	171.4	3.8	0	0	111.7	E196 H197 A203 S204	E196-Q200 WeakPolarHBondContact O-CG 3.45Å; E196-Q200 PolarHBondContact O-N 3.04Å; H197-Q200 PolarHBondContact O-N 3.01Å; Q200-A203 PolarHBondContact O-N 3.22Å; Q200-S204 PolarHBondContact O-N 3.41Å; Q200-S204 VanDerWaalsContact O-N 3.07Å
201	H	94.5	Very high	93.9	Very high	116 Å²	116	98.7 Å²	98.7	54%	0.537	50%	0.498	S	S	.	.	H	α-helix	trans	-62.6	-46	176.1	-176.7	-95	0	0	0	112.3	H197 K198 Y199 A203 S204 L205	H197-H201 PolarHBondContact O-N 2.92Å; K198-H201 PolarHBondContact O-N 2.92Å; Y199-H201 VanDerWaalsContact C-N 3.31Å; Y199-H201 PolarHBondContact O-N 3.36Å; H201-A203 VanDerWaalsContact C-N 3.34Å; H201-A203 PolarHBondContact O-N 3Å; H201-S204 PolarHBondContact O-N 3.47Å; H201-S204 PolarHBondContact O-OG 3.46Å; H201-L205 VanDerWaalsContact CE1-CD1 3.5Å; H201-L205 WeakPolarHBondContact CE1-CD1 3.36Å; H201-L205 PolarHBondContact O-N 2.91Å; H201-L205 VanDerWaalsContact O-N 3.08Å
202	L	95.3	Very high	93.7	Very high	110 Å²	110	95.2 Å²	95.2	58%	0.576	49%	0.491	S	S	*	.	H	α-helix	trans	-62	-38.9	176.1	-76.5	166.4	0	0	0	112.5	K198 Y199 S204 L205 A206	K198-L202 WeakPolarHBondContact O-CG 3.33Å; K198-L202 PolarHBondContact O-N 2.71Å; Y199-L202 PolarHBondContact O-N 2.91Å; L202-S204 VanDerWaalsContact C-N 3.33Å; L202-S204 PolarHBondContact O-N 2.76Å; L202-L205 PolarHBondContact O-N 2.85Å; L202-A206 PolarHBondContact O-N 2.85Å
203	A	93.6	Very high	93.4	Very high	44 Å²	44	92.8 Å²	92.8	36%	0.364	49%	0.487	S	S	.	.	H	α-helix	trans	-62.9	-37.7	174.5	0	0	0	0	0	112.4	Y199 Q200 H201 A206 T207	Y199-A203 PolarHBondContact O-N 2.93Å; Q200-A203 PolarHBondContact O-N 3.22Å; H201-A203 VanDerWaalsContact C-N 3.34Å; H201-A203 PolarHBondContact O-N 3Å; A203-A206 PolarHBondContact O-N 2.76Å; A203-T207 WeakPolarHBondContact O-CG2 3.37Å; A203-T207 PolarHBondContact O-N 2.91Å; A203-T207 PolarHBondContact O-OG1 3.22Å
204	S	93	Very high	93.1	Very high	49 Å²	49	88.8 Å²	88.8	34%	0.343	48%	0.478	S	S	.	.	H	α-helix	trans	-66.4	-37.4	174.8	80.9	0	0	0	0	112.8	Q200 H201 L202 T207 N208	Q200-S204 PolarHBondContact O-N 3.41Å; Q200-S204 VanDerWaalsContact O-N 3.07Å; H201-S204 PolarHBondContact O-N 3.47Å; H201-S204 PolarHBondContact O-OG 3.46Å; L202-S204 VanDerWaalsContact C-N 3.33Å; L202-S204 PolarHBondContact O-N 2.76Å; S204-T207 WeakPolarHBondContact CA-OG1 3.34Å; S204-T207 PolarHBondContact O-OG1 2.85Å; S204-N208 WeakPolarHBondContact O-CB 3.46Å; S204-N208 VanDerWaalsContact O-CG 3.27Å; S204-N208 PolarHBondContact O-N 2.9Å; S204-N208 PolarHBondContact O-ND2 3.34Å
205	L	93.7	Very high	92.7	Very high	73 Å²	73	91.3 Å²	91.3	38%	0.382	49%	0.489	S	S	.	.	H	α-helix	trans	-66.2	-46.3	173.9	-87.9	161.3	0	0	0	111.7	H201 L202 T207 N208 Q209	H201-L205 VanDerWaalsContact CE1-CD1 3.5Å; H201-L205 WeakPolarHBondContact CE1-CD1 3.36Å; H201-L205 PolarHBondContact O-N 2.91Å; H201-L205 VanDerWaalsContact O-N 3.08Å; L202-L205 PolarHBondContact O-N 2.85Å; L205-T207 VanDerWaalsContact C-N 3.35Å; L205-T207 PolarHBondContact O-N 2.84Å; L205-N208 PolarHBondContact O-N 2.83Å; L205-Q209 WeakPolarHBondContact O-CB 3.41Å; L205-Q209 WeakPolarHBondContact O-CG 3.35Å; L205-Q209 PolarHBondContact O-N 3.41Å
206	A	92.4	Very high	92.2	Very high	46 Å²	46	90.4 Å²	90.4	38%	0.38	48%	0.484	S	S	.	.	H	α-helix	trans	-63.8	-38.4	179.8	0	0	0	0	0	112.5	L202 A203 S210	L202-A206 PolarHBondContact O-N 2.85Å; A203-A206 PolarHBondContact O-N 2.76Å; A206-S210 WeakPolarHBondContact O-CB 3.36Å; A206-S210 PolarHBondContact O-N 2.98Å; A206-S210 PolarHBondContact O-OG 2.98Å
207	T	91.3	Very high	91.7	Very high	84 Å²	84	91.1 Å²	91.1	52%	0.515	49%	0.487	S	S	.	.	H	α-helix	trans	-69.4	-41.5	175.3	44.5	0	0	0	0	112.1	A203 S204 L205 S210 A211	A203-T207 WeakPolarHBondContact O-CG2 3.37Å; A203-T207 PolarHBondContact O-N 2.91Å; A203-T207 PolarHBondContact O-OG1 3.22Å; S204-T207 WeakPolarHBondContact CA-OG1 3.34Å; S204-T207 PolarHBondContact O-OG1 2.85Å; L205-T207 VanDerWaalsContact C-N 3.35Å; L205-T207 PolarHBondContact O-N 2.84Å; T207-S210 WeakPolarHBondContact O-CB 3.48Å; T207-S210 PolarHBondContact O-N 3.13Å; T207-A211 PolarHBondContact O-N 2.78Å
208	N	93.1	Very high	91.1	Very high	105 Å²	105	91.3 Å²	91.3	56%	0.561	49%	0.489	S	S	*	.	H	α-helix	trans	-61.1	-44.5	172.3	-76.8	-22.1	0	0	0	112.6	S204 L205 S210 A211 I212	S204-N208 WeakPolarHBondContact O-CB 3.46Å; S204-N208 VanDerWaalsContact O-CG 3.27Å; S204-N208 PolarHBondContact O-N 2.9Å; S204-N208 PolarHBondContact O-ND2 3.34Å; L205-N208 PolarHBondContact O-N 2.83Å; N208-S210 VanDerWaalsContact C-N 3.32Å; N208-S210 PolarHBondContact O-N 3.31Å; N208-A211 PolarHBondContact O-N 3.1Å; N208-I212 WeakPolarHBondContact O-CG1 3.44Å; N208-I212 PolarHBondContact O-N 2.74Å; N208-I212 VanDerWaalsContact O-N 3.09Å
209	Q	92.1	Very high	90.4	Very high	120 Å²	120	92.2 Å²	92.2	56%	0.561	49%	0.494	S	S	*	.	H	α-helix	trans	-61.2	-42	175.4	-75.6	176.1	-13.1	0	0	111.7	L205 A211 I212 I213	L205-Q209 WeakPolarHBondContact O-CB 3.41Å; L205-Q209 WeakPolarHBondContact O-CG 3.35Å; L205-Q209 PolarHBondContact O-N 3.41Å; Q209-A211 VanDerWaalsContact C-N 3.32Å; Q209-A211 PolarHBondContact O-N 3.16Å; Q209-I212 PolarHBondContact O-N 2.88Å; Q209-I213 VanDerWaalsContact O-CG1 3.3Å; Q209-I213 WeakPolarHBondContact O-CG1 3.48Å; Q209-I213 PolarHBondContact O-N 3.25Å
210	S	91.6	Very high	89.4	Confident	74 Å²	74	90.4 Å²	90.4	52%	0.517	50%	0.499	S	S	.	.	H	α-helix	trans	-62.6	-36.7	177.5	-58.7	0	0	0	0	112.3	A206 T207 N208 A214	A206-S210 WeakPolarHBondContact O-CB 3.36Å; A206-S210 PolarHBondContact O-N 2.98Å; A206-S210 PolarHBondContact O-OG 2.98Å; T207-S210 WeakPolarHBondContact O-CB 3.48Å; T207-S210 PolarHBondContact O-N 3.13Å; N208-S210 VanDerWaalsContact C-N 3.32Å; N208-S210 PolarHBondContact O-N 3.31Å; S210-A214 PolarHBondContact O-N 2.79Å; S210-A214 VanDerWaalsContact O-N 3.16Å
211	A	91.4	Very high	88.2	Confident	55 Å²	55	92.6 Å²	92.6	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-67.3	-43.1	174	0	0	0	0	0	112.4	T207 N208 Q209 A214 M215	T207-A211 PolarHBondContact O-N 2.78Å; N208-A211 PolarHBondContact O-N 3.1Å; Q209-A211 VanDerWaalsContact C-N 3.32Å; Q209-A211 PolarHBondContact O-N 3.16Å; A211-A214 PolarHBondContact O-N 3.06Å; A211-M215 WeakPolarHBondContact O-CG 3.38Å; A211-M215 PolarHBondContact O-N 2.87Å; A211-M215 VanDerWaalsContact O-N 3.1Å
212	I	92	Very high	86.7	Confident	102 Å²	102	91.8 Å²	91.8	52%	0.523	52%	0.517	S	S	.	.	H	α-helix	trans	-63.2	-42.8	176.9	-67.3	165.7	0	0	0	111.1	N208 Q209 A214 M215 L216	N208-I212 WeakPolarHBondContact O-CG1 3.44Å; N208-I212 PolarHBondContact O-N 2.74Å; N208-I212 VanDerWaalsContact O-N 3.09Å; Q209-I212 PolarHBondContact O-N 2.88Å; I212-A214 PolarHBondContact O-N 2.97Å; I212-M215 PolarHBondContact O-N 3.11Å; I212-L216 HydrophobicContact CG2-CD1 3.96Å; I212-L216 HydrophobicContact CG2-CG 4.47Å; I212-L216 WeakPolarHBondContact O-CG 3.49Å; I212-L216 PolarHBondContact O-N 2.94Å
213	I	89.8	Confident	85	Confident	93 Å²	93	96.5 Å²	96.5	48%	0.477	53%	0.527	S	S	.	.	H	α-helix	trans	-59.8	-47.2	176.9	-68.8	163.7	0	0	0	110.3	Q209 M215 L216 E217	Q209-I213 VanDerWaalsContact O-CG1 3.3Å; Q209-I213 WeakPolarHBondContact O-CG1 3.48Å; Q209-I213 PolarHBondContact O-N 3.25Å; I213-M215 VanDerWaalsContact C-N 3.34Å; I213-M215 PolarHBondContact O-N 3.12Å; I213-L216 PolarHBondContact O-N 2.94Å; I213-L216 VanDerWaalsContact O-N 3.13Å; I213-E217 HydrophobicContact CG2-CG 4.37Å; I213-E217 WeakPolarHBondContact O-CG 3.45Å; I213-E217 PolarHBondContact O-N 2.86Å
214	A	87.9	Confident	83.2	Confident	44 Å²	44	101.8 Å²	101.8	36%	0.364	54%	0.544	S	S	.	.	H	α-helix	trans	-59.5	-41.3	178.1	0	0	0	0	0	112.9	S210 A211 I212 E217 E218	S210-A214 PolarHBondContact O-N 2.79Å; S210-A214 VanDerWaalsContact O-N 3.16Å; A211-A214 PolarHBondContact O-N 3.06Å; I212-A214 PolarHBondContact O-N 2.97Å; A214-E217 PolarHBondContact O-N 3.06Å; A214-E218 PolarHBondContact O-N 3.49Å; A214-E218 VanDerWaalsContact O-N 3.08Å
215	M	87.1	Confident	81.4	Confident	131 Å²	131	105 Å²	105	65%	0.645	56%	0.564	S	S	*	*	H	α-helix	trans	-63.7	-39.2	175.1	-70.4	179.1	66.3	0	0	112.6	A211 I212 I213 Q219	A211-M215 WeakPolarHBondContact O-CG 3.38Å; A211-M215 PolarHBondContact O-N 2.87Å; A211-M215 VanDerWaalsContact O-N 3.1Å; I212-M215 PolarHBondContact O-N 3.11Å; I213-M215 VanDerWaalsContact C-N 3.34Å; I213-M215 PolarHBondContact O-N 3.12Å; M215-Q219 WeakPolarHBondContact O-CB 3.32Å; M215-Q219 PolarHBondContact O-N 3.03Å
216	L	85.5	Confident	79.6	Confident	93 Å²	93	107.7 Å²	107.7	49%	0.487	59%	0.585	S	S	.	*	H	α-helix	trans	-70.7	-36.8	177.9	-70	170.7	0	0	0	112	I212 I213 Q219 C220	I212-L216 HydrophobicContact CG2-CD1 3.96Å; I212-L216 HydrophobicContact CG2-CG 4.47Å; I212-L216 WeakPolarHBondContact O-CG 3.49Å; I212-L216 PolarHBondContact O-N 2.94Å; I213-L216 PolarHBondContact O-N 2.94Å; I213-L216 VanDerWaalsContact O-N 3.13Å; L216-Q219 PolarHBondContact O-N 2.98Å; L216-C220 WeakPolarHBondContact O-CB 3.26Å; L216-C220 PolarHBondContact O-N 3.34Å; L216-C220 PolarHBondContact O-SG 3.23Å
217	E	83.4	Confident	77.4	Confident	112 Å²	112	116.9 Å²	116.9	52%	0.523	61%	0.61	S	S	.	*	H	α-helix	trans	-61.1	-46.1	172.9	-74	177.5	168.5	0	0	111.5	I213 A214 Q219 C220 Q221	I213-E217 HydrophobicContact CG2-CG 4.37Å; I213-E217 WeakPolarHBondContact O-CG 3.45Å; I213-E217 PolarHBondContact O-N 2.86Å; A214-E217 PolarHBondContact O-N 3.06Å; E217-Q219 PolarHBondContact O-N 2.97Å; E217-C220 PolarHBondContact O-N 3.32Å; E217-Q221 WeakPolarHBondContact O-CG 3.25Å; E217-Q221 PolarHBondContact O-N 2.63Å
218	E	81	Confident	75.2	Confident	133 Å²	133	123.3 Å²	123.3	62%	0.621	63%	0.626	S	S	*	*	H	α-helix	trans	-61.9	-40.7	176.2	-173.2	173.1	-158.7	0	0	112.1	A214 Q221 S222	A214-E218 PolarHBondContact O-N 3.49Å; A214-E218 VanDerWaalsContact O-N 3.08Å; E218-Q221 PolarHBondContact O-N 3.27Å; E218-S222 PolarHBondContact O-N 3.43Å; E218-S222 VanDerWaalsContact O-N 3.1Å; E218-S222 PolarHBondContact O-OG 3Å
219	Q	79.7	Confident	73.3	Confident	127 Å²	127	124.7 Å²	124.7	59%	0.593	64%	0.638	S	S	*	*	H	α-helix	trans	-69.1	-33.2	177.1	-162.6	174.4	25.1	0	0	112.9	M215 L216 E217	M215-Q219 WeakPolarHBondContact O-CB 3.32Å; M215-Q219 PolarHBondContact O-N 3.03Å; L216-Q219 PolarHBondContact O-N 2.98Å; E217-Q219 PolarHBondContact O-N 2.97Å
220	C	74.8	Confident	71.3	Confident	86 Å²	86	124.3 Å²	124.3	58%	0.581	65%	0.646	S	S	*	*	H	α-helix	trans	-71.8	-43.1	173	-81.6	0	0	0	0	112.5	L216 E217 S222 R223	L216-C220 WeakPolarHBondContact O-CB 3.26Å; L216-C220 PolarHBondContact O-N 3.34Å; L216-C220 PolarHBondContact O-SG 3.23Å; E217-C220 PolarHBondContact O-N 3.32Å; C220-S222 PolarHBondContact O-N 2.97Å; C220-R223 PolarHBondContact O-N 3.43Å; C220-R223 VanDerWaalsContact O-N 3.11Å
221	Q	69.8	Low	69.1	Low	147 Å²	147	125 Å²	125	69%	0.687	66%	0.657	S	S	*	*	H	α-helix	trans	-60.6	-35.9	176.2	-72.3	174.9	24.6	0	0	111.6	E217 E218 R223 H224	E217-Q221 WeakPolarHBondContact O-CG 3.25Å; E217-Q221 PolarHBondContact O-N 2.63Å; E218-Q221 PolarHBondContact O-N 3.27Å; Q221-R223 PolarHBondContact O-N 2.94Å; Q221-R223 VanDerWaalsContact O-N 3.13Å; Q221-H224 PolarHBondContact O-N 2.91Å
222	S	63.3	Low	67.3	Low	100 Å²	100	128.1 Å²	128.1	70%	0.699	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-8.4	176.5	-60.8	0	0	0	0	115.2	E218 C220	E218-S222 PolarHBondContact O-N 3.43Å; E218-S222 VanDerWaalsContact O-N 3.1Å; E218-S222 PolarHBondContact O-OG 3Å; C220-S222 PolarHBondContact O-N 2.97Å
223	R	59.6	Low	65.5	Low	208 Å²	208	132 Å²	132	79%	0.785	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	-4.2	179.7	-78.7	-171.7	170.8	-166.6	-1.1	115.4	C220 Q221	C220-R223 PolarHBondContact O-N 3.43Å; C220-R223 VanDerWaalsContact O-N 3.11Å; Q221-R223 PolarHBondContact O-N 2.94Å; Q221-R223 VanDerWaalsContact O-N 3.13Å
224	H	55.2	Low	63.7	Low	156 Å²	156	133.4 Å²	133.4	72%	0.722	71%	0.706	S	S	*	*	S	Bend	trans	-131.7	125.1	-179.5	-74.8	-71.4	0	0	0	112.7	Q221	Q221-H224 PolarHBondContact O-N 2.91Å
225	P	54.1	Low	62.3	Low	116 Å²	116	141.9 Å²	141.9	75%	0.753	73%	0.729	S	S	*	*			trans	-69.6	156.1	169.2	30.7	-33.6	0	0	0	110.9
226	P	56.3	Low	60.5	Low	129 Å²	129	141.4 Å²	141.4	84%	0.838	74%	0.736	S	S	*	*			trans	-79.7	141.2	-149.8	29.6	-36.7	0	0	0	114.3
227	R	47.1	Very low	59	Low	240 Å²	240	145.4 Å²	145.4	91%	0.906	75%	0.752	S	S	*	*			trans	-137	115.9	156	-108.3	-175.4	174.9	-179.5	-1.2	111.6
228	Y	44.5	Very low	57.8	Low	218 Å²	218	145.1 Å²	145.1	86%	0.855	76%	0.76	S	S	*	*			trans	44.5	102	158.6	-89.2	-93.7	0	0	0	118.7	P230	Y228-P230 WeakPolarHBondContact O-CD 3.31Å
229	V	53.9	Low	56.7	Low	134 Å²	134	143.4 Å²	143.4	81%	0.812	76%	0.76	S	S	*	*			trans	-72.6	136.1	155.9	-176.9	0	0	0	0	109.4
230	P	49.4	Very low	55.8	Low	112 Å²	112	142.6 Å²	142.6	73%	0.727	77%	0.766	S	S	*	*			trans	-125.4	145.1	140.6	34.8	-26.1	0	0	0	112.5	Y228	Y228-P230 WeakPolarHBondContact O-CD 3.31Å
231	A	44.8	Very low	55	Low	90 Å²	90	144 Å²	144	74%	0.744	77%	0.774	S	S	*	*			trans	58.4	106.2	166.6	0	0	0	0	0	117.8	Q233	A231-Q233 PolarHBondContact O-N 2.93Å
232	S	54.2	Low	54.3	Low	120 Å²	120	141.6 Å²	141.6	84%	0.839	77%	0.771	S	S	*	*			trans	-52	115.2	161.2	50.6	0	0	0	0	112.3
233	Q	54.6	Low	53.6	Low	182 Å²	182	141.2 Å²	141.2	85%	0.85	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-82.1	138	157.9	-73.5	-173.8	-12.3	0	0	109.4	A231 R235	A231-Q233 PolarHBondContact O-N 2.93Å; Q233-R235 PolarHBondContact O-N 2.99Å
234	P	51.3	Low	53.6	Low	123 Å²	123	136.5 Å²	136.5	80%	0.799	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-63.4	132.8	173.5	-18	30.9	0	0	0	110.3
235	R	58	Low	53.4	Low	223 Å²	223	134.6 Å²	134.6	84%	0.842	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-53	130.7	170.2	-160.7	-177.5	-156.9	-161.9	6.5	108.8	Q233 Q237	Q233-R235 PolarHBondContact O-N 2.99Å; R235-Q237 PolarHBondContact O-N 2.83Å
236	P	49.6	Very low	52.7	Low	121 Å²	121	136.2 Å²	136.2	79%	0.786	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-56.8	116.5	173.1	-23.1	33.2	0	0	0	108.9
237	Q	54.3	Low	52.4	Low	176 Å²	176	138 Å²	138	82%	0.822	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-67	141.6	170	-67.3	-175.7	1.6	0	0	107.8	R235	R235-Q237 PolarHBondContact O-N 2.83Å
238	P	58.9	Low	51.9	Low	106 Å²	106	135.4 Å²	135.4	69%	0.688	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-56.4	141	171.3	25.7	-33.6	0	0	0	108.7
239	P	58.3	Low	51.6	Low	97 Å²	97	130.5 Å²	130.5	63%	0.63	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-56.8	136.1	176.9	24.6	-33.2	0	0	0	108.9
240	P	59.9	Low	50.9	Low	111 Å²	111	135.4 Å²	135.4	72%	0.721	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-58.9	148.2	176.6	25.7	-33.8	0	0	0	109.4
241	P	59.2	Low	50.2	Low	116 Å²	116	138.1 Å²	138.1	75%	0.753	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-55.4	144.1	174.7	25.3	-34.2	0	0	0	109.4	S243	P241-S243 PolarHBondContact O-N 2.95Å
242	P	53	Low	50.2	Low	95 Å²	95	138.9 Å²	138.9	62%	0.617	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-56.4	120.9	177.4	23.9	-32.9	0	0	0	108.6
243	S	50.4	Low	50	Low	93 Å²	93	138.9 Å²	138.9	65%	0.65	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-61.1	143.4	175.1	38.4	0	0	0	0	109.4	P241	P241-S243 PolarHBondContact O-N 2.95Å
244	P	58	Low	49	Very low	108 Å²	108	141.3 Å²	141.3	70%	0.701	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-55.1	142.8	168.6	26.1	-34	0	0	0	108.2	L246	P244-L246 PolarHBondContact O-N 3.17Å
245	P	52.2	Low	48.4	Very low	117 Å²	117	143.3 Å²	143.3	76%	0.76	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-55.2	120.9	-173.6	21.4	-32.6	0	0	0	109.8	N247	P245-N247 PolarHBondContact O-N 2.96Å
246	L	38.4	Very low	47.4	Very low	150 Å²	150	138 Å²	138	79%	0.785	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-53.4	126.5	175.1	-115.6	79.6	0	0	0	108.3	P244 K248	P244-L246 PolarHBondContact O-N 3.17Å; L246-K248 PolarHBondContact O-N 3.36Å
247	N	49.8	Very low	46.9	Very low	165 Å²	165	138.5 Å²	138.5	88%	0.882	76%	0.763	S	S	*	*			trans	-52.9	104.1	163	-93.1	-19.5	0	0	0	108	P245	P245-N247 PolarHBondContact O-N 2.96Å
248	K	36.4	Very low	45.9	Very low	187 Å²	187	137.9 Å²	137.9	81%	0.813	76%	0.764	S	S	*	*			trans	-66.6	148.6	161.1	-81.3	-170.5	175.3	-178.4	0	108	L246 Y250	L246-K248 PolarHBondContact O-N 3.36Å; K248-Y250 PolarHBondContact O-N 2.87Å
249	P	39.4	Very low	44.8	Very low	114 Å²	114	140.6 Å²	140.6	74%	0.74	77%	0.772	S	S	*	*			trans	-59.5	136.5	-167.7	-23.7	33.9	0	0	0	111.7	Q251	P249-Q251 PolarHBondContact O-N 3.11Å
250	Y	39	Very low	43.8	Very low	237 Å²	237	141.8 Å²	141.8	93%	0.929	78%	0.78	S	S	*	*			trans	-52.7	110.8	158.4	-112.1	-102.3	0	0	0	108	K248	K248-Y250 PolarHBondContact O-N 2.87Å
251	Q	35.3	Very low	42.5	Very low	170 Å²	170	147.9 Å²	147.9	79%	0.794	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-102.7	145.6	156	-77.7	-167.8	-37	0	0	108.5	P249	P249-Q251 PolarHBondContact O-N 3.11Å
252	P	43.9	Very low	41.2	Very low	105 Å²	105	150.1 Å²	150.1	68%	0.682	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-74.3	162.7	-161.4	-13.4	29.8	0	0	0	112.4	Y254	P252-Y254 PolarHBondContact O-N 3.22Å
253	P	49	Very low	40.1	Very low	121 Å²	121	152 Å²	152	79%	0.786	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-60.3	123.7	173.3	-18.8	31.5	0	0	0	110.8	Q255	P253-Q255 PolarHBondContact O-N 2.95Å
254	Y	33.9	Very low	39.2	Very low	232 Å²	232	155 Å²	155	91%	0.91	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-66.2	124	168.1	-95.1	-93	0	0	0	109.7	P252	P252-Y254 PolarHBondContact O-N 3.22Å
255	Q	38.5	Very low	38.6	Very low	165 Å²	165	155 Å²	155	77%	0.771	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-72.6	148.2	175.8	-62.9	167.4	-49.5	0	0	110.6	P253	P253-Q255 PolarHBondContact O-N 2.95Å
256	P	37.9	Very low	37.5	Very low	113 Å²	113	157.6 Å²	157.6	73%	0.734	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-67.4	158.2	162.6	30.6	-33.8	0	0	0	110.9
257	P	38.9	Very low	37	Very low	130 Å²	130	155.6 Å²	155.6	84%	0.844	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-70	138.1	-164	-19.8	33.1	0	0	0	114.5
258	L	34.2	Very low	36.1	Very low	164 Å²	164	155.1 Å²	155.1	86%	0.859	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-80.8	124.4	166.3	-72.4	169.8	0	0	0	110.6
259	L	35.3	Very low	35.7	Very low	162 Å²	162	155.5 Å²	155.5	85%	0.848	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-76.2	151.3	155.7	-82.5	161.6	0	0	0	109.5
260	P	36.8	Very low	35.5	Very low	122 Å²	122	157.3 Å²	157.3	79%	0.792	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-74.8	137.5	-157.2	27.9	-35.6	0	0	0	114
261	R	32.1	Very low	35	Very low	239 Å²	239	154.9 Å²	154.9	90%	0.902	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-99.8	123.8	171.5	-170.2	178.8	-172.8	-180	2.3	109.6
262	I	31.8	Very low	34.8	Very low	163 Å²	163	151.4 Å²	151.4	84%	0.836	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-81.1	140.2	168.4	-67.2	174.3	0	0	0	108.9
263	N	29.7	Very low	34	Very low	134 Å²	134	153.7 Å²	153.7	72%	0.717	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-71.5	144.8	-176.5	-64.8	-28.2	0	0	0	112.9
264	N	31.8	Very low	33.4	Very low	157 Å²	157	155.9 Å²	155.9	84%	0.84	81%	0.812	S	S	*	*				-173.9	165	102.2	-99.1	-10.2	0	0	0	112.6
265	P	46.6	Very low	33.2	Very low	108 Å²	108	153.7 Å²	153.7	70%	0.701	81%	0.807	S	S	*	*			trans	-106.4	179.3	-151.8	41.5	-37.6	0	0	0	114.2
266	I	28	Very low	33.1	Very low	172 Å²	172	150.7 Å²	150.7	88%	0.882	80%	0.804	S	S	*	*			trans	-159.2	151.3	132.8	-98.7	147.2	0	0	0	109.3
267	S	27.8	Very low	32.6	Very low	108 Å²	108	153.4 Å²	153.4	76%	0.755	81%	0.812	S	S	*	*			trans	-72.9	157.2	-162.2	-51.5	0	0	0	0	116.2
268	N	32.5	Very low	32.5	Very low	155 Å²	155	152.1 Å²	152.1	83%	0.829	80%	0.803	S	S	*	*			trans	-79.4	133.1	152.9	-70.3	-27.5	0	0	0	109.4
269	E	27	Very low	32.6	Very low	195 Å²	195	150.4 Å²	150.4	91%	0.911	80%	0.802	S	S	*	*			trans	-131.5	135.9	143	-75	-164.7	155	0	0	108.8
270	I	35.3	Very low	32.5	Very low	152 Å²	152	150.4 Å²	150.4	78%	0.779	80%	0.802	S	S	*	*			trans	-113.7	122.6	174	-65.9	166.2	0	0	0	105.4
271	Q	29.6	Very low	32.4	Very low	185 Å²	185	149.6 Å²	149.6	86%	0.864	80%	0.797	S	S	*	*				-177.8	152.8	114.5	-132.7	152.9	13.2	0	0	114.1
272	S	30.6	Very low	32.8	Very low	97 Å²	97	144.8 Å²	144.8	68%	0.678	79%	0.794	S	S	*	*			trans	60.5	117.4	158.7	-144.1	0	0	0	0	119
273	D	27.5	Very low	33	Very low	153 Å²	153	144.5 Å²	144.5	82%	0.818	79%	0.791	S	S	*	*				-167.9	162.7	91.8	-104.4	-8.4	0	0	0	114.8
274	Q	35.5	Very low	33.2	Very low	167 Å²	167	143.4 Å²	143.4	78%	0.78	79%	0.791	S	S	*	*			trans	-76.9	138.7	-178.7	-56.3	167.4	-16.7	0	0	112.1
275	K	28.8	Very low	33.7	Very low	186 Å²	186	142.6 Å²	142.6	81%	0.809	79%	0.792	S	S	*	*				167.4	132.9	116.5	-91.6	163.2	-177.6	171.1	0	114.3
276	S	37.5	Very low	33	Very low	102 Å²	102	140.8 Å²	140.8	71%	0.713	79%	0.793	S	S	*	*			trans	0.3	132.9	150.7	56.5	0	0	0	0	120.5
277	L	28.3	Very low	33.7	Very low	171 Å²	171	137.9 Å²	137.9	90%	0.895	78%	0.783	S	S	*	*			trans	-172.5	166.8	135.6	-100	158.9	0	0	0	109.6
278	P	36.3	Very low	34.1	Very low	102 Å²	102	141.6 Å²	141.6	66%	0.662	79%	0.788	S	S	*	*	P	Polyproline II helix		-102.4	167.5	-112.4	40.5	-36.7	0	0	0	115.8
279	P	36.8	Very low	34.2	Very low	128 Å²	128	139.7 Å²	139.7	83%	0.831	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-73.4	136.9	170.5	30.6	-34	0	0	0	112.6
280	L	31.2	Very low	34.8	Very low	162 Å²	162	136 Å²	136	85%	0.848	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-73.8	152.3	169.6	-130.7	62.8	0	0	0	110
281	P	36.3	Very low	34.7	Very low	105 Å²	105	133.6 Å²	133.6	68%	0.682	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-82.2	135.6	-153.5	31.4	-33.4	0	0	0	114.1	M283	P281-M283 PolarHBondContact O-N 2.85Å
282	T	40.4	Very low	35.3	Very low	138 Å²	138	131 Å²	131	85%	0.847	77%	0.774	S	S	*	*			trans	-67	115.8	164.5	-42.2	0	0	0	0	109.6
283	M	35.3	Very low	35.7	Very low	158 Å²	158	131.4 Å²	131.4	78%	0.778	77%	0.772	S	S	*	*			trans	-84.2	148.2	167.1	-73.1	-60.8	-68.8	0	0	110.7	P281	P281-M283 PolarHBondContact O-N 2.85Å
284	P	34.7	Very low	36.5	Very low	110 Å²	110	132 Å²	132	71%	0.714	78%	0.775	S	S	*	*			trans	-74.7	151.4	-162.9	-16.9	32.2	0	0	0	113.8	G286	P284-G286 VanDerWaalsContact C-N 3.35Å; P284-G286 PolarHBondContact O-N 3.38Å
285	V	40.9	Very low	37.1	Very low	140 Å²	140	128.6 Å²	128.6	85%	0.848	76%	0.758	S	S	*	*			trans	-66.2	94.8	162.9	176.8	0	0	0	0	108.5	T287	V285-T287 PolarHBondContact O-N 3.04Å
286	G	32.7	Very low	38.2	Very low	71 Å²	71	125.2 Å²	125.2	73%	0.732	76%	0.755	S	S	*	*			trans	-81.9	91.7	172.3	0	0	0	0	0	110.8	P284 H288	P284-G286 VanDerWaalsContact C-N 3.35Å; P284-G286 PolarHBondContact O-N 3.38Å; G286-H288 PolarHBondContact O-N 3.07Å; G286-H288 VanDerWaalsContact O-N 3.14Å
287	T	42.8	Very low	39.7	Very low	110 Å²	110	125.1 Å²	125.1	68%	0.675	76%	0.755	S	S	*	*			trans	-65.3	104.5	-177.9	-44.9	0	0	0	0	112.6	V285	V285-T287 PolarHBondContact O-N 3.04Å
288	H	36.4	Very low	41.6	Very low	186 Å²	186	118.3 Å²	118.3	86%	0.861	73%	0.725	S	S	*	*			trans	-149.5	82.8	156	-77.5	-54	0	0	0	111	G286 P290	G286-H288 PolarHBondContact O-N 3.07Å; G286-H288 VanDerWaalsContact O-N 3.14Å; H288-P290 WeakPolarHBondContact O-CD 3.3Å
289	S	33.9	Very low	44.1	Very low	116 Å²	116	116.6 Å²	116.6	81%	0.811	71%	0.714	S	S	*	*			trans	-75	123.7	163.8	-60.5	0	0	0	0	109.9
290	P	40.6	Very low	46.8	Very low	118 Å²	118	110.9 Å²	110.9	77%	0.766	68%	0.677	S	S	*	*			trans	-78.6	117.9	161.5	-0.5	19.2	0	0	0	108.7	H288	H288-P290 WeakPolarHBondContact O-CD 3.3Å
291	S	32.6	Very low	49.7	Very low	100 Å²	100	107.2 Å²	107.2	70%	0.699	65%	0.651	S	S	*	*			trans	36.3	111.7	155.8	57.8	0	0	0	0	119.2	T293	S291-T293 PolarHBondContact O-N 3.09Å
292	T	42.5	Very low	52.5	Low	130 Å²	130	102.3 Å²	102.3	80%	0.798	62%	0.619	S	S	*	*			trans	-46.6	127.9	152.4	45.7	0	0	0	0	113.1
293	T	38.3	Very low	55.2	Low	106 Å²	106	95.7 Å²	95.7	65%	0.65	58%	0.579	S	S	*	*			trans	-138.1	109.6	151.7	47.7	0	0	0	0	109	S291 K295	S291-T293 PolarHBondContact O-N 3.09Å; T293-K295 VanDerWaalsContact C-N 3.25Å; T293-K295 PolarHBondContact O-N 2.88Å
294	D	44.9	Very low	58.1	Low	165 Å²	165	89.1 Å²	89.1	88%	0.882	55%	0.547	S	S	*	.			trans	-73.6	73.7	177.6	-66.2	-64.2	0	0	0	111.7
295	K	48.8	Very low	61	Low	97 Å²	97	86.5 Å²	86.5	42%	0.422	53%	0.525	S	S	.	.	S	Bend	trans	-127.4	143	164.6	-76.2	-170.5	172.7	-170.5	0	109.4	T293 S297 D309	T293-K295 VanDerWaalsContact C-N 3.25Å; T293-K295 PolarHBondContact O-N 2.88Å; K295-S297 PolarHBondContact O-N 2.95Å; K295-D309 WeakPolarHBondContact CD-O 3.22Å; K295-D309 PolarHBondContact NZ-O 2.89Å; K295-D309 IonicContact NZ-OD1 3.13Å; K295-D309 PolarHBondContact NZ-OD1 3.41Å
296	P	51.8	Low	63.5	Low	115 Å²	115	79.8 Å²	79.8	75%	0.747	48%	0.484	S	S	*	.			trans	-62.7	127.3	174.3	26.1	-33.1	0	0	0	110.3	G298	P296-G298 PolarHBondContact O-N 2.89Å
297	S	68.4	Low	66.5	Low	100 Å²	100	78.3 Å²	78.3	70%	0.699	46%	0.459	S	S	*	.			trans	-73	68.1	-177.5	-53.3	0	0	0	0	112.8	K295	K295-S297 PolarHBondContact O-N 2.95Å
298	G	67.8	Low	68.9	Low	27 Å²	27	79.2 Å²	79.2	28%	0.278	46%	0.456	S	S	.	.			trans	75.5	-172.4	176.4	0	0	0	0	0	114.6	P296 F300	P296-G298 PolarHBondContact O-N 2.89Å; G298-F300 VanDerWaalsContact CA-CE2 3.5Å
299	P	88.4	Confident	71.7	Confident	66 Å²	66	73.1 Å²	73.1	43%	0.429	43%	0.43	S	S	.	.			cis	-75.2	143.7	8.4	32.1	-37.6	0	0	0	114	L318 K320 L327	P299-L318 WeakPolarHBondContact CA-O 3.4Å; P299-L318 HydrophobicContact CB-CD2 4.47Å; P299-K320 HydrophobicContact CB-CB 3.75Å; P299-K320 HydrophobicContact CG-CB 4.09Å; P299-L327 HydrophobicContact CB-CD2 3.54Å; P299-L327 HydrophobicContact CG-CD2 3.87Å
300	F	93.2	Very high	74.5	Confident	9 Å²	9	69.9 Å²	69.9	4%	0.039	42%	0.415	C	S	.	.	B	Isolated β-bridge	trans	-97.6	159.1	174.8	-51.3	-81.1	0	0	0	110.8	G298 D302 Q305 A306 D309 H311 Y317 L318 V319 K320	G298-F300 VanDerWaalsContact CA-CE2 3.5Å; F300-D302 VanDerWaalsContact C-N 3.29Å; F300-D302 WeakPolarHBondContact CB-O 3.29Å; F300-D302 PolarHBondContact O-N 2.94Å; F300-Q305 HydrophobicContact CB-CB 4.41Å; F300-Q305 HydrophobicContact CD1-CG 4.41Å; F300-A306 HydrophobicContact CB-CB 4.31Å; F300-A306 HydrophobicContact CD1-CB 4.02Å; F300-A306 HydrophobicContact CD2-CB 3.75Å; F300-A306 HydrophobicContact CE1-CB 4.29Å; F300-A306 HydrophobicContact CE2-CB 4.05Å; F300-A306 HydrophobicContact CG-CB 3.75Å; F300-A306 HydrophobicContact CZ-CB 4.31Å; F300-D309 HydrophobicContact CE1-CB 4.14Å; F300-H311 AromaticContact CE1-CE1 3.85Å; F300-H311 AromaticContact CZ-CE1 3.42Å; F300-H311 VanDerWaalsContact CZ-CE1 3.42Å; F300-H311 WeakPolarHBondContact CZ-CE1 3.44Å; F300-H311 AromaticContact CZ-ND1 3.74Å; F300-H311 AromaticContact CZ-NE2 3.92Å; F300-Y317 HydrophobicContact CD2-CD1 4.28Å; F300-Y317 AromaticContact CE2-CD1 3.95Å; F300-Y317 HydrophobicContact CE2-CD1 3.95Å; F300-L318 PolarHBondContact N-O 2.83Å; F300-L318 VanDerWaalsContact N-O 3.13Å; F300-V319 CarbonylContact O-C 3.47Å; F300-V319 WeakPolarHBondContact O-CA 3.46Å; F300-K320 PolarHBondContact O-N 3.13Å
301	R	93.7	Very high	77	Confident	84 Å²	84	65.7 Å²	65.7	32%	0.317	39%	0.385	S	S	.	.	S	Bend	trans	-67.9	-31.6	175.2	97.4	-176.8	101.9	-140.7	5.1	112.7	Q305 V319 E322 Q385	R301-Q305 HydrophobicContact CG-CB 4.43Å; R301-V319 WeakPolarHBondContact O-CG1 3.38Å; R301-E322 HydrophobicContact CB-CG 4.26Å; R301-E322 WeakPolarHBondContact CD-OE1 3.18Å; R301-E322 IonicContact CZ-OE1 3.18Å; R301-E322 IonicContact NE-OE1 3.74Å; R301-E322 IonicContact NH1-OE1 2.65Å; R301-E322 PolarHBondContact NH1-OE1 2.89Å; R301-Q385 PolarHBondContact O-NE2 2.76Å
302	D	95.1	Very high	79.8	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.011	38%	0.381	C	S	.	.	S	Bend	trans	-165.8	180	-177.5	59.6	44.3	0	0	0	109.9	F300 L304 Q305 A306 Y388 P512	F300-D302 VanDerWaalsContact C-N 3.29Å; F300-D302 WeakPolarHBondContact CB-O 3.29Å; F300-D302 PolarHBondContact O-N 2.94Å; D302-L304 VanDerWaalsContact C-N 3.33Å; D302-L304 PolarHBondContact O-N 2.65Å; D302-L304 WeakPolarHBondContact OD1-CA 3.41Å; D302-L304 WeakPolarHBondContact OD1-CB 3.28Å; D302-L304 PolarHBondContact OD1-N 2.9Å; D302-Q305 PolarHBondContact OD1-N 3.02Å; D302-A306 PolarHBondContact O-N 2.79Å; D302-Y388 PolarHBondContact OD2-OH 2.66Å; D302-P512 WeakPolarHBondContact OD2-CG 3.41Å
303	C	96.3	Very high	82.2	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-71.4	-20.6	177.8	-68.2	0	0	0	0	114.9	L307 C332 Q334 T342	C303-L307 PolarHBondContact O-N 2.91Å; C303-C332 VanDerWaalsContact CA-SG 3.53Å; C303-C332 HydrophobicContact CB-CB 3.58Å; C303-C332 WeakPolarHBondContact CB-SG 3.38Å; C303-C332 WeakPolarHBondContact SG-CA 3.2Å; C303-C332 WeakPolarHBondContact SG-CB 3.35Å; C303-C332 CovalentContact SG-SG 2.02Å; C303-C332 PolarHBondContact SG-SG 2.98Å; C303-Q334 PolarHBondContact O-NE2 3.12Å; C303-Q334 PolarHBondContact O-OE1 3.2Å; C303-T342 WeakPolarHBondContact CB-OG1 3.37Å; C303-T342 PolarHBondContact N-OG1 2.72Å; C303-T342 VanDerWaalsContact SG-CA 3.55Å; C303-T342 PolarHBondContact SG-OG1 3.44Å; C303-T342 VanDerWaalsContact SG-OG1 3.35Å
304	L	95.9	Very high	84.9	Confident	20 Å²	20	59 Å²	59	11%	0.105	34%	0.343	C	S	.	.	H	α-helix	trans	-73.8	-43.3	177.5	179.6	62	0	0	0	110.3	D302 A306 L307 E308 G340 R511 P512	D302-L304 VanDerWaalsContact C-N 3.33Å; D302-L304 PolarHBondContact O-N 2.65Å; D302-L304 WeakPolarHBondContact OD1-CA 3.41Å; D302-L304 WeakPolarHBondContact OD1-CB 3.28Å; D302-L304 PolarHBondContact OD1-N 2.9Å; L304-A306 VanDerWaalsContact C-N 3.28Å; L304-A306 PolarHBondContact O-N 3.21Å; L304-L307 WeakPolarHBondContact O-CB 3.36Å; L304-L307 PolarHBondContact O-N 2.85Å; L304-L307 VanDerWaalsContact O-N 3.08Å; L304-E308 HydrophobicContact CG-CG 4.49Å; L304-E308 WeakPolarHBondContact O-CG 3.36Å; L304-E308 PolarHBondContact O-N 3.13Å; L304-G340 PolarHBondContact N-O 2.78Å; L304-R511 HydrophobicContact CD2-CG 4.38Å; L304-P512 HydrophobicContact CB-CG 4.29Å; L304-P512 HydrophobicContact CD2-CB 3.97Å; L304-P512 HydrophobicContact CD2-CG 3.86Å
305	Q	95.1	Very high	87.2	Confident	54 Å²	54	51.8 Å²	51.8	25%	0.252	31%	0.308	S	S	.	.	H	α-helix	trans	-59.8	-40.2	173	-173.8	-177	8.2	0	0	111.4	F300 R301 D302 L307 E308 D309	F300-Q305 HydrophobicContact CB-CB 4.41Å; F300-Q305 HydrophobicContact CD1-CG 4.41Å; R301-Q305 HydrophobicContact CG-CB 4.43Å; D302-Q305 PolarHBondContact OD1-N 3.02Å; Q305-L307 VanDerWaalsContact C-N 3.28Å; Q305-L307 PolarHBondContact O-N 2.99Å; Q305-E308 PolarHBondContact O-N 3.33Å; Q305-D309 WeakPolarHBondContact O-CB 3.36Å; Q305-D309 PolarHBondContact O-N 2.76Å
306	A	94.5	Very high	89.3	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58.9	-41	175.1	0	0	0	0	0	111.9	F300 D302 L304 D309 G310 H311 Y317	F300-A306 HydrophobicContact CB-CB 4.31Å; F300-A306 HydrophobicContact CD1-CB 4.02Å; F300-A306 HydrophobicContact CD2-CB 3.75Å; F300-A306 HydrophobicContact CE1-CB 4.29Å; F300-A306 HydrophobicContact CE2-CB 4.05Å; F300-A306 HydrophobicContact CG-CB 3.75Å; F300-A306 HydrophobicContact CZ-CB 4.31Å; D302-A306 PolarHBondContact O-N 2.79Å; L304-A306 VanDerWaalsContact C-N 3.28Å; L304-A306 PolarHBondContact O-N 3.21Å; A306-D309 PolarHBondContact O-N 3.33Å; A306-G310 PolarHBondContact O-N 3.27Å; A306-H311 HydrophobicContact CB-CB 4.44Å; A306-H311 WeakPolarHBondContact O-CB 3.31Å; A306-H311 PolarHBondContact O-N 3.05Å; A306-H311 PolarHBondContact O-ND1 3.32Å; A306-Y317 HydrophobicContact CB-CD1 4.04Å; A306-Y317 HydrophobicContact CB-CE1 4.28Å
307	L	95.1	Very high	91.3	Very high	39 Å²	39	47.4 Å²	47.4	20%	0.204	28%	0.28	C	S	.	.	H	α-helix	trans	-67	-44.7	176.2	-177.4	61.9	0	0	0	112.3	C303 L304 Q305 D309 G310 T312 Q334	C303-L307 PolarHBondContact O-N 2.91Å; L304-L307 WeakPolarHBondContact O-CB 3.36Å; L304-L307 PolarHBondContact O-N 2.85Å; L304-L307 VanDerWaalsContact O-N 3.08Å; Q305-L307 VanDerWaalsContact C-N 3.28Å; Q305-L307 PolarHBondContact O-N 2.99Å; L307-D309 PolarHBondContact O-N 3.49Å; L307-G310 WeakPolarHBondContact O-CA 3.41Å; L307-G310 PolarHBondContact O-N 3.07Å; L307-T312 HydrophobicContact CD1-CG2 3.99Å; L307-Q334 HydrophobicContact CD1-CB 4.28Å
308	E	94.4	Very high	92.5	Very high	130 Å²	130	45.9 Å²	45.9	61%	0.607	26%	0.263	S	S	*	.	H	α-helix	trans	-59.7	-35.8	174.9	-70.4	171.1	166.9	0	0	111.6	L304 Q305 G310	L304-E308 HydrophobicContact CG-CG 4.49Å; L304-E308 WeakPolarHBondContact O-CG 3.36Å; L304-E308 PolarHBondContact O-N 3.13Å; Q305-E308 PolarHBondContact O-N 3.33Å; E308-G310 PolarHBondContact O-N 2.92Å
309	D	93.8	Very high	93.7	Very high	57 Å²	57	44.6 Å²	44.6	31%	0.305	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-6.5	173	-94.3	-43.7	0	0	0	114.3	K295 F300 Q305 A306 L307	K295-D309 WeakPolarHBondContact CD-O 3.22Å; K295-D309 PolarHBondContact NZ-O 2.89Å; K295-D309 IonicContact NZ-OD1 3.13Å; K295-D309 PolarHBondContact NZ-OD1 3.41Å; F300-D309 HydrophobicContact CE1-CB 4.14Å; Q305-D309 WeakPolarHBondContact O-CB 3.36Å; Q305-D309 PolarHBondContact O-N 2.76Å; A306-D309 PolarHBondContact O-N 3.33Å; L307-D309 PolarHBondContact O-N 3.49Å
310	G	93.1	Very high	94	Very high	49 Å²	49	45.7 Å²	45.7	51%	0.505	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	107.2	2.9	175.5	0	0	0	0	0	115.1	A306 L307 E308 T312	A306-G310 PolarHBondContact O-N 3.27Å; L307-G310 WeakPolarHBondContact O-CA 3.41Å; L307-G310 PolarHBondContact O-N 3.07Å; E308-G310 PolarHBondContact O-N 2.92Å; G310-T312 PolarHBondContact O-N 2.97Å; G310-T312 VanDerWaalsContact O-N 3.09Å
311	H	92.9	Very high	93.9	Very high	30 Å²	30	45.2 Å²	45.2	14%	0.139	25%	0.246	C	C	.	.			trans	-82.9	88.6	-178.4	-55.4	82.8	0	0	0	111	F300 A306 Y317 Q334	F300-H311 AromaticContact CE1-CE1 3.85Å; F300-H311 AromaticContact CZ-CE1 3.42Å; F300-H311 VanDerWaalsContact CZ-CE1 3.42Å; F300-H311 WeakPolarHBondContact CZ-CE1 3.44Å; F300-H311 AromaticContact CZ-ND1 3.74Å; F300-H311 AromaticContact CZ-NE2 3.92Å; A306-H311 HydrophobicContact CB-CB 4.44Å; A306-H311 WeakPolarHBondContact O-CB 3.31Å; A306-H311 PolarHBondContact O-N 3.05Å; A306-H311 PolarHBondContact O-ND1 3.32Å; H311-Y317 HydrophobicContact CB-CE1 3.67Å; H311-Y317 AromaticContact CG-CE1 3.97Å; H311-Q334 WeakPolarHBondContact O-CG 3.4Å; H311-Q334 PolarHBondContact O-NE2 2.92Å
312	T	93	Very high	93.5	Very high	99 Å²	99	46.8 Å²	46.8	61%	0.607	26%	0.257	S	S	*	.			trans	-88.9	-2.3	-174.6	55.8	0	0	0	0	115	L307 G310 Q334	L307-T312 HydrophobicContact CD1-CG2 3.99Å; G310-T312 PolarHBondContact O-N 2.97Å; G310-T312 VanDerWaalsContact O-N 3.09Å; T312-Q334 WeakPolarHBondContact O-CB 3.4Å
313	S	92.8	Very high	92.9	Very high	64 Å²	64	51.9 Å²	51.9	45%	0.448	28%	0.284	S	S	.	.	S	Bend	trans	-86.2	123.9	177.6	49.7	0	0	0	0	112.2	Y317 Q334	S313-Y317 WeakPolarHBondContact O-CE2 3.3Å; S313-Y317 PolarHBondContact O-OH 3.3Å; S313-Y317 PolarHBondContact OG-OH 2.9Å; S313-Q334 WeakPolarHBondContact O-CG 3.33Å
314	S	94.6	Very high	92.1	Very high	31 Å²	31	52 Å²	52	22%	0.217	29%	0.285	C	S	.	.			trans	-66.1	137.5	166.7	-49.4	0	0	0	0	110.6	C332 D333 Q334 R335	S314-C332 CarbonylContact C-O 3.59Å; S314-C332 WeakPolarHBondContact CA-O 3.16Å; S314-C332 WeakPolarHBondContact CB-O 3.47Å; S314-D333 PolarHBondContact OG-OD1 2.86Å; S314-Q334 PolarHBondContact OG-N 3.13Å; S314-R335 WeakPolarHBondContact OG-CG 3.27Å; S314-R335 PolarHBondContact OG-N 2.99Å
315	G	93.1	Very high	91.2	Very high	14 Å²	14	59.1 Å²	59.1	14%	0.144	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.9	-165.4	-175.2	0	0	0	0	0	113	Y317 W331 C332	G315-Y317 WeakPolarHBondContact O-CD2 3.36Å; G315-W331 WeakPolarHBondContact O-CA 3.4Å; G315-C332 PolarHBondContact N-O 2.97Å; G315-C332 PolarHBondContact O-N 3.16Å
316	M	93.4	Very high	90.6	Very high	92 Å²	92	61 Å²	61	45%	0.453	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	132	175.3	-69.8	-167.8	-75.6	0	0	112.4	V330 W331 I368 D369	M316-V330 WeakPolarHBondContact CA-O 3.24Å; M316-W331 HydrophobicContact CG-CE3 4.39Å; M316-I368 HydrophobicContact CG-CB 4.36Å; M316-I368 HydrophobicContact CG-CG2 3.76Å; M316-I368 HydrophobicContact SD-CB 4.07Å; M316-I368 HydrophobicContact SD-CG2 4.12Å; M316-D369 WeakPolarHBondContact CE-OD2 3.41Å; M316-D369 WeakPolarHBondContact CG-OD1 3.29Å
317	Y	92.4	Very high	90.3	Very high	29 Å²	29	65.7 Å²	65.7	11%	0.114	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	152.8	175.7	-73.7	-97.8	0	0	0	111.3	F300 A306 H311 S313 G315 Q329 V330 C332	F300-Y317 HydrophobicContact CD2-CD1 4.28Å; F300-Y317 AromaticContact CE2-CD1 3.95Å; F300-Y317 HydrophobicContact CE2-CD1 3.95Å; A306-Y317 HydrophobicContact CB-CD1 4.04Å; A306-Y317 HydrophobicContact CB-CE1 4.28Å; H311-Y317 HydrophobicContact CB-CE1 3.67Å; H311-Y317 AromaticContact CG-CE1 3.97Å; S313-Y317 WeakPolarHBondContact O-CE2 3.3Å; S313-Y317 PolarHBondContact O-OH 3.3Å; S313-Y317 PolarHBondContact OG-OH 2.9Å; G315-Y317 WeakPolarHBondContact O-CD2 3.36Å; Y317-Q329 WeakPolarHBondContact O-CA 3.49Å; Y317-V330 PolarHBondContact N-O 2.58Å; Y317-V330 PolarHBondContact O-N 2.77Å; Y317-C332 VanDerWaalsContact CB-SG 3.55Å; Y317-C332 HydrophobicContact CD2-CB 3.53Å; Y317-C332 WeakPolarHBondContact CD2-SG 3.45Å; Y317-C332 HydrophobicContact CE2-CB 3.99Å; Y317-C332 HydrophobicContact CG-CB 4.29Å
318	L	93.3	Very high	90.2	Very high	67 Å²	67	64.2 Å²	64.2	35%	0.351	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	120.4	174.1	-161.4	74.3	0	0	0	109.6	P299 F300 L327 Q329	P299-L318 WeakPolarHBondContact CA-O 3.4Å; P299-L318 HydrophobicContact CB-CD2 4.47Å; F300-L318 PolarHBondContact N-O 2.83Å; F300-L318 VanDerWaalsContact N-O 3.13Å; L318-L327 HydrophobicContact CD2-CD2 3.88Å; L318-L327 HydrophobicContact CG-CD2 3.98Å; L318-Q329 HydrophobicContact CD1-CG 3.92Å
319	V	93.6	Very high	90.1	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.5	-176.9	164	0	0	0	0	110.8	F300 R301 M328 V330 L382	F300-V319 CarbonylContact O-C 3.47Å; F300-V319 WeakPolarHBondContact O-CA 3.46Å; R301-V319 WeakPolarHBondContact O-CG1 3.38Å; V319-M328 HydrophobicContact CB-CG 4.1Å; V319-M328 HydrophobicContact CG1-CG 4.15Å; V319-M328 HydrophobicContact CG1-SD 4.4Å; V319-M328 PolarHBondContact N-O 3.14Å; V319-M328 WeakPolarHBondContact O-CG 3.34Å; V319-M328 PolarHBondContact O-N 2.9Å; V319-V330 HydrophobicContact CB-CG2 4.09Å; V319-V330 HydrophobicContact CG2-CG2 3.54Å; V319-L382 HydrophobicContact CG1-CD2 3.92Å
320	K	94.1	Very high	90.2	Very high	89 Å²	89	60.9 Å²	60.9	39%	0.387	33%	0.327	S	S	.	.			trans	-135.3	102.7	173	-175	-171.8	174.9	-171.5	0	108.5	P299 F300 A324 L327	P299-K320 HydrophobicContact CB-CB 3.75Å; P299-K320 HydrophobicContact CG-CB 4.09Å; F300-K320 PolarHBondContact O-N 3.13Å; K320-A324 WeakPolarHBondContact CE-O 3.26Å; K320-L327 HydrophobicContact CB-CD2 3.91Å; K320-L327 HydrophobicContact CG-CD2 4.49Å
321	P	91.4	Very high	90.3	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.314	C	S	.	.			trans	-59	145.7	174.8	-22.5	33.2	0	0	0	111.7	N323 A324 M328 W381 L382	P321-N323 VanDerWaalsContact C-N 3.3Å; P321-N323 PolarHBondContact O-N 3.05Å; P321-A324 HydrophobicContact CB-CB 3.96Å; P321-A324 HydrophobicContact CG-CB 4.24Å; P321-A324 PolarHBondContact O-N 3.35Å; P321-M328 HydrophobicContact CG-CE 3.65Å; P321-M328 HydrophobicContact CG-SD 4.37Å; P321-W381 HydrophobicContact CB-CB 4.11Å; P321-W381 HydrophobicContact CG-CB 4.03Å; P321-L382 HydrophobicContact CG-CD2 3.92Å; P321-L382 HydrophobicContact CG-CG 4.08Å
322	E	85.7	Confident	90.5	Very high	117 Å²	117	60 Å²	60	55%	0.547	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-41.3	-170.1	-66	179.8	-175.8	0	0	112.8	R301 A324	R301-E322 HydrophobicContact CB-CG 4.26Å; R301-E322 WeakPolarHBondContact CD-OE1 3.18Å; R301-E322 IonicContact CZ-OE1 3.18Å; R301-E322 IonicContact NE-OE1 3.74Å; R301-E322 IonicContact NH1-OE1 2.65Å; R301-E322 PolarHBondContact NH1-OE1 2.89Å; E322-A324 VanDerWaalsContact C-N 3.35Å
323	N	81.6	Confident	90.7	Very high	109 Å²	109	56.9 Å²	56.9	58%	0.583	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	4.5	-179.3	-64.9	-38.3	0	0	0	113.9	P321 W381	P321-N323 VanDerWaalsContact C-N 3.3Å; P321-N323 PolarHBondContact O-N 3.05Å; N323-W381 HydrophobicContact CB-CE3 4.22Å; N323-W381 HydrophobicContact CB-CZ3 4.11Å; N323-W381 WeakPolarHBondContact O-CZ3 3.37Å
324	A	81.1	Confident	90.8	Very high	3 Å²	3	54.5 Å²	54.5	3%	0.025	27%	0.269	C	S	.	.			trans	-114.9	128.5	-174.8	0	0	0	0	0	112.6	K320 P321 E322 R326 W381	K320-A324 WeakPolarHBondContact CE-O 3.26Å; P321-A324 HydrophobicContact CB-CB 3.96Å; P321-A324 HydrophobicContact CG-CB 4.24Å; P321-A324 PolarHBondContact O-N 3.35Å; E322-A324 VanDerWaalsContact C-N 3.35Å; A324-R326 PolarHBondContact O-N 3.5Å; A324-R326 VanDerWaalsContact O-N 3.15Å; A324-W381 HydrophobicContact CB-CB 3.95Å; A324-W381 HydrophobicContact CB-CD2 3.86Å; A324-W381 HydrophobicContact CB-CE3 4.1Å; A324-W381 HydrophobicContact CB-CG 3.77Å
325	N	76.8	Confident	90.6	Very high	169 Å²	169	62.8 Å²	62.8	90%	0.904	30%	0.296	S	S	*	.	S	Bend	trans	-77.7	14.2	168.7	-75.5	-27.4	0	0	0	113.4
326	R	81.1	Confident	90.3	Very high	94 Å²	94	65.5 Å²	65.5	36%	0.355	30%	0.304	S	S	.	.			trans	-112.9	125.8	-175.6	-170	174.4	-172.8	164.5	2.1	111.1	A324	A324-R326 PolarHBondContact O-N 3.5Å; A324-R326 VanDerWaalsContact O-N 3.15Å
327	L	90.1	Very high	90.1	Very high	97 Å²	97	67.9 Å²	67.9	51%	0.508	32%	0.319	S	S	.	.			trans	-82	137.2	166.3	-73	152.2	0	0	0	109.3	P299 L318 K320	P299-L327 HydrophobicContact CB-CD2 3.54Å; P299-L327 HydrophobicContact CG-CD2 3.87Å; L318-L327 HydrophobicContact CD2-CD2 3.88Å; L318-L327 HydrophobicContact CG-CD2 3.98Å; K320-L327 HydrophobicContact CB-CD2 3.91Å; K320-L327 HydrophobicContact CG-CD2 4.49Å
328	M	91.3	Very high	90	Very high	9 Å²	9	69.1 Å²	69.1	4%	0.044	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	146.6	175.8	60.6	-174.2	72.6	0	0	110.1	V319 P321 V330 N378 L382	V319-M328 HydrophobicContact CB-CG 4.1Å; V319-M328 HydrophobicContact CG1-CG 4.15Å; V319-M328 HydrophobicContact CG1-SD 4.4Å; V319-M328 PolarHBondContact N-O 3.14Å; V319-M328 WeakPolarHBondContact O-CG 3.34Å; V319-M328 PolarHBondContact O-N 2.9Å; P321-M328 HydrophobicContact CG-CE 3.65Å; P321-M328 HydrophobicContact CG-SD 4.37Å; M328-V330 HydrophobicContact CG-CG1 4.16Å; M328-V330 HydrophobicContact SD-CG1 4.32Å; M328-N378 HydrophobicContact CE-CB 3.67Å; M328-N378 HydrophobicContact SD-CB 3.85Å; M328-L382 HydrophobicContact SD-CD1 3.77Å; M328-L382 HydrophobicContact SD-CD2 4.44Å; M328-L382 HydrophobicContact SD-CG 4.01Å
329	Q	92.5	Very high	90	Very high	116 Å²	116	66 Å²	66	54%	0.542	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	137.1	168.5	-68.8	172.6	59.2	0	0	107.9	Y317 L318 I368	Y317-Q329 WeakPolarHBondContact O-CA 3.49Å; L318-Q329 HydrophobicContact CD1-CG 3.92Å; Q329-I368 HydrophobicContact CB-CD1 3.34Å; Q329-I368 WeakPolarHBondContact O-CD1 3.34Å
330	V	95.8	Very high	90.2	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.6	-179.9	-64	0	0	0	0	110.2	M316 Y317 V319 M328 T342 L374	M316-V330 WeakPolarHBondContact CA-O 3.24Å; Y317-V330 PolarHBondContact N-O 2.58Å; Y317-V330 PolarHBondContact O-N 2.77Å; V319-V330 HydrophobicContact CB-CG2 4.09Å; V319-V330 HydrophobicContact CG2-CG2 3.54Å; M328-V330 HydrophobicContact CG-CG1 4.16Å; M328-V330 HydrophobicContact SD-CG1 4.32Å; V330-T342 HydrophobicContact CB-CG2 4.01Å; V330-T342 HydrophobicContact CG1-CG2 3.92Å; V330-T342 HydrophobicContact CG2-CG2 4.18Å; V330-L374 HydrophobicContact CG1-CD1 3.84Å; V330-L374 HydrophobicContact CG1-CD2 4.01Å
331	W	96.4	Very high	90.3	Very high	60 Å²	60	61.8 Å²	61.8	23%	0.227	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	119.5	163.8	-175.4	-80.3	0	0	0	109.2	G315 M316 V343 I368 D369 Y372	G315-W331 WeakPolarHBondContact O-CA 3.4Å; M316-W331 HydrophobicContact CG-CE3 4.39Å; W331-V343 HydrophobicContact CB-CB 4.28Å; W331-V343 WeakPolarHBondContact O-CB 3.48Å; W331-V343 PolarHBondContact O-N 2.83Å; W331-I368 HydrophobicContact CB-CG2 3.94Å; W331-D369 WeakPolarHBondContact CZ3-OD1 3.33Å; W331-Y372 HydrophobicContact CB-CE1 4.24Å; W331-Y372 WeakPolarHBondContact CB-OH 3.37Å; W331-Y372 PolarHBondContact N-OH 2.62Å
332	C	96.6	Very high	90.7	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	128	170.2	-62.2	0	0	0	0	110.1	C303 S314 G315 Y317 Q334 W341	C303-C332 VanDerWaalsContact CA-SG 3.53Å; C303-C332 HydrophobicContact CB-CB 3.58Å; C303-C332 WeakPolarHBondContact CB-SG 3.38Å; C303-C332 WeakPolarHBondContact SG-CA 3.2Å; C303-C332 WeakPolarHBondContact SG-CB 3.35Å; C303-C332 CovalentContact SG-SG 2.02Å; C303-C332 PolarHBondContact SG-SG 2.98Å; S314-C332 CarbonylContact C-O 3.59Å; S314-C332 WeakPolarHBondContact CA-O 3.16Å; S314-C332 WeakPolarHBondContact CB-O 3.47Å; G315-C332 PolarHBondContact N-O 2.97Å; G315-C332 PolarHBondContact O-N 3.16Å; Y317-C332 VanDerWaalsContact CB-SG 3.55Å; Y317-C332 HydrophobicContact CD2-CB 3.53Å; Y317-C332 WeakPolarHBondContact CD2-SG 3.45Å; Y317-C332 HydrophobicContact CE2-CB 3.99Å; Y317-C332 HydrophobicContact CG-CB 4.29Å; C332-Q334 HydrophobicContact CB-CG 4.25Å; C332-W341 CarbonylContact C-O 3.57Å; C332-W341 WeakPolarHBondContact CA-O 3.42Å
333	D	96.9	Very high	91.3	Very high	35 Å²	35	56.3 Å²	56.3	19%	0.187	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	106.2	162.3	-158.7	-18.3	0	0	0	110.6	S314 R335 Q336 G340 W341	S314-D333 PolarHBondContact OG-OD1 2.86Å; D333-R335 PolarHBondContact OD1-N 3.31Å; D333-Q336 PolarHBondContact OD1-N 3.19Å; D333-G340 PolarHBondContact O-N 3.1Å; D333-W341 HydrophobicContact CB-CB 4.24Å; D333-W341 PolarHBondContact N-O 3.46Å; D333-W341 PolarHBondContact O-N 2.95Å; D333-W341 VanDerWaalsContact O-N 3.09Å
334	Q	94.8	Very high	92.1	Very high	14 Å²	14	51.1 Å²	51.1	7%	0.065	24%	0.243	C	C	.	.			trans	-95.6	-6.3	179.1	-52.8	-59.9	28.7	0	0	112.7	C303 L307 H311 T312 S313 S314 C332	C303-Q334 PolarHBondContact O-NE2 3.12Å; C303-Q334 PolarHBondContact O-OE1 3.2Å; L307-Q334 HydrophobicContact CD1-CB 4.28Å; H311-Q334 WeakPolarHBondContact O-CG 3.4Å; H311-Q334 PolarHBondContact O-NE2 2.92Å; T312-Q334 WeakPolarHBondContact O-CB 3.4Å; S313-Q334 WeakPolarHBondContact O-CG 3.33Å; S314-Q334 PolarHBondContact OG-N 3.13Å; C332-Q334 HydrophobicContact CB-CG 4.25Å
335	R	90.9	Very high	92.9	Very high	204 Å²	204	51 Å²	51	77%	0.77	24%	0.242	S	C	*	.	S	Bend	trans	-103.5	-31.2	-174.6	-68.3	179.9	-179.6	-154	3.1	113.5	S314 D333 D337	S314-R335 WeakPolarHBondContact OG-CG 3.27Å; S314-R335 PolarHBondContact OG-N 2.99Å; D333-R335 PolarHBondContact OD1-N 3.31Å; R335-D337 PolarHBondContact O-N 3.26Å
336	Q	87.4	Confident	93.9	Very high	71 Å²	71	44.4 Å²	44.4	33%	0.332	21%	0.205	S	C	.	.	S	Bend	trans	-73.2	107.9	175.6	179.2	160	-2.4	0	0	109.9	D333 G339 W341 M509	D333-Q336 PolarHBondContact OD1-N 3.19Å; Q336-G339 WeakPolarHBondContact O-CA 3.35Å; Q336-G339 PolarHBondContact O-N 3.39Å; Q336-W341 PolarHBondContact O-NE1 3.36Å; Q336-W341 VanDerWaalsContact O-NE1 3.12Å; Q336-M509 VanDerWaalsContact OE1-CE 3.24Å
337	D	87.6	Confident	94.8	Very high	143 Å²	143	40.2 Å²	40.2	77%	0.765	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-43.5	132	179.7	-175.6	68.6	0	0	0	112.2	R335	R335-D337 PolarHBondContact O-N 3.26Å
338	P	91.4	Very high	95	Very high	54 Å²	54	38.2 Å²	38.2	35%	0.351	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	cis	-88	21.6	2.1	37.4	-39.6	0	0	0	115.4	R511	P338-R511 VanDerWaalsContact CG-CZ 3.46Å
339	G	93.7	Very high	95.2	Very high	2 Å²	2	41.4 Å²	41.4	2%	0.021	20%	0.196	C	C	.	.			trans	69.6	178.4	-175.1	0	0	0	0	0	113.6	Q336 R511	Q336-G339 WeakPolarHBondContact O-CA 3.35Å; Q336-G339 PolarHBondContact O-N 3.39Å; G339-R511 WeakPolarHBondContact O-CD 3.43Å; G339-R511 PolarHBondContact O-NE 3.29Å
340	G	96.3	Very high	95.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.			trans	78.1	23.8	177.8	0	0	0	0	0	114	L304 D333	L304-G340 PolarHBondContact N-O 2.78Å; D333-G340 PolarHBondContact O-N 3.1Å
341	W	98	Very high	95.2	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	120.6	-176.5	-68.2	105.6	0	0	0	111.9	C332 D333 Q336 K389 L391 M509 R511	C332-W341 CarbonylContact C-O 3.57Å; C332-W341 WeakPolarHBondContact CA-O 3.42Å; D333-W341 HydrophobicContact CB-CB 4.24Å; D333-W341 PolarHBondContact N-O 3.46Å; D333-W341 PolarHBondContact O-N 2.95Å; D333-W341 VanDerWaalsContact O-N 3.09Å; Q336-W341 PolarHBondContact O-NE1 3.36Å; Q336-W341 VanDerWaalsContact O-NE1 3.12Å; W341-K389 HydrophobicContact CH2-CD 4.15Å; W341-K389 VanDerWaalsContact CH2-CE 3.49Å; W341-K389 HydrophobicContact CH2-CG 4.14Å; W341-K389 HydrophobicContact CZ3-CG 4.25Å; W341-L391 HydrophobicContact CD2-CD2 4.47Å; W341-L391 HydrophobicContact CE3-CB 4.17Å; W341-L391 HydrophobicContact CH2-CB 3.42Å; W341-L391 VanDerWaalsContact CH2-CB 3.42Å; W341-L391 HydrophobicContact CH2-CD2 3.73Å; W341-L391 HydrophobicContact CH2-CG 4.21Å; W341-L391 HydrophobicContact CZ2-CB 4.09Å; W341-L391 HydrophobicContact CZ2-CD2 3.48Å; W341-L391 VanDerWaalsContact CZ2-CD2 3.48Å; W341-L391 HydrophobicContact CZ2-CG 4.44Å; W341-L391 HydrophobicContact CZ3-CB 3.47Å; W341-L391 VanDerWaalsContact CZ3-CB 3.47Å; W341-L391 HydrophobicContact CZ3-CD2 4.33Å; W341-M509 HydrophobicContact CB-CB 4.18Å; W341-M509 HydrophobicContact CB-CG 4.07Å; W341-M509 HydrophobicContact CB-SD 3.8Å; W341-M509 HydrophobicContact CD2-CG 4.06Å; W341-M509 HydrophobicContact CD2-SD 4.33Å; W341-M509 HydrophobicContact CE3-CB 4.31Å; W341-M509 HydrophobicContact CE3-CG 3.79Å; W341-M509 HydrophobicContact CG-CG 4.21Å; W341-M509 HydrophobicContact CG-SD 3.98Å; W341-R511 HydrophobicContact CD2-CB 4.05Å; W341-R511 HydrophobicContact CE3-CB 3.51Å; W341-R511 HydrophobicContact CH2-CB 4.24Å; W341-R511 HydrophobicContact CZ3-CB 3.61Å
342	T	98.1	Very high	95.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	110.7	170.5	-51.8	0	0	0	0	109.4	C303 V330 I344 L382 M509 I510	C303-T342 WeakPolarHBondContact CB-OG1 3.37Å; C303-T342 PolarHBondContact N-OG1 2.72Å; C303-T342 VanDerWaalsContact SG-CA 3.55Å; C303-T342 PolarHBondContact SG-OG1 3.44Å; C303-T342 VanDerWaalsContact SG-OG1 3.35Å; V330-T342 HydrophobicContact CB-CG2 4.01Å; V330-T342 HydrophobicContact CG1-CG2 3.92Å; V330-T342 HydrophobicContact CG2-CG2 4.18Å; T342-I344 PolarHBondContact O-N 3.31Å; T342-L382 HydrophobicContact CG2-CD1 4.09Å; T342-M509 CarbonylContact O-C 3.57Å; T342-M509 VanDerWaalsContact O-CA 3.24Å; T342-M509 WeakPolarHBondContact O-CA 3.38Å; T342-M509 WeakPolarHBondContact O-CB 3.38Å; T342-I510 PolarHBondContact N-O 2.81Å; T342-I510 PolarHBondContact O-N 2.93Å
343	V	98.4	Very high	95.2	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.012	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	125.7	178.4	177.4	0	0	0	0	110.2	W331 R346 Y372 V507 M509	W331-V343 HydrophobicContact CB-CB 4.28Å; W331-V343 WeakPolarHBondContact O-CB 3.48Å; W331-V343 PolarHBondContact O-N 2.83Å; V343-R346 HydrophobicContact CG1-CB 4.25Å; V343-Y372 VanDerWaalsContact CB-OH 3.26Å; V343-Y372 WeakPolarHBondContact CB-OH 3.36Å; V343-Y372 HydrophobicContact CG1-CE1 4.18Å; V343-Y372 WeakPolarHBondContact CG1-OH 3.45Å; V343-Y372 PolarHBondContact O-OH 3.15Å; V343-V507 HydrophobicContact CB-CG1 4.43Å; V343-V507 HydrophobicContact CG1-CG1 3.65Å; V343-V507 HydrophobicContact CG2-CG1 3.93Å; V343-M509 HydrophobicContact CB-CB 4.42Å; V343-M509 HydrophobicContact CG2-CB 4Å; V343-M509 HydrophobicContact CG2-SD 4.31Å
344	I	98.6	Very high	95.2	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-23	-177.5	64	167.7	0	0	0	113.4	T342 L374 I379 L390 F409 M508 I510	T342-I344 PolarHBondContact O-N 3.31Å; I344-L374 HydrophobicContact CB-CB 4.36Å; I344-L374 HydrophobicContact CB-CD2 4.37Å; I344-L374 HydrophobicContact CG2-CD2 3.9Å; I344-L374 WeakPolarHBondContact O-CB 3.36Å; I344-L374 PolarHBondContact O-N 3.46Å; I344-I379 HydrophobicContact CB-CD1 4.1Å; I344-I379 HydrophobicContact CB-CG1 4.07Å; I344-I379 HydrophobicContact CD1-CD1 4.33Å; I344-I379 HydrophobicContact CD1-CG2 4.35Å; I344-I379 HydrophobicContact CG2-CG1 4.17Å; I344-L390 HydrophobicContact CD1-CD1 4.31Å; I344-F409 HydrophobicContact CD1-CE1 3.82Å; I344-F409 HydrophobicContact CD1-CZ 3.87Å; I344-M508 HydrophobicContact CD1-CB 4.3Å; I344-M508 HydrophobicContact CG1-CB 3.82Å; I344-M508 WeakPolarHBondContact CG1-O 2.88Å; I344-M508 PolarHBondContact N-O 3.23Å; I344-I510 HydrophobicContact CD1-CG2 3.93Å; I344-I510 HydrophobicContact CG2-CD1 3.91Å; I344-I510 HydrophobicContact CG2-CG1 3.9Å; I344-I510 HydrophobicContact CG2-CG2 4.38Å
345	Q	98.6	Very high	95.4	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	141.6	175.5	-169.3	-95.9	31.7	0	0	109.6	F354 Y372 W373 L473 N474 M508	Q345-F354 HydrophobicContact CG-CE1 4.25Å; Q345-Y372 WeakPolarHBondContact CA-O 3.39Å; Q345-W373 HydrophobicContact CB-CE3 3.84Å; Q345-W373 HydrophobicContact CB-CZ3 4.04Å; Q345-W373 HydrophobicContact CG-CE3 3.67Å; Q345-W373 HydrophobicContact CG-CZ3 4.06Å; Q345-L473 PolarHBondContact NE2-O 2.95Å; Q345-N474 WeakPolarHBondContact CG-OD1 3.19Å; Q345-N474 PolarHBondContact NE2-OD1 3.41Å; Q345-M508 HydrophobicContact CB-CB 3.91Å; Q345-M508 HydrophobicContact CB-CG 4Å; Q345-M508 HydrophobicContact CB-SD 3.88Å; Q345-M508 HydrophobicContact CG-SD 4.24Å; Q345-M508 PolarHBondContact N-O 2.97Å; Q345-M508 PolarHBondContact O-N 3.5Å
346	R	98.4	Very high	95.7	Very high	30 Å²	30	39.5 Å²	39.5	11%	0.113	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	133.1	174.3	-164.8	163.8	62.6	-151.6	-2	113	V343 L348 I368 D369 G370 E371 Y372 V506 V507	V343-R346 HydrophobicContact CG1-CB 4.25Å; R346-L348 HydrophobicContact CG-CD2 3.87Å; R346-I368 PolarHBondContact NH2-O 3.46Å; R346-D369 PolarHBondContact NH2-O 3.47Å; R346-G370 VanDerWaalsContact CZ-O 3.28Å; R346-G370 PolarHBondContact NE-O 2.82Å; R346-G370 PolarHBondContact NH2-O 2.69Å; R346-E371 VanDerWaalsContact O-CA 3.27Å; R346-E371 WeakPolarHBondContact O-CA 3.33Å; R346-E371 WeakPolarHBondContact O-CB 3.37Å; R346-Y372 HydrophobicContact CB-CD1 4.35Å; R346-Y372 HydrophobicContact CB-CE1 4.39Å; R346-Y372 PolarHBondContact N-O 3.02Å; R346-Y372 PolarHBondContact O-N 2.79Å; R346-V506 CarbonylContact C-O 3.54Å; R346-V506 WeakPolarHBondContact CA-O 3.37Å; R346-V507 HydrophobicContact CG-CG2 4.19Å
347	R	98.3	Very high	96.2	Very high	6 Å²	6	39.2 Å²	39.2	2%	0.023	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	141.1	171.7	-46.4	-58.6	-63.8	-87.9	9.6	109.8	F354 E371 L473 G475 V491 K505 V506	R347-F354 VanDerWaalsContact CD-CE2 3.47Å; R347-E371 WeakPolarHBondContact CA-OE1 3.25Å; R347-E371 IonicContact NE-OE1 2.74Å; R347-E371 IonicContact NE-OE2 3.06Å; R347-L473 PolarHBondContact NH1-O 3.19Å; R347-G475 PolarHBondContact NH1-O 3.22Å; R347-G475 PolarHBondContact NH2-O 3.02Å; R347-V491 HydrophobicContact CG-CG1 4.37Å; R347-V491 VanDerWaalsContact NH1-CG2 3.3Å; R347-K505 VanDerWaalsContact O-CA 3.25Å; R347-K505 WeakPolarHBondContact O-CA 3.47Å; R347-V506 HydrophobicContact CB-CB 4.08Å; R347-V506 HydrophobicContact CG-CB 4.11Å; R347-V506 PolarHBondContact N-O 3.21Å; R347-V506 PolarHBondContact O-N 3.24Å
348	L	95.2	Very high	96.8	Very high	56 Å²	56	32.5 Å²	32.5	29%	0.293	18%	0.184	S	C	.	.	S	Bend	trans	-155.5	-32.9	-178.6	51	134.1	0	0	0	115.5	R346 E371 W477 K504 K505	R346-L348 HydrophobicContact CG-CD2 3.87Å; L348-E371 HydrophobicContact CD2-CB 4.42Å; L348-E371 HydrophobicContact CD2-CG 3.59Å; L348-E371 HydrophobicContact CG-CG 3.71Å; L348-E371 PolarHBondContact N-OE1 2.74Å; L348-W477 WeakPolarHBondContact O-CZ2 3.36Å; L348-K504 CarbonylContact C-O 3.56Å; L348-K505 HydrophobicContact CB-CG 4.42Å
349	D	94.4	Very high	97.1	Very high	76 Å²	76	33.9 Å²	33.9	41%	0.406	19%	0.185	S	C	.	.	S	Bend	trans	-146.1	-7	-166.9	64	3.6	0	0	0	114.8	A351 E371 W477	D349-A351 VanDerWaalsContact C-N 3.29Å; D349-A351 PolarHBondContact O-N 3.12Å; D349-A351 WeakPolarHBondContact OD1-CB 3.22Å; D349-A351 PolarHBondContact OD1-N 2.65Å; D349-E371 PolarHBondContact N-OE1 3.24Å; D349-E371 VanDerWaalsContact OD1-CD 3.3Å; D349-E371 WeakPolarHBondContact OD1-CG 3.47Å; D349-W477 WeakPolarHBondContact O-CH2 3.45Å; D349-W477 WeakPolarHBondContact O-CZ3 3.41Å
350	G	94.2	Very high	97.3	Very high	34 Å²	34	35.9 Å²	35.9	35%	0.351	20%	0.198	S	C	.	.	S	Bend	trans	72.5	15.5	-176.8	0	0	0	0	0	114.7	V352 E371	G350-V352 PolarHBondContact O-N 3.25Å; G350-E371 WeakPolarHBondContact CA-OE2 3.4Å; G350-E371 PolarHBondContact N-OE1 2.86Å
351	A	94.6	Very high	97.4	Very high	79 Å²	79	35.9 Å²	35.9	65%	0.653	20%	0.198	S	C	*	.			trans	-65.3	-24.1	179.4	0	0	0	0	0	113.3	D349 E371	D349-A351 VanDerWaalsContact C-N 3.29Å; D349-A351 PolarHBondContact O-N 3.12Å; D349-A351 WeakPolarHBondContact OD1-CB 3.22Å; D349-A351 PolarHBondContact OD1-N 2.65Å; A351-E371 PolarHBondContact N-OE2 2.84Å
352	V	96.8	Very high	97.4	Very high	26 Å²	26	37.5 Å²	37.5	16%	0.158	21%	0.205	C	C	.	.	S	Bend	trans	-110.3	130.1	-178.9	175.4	0	0	0	0	110.8	G350 F354 F365 E371	G350-V352 PolarHBondContact O-N 3.25Å; V352-F354 HydrophobicContact CB-CD2 4.43Å; V352-F354 HydrophobicContact CB-CE2 4Å; V352-F354 HydrophobicContact CG1-CD2 4.14Å; V352-F354 HydrophobicContact CG1-CE2 3.87Å; V352-F354 WeakPolarHBondContact O-CD2 3.48Å; V352-F354 PolarHBondContact O-N 2.92Å; V352-F365 HydrophobicContact CG1-CD2 3.71Å; V352-F365 HydrophobicContact CG1-CE2 3.88Å; V352-E371 HydrophobicContact CB-CB 3.88Å; V352-E371 HydrophobicContact CG2-CB 3.88Å; V352-E371 WeakPolarHBondContact CG2-O 3.45Å; V352-E371 PolarHBondContact N-OE2 3.47Å; V352-E371 VanDerWaalsContact N-OE2 3.13Å
353	N	96.4	Very high	97.4	Very high	82 Å²	82	40.8 Å²	40.8	44%	0.439	22%	0.22	S	C	.	.			trans	-75.5	121.1	170.9	174.1	28.1	0	0	0	110.5	F355 R356	N353-F355 PolarHBondContact ND2-O 2.76Å; N353-F355 WeakPolarHBondContact OD1-CB 3.35Å; N353-F355 PolarHBondContact OD1-N 3.44Å; N353-R356 WeakPolarHBondContact O-CG 3.33Å; N353-R356 PolarHBondContact O-NE 3.01Å
354	F	98.2	Very high	97.4	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.013	23%	0.232	C	C	.	.			trans	-95.9	-6.3	175.7	-79.8	-111.4	0	0	0	113.7	Q345 R347 V352 R356 Y361 F365 E371 W373 N474	Q345-F354 HydrophobicContact CG-CE1 4.25Å; R347-F354 VanDerWaalsContact CD-CE2 3.47Å; V352-F354 HydrophobicContact CB-CD2 4.43Å; V352-F354 HydrophobicContact CB-CE2 4Å; V352-F354 HydrophobicContact CG1-CD2 4.14Å; V352-F354 HydrophobicContact CG1-CE2 3.87Å; V352-F354 WeakPolarHBondContact O-CD2 3.48Å; V352-F354 PolarHBondContact O-N 2.92Å; F354-R356 VanDerWaalsContact C-N 3.33Å; F354-R356 PolarHBondContact O-N 3.38Å; F354-Y361 VanDerWaalsContact O-CE2 3.32Å; F354-Y361 WeakPolarHBondContact O-CE2 3.49Å; F354-Y361 PolarHBondContact O-OH 3.12Å; F354-F365 HydrophobicContact CB-CE2 4.4Å; F354-F365 HydrophobicContact CB-CZ 4.32Å; F354-F365 AromaticContact CD1-CE2 3.8Å; F354-F365 HydrophobicContact CD1-CE2 3.8Å; F354-F365 AromaticContact CD1-CZ 3.58Å; F354-F365 HydrophobicContact CD1-CZ 3.58Å; F354-F365 HydrophobicContact CD2-CE2 4.01Å; F354-F365 AromaticContact CE1-CE2 3.98Å; F354-F365 HydrophobicContact CE1-CE2 3.98Å; F354-F365 AromaticContact CE1-CZ 3.95Å; F354-F365 HydrophobicContact CE1-CZ 3.95Å; F354-F365 HydrophobicContact CE2-CE2 4.17Å; F354-F365 AromaticContact CG-CE2 3.8Å; F354-F365 HydrophobicContact CG-CE2 3.8Å; F354-F365 AromaticContact CG-CZ 3.91Å; F354-F365 HydrophobicContact CG-CZ 3.91Å; F354-F365 HydrophobicContact CZ-CE2 4.16Å; F354-E371 HydrophobicContact CE2-CB 4.28Å; F354-W373 HydrophobicContact CE1-CB 4.11Å; F354-N474 WeakPolarHBondContact CB-O 3.45Å; F354-N474 HydrophobicContact CD1-CB 4.07Å
355	F	98.1	Very high	97.3	Very high	76 Å²	76	43.1 Å²	43.1	33%	0.333	24%	0.237	S	C	.	.			trans	-76.6	86.8	169.9	-170.4	-129.1	0	0	0	109.4	N353 L444 K460	N353-F355 PolarHBondContact ND2-O 2.76Å; N353-F355 WeakPolarHBondContact OD1-CB 3.35Å; N353-F355 PolarHBondContact OD1-N 3.44Å; F355-L444 HydrophobicContact CD1-CD2 4.31Å; F355-L444 HydrophobicContact CD2-CB 4.48Å; F355-L444 HydrophobicContact CD2-CD2 3.92Å; F355-L444 HydrophobicContact CE1-CD2 4.09Å; F355-L444 HydrophobicContact CE2-CB 3.63Å; F355-L444 HydrophobicContact CE2-CD2 3.7Å; F355-L444 HydrophobicContact CE2-CG 4.32Å; F355-L444 HydrophobicContact CG-CD2 4.23Å; F355-L444 HydrophobicContact CZ-CB 3.89Å; F355-L444 HydrophobicContact CZ-CD2 3.79Å; F355-L444 HydrophobicContact CZ-CG 4.41Å; F355-K460 VanDerWaalsContact CA-O 3.26Å; F355-K460 WeakPolarHBondContact CA-O 3.47Å; F355-K460 HydrophobicContact CB-CB 4.48Å; F355-K460 VanDerWaalsContact CB-O 3.28Å; F355-K460 WeakPolarHBondContact CB-O 3.42Å; F355-K460 HydrophobicContact CD2-CB 4.05Å; F355-K460 HydrophobicContact CD2-CD 4.36Å; F355-K460 WeakPolarHBondContact CD2-O 3.25Å; F355-K460 HydrophobicContact CE2-CD 4.19Å; F355-K460 HydrophobicContact CG-CB 4.37Å; F355-K460 HydrophobicContact CZ-CD 4.42Å
356	R	98	Very high	97.2	Very high	88 Å²	88	45.5 Å²	45.5	33%	0.332	26%	0.261	S	S	.	.			trans	-131.1	162.3	-171.4	-58.2	-61.6	-175.1	172.3	7.7	111.8	N353 F354 T360 Y361 F365 L444	N353-R356 WeakPolarHBondContact O-CG 3.33Å; N353-R356 PolarHBondContact O-NE 3.01Å; F354-R356 VanDerWaalsContact C-N 3.33Å; F354-R356 PolarHBondContact O-N 3.38Å; R356-T360 HydrophobicContact CB-CG2 3.93Å; R356-T360 HydrophobicContact CG-CG2 3.97Å; R356-Y361 HydrophobicContact CB-CD2 3.94Å; R356-Y361 HydrophobicContact CB-CE2 3.77Å; R356-F365 HydrophobicContact CG-CD2 4.47Å; R356-F365 HydrophobicContact CG-CE1 4.27Å; R356-F365 HydrophobicContact CG-CE2 4.22Å; R356-F365 HydrophobicContact CG-CZ 4.1Å; R356-L444 WeakPolarHBondContact O-CD2 3.46Å
357	N	97.9	Very high	97	Very high	66 Å²	66	48.2 Å²	48.2	35%	0.353	28%	0.279	S	S	.	.			trans	-82.6	173.5	179.2	74.2	-6.4	0	0	0	112.4	E359 T360 Y361 D445	N357-E359 PolarHBondContact O-N 2.93Å; N357-T360 PolarHBondContact O-N 3.3Å; N357-T360 VanDerWaalsContact OD1-CB 3.27Å; N357-T360 WeakPolarHBondContact OD1-CB 3.3Å; N357-T360 PolarHBondContact OD1-N 2.76Å; N357-T360 VanDerWaalsContact OD1-N 3.08Å; N357-T360 PolarHBondContact OD1-OG1 3.06Å; N357-Y361 PolarHBondContact O-N 2.93Å; N357-Y361 VanDerWaalsContact O-N 3.13Å; N357-D445 WeakPolarHBondContact CA-OD1 3.26Å; N357-D445 WeakPolarHBondContact CB-OD2 3.28Å
358	W	98.6	Very high	96.7	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-54.5	-52.2	-177.8	-176.3	-90.9	0	0	0	113	T360 Y361 K362 E414 Y417 Y418 F441 T443 D445 R446 H448	W358-T360 VanDerWaalsContact C-N 3.28Å; W358-T360 PolarHBondContact O-N 3.29Å; W358-Y361 CarbonylContact O-C 3.56Å; W358-Y361 WeakPolarHBondContact O-CA 3.22Å; W358-Y361 PolarHBondContact O-N 2.96Å; W358-K362 WeakPolarHBondContact O-CB 3.36Å; W358-K362 PolarHBondContact O-N 2.85Å; W358-E414 HydrophobicContact CZ2-CG 4.2Å; W358-E414 PolarHBondContact NE1-OE1 2.89Å; W358-Y417 HydrophobicContact CH2-CD1 4.47Å; W358-Y418 AromaticContact CH2-CD2 3.96Å; W358-Y418 HydrophobicContact CH2-CD2 3.96Å; W358-Y418 AromaticContact CZ2-CD2 3.55Å; W358-Y418 HydrophobicContact CZ2-CD2 3.55Å; W358-Y418 AromaticContact CZ2-CE2 3.71Å; W358-Y418 HydrophobicContact CZ2-CE2 3.71Å; W358-F441 HydrophobicContact CH2-CB 4.31Å; W358-F441 HydrophobicContact CZ3-CB 4.2Å; W358-F441 HydrophobicContact CZ3-CD1 4.18Å; W358-F441 WeakPolarHBondContact CZ3-O 3.38Å; W358-T443 HydrophobicContact CE3-CG2 4.24Å; W358-T443 PolarHBondContact N-OG1 2.99Å; W358-D445 WeakPolarHBondContact CB-OD2 3.3Å; W358-D445 VanDerWaalsContact N-CG 3.35Å; W358-D445 PolarHBondContact N-OD1 3.05Å; W358-D445 PolarHBondContact N-OD2 2.87Å; W358-R446 HydrophobicContact CB-CG 4.08Å; W358-R446 VanDerWaalsContact CD1-NH1 3.31Å; W358-R446 HydrophobicContact CD2-CB 4.48Å; W358-R446 HydrophobicContact CD2-CG 4.34Å; W358-R446 VanDerWaalsContact CE2-NH1 3.26Å; W358-R446 HydrophobicContact CE3-CB 3.86Å; W358-R446 HydrophobicContact CE3-CG 4.21Å; W358-R446 HydrophobicContact CG-CG 4.3Å; W358-R446 HydrophobicContact CZ3-CB 4.36Å; W358-H448 AromaticContact CH2-CE1 3.95Å; W358-H448 AromaticContact CZ3-CE1 3.73Å; W358-H448 AromaticContact CZ3-ND1 3.77Å
359	E	98.4	Very high	96.4	Very high	83 Å²	83	51.1 Å²	51.1	39%	0.388	29%	0.294	S	S	.	.	H	α-helix	trans	-62.8	-36.2	-174.3	-170.8	57.5	-149.2	0	0	111.9	N357 K362 Q363	N357-E359 PolarHBondContact O-N 2.93Å; E359-K362 PolarHBondContact O-N 3.06Å; E359-Q363 HydrophobicContact CG-CG 4.47Å; E359-Q363 WeakPolarHBondContact O-CG 3.41Å; E359-Q363 PolarHBondContact O-N 3.48Å; E359-Q363 VanDerWaalsContact OE1-CG 3.28Å; E359-Q363 WeakPolarHBondContact OE1-CG 3.37Å; E359-Q363 PolarHBondContact OE1-NE2 2.79Å
360	T	98.3	Very high	96.3	Very high	45 Å²	45	48.1 Å²	48.1	28%	0.276	28%	0.282	S	S	.	.	H	α-helix	trans	-67.2	-41.4	175	-52.6	0	0	0	0	111.1	R356 N357 W358 K362 G364 F365	R356-T360 HydrophobicContact CB-CG2 3.93Å; R356-T360 HydrophobicContact CG-CG2 3.97Å; N357-T360 PolarHBondContact O-N 3.3Å; N357-T360 VanDerWaalsContact OD1-CB 3.27Å; N357-T360 WeakPolarHBondContact OD1-CB 3.3Å; N357-T360 PolarHBondContact OD1-N 2.76Å; N357-T360 VanDerWaalsContact OD1-N 3.08Å; N357-T360 PolarHBondContact OD1-OG1 3.06Å; W358-T360 VanDerWaalsContact C-N 3.28Å; W358-T360 PolarHBondContact O-N 3.29Å; T360-K362 VanDerWaalsContact C-N 3.33Å; T360-G364 PolarHBondContact O-N 2.87Å; T360-F365 HydrophobicContact CG2-CB 3.74Å; T360-F365 HydrophobicContact CG2-CD1 3.63Å; T360-F365 HydrophobicContact CG2-CE1 4.42Å; T360-F365 HydrophobicContact CG2-CG 3.84Å
361	Y	98.7	Very high	96.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.5	-31.1	173.7	-93.3	-75.5	0	0	0	113.3	F354 R356 N357 W358 F365 W373 G375 L376 F441 T443 G462	F354-Y361 VanDerWaalsContact O-CE2 3.32Å; F354-Y361 WeakPolarHBondContact O-CE2 3.49Å; F354-Y361 PolarHBondContact O-OH 3.12Å; R356-Y361 HydrophobicContact CB-CD2 3.94Å; R356-Y361 HydrophobicContact CB-CE2 3.77Å; N357-Y361 PolarHBondContact O-N 2.93Å; N357-Y361 VanDerWaalsContact O-N 3.13Å; W358-Y361 CarbonylContact O-C 3.56Å; W358-Y361 WeakPolarHBondContact O-CA 3.22Å; W358-Y361 PolarHBondContact O-N 2.96Å; Y361-F365 AromaticContact CD1-CE1 3.86Å; Y361-F365 HydrophobicContact CD1-CE1 3.86Å; Y361-F365 HydrophobicContact CD2-CE1 4.31Å; Y361-F365 AromaticContact CE1-CE1 3.72Å; Y361-F365 HydrophobicContact CE1-CE1 3.72Å; Y361-F365 AromaticContact CE1-CZ 3.92Å; Y361-F365 HydrophobicContact CE1-CZ 3.92Å; Y361-F365 HydrophobicContact CE2-CE1 4.19Å; Y361-F365 HydrophobicContact CE2-CZ 4.34Å; Y361-F365 HydrophobicContact CG-CE1 4.14Å; Y361-F365 AromaticContact CZ-CE1 3.88Å; Y361-F365 AromaticContact CZ-CZ 3.81Å; Y361-W373 AromaticContact CD1-CD1 3.74Å; Y361-W373 HydrophobicContact CD1-CD2 4.14Å; Y361-W373 AromaticContact CD1-CE2 3.83Å; Y361-W373 HydrophobicContact CD1-CG 4.11Å; Y361-W373 HydrophobicContact CD1-CZ2 4.42Å; Y361-W373 AromaticContact CD1-NE1 3.55Å; Y361-W373 HydrophobicContact CE1-CD2 4.17Å; Y361-W373 HydrophobicContact CE1-CG 4.2Å; Y361-W373 PolarHBondContact O-NE1 3.29Å; Y361-G375 CarbonylContact O-C 3.53Å; Y361-G375 WeakPolarHBondContact O-CA 3.49Å; Y361-L376 WeakPolarHBondContact O-CG 3.5Å; Y361-L376 PolarHBondContact O-N 3.47Å; Y361-F441 AromaticContact CD1-CE1 3.77Å; Y361-F441 HydrophobicContact CD1-CE1 3.77Å; Y361-F441 AromaticContact CD1-CZ 3.51Å; Y361-F441 HydrophobicContact CD1-CZ 3.51Å; Y361-F441 HydrophobicContact CD2-CE1 4.38Å; Y361-F441 HydrophobicContact CE1-CE1 4.45Å; Y361-F441 AromaticContact CE1-CZ 3.94Å; Y361-F441 HydrophobicContact CE1-CZ 3.94Å; Y361-F441 AromaticContact CG-CE1 3.75Å; Y361-F441 HydrophobicContact CG-CE1 3.75Å; Y361-F441 HydrophobicContact CG-CZ 4.01Å; Y361-T443 HydrophobicContact CD2-CG2 3.71Å; Y361-T443 HydrophobicContact CE2-CG2 4.45Å; Y361-T443 HydrophobicContact CG-CG2 4.16Å; Y361-G462 VanDerWaalsContact CZ-N 3.25Å; Y361-G462 PolarHBondContact OH-N 3.11Å
362	K	98.3	Very high	96.7	Very high	35 Å²	35	43 Å²	43	15%	0.152	24%	0.235	C	C	.	.	H	α-helix	trans	-66.7	-52.4	174.5	173.7	170.7	178.3	-179.4	0	111.9	W358 E359 T360 G375 L376 E377 E414 Y418	W358-K362 WeakPolarHBondContact O-CB 3.36Å; W358-K362 PolarHBondContact O-N 2.85Å; E359-K362 PolarHBondContact O-N 3.06Å; T360-K362 VanDerWaalsContact C-N 3.33Å; K362-G375 CarbonylContact O-C 3.56Å; K362-G375 WeakPolarHBondContact O-CA 3.46Å; K362-L376 PolarHBondContact O-N 3.05Å; K362-L376 VanDerWaalsContact O-N 3.13Å; K362-E377 WeakPolarHBondContact CE-OE2 3.41Å; K362-E377 HydrophobicContact CG-CB 4.22Å; K362-E377 WeakPolarHBondContact O-CB 3.21Å; K362-E377 PolarHBondContact O-N 3.34Å; K362-E377 VanDerWaalsContact O-N 3.16Å; K362-E414 WeakPolarHBondContact CE-OE2 3.2Å; K362-E414 IonicContact NZ-OE1 3.98Å; K362-E414 IonicContact NZ-OE2 2.7Å; K362-E414 PolarHBondContact NZ-OE2 3.37Å; K362-Y418 WeakPolarHBondContact CD-OH 3.34Å; K362-Y418 WeakPolarHBondContact CE-OH 3.29Å; K362-Y418 WeakPolarHBondContact CG-OH 3.35Å
363	Q	97.1	Very high	96.8	Very high	68 Å²	68	41.9 Å²	41.9	32%	0.318	23%	0.228	S	C	.	.	H	α-helix	trans	-79.4	-28.3	-173.6	-60.9	-62.2	-17.3	0	0	114.1	E359	E359-Q363 HydrophobicContact CG-CG 4.47Å; E359-Q363 WeakPolarHBondContact O-CG 3.41Å; E359-Q363 PolarHBondContact O-N 3.48Å; E359-Q363 VanDerWaalsContact OE1-CG 3.28Å; E359-Q363 WeakPolarHBondContact OE1-CG 3.37Å; E359-Q363 PolarHBondContact OE1-NE2 2.79Å
364	G	97.7	Very high	96.8	Very high	25 Å²	25	38.5 Å²	38.5	26%	0.258	21%	0.21	S	C	.	.			trans	100.7	155.2	-172.5	0	0	0	0	0	112.7	T360 W373 G375	T360-G364 PolarHBondContact O-N 2.87Å; G364-W373 CarbonylContact C-O 3.56Å; G364-W373 WeakPolarHBondContact CA-O 3.27Å; G364-G375 VanDerWaalsContact CA-CA 3.48Å
365	F	98.2	Very high	96.8	Very high	26 Å²	26	38.3 Å²	38.3	11%	0.114	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	161.2	-177.4	63.9	-89.6	0	0	0	112.7	V352 F354 R356 T360 Y361 Y372 W373	V352-F365 HydrophobicContact CG1-CD2 3.71Å; V352-F365 HydrophobicContact CG1-CE2 3.88Å; F354-F365 HydrophobicContact CB-CE2 4.4Å; F354-F365 HydrophobicContact CB-CZ 4.32Å; F354-F365 AromaticContact CD1-CE2 3.8Å; F354-F365 HydrophobicContact CD1-CE2 3.8Å; F354-F365 AromaticContact CD1-CZ 3.58Å; F354-F365 HydrophobicContact CD1-CZ 3.58Å; F354-F365 HydrophobicContact CD2-CE2 4.01Å; F354-F365 AromaticContact CE1-CE2 3.98Å; F354-F365 HydrophobicContact CE1-CE2 3.98Å; F354-F365 AromaticContact CE1-CZ 3.95Å; F354-F365 HydrophobicContact CE1-CZ 3.95Å; F354-F365 HydrophobicContact CE2-CE2 4.17Å; F354-F365 AromaticContact CG-CE2 3.8Å; F354-F365 HydrophobicContact CG-CE2 3.8Å; F354-F365 AromaticContact CG-CZ 3.91Å; F354-F365 HydrophobicContact CG-CZ 3.91Å; F354-F365 HydrophobicContact CZ-CE2 4.16Å; R356-F365 HydrophobicContact CG-CD2 4.47Å; R356-F365 HydrophobicContact CG-CE1 4.27Å; R356-F365 HydrophobicContact CG-CE2 4.22Å; R356-F365 HydrophobicContact CG-CZ 4.1Å; T360-F365 HydrophobicContact CG2-CB 3.74Å; T360-F365 HydrophobicContact CG2-CD1 3.63Å; T360-F365 HydrophobicContact CG2-CE1 4.42Å; T360-F365 HydrophobicContact CG2-CG 3.84Å; Y361-F365 AromaticContact CD1-CE1 3.86Å; Y361-F365 HydrophobicContact CD1-CE1 3.86Å; Y361-F365 HydrophobicContact CD2-CE1 4.31Å; Y361-F365 AromaticContact CE1-CE1 3.72Å; Y361-F365 HydrophobicContact CE1-CE1 3.72Å; Y361-F365 AromaticContact CE1-CZ 3.92Å; Y361-F365 HydrophobicContact CE1-CZ 3.92Å; Y361-F365 HydrophobicContact CE2-CE1 4.19Å; Y361-F365 HydrophobicContact CE2-CZ 4.34Å; Y361-F365 HydrophobicContact CG-CE1 4.14Å; Y361-F365 AromaticContact CZ-CE1 3.88Å; Y361-F365 AromaticContact CZ-CZ 3.81Å; F365-Y372 CarbonylContact O-C 3.41Å; F365-Y372 VanDerWaalsContact O-CA 3.27Å; F365-Y372 WeakPolarHBondContact O-CA 3.39Å; F365-Y372 WeakPolarHBondContact O-CB 3.48Å; F365-W373 HydrophobicContact CD1-CB 3.87Å; F365-W373 HydrophobicContact CD1-CG 4.29Å; F365-W373 HydrophobicContact CE1-CB 3.52Å; F365-W373 AromaticContact CE1-CD1 3.75Å; F365-W373 AromaticContact CE1-CG 3.81Å; F365-W373 HydrophobicContact CE1-CG 3.81Å; F365-W373 HydrophobicContact CE2-CB 4.21Å; F365-W373 HydrophobicContact CG-CB 4.4Å; F365-W373 HydrophobicContact CZ-CB 3.7Å; F365-W373 HydrophobicContact CZ-CG 4.33Å; F365-W373 PolarHBondContact N-O 3.06Å; F365-W373 PolarHBondContact O-N 2.94Å
366	G	96.4	Very high	96.9	Very high	50 Å²	50	34.7 Å²	34.7	52%	0.515	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	103.3	-157.3	-179.4	0	0	0	0	0	112.3	E371	G366-E371 CarbonylContact C-O 3.57Å; G366-E371 WeakPolarHBondContact CA-O 3.39Å
367	N	92.9	Very high	96.8	Very high	88 Å²	88	32.1 Å²	32.1	47%	0.471	19%	0.185	S	C	.	.			trans	-122.5	129	177.3	-176.7	0	0	0	0	109.9	D369 G370 E371 Y372	N367-D369 PolarHBondContact O-N 3.01Å; N367-D369 PolarHBondContact OD1-N 3.36Å; N367-D369 VanDerWaalsContact OD1-N 3.12Å; N367-G370 CarbonylContact O-C 3.6Å; N367-G370 WeakPolarHBondContact O-CA 3.47Å; N367-G370 PolarHBondContact O-N 3.47Å; N367-E371 PolarHBondContact N-O 3Å; N367-Y372 WeakPolarHBondContact O-CD1 3.25Å
368	I	91.8	Very high	96.8	Very high	35 Å²	35	29.4 Å²	29.4	18%	0.179	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.8	-178.2	-58.6	172	0	0	0	111.9	M316 Q329 W331 R346 Y372	M316-I368 HydrophobicContact CG-CB 4.36Å; M316-I368 HydrophobicContact CG-CG2 3.76Å; M316-I368 HydrophobicContact SD-CB 4.07Å; M316-I368 HydrophobicContact SD-CG2 4.12Å; Q329-I368 HydrophobicContact CB-CD1 3.34Å; Q329-I368 WeakPolarHBondContact O-CD1 3.34Å; W331-I368 HydrophobicContact CB-CG2 3.94Å; R346-I368 PolarHBondContact NH2-O 3.46Å; I368-Y372 HydrophobicContact CG2-CE1 4.4Å
369	D	88.6	Confident	96.7	Very high	87 Å²	87	29.4 Å²	29.4	47%	0.465	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-8.2	170.9	-65	-30.1	0	0	0	113.4	M316 W331 R346 N367	M316-D369 WeakPolarHBondContact CE-OD2 3.41Å; M316-D369 WeakPolarHBondContact CG-OD1 3.29Å; W331-D369 WeakPolarHBondContact CZ3-OD1 3.33Å; R346-D369 PolarHBondContact NH2-O 3.47Å; N367-D369 PolarHBondContact O-N 3.01Å; N367-D369 PolarHBondContact OD1-N 3.36Å; N367-D369 VanDerWaalsContact OD1-N 3.12Å
370	G	93.7	Very high	96.7	Very high	14 Å²	14	27.5 Å²	27.5	14%	0.144	16%	0.16	C	C	.	.	S	Bend	trans	-128.4	-137.5	-175.8	0	0	0	0	0	113	R346 N367	R346-G370 VanDerWaalsContact CZ-O 3.28Å; R346-G370 PolarHBondContact NE-O 2.82Å; R346-G370 PolarHBondContact NH2-O 2.69Å; N367-G370 CarbonylContact O-C 3.6Å; N367-G370 WeakPolarHBondContact O-CA 3.47Å; N367-G370 PolarHBondContact O-N 3.47Å
371	E	97.7	Very high	96.6	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.009	16%	0.159	C	C	.	.	S	Bend	trans	-78.8	135.2	169.9	-64.8	-164.9	146.5	0	0	110.7	R346 R347 L348 D349 G350 A351 V352 F354 G366 N367	R346-E371 VanDerWaalsContact O-CA 3.27Å; R346-E371 WeakPolarHBondContact O-CA 3.33Å; R346-E371 WeakPolarHBondContact O-CB 3.37Å; R347-E371 WeakPolarHBondContact CA-OE1 3.25Å; R347-E371 IonicContact NE-OE1 2.74Å; R347-E371 IonicContact NE-OE2 3.06Å; L348-E371 HydrophobicContact CD2-CB 4.42Å; L348-E371 HydrophobicContact CD2-CG 3.59Å; L348-E371 HydrophobicContact CG-CG 3.71Å; L348-E371 PolarHBondContact N-OE1 2.74Å; D349-E371 PolarHBondContact N-OE1 3.24Å; D349-E371 VanDerWaalsContact OD1-CD 3.3Å; D349-E371 WeakPolarHBondContact OD1-CG 3.47Å; G350-E371 WeakPolarHBondContact CA-OE2 3.4Å; G350-E371 PolarHBondContact N-OE1 2.86Å; A351-E371 PolarHBondContact N-OE2 2.84Å; V352-E371 HydrophobicContact CB-CB 3.88Å; V352-E371 HydrophobicContact CG2-CB 3.88Å; V352-E371 WeakPolarHBondContact CG2-O 3.45Å; V352-E371 PolarHBondContact N-OE2 3.47Å; V352-E371 VanDerWaalsContact N-OE2 3.13Å; F354-E371 HydrophobicContact CE2-CB 4.28Å; G366-E371 CarbonylContact C-O 3.57Å; G366-E371 WeakPolarHBondContact CA-O 3.39Å; N367-E371 PolarHBondContact N-O 3Å
372	Y	98.3	Very high	96.5	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.016	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	166.4	174.6	72.7	-86.1	0	0	0	113.9	W331 V343 Q345 R346 F365 N367 I368 L374	W331-Y372 HydrophobicContact CB-CE1 4.24Å; W331-Y372 WeakPolarHBondContact CB-OH 3.37Å; W331-Y372 PolarHBondContact N-OH 2.62Å; V343-Y372 VanDerWaalsContact CB-OH 3.26Å; V343-Y372 WeakPolarHBondContact CB-OH 3.36Å; V343-Y372 HydrophobicContact CG1-CE1 4.18Å; V343-Y372 WeakPolarHBondContact CG1-OH 3.45Å; V343-Y372 PolarHBondContact O-OH 3.15Å; Q345-Y372 WeakPolarHBondContact CA-O 3.39Å; R346-Y372 HydrophobicContact CB-CD1 4.35Å; R346-Y372 HydrophobicContact CB-CE1 4.39Å; R346-Y372 PolarHBondContact N-O 3.02Å; R346-Y372 PolarHBondContact O-N 2.79Å; F365-Y372 CarbonylContact O-C 3.41Å; F365-Y372 VanDerWaalsContact O-CA 3.27Å; F365-Y372 WeakPolarHBondContact O-CA 3.39Å; F365-Y372 WeakPolarHBondContact O-CB 3.48Å; N367-Y372 WeakPolarHBondContact O-CD1 3.25Å; I368-Y372 HydrophobicContact CG2-CE1 4.4Å; Y372-L374 HydrophobicContact CD2-CB 4.49Å; Y372-L374 HydrophobicContact CE2-CB 4.16Å; Y372-L374 HydrophobicContact CE2-CD1 4.49Å
373	W	98.7	Very high	96.4	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.3	165	173.9	-103.8	0	0	0	108.1	Q345 F354 Y361 G364 F365 G375 L376 I379 F441 W464	Q345-W373 HydrophobicContact CB-CE3 3.84Å; Q345-W373 HydrophobicContact CB-CZ3 4.04Å; Q345-W373 HydrophobicContact CG-CE3 3.67Å; Q345-W373 HydrophobicContact CG-CZ3 4.06Å; F354-W373 HydrophobicContact CE1-CB 4.11Å; Y361-W373 AromaticContact CD1-CD1 3.74Å; Y361-W373 HydrophobicContact CD1-CD2 4.14Å; Y361-W373 AromaticContact CD1-CE2 3.83Å; Y361-W373 HydrophobicContact CD1-CG 4.11Å; Y361-W373 HydrophobicContact CD1-CZ2 4.42Å; Y361-W373 AromaticContact CD1-NE1 3.55Å; Y361-W373 HydrophobicContact CE1-CD2 4.17Å; Y361-W373 HydrophobicContact CE1-CG 4.2Å; Y361-W373 PolarHBondContact O-NE1 3.29Å; G364-W373 CarbonylContact C-O 3.56Å; G364-W373 WeakPolarHBondContact CA-O 3.27Å; F365-W373 HydrophobicContact CD1-CB 3.87Å; F365-W373 HydrophobicContact CD1-CG 4.29Å; F365-W373 HydrophobicContact CE1-CB 3.52Å; F365-W373 AromaticContact CE1-CD1 3.75Å; F365-W373 AromaticContact CE1-CG 3.81Å; F365-W373 HydrophobicContact CE1-CG 3.81Å; F365-W373 HydrophobicContact CE2-CB 4.21Å; F365-W373 HydrophobicContact CG-CB 4.4Å; F365-W373 HydrophobicContact CZ-CB 3.7Å; F365-W373 HydrophobicContact CZ-CG 4.33Å; F365-W373 PolarHBondContact N-O 3.06Å; F365-W373 PolarHBondContact O-N 2.94Å; W373-G375 VanDerWaalsContact CD1-N 3.31Å; W373-G375 PolarHBondContact O-N 3.13Å; W373-L376 HydrophobicContact CZ2-CD2 3.71Å; W373-L376 HydrophobicContact CZ2-CG 4.01Å; W373-I379 HydrophobicContact CH2-CD1 3.83Å; W373-I379 HydrophobicContact CZ2-CD1 3.63Å; W373-I379 HydrophobicContact CZ3-CD1 4.4Å; W373-F441 HydrophobicContact CH2-CE2 4.39Å; W373-F441 HydrophobicContact CZ2-CE2 4.28Å; W373-F441 HydrophobicContact CZ2-CZ 4.35Å; W373-W464 AromaticContact CH2-CH2 3.99Å; W373-W464 HydrophobicContact CH2-CH2 3.99Å; W373-W464 HydrophobicContact CH2-CZ3 4.49Å
374	L	98.2	Very high	96.2	Very high	10 Å²	10	25.7 Å²	25.7	5%	0.052	15%	0.147	C	C	.	.			trans	-67.3	-23.1	-172.5	-176.8	58.7	0	0	0	113.7	V330 I344 Y372 N378 I379 L382	V330-L374 HydrophobicContact CG1-CD1 3.84Å; V330-L374 HydrophobicContact CG1-CD2 4.01Å; I344-L374 HydrophobicContact CB-CB 4.36Å; I344-L374 HydrophobicContact CB-CD2 4.37Å; I344-L374 HydrophobicContact CG2-CD2 3.9Å; I344-L374 WeakPolarHBondContact O-CB 3.36Å; I344-L374 PolarHBondContact O-N 3.46Å; Y372-L374 HydrophobicContact CD2-CB 4.49Å; Y372-L374 HydrophobicContact CE2-CB 4.16Å; Y372-L374 HydrophobicContact CE2-CD1 4.49Å; L374-N378 HydrophobicContact CD2-CB 4.45Å; L374-N378 HydrophobicContact CG-CB 3.94Å; L374-N378 PolarHBondContact O-ND2 2.79Å; L374-I379 HydrophobicContact CB-CD1 4.46Å; L374-I379 HydrophobicContact CB-CG1 4.24Å; L374-I379 HydrophobicContact CD2-CG1 4.34Å; L374-L382 HydrophobicContact CD2-CD1 3.64Å
375	G	98.1	Very high	96	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.			trans	104.6	131.4	-175.9	0	0	0	0	0	112.2	Y361 K362 G364 W373 E377 N378 I379	Y361-G375 CarbonylContact O-C 3.53Å; Y361-G375 WeakPolarHBondContact O-CA 3.49Å; K362-G375 CarbonylContact O-C 3.56Å; K362-G375 WeakPolarHBondContact O-CA 3.46Å; G364-G375 VanDerWaalsContact CA-CA 3.48Å; W373-G375 VanDerWaalsContact CD1-N 3.31Å; W373-G375 PolarHBondContact O-N 3.13Å; G375-E377 VanDerWaalsContact C-N 3.25Å; G375-E377 PolarHBondContact O-N 2.85Å; G375-N378 PolarHBondContact O-N 3.43Å; G375-N378 VanDerWaalsContact O-N 3.13Å; G375-I379 VanDerWaalsContact O-CG1 3.26Å; G375-I379 WeakPolarHBondContact O-CG1 3.43Å; G375-I379 PolarHBondContact O-N 2.64Å
376	L	98.5	Very high	95.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58.5	-38.7	-178.6	-67.5	158.2	0	0	0	112	Y361 K362 W373 I379 Y380 Y418 F441 W464	Y361-L376 WeakPolarHBondContact O-CG 3.5Å; Y361-L376 PolarHBondContact O-N 3.47Å; K362-L376 PolarHBondContact O-N 3.05Å; K362-L376 VanDerWaalsContact O-N 3.13Å; W373-L376 HydrophobicContact CZ2-CD2 3.71Å; W373-L376 HydrophobicContact CZ2-CG 4.01Å; L376-I379 PolarHBondContact O-N 3.08Å; L376-Y380 VanDerWaalsContact O-CB 3.3Å; L376-Y380 WeakPolarHBondContact O-CB 3.36Å; L376-Y380 PolarHBondContact O-N 3.41Å; L376-Y418 HydrophobicContact CB-CD1 3.78Å; L376-Y418 HydrophobicContact CB-CD2 3.78Å; L376-Y418 HydrophobicContact CB-CE1 3.87Å; L376-Y418 HydrophobicContact CB-CE2 3.86Å; L376-Y418 HydrophobicContact CB-CG 3.72Å; L376-Y418 HydrophobicContact CD1-CD2 3.68Å; L376-Y418 HydrophobicContact CD1-CE2 4.09Å; L376-Y418 HydrophobicContact CD1-CG 4.18Å; L376-Y418 HydrophobicContact CD2-CG 4.23Å; L376-Y418 HydrophobicContact CG-CD2 4.21Å; L376-Y418 HydrophobicContact CG-CG 4.26Å; L376-F441 HydrophobicContact CD1-CB 4.46Å; L376-F441 HydrophobicContact CD1-CD1 3.57Å; L376-F441 HydrophobicContact CD1-CD2 4.37Å; L376-F441 HydrophobicContact CD1-CE1 3.75Å; L376-F441 HydrophobicContact CD1-CG 3.88Å; L376-F441 HydrophobicContact CD1-CZ 4.21Å; L376-F441 HydrophobicContact CD2-CD1 4.37Å; L376-F441 HydrophobicContact CD2-CD2 3.66Å; L376-F441 HydrophobicContact CD2-CE1 4.49Å; L376-F441 HydrophobicContact CD2-CE2 3.79Å; L376-F441 HydrophobicContact CD2-CG 3.95Å; L376-F441 HydrophobicContact CD2-CZ 4.19Å; L376-W464 HydrophobicContact CD2-CZ2 4.3Å
377	E	97	Very high	95.6	Very high	34 Å²	34	26.5 Å²	26.5	16%	0.159	15%	0.145	C	C	.	.	H	α-helix	trans	-60	-47.5	176.5	-169.1	66.7	-145.3	0	0	110.9	K362 G375 Y380 W381 Y418	K362-E377 WeakPolarHBondContact CE-OE2 3.41Å; K362-E377 HydrophobicContact CG-CB 4.22Å; K362-E377 WeakPolarHBondContact O-CB 3.21Å; K362-E377 PolarHBondContact O-N 3.34Å; K362-E377 VanDerWaalsContact O-N 3.16Å; G375-E377 VanDerWaalsContact C-N 3.25Å; G375-E377 PolarHBondContact O-N 2.85Å; E377-Y380 WeakPolarHBondContact O-CB 3.2Å; E377-Y380 PolarHBondContact O-N 2.85Å; E377-W381 PolarHBondContact O-N 3.48Å; E377-W381 VanDerWaalsContact O-N 3.1Å; E377-W381 PolarHBondContact OE1-NE1 2.9Å; E377-Y418 PolarHBondContact OE2-OH 3.33Å
378	N	96.7	Very high	95.8	Very high	9 Å²	9	22.6 Å²	22.6	5%	0.048	12%	0.124	C	C	.	.	H	α-helix	trans	-66.9	-40.1	-179.2	-64.9	-28.7	0	0	0	111.6	M328 L374 G375 W381 L382	M328-N378 HydrophobicContact CE-CB 3.67Å; M328-N378 HydrophobicContact SD-CB 3.85Å; L374-N378 HydrophobicContact CD2-CB 4.45Å; L374-N378 HydrophobicContact CG-CB 3.94Å; L374-N378 PolarHBondContact O-ND2 2.79Å; G375-N378 PolarHBondContact O-N 3.43Å; G375-N378 VanDerWaalsContact O-N 3.13Å; N378-W381 PolarHBondContact O-N 3.46Å; N378-L382 WeakPolarHBondContact O-CB 3.35Å; N378-L382 WeakPolarHBondContact O-CG 3.26Å; N378-L382 PolarHBondContact O-N 3.43Å
379	I	98	Very high	96.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68	-37.7	176.3	-60.1	164.3	0	0	0	111.1	I344 W373 L374 G375 L376 L382 T383 F409 V411	I344-I379 HydrophobicContact CB-CD1 4.1Å; I344-I379 HydrophobicContact CB-CG1 4.07Å; I344-I379 HydrophobicContact CD1-CD1 4.33Å; I344-I379 HydrophobicContact CD1-CG2 4.35Å; I344-I379 HydrophobicContact CG2-CG1 4.17Å; W373-I379 HydrophobicContact CH2-CD1 3.83Å; W373-I379 HydrophobicContact CZ2-CD1 3.63Å; W373-I379 HydrophobicContact CZ3-CD1 4.4Å; L374-I379 HydrophobicContact CB-CD1 4.46Å; L374-I379 HydrophobicContact CB-CG1 4.24Å; L374-I379 HydrophobicContact CD2-CG1 4.34Å; G375-I379 VanDerWaalsContact O-CG1 3.26Å; G375-I379 WeakPolarHBondContact O-CG1 3.43Å; G375-I379 PolarHBondContact O-N 2.64Å; L376-I379 PolarHBondContact O-N 3.08Å; I379-L382 PolarHBondContact O-N 3.42Å; I379-T383 HydrophobicContact CG2-CG2 4.24Å; I379-T383 WeakPolarHBondContact O-CB 3.47Å; I379-T383 WeakPolarHBondContact O-CG2 3.38Å; I379-T383 PolarHBondContact O-N 3.26Å; I379-T383 PolarHBondContact O-OG1 2.95Å; I379-F409 HydrophobicContact CG2-CE1 3.79Å; I379-F409 HydrophobicContact CG2-CZ 4.06Å; I379-V411 HydrophobicContact CG2-CB 4.48Å; I379-V411 HydrophobicContact CG2-CG2 3.68Å
380	Y	97.4	Very high	96.5	Very high	44 Å²	44	18 Å²	18	17%	0.173	10%	0.098	C	C	.	.	H	α-helix	trans	-57.3	-53.5	172.8	164.2	-100.7	0	0	0	110.9	L376 E377 L382 T383 N384 V411 E412 P413	L376-Y380 VanDerWaalsContact O-CB 3.3Å; L376-Y380 WeakPolarHBondContact O-CB 3.36Å; L376-Y380 PolarHBondContact O-N 3.41Å; E377-Y380 WeakPolarHBondContact O-CB 3.2Å; E377-Y380 PolarHBondContact O-N 2.85Å; Y380-L382 PolarHBondContact O-N 3.46Å; Y380-T383 PolarHBondContact O-N 3.04Å; Y380-T383 PolarHBondContact O-OG1 2.9Å; Y380-N384 WeakPolarHBondContact CD2-ND2 3.43Å; Y380-N384 HydrophobicContact CE2-CB 4.36Å; Y380-N384 WeakPolarHBondContact CE2-ND2 3.37Å; Y380-N384 WeakPolarHBondContact O-CB 3.41Å; Y380-N384 PolarHBondContact O-N 3.35Å; Y380-N384 PolarHBondContact O-ND2 2.89Å; Y380-V411 WeakPolarHBondContact CD2-O 3.43Å; Y380-E412 WeakPolarHBondContact CD2-O 3.28Å; Y380-P413 HydrophobicContact CD2-CB 4.33Å; Y380-P413 HydrophobicContact CE2-CB 3.74Å; Y380-P413 HydrophobicContact CE2-CG 4.3Å
381	W	96.4	Very high	96.8	Very high	69 Å²	69	17.7 Å²	17.7	26%	0.261	9%	0.094	S	C	.	.	H	α-helix	trans	-62.2	-41.3	179.8	-69.6	112.9	0	0	0	113	P321 N323 A324 E377 N378 T383	P321-W381 HydrophobicContact CB-CB 4.11Å; P321-W381 HydrophobicContact CG-CB 4.03Å; N323-W381 HydrophobicContact CB-CE3 4.22Å; N323-W381 HydrophobicContact CB-CZ3 4.11Å; N323-W381 WeakPolarHBondContact O-CZ3 3.37Å; A324-W381 HydrophobicContact CB-CB 3.95Å; A324-W381 HydrophobicContact CB-CD2 3.86Å; A324-W381 HydrophobicContact CB-CE3 4.1Å; A324-W381 HydrophobicContact CB-CG 3.77Å; E377-W381 PolarHBondContact O-N 3.48Å; E377-W381 VanDerWaalsContact O-N 3.1Å; E377-W381 PolarHBondContact OE1-NE1 2.9Å; N378-W381 PolarHBondContact O-N 3.46Å; W381-T383 PolarHBondContact O-N 3.5Å
382	L	96	Very high	96.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.7	-37	175.8	-76.9	167.2	0	0	0	113.2	V319 P321 M328 T342 L374 N378 I379 Y380 Q385 Y388 I510	V319-L382 HydrophobicContact CG1-CD2 3.92Å; P321-L382 HydrophobicContact CG-CD2 3.92Å; P321-L382 HydrophobicContact CG-CG 4.08Å; M328-L382 HydrophobicContact SD-CD1 3.77Å; M328-L382 HydrophobicContact SD-CD2 4.44Å; M328-L382 HydrophobicContact SD-CG 4.01Å; T342-L382 HydrophobicContact CG2-CD1 4.09Å; L374-L382 HydrophobicContact CD2-CD1 3.64Å; N378-L382 WeakPolarHBondContact O-CB 3.35Å; N378-L382 WeakPolarHBondContact O-CG 3.26Å; N378-L382 PolarHBondContact O-N 3.43Å; I379-L382 PolarHBondContact O-N 3.42Å; Y380-L382 PolarHBondContact O-N 3.46Å; L382-Q385 WeakPolarHBondContact O-CG 2.95Å; L382-Y388 WeakPolarHBondContact O-CD2 3.14Å; L382-Y388 WeakPolarHBondContact O-CE2 3.11Å; L382-I510 HydrophobicContact CB-CD1 3.96Å; L382-I510 HydrophobicContact CD1-CD1 4.4Å
383	T	96.1	Very high	96.8	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.012	10%	0.101	C	C	.	.	H	α-helix	trans	-93.5	-1.8	-175.5	58.8	0	0	0	0	114.6	I379 Y380 W381 F409 V411 I510	I379-T383 HydrophobicContact CG2-CG2 4.24Å; I379-T383 WeakPolarHBondContact O-CB 3.47Å; I379-T383 WeakPolarHBondContact O-CG2 3.38Å; I379-T383 PolarHBondContact O-N 3.26Å; I379-T383 PolarHBondContact O-OG1 2.95Å; Y380-T383 PolarHBondContact O-N 3.04Å; Y380-T383 PolarHBondContact O-OG1 2.9Å; W381-T383 PolarHBondContact O-N 3.5Å; T383-F409 HydrophobicContact CG2-CD1 3.64Å; T383-F409 HydrophobicContact CG2-CE1 3.73Å; T383-V411 PolarHBondContact OG1-N 3.26Å; T383-I510 HydrophobicContact CG2-CD1 3.79Å
384	N	94.8	Very high	96.8	Very high	38 Å²	38	18.8 Å²	18.8	20%	0.203	10%	0.101	C	C	.	.	H	α-helix	trans	-110.3	1.2	176.1	-74.8	-89.2	0	0	0	114	Y380 G386 R410 V411	Y380-N384 WeakPolarHBondContact CD2-ND2 3.43Å; Y380-N384 HydrophobicContact CE2-CB 4.36Å; Y380-N384 WeakPolarHBondContact CE2-ND2 3.37Å; Y380-N384 WeakPolarHBondContact O-CB 3.41Å; Y380-N384 PolarHBondContact O-N 3.35Å; Y380-N384 PolarHBondContact O-ND2 2.89Å; N384-G386 VanDerWaalsContact C-N 3.35Å; N384-R410 WeakPolarHBondContact OD1-CD 3.34Å; N384-R410 VanDerWaalsContact OD1-CZ 3.27Å; N384-R410 PolarHBondContact OD1-NE 3.07Å; N384-R410 PolarHBondContact OD1-NH1 3.06Å; N384-V411 PolarHBondContact ND2-O 2.86Å
385	Q	92.9	Very high	96.8	Very high	29 Å²	29	19.2 Å²	19.2	14%	0.136	10%	0.102	C	C	.	.	S	Bend	trans	-84.7	-5.4	168.4	67.1	-175.7	-9	0	0	113.8	R301 L382 Y388	R301-Q385 PolarHBondContact O-NE2 2.76Å; L382-Q385 WeakPolarHBondContact O-CG 2.95Å; Q385-Y388 HydrophobicContact CG-CE2 4.03Å; Q385-Y388 PolarHBondContact NE2-OH 2.98Å
386	G	92.1	Very high	96.8	Very high	39 Å²	39	19.2 Å²	19.2	40%	0.402	10%	0.102	S	C	.	.	S	Bend	trans	172.4	-172.7	178	0	0	0	0	0	111.8	N384 Y388	N384-G386 VanDerWaalsContact C-N 3.35Å; G386-Y388 WeakPolarHBondContact O-CD2 3.38Å
387	T	94.5	Very high	96.8	Very high	50 Å²	50	22.6 Å²	22.6	31%	0.307	12%	0.115	S	C	.	.			trans	-84.1	124.7	175.2	-52.5	0	0	0	0	110.6	N513 T516	T387-N513 PolarHBondContact O-N 2.93Å; T387-T516 WeakPolarHBondContact CG2-OG1 3.48Å
388	Y	97	Very high	96.8	Very high	6 Å²	6	25.6 Å²	25.6	2%	0.024	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	143	179.5	-79.6	-110.3	0	0	0	110.5	D302 L382 Q385 G386 S408 F409 I510 R511 P512	D302-Y388 PolarHBondContact OD2-OH 2.66Å; L382-Y388 WeakPolarHBondContact O-CD2 3.14Å; L382-Y388 WeakPolarHBondContact O-CE2 3.11Å; Q385-Y388 HydrophobicContact CG-CE2 4.03Å; Q385-Y388 PolarHBondContact NE2-OH 2.98Å; G386-Y388 WeakPolarHBondContact O-CD2 3.38Å; Y388-S408 CarbonylContact O-C 3.36Å; Y388-S408 VanDerWaalsContact O-CA 3.26Å; Y388-S408 WeakPolarHBondContact O-CA 3.26Å; Y388-F409 PolarHBondContact O-N 2.97Å; Y388-I510 HydrophobicContact CD1-CB 4.04Å; Y388-I510 HydrophobicContact CD1-CD1 3.92Å; Y388-I510 HydrophobicContact CD1-CG1 3.96Å; Y388-I510 HydrophobicContact CE1-CD1 4.32Å; Y388-I510 HydrophobicContact CE1-CG1 4.45Å; Y388-R511 CarbonylContact C-O 3.58Å; Y388-R511 WeakPolarHBondContact CA-O 3.28Å; Y388-R511 VanDerWaalsContact CD1-C 3.48Å; Y388-P512 HydrophobicContact CD1-CG 4.45Å; Y388-P512 HydrophobicContact CE1-CG 3.84Å; Y388-P512 HydrophobicContact CE2-CG 4.49Å
389	K	97.1	Very high	96.8	Very high	26 Å²	26	27.1 Å²	27.1	11%	0.113	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	150.1	163.6	67	173.5	-176.8	151	0	110.9	W341 E405 Y406 I510 R511 N513	W341-K389 HydrophobicContact CH2-CD 4.15Å; W341-K389 VanDerWaalsContact CH2-CE 3.49Å; W341-K389 HydrophobicContact CH2-CG 4.14Å; W341-K389 HydrophobicContact CZ3-CG 4.25Å; K389-E405 HydrophobicContact CD-CG 4.3Å; K389-E405 WeakPolarHBondContact CD-OE1 3.46Å; K389-E405 IonicContact NZ-OE1 2.86Å; K389-E405 PolarHBondContact NZ-OE1 3.45Å; K389-E405 IonicContact NZ-OE2 3.48Å; K389-E405 PolarHBondContact NZ-OE2 2.85Å; K389-Y406 WeakPolarHBondContact CA-O 3.24Å; K389-Y406 WeakPolarHBondContact CB-O 3.41Å; K389-I510 VanDerWaalsContact O-CA 3.25Å; K389-I510 WeakPolarHBondContact O-CA 3.25Å; K389-R511 PolarHBondContact N-O 3.01Å; K389-R511 PolarHBondContact O-N 3.06Å; K389-R511 VanDerWaalsContact O-N 3.09Å; K389-N513 HydrophobicContact CB-CB 3.86Å; K389-N513 HydrophobicContact CD-CB 4.38Å; K389-N513 HydrophobicContact CG-CB 3.99Å
390	L	98.4	Very high	96.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	130.1	174.5	167.5	68.6	0	0	0	109.5	I344 I392 E405 Y406 F409 L433 M508 I510	I344-L390 HydrophobicContact CD1-CD1 4.31Å; L390-I392 HydrophobicContact CD1-CG1 4.15Å; L390-I392 HydrophobicContact CD2-CD1 4.06Å; L390-I392 HydrophobicContact CD2-CG1 4.09Å; L390-I392 HydrophobicContact CG-CD1 4.5Å; L390-I392 HydrophobicContact CG-CG1 3.99Å; L390-E405 CarbonylContact O-C 3.22Å; L390-E405 VanDerWaalsContact O-CA 3.29Å; L390-E405 WeakPolarHBondContact O-CA 3.37Å; L390-Y406 HydrophobicContact CD2-CD2 4.15Å; L390-Y406 HydrophobicContact CG-CD2 4.45Å; L390-Y406 PolarHBondContact N-O 3Å; L390-Y406 PolarHBondContact O-N 2.93Å; L390-F409 HydrophobicContact CB-CB 3.49Å; L390-F409 VanDerWaalsContact CB-CB 3.49Å; L390-F409 HydrophobicContact CB-CD1 4.28Å; L390-F409 HydrophobicContact CB-CD2 4.11Å; L390-F409 HydrophobicContact CB-CG 3.71Å; L390-F409 HydrophobicContact CD2-CD2 3.59Å; L390-F409 HydrophobicContact CD2-CE2 3.92Å; L390-F409 HydrophobicContact CD2-CG 4.09Å; L390-F409 HydrophobicContact CG-CD2 4.37Å; L390-F409 HydrophobicContact CG-CG 4.4Å; L390-L433 HydrophobicContact CD2-CD2 3.8Å; L390-M508 HydrophobicContact CD1-CB 4.15Å; L390-M508 HydrophobicContact CD1-CE 4.27Å; L390-M508 HydrophobicContact CD2-CE 4.22Å; L390-I510 HydrophobicContact CB-CG2 4.39Å; L390-I510 HydrophobicContact CD1-CG2 3.99Å
391	L	98.3	Very high	96.8	Very high	8 Å²	8	39.3 Å²	39.3	4%	0.042	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	126	168.2	176.7	59	0	0	0	109.3	W341 T393 F403 E405 M509	W341-L391 HydrophobicContact CD2-CD2 4.47Å; W341-L391 HydrophobicContact CE3-CB 4.17Å; W341-L391 HydrophobicContact CH2-CB 3.42Å; W341-L391 VanDerWaalsContact CH2-CB 3.42Å; W341-L391 HydrophobicContact CH2-CD2 3.73Å; W341-L391 HydrophobicContact CH2-CG 4.21Å; W341-L391 HydrophobicContact CZ2-CB 4.09Å; W341-L391 HydrophobicContact CZ2-CD2 3.48Å; W341-L391 VanDerWaalsContact CZ2-CD2 3.48Å; W341-L391 HydrophobicContact CZ2-CG 4.44Å; W341-L391 HydrophobicContact CZ3-CB 3.47Å; W341-L391 VanDerWaalsContact CZ3-CB 3.47Å; W341-L391 HydrophobicContact CZ3-CD2 4.33Å; L391-T393 HydrophobicContact CD1-CG2 4.45Å; L391-T393 HydrophobicContact CD2-CG2 4.47Å; L391-T393 HydrophobicContact CG-CG2 4.2Å; L391-F403 HydrophobicContact CD1-CB 3.97Å; L391-F403 HydrophobicContact CD1-CD2 3.78Å; L391-F403 HydrophobicContact CD1-CG 4.27Å; L391-E405 HydrophobicContact CD1-CB 4.24Å; L391-M509 HydrophobicContact CB-CG 4.23Å; L391-M509 HydrophobicContact CD2-CE 3.75Å; L391-M509 HydrophobicContact CG-CE 3.99Å; L391-M509 PolarHBondContact N-O 3.27Å; L391-M509 PolarHBondContact O-N 2.75Å
392	I	98.6	Very high	96.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.2	172.2	-53.6	-178	0	0	0	107.8	L390 L394 F403 A404 Y406 L433 L473 W493 V506 V507 M508	L390-I392 HydrophobicContact CD1-CG1 4.15Å; L390-I392 HydrophobicContact CD2-CD1 4.06Å; L390-I392 HydrophobicContact CD2-CG1 4.09Å; L390-I392 HydrophobicContact CG-CD1 4.5Å; L390-I392 HydrophobicContact CG-CG1 3.99Å; I392-L394 HydrophobicContact CG2-CD2 3.61Å; I392-L394 HydrophobicContact CG2-CG 4.18Å; I392-F403 CarbonylContact O-C 3.6Å; I392-F403 WeakPolarHBondContact O-CA 3.38Å; I392-F403 WeakPolarHBondContact O-CB 3.39Å; I392-A404 HydrophobicContact CB-CB 4.41Å; I392-A404 PolarHBondContact N-O 3.16Å; I392-A404 PolarHBondContact O-N 3.29Å; I392-Y406 HydrophobicContact CD1-CE2 4.27Å; I392-L433 HydrophobicContact CD1-CD2 4.02Å; I392-L473 HydrophobicContact CD1-CD1 4.02Å; I392-L473 HydrophobicContact CG2-CD1 3.78Å; I392-W493 HydrophobicContact CD1-CH2 3.92Å; I392-W493 HydrophobicContact CD1-CZ3 3.78Å; I392-V506 HydrophobicContact CG2-CG1 4.49Å; I392-V507 CarbonylContact C-O 3.58Å; I392-V507 VanDerWaalsContact CA-O 3.31Å; I392-V507 WeakPolarHBondContact CA-O 3.4Å; I392-M508 HydrophobicContact CD1-CE 4.23Å; I392-M508 HydrophobicContact CG1-CG 4.21Å; I392-M508 HydrophobicContact CG2-CG 4.43Å
393	T	98.3	Very high	97	Very high	28 Å²	28	39.8 Å²	39.8	17%	0.172	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	138.1	171.8	64.1	0	0	0	0	110.3	L391 F403 V506 V507 M509	L391-T393 HydrophobicContact CD1-CG2 4.45Å; L391-T393 HydrophobicContact CD2-CG2 4.47Å; L391-T393 HydrophobicContact CG-CG2 4.2Å; T393-F403 HydrophobicContact CG2-CB 4.46Å; T393-V506 WeakPolarHBondContact O-CA 3.38Å; T393-V507 PolarHBondContact N-O 3.25Å; T393-V507 PolarHBondContact O-N 3.43Å; T393-V507 WeakPolarHBondContact OG1-CB 3.29Å; T393-M509 HydrophobicContact CG2-CE 3.71Å
394	L	98.6	Very high	97.1	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.1	-173.4	-52.4	176.6	0	0	0	109.4	I392 K401 V402 A429 L473 W493 F496 L503 V506	I392-L394 HydrophobicContact CG2-CD2 3.61Å; I392-L394 HydrophobicContact CG2-CG 4.18Å; L394-K401 VanDerWaalsContact O-CA 3.28Å; L394-K401 WeakPolarHBondContact O-CA 3.47Å; L394-V402 HydrophobicContact CB-CG2 3.86Å; L394-V402 HydrophobicContact CD1-CG2 4.09Å; L394-V402 HydrophobicContact CG-CG2 4.43Å; L394-V402 PolarHBondContact N-O 2.98Å; L394-V402 PolarHBondContact O-N 3.4Å; L394-A429 HydrophobicContact CD1-CB 4.03Å; L394-L473 HydrophobicContact CD2-CD2 4.08Å; L394-W493 HydrophobicContact CD1-CB 3.74Å; L394-W493 HydrophobicContact CD1-CD2 3.8Å; L394-W493 HydrophobicContact CD1-CE3 4.27Å; L394-W493 HydrophobicContact CD1-CG 3.58Å; L394-F496 HydrophobicContact CB-CD1 4.41Å; L394-F496 HydrophobicContact CB-CE1 4.47Å; L394-F496 HydrophobicContact CD1-CD1 4.35Å; L394-L503 HydrophobicContact CB-CD1 4.1Å; L394-L503 HydrophobicContact CD1-CD1 4.06Å; L394-L503 HydrophobicContact CD2-CD1 3.79Å; L394-L503 HydrophobicContact CG-CD1 4.19Å; L394-V506 HydrophobicContact CD2-CB 4.34Å; L394-V506 HydrophobicContact CD2-CG1 3.92Å; L394-V506 HydrophobicContact CD2-CG2 3.87Å
395	E	98.6	Very high	97.3	Very high	18 Å²	18	39.9 Å²	39.9	8%	0.084	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.7	172.3	-170.4	-175.8	117.2	0	0	109.3	K401 K504 K505	E395-K401 HydrophobicContact CB-CG 4.27Å; E395-K401 HydrophobicContact CG-CG 4.05Å; E395-K401 WeakPolarHBondContact OE2-CE 3.44Å; E395-K401 IonicContact OE2-NZ 2.73Å; E395-K504 WeakPolarHBondContact O-CB 3.38Å; E395-K504 PolarHBondContact O-N 2.94Å; E395-K504 WeakPolarHBondContact OE1-CE 3.31Å; E395-K504 IonicContact OE1-NZ 3.21Å; E395-K504 PolarHBondContact OE1-NZ 2.91Å; E395-K505 HydrophobicContact CB-CB 3.91Å; E395-K505 HydrophobicContact CB-CD 4.42Å; E395-K505 HydrophobicContact CB-CG 4.19Å; E395-K505 VanDerWaalsContact CD-NZ 3.28Å; E395-K505 PolarHBondContact N-O 3.13Å; E395-K505 PolarHBondContact O-N 3.22Å; E395-K505 VanDerWaalsContact O-N 3.09Å; E395-K505 VanDerWaalsContact OE1-CE 3.24Å; E395-K505 WeakPolarHBondContact OE1-CE 3.19Å; E395-K505 IonicContact OE1-NZ 2.71Å; E395-K505 PolarHBondContact OE1-NZ 3.19Å; E395-K505 WeakPolarHBondContact OE2-CE 3.32Å; E395-K505 IonicContact OE2-NZ 3.69Å; E395-K505 PolarHBondContact OE2-NZ 2.64Å
396	D	98.1	Very high	97.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.206	C	C	.	.			trans	-91.5	179.2	173.4	79.4	8.7	0	0	0	113.2	S398 G399 R400 F496 R497 Y501 L503	D396-S398 PolarHBondContact O-N 3.04Å; D396-S398 VanDerWaalsContact OD1-C 3.3Å; D396-S398 VanDerWaalsContact OD1-CA 3.29Å; D396-S398 WeakPolarHBondContact OD1-CA 3.26Å; D396-S398 WeakPolarHBondContact OD1-CB 3.42Å; D396-S398 PolarHBondContact OD1-N 2.88Å; D396-G399 PolarHBondContact O-N 2.74Å; D396-G399 PolarHBondContact OD1-N 2.94Å; D396-R400 PolarHBondContact N-O 3.5Å; D396-R400 PolarHBondContact OD1-N 2.82Å; D396-F496 HydrophobicContact CB-CE1 4.03Å; D396-F496 HydrophobicContact CB-CZ 4.07Å; D396-R497 IonicContact OD2-CZ 3.6Å; D396-R497 IonicContact OD2-NE 3.57Å; D396-R497 PolarHBondContact OD2-NE 2.93Å; D396-R497 IonicContact OD2-NH2 3.35Å; D396-R497 PolarHBondContact OD2-NH2 3.37Å; D396-Y501 HydrophobicContact CB-CE1 3.96Å; D396-L503 HydrophobicContact CB-CD2 4.43Å
397	W	97.8	Very high	97.7	Very high	71 Å²	71	38 Å²	38	27%	0.269	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-13.8	-179.1	-65.7	83.4	0	0	0	114.2	G399 W477 Y478 R479 G480 G481 Y501 S502 K504	W397-G399 VanDerWaalsContact C-N 3.35Å; W397-W477 AromaticContact CH2-CH2 3.47Å; W397-W477 HydrophobicContact CH2-CH2 3.47Å; W397-W477 VanDerWaalsContact CH2-CH2 3.47Å; W397-W477 AromaticContact CH2-CZ2 3.43Å; W397-W477 HydrophobicContact CH2-CZ2 3.43Å; W397-W477 VanDerWaalsContact CH2-CZ2 3.43Å; W397-W477 HydrophobicContact CH2-CZ3 4.37Å; W397-W477 AromaticContact CZ2-CE2 3.96Å; W397-W477 AromaticContact CZ2-CH2 3.87Å; W397-W477 HydrophobicContact CZ2-CH2 3.87Å; W397-W477 AromaticContact CZ2-CZ2 3.49Å; W397-W477 HydrophobicContact CZ2-CZ2 3.49Å; W397-W477 VanDerWaalsContact CZ2-CZ2 3.49Å; W397-Y478 WeakPolarHBondContact CZ2-O 3.32Å; W397-R479 HydrophobicContact CH2-CB 4.19Å; W397-R479 HydrophobicContact CH2-CG 3.76Å; W397-R479 HydrophobicContact CZ3-CG 4.04Å; W397-G480 VanDerWaalsContact CE2-N 3.29Å; W397-G480 VanDerWaalsContact CZ2-N 3.3Å; W397-G481 VanDerWaalsContact CD1-N 3.25Å; W397-G481 VanDerWaalsContact NE1-N 3.15Å; W397-Y501 WeakPolarHBondContact CB-OH 3.39Å; W397-Y501 AromaticContact CD1-CE1 3.88Å; W397-Y501 AromaticContact CD1-CZ 3.8Å; W397-Y501 PolarHBondContact N-OH 3.26Å; W397-S502 PolarHBondContact NE1-O 2.9Å; W397-K504 HydrophobicContact CD2-CB 3.89Å; W397-K504 HydrophobicContact CD2-CD 4.27Å; W397-K504 HydrophobicContact CD2-CG 4.05Å; W397-K504 HydrophobicContact CE3-CD 4.16Å; W397-K504 HydrophobicContact CE3-CG 4.16Å; W397-K504 HydrophobicContact CG-CB 4.1Å; W397-K504 HydrophobicContact CH2-CG 4.15Å; W397-K504 HydrophobicContact CZ2-CB 4.07Å; W397-K504 HydrophobicContact CZ2-CG 4.06Å; W397-K504 HydrophobicContact CZ3-CD 4.48Å; W397-K504 HydrophobicContact CZ3-CG 4.22Å
398	S	97.3	Very high	97.8	Very high	97 Å²	97	36.9 Å²	36.9	68%	0.678	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-0.6	172.9	-54.5	0	0	0	0	112.6	D396 R400	D396-S398 PolarHBondContact O-N 3.04Å; D396-S398 VanDerWaalsContact OD1-C 3.3Å; D396-S398 VanDerWaalsContact OD1-CA 3.29Å; D396-S398 WeakPolarHBondContact OD1-CA 3.26Å; D396-S398 WeakPolarHBondContact OD1-CB 3.42Å; D396-S398 PolarHBondContact OD1-N 2.88Å; S398-R400 VanDerWaalsContact C-N 3.33Å
399	G	96.6	Very high	97.9	Very high	42 Å²	42	36.6 Å²	36.6	43%	0.433	19%	0.191	S	C	.	.			trans	80.9	6.7	-177.8	0	0	0	0	0	114.6	D396 W397 K401	D396-G399 PolarHBondContact O-N 2.74Å; D396-G399 PolarHBondContact OD1-N 2.94Å; W397-G399 VanDerWaalsContact C-N 3.35Å; G399-K401 PolarHBondContact O-N 3.05Å
400	R	97.9	Very high	97.9	Very high	150 Å²	150	40.1 Å²	40.1	57%	0.566	20%	0.203	S	C	*	.			trans	-71.3	129	173.6	-177.1	-179.1	-72.6	-173.6	-2.4	108.7	D396 S398 F496	D396-R400 PolarHBondContact N-O 3.5Å; D396-R400 PolarHBondContact OD1-N 2.82Å; S398-R400 VanDerWaalsContact C-N 3.33Å; R400-F496 HydrophobicContact CB-CZ 4.37Å; R400-F496 HydrophobicContact CG-CE2 4.18Å; R400-F496 HydrophobicContact CG-CZ 4.11Å
401	K	97.9	Very high	97.9	Very high	149 Å²	149	40.1 Å²	40.1	65%	0.648	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.7	177.5	-64.8	178.5	-178.8	179.6	0	110.4	L394 E395 G399	L394-K401 VanDerWaalsContact O-CA 3.28Å; L394-K401 WeakPolarHBondContact O-CA 3.47Å; E395-K401 HydrophobicContact CB-CG 4.27Å; E395-K401 HydrophobicContact CG-CG 4.05Å; E395-K401 WeakPolarHBondContact OE2-CE 3.44Å; E395-K401 IonicContact OE2-NZ 2.73Å; G399-K401 PolarHBondContact O-N 3.05Å
402	V	98.4	Very high	97.9	Very high	14 Å²	14	40.6 Å²	40.6	9%	0.085	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	164.8	174.2	-62.4	0	0	0	0	109.9	L394 N428 A429 F496	L394-V402 HydrophobicContact CB-CG2 3.86Å; L394-V402 HydrophobicContact CD1-CG2 4.09Å; L394-V402 HydrophobicContact CG-CG2 4.43Å; L394-V402 PolarHBondContact N-O 2.98Å; L394-V402 PolarHBondContact O-N 3.4Å; V402-N428 VanDerWaalsContact CA-OD1 3.25Å; V402-N428 WeakPolarHBondContact CA-OD1 3.35Å; V402-N428 WeakPolarHBondContact CB-OD1 3.37Å; V402-A429 HydrophobicContact CB-CB 3.94Å; V402-A429 HydrophobicContact CG2-CB 3.58Å; V402-F496 HydrophobicContact CB-CE2 4.42Å; V402-F496 HydrophobicContact CG1-CD2 3.96Å; V402-F496 HydrophobicContact CG1-CE2 3.62Å; V402-F496 HydrophobicContact CG1-CZ 4.04Å; V402-F496 HydrophobicContact CG2-CB 4.39Å; V402-F496 HydrophobicContact CG2-CD1 3.53Å; V402-F496 HydrophobicContact CG2-CD2 3.78Å; V402-F496 HydrophobicContact CG2-CE1 3.62Å; V402-F496 HydrophobicContact CG2-CE2 3.87Å; V402-F496 HydrophobicContact CG2-CG 3.63Å; V402-F496 HydrophobicContact CG2-CZ 3.81Å
403	F	98.4	Very high	97.9	Very high	66 Å²	66	42.8 Å²	42.8	29%	0.289	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	156.6	178.6	76.5	-81.5	0	0	0	113.2	L391 I392 T393 E405 H426 G427 N428 A429	L391-F403 HydrophobicContact CD1-CB 3.97Å; L391-F403 HydrophobicContact CD1-CD2 3.78Å; L391-F403 HydrophobicContact CD1-CG 4.27Å; I392-F403 CarbonylContact O-C 3.6Å; I392-F403 WeakPolarHBondContact O-CA 3.38Å; I392-F403 WeakPolarHBondContact O-CB 3.39Å; T393-F403 HydrophobicContact CG2-CB 4.46Å; F403-E405 HydrophobicContact CD2-CB 4.45Å; F403-E405 HydrophobicContact CE2-CB 4.47Å; F403-H426 AromaticContact CE2-CE1 3.92Å; F403-H426 AromaticContact CE2-ND1 3.95Å; F403-H426 AromaticContact CZ-CE1 3.85Å; F403-G427 WeakPolarHBondContact O-CA 3.38Å; F403-N428 VanDerWaalsContact CD1-OD1 3.31Å; F403-N428 WeakPolarHBondContact CD1-OD1 3.44Å; F403-N428 PolarHBondContact N-OD1 3.16Å; F403-N428 PolarHBondContact O-N 3.36Å; F403-A429 VanDerWaalsContact O-CB 3.3Å; F403-A429 WeakPolarHBondContact O-CB 3.38Å; F403-A429 PolarHBondContact O-N 2.85Å
404	A	98.4	Very high	97.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	119.7	169.2	0	0	0	0	0	108.5	I392 Y406 Y425 A429 W493	I392-A404 HydrophobicContact CB-CB 4.41Å; I392-A404 PolarHBondContact N-O 3.16Å; I392-A404 PolarHBondContact O-N 3.29Å; A404-Y406 HydrophobicContact CB-CE2 3.87Å; A404-Y425 HydrophobicContact CB-CD2 4.4Å; A404-Y425 HydrophobicContact CB-CE2 3.69Å; A404-A429 HydrophobicContact CB-CB 4.31Å; A404-W493 HydrophobicContact CB-CH2 3.89Å; A404-W493 HydrophobicContact CB-CZ2 3.6Å
405	E	97.9	Very high	97.8	Very high	42 Å²	42	48.3 Å²	48.3	20%	0.196	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136.9	172.9	-174.9	165.4	114.7	0	0	110.1	K389 L390 L391 F403 Y425 H426	K389-E405 HydrophobicContact CD-CG 4.3Å; K389-E405 WeakPolarHBondContact CD-OE1 3.46Å; K389-E405 IonicContact NZ-OE1 2.86Å; K389-E405 PolarHBondContact NZ-OE1 3.45Å; K389-E405 IonicContact NZ-OE2 3.48Å; K389-E405 PolarHBondContact NZ-OE2 2.85Å; L390-E405 CarbonylContact O-C 3.22Å; L390-E405 VanDerWaalsContact O-CA 3.29Å; L390-E405 WeakPolarHBondContact O-CA 3.37Å; L391-E405 HydrophobicContact CD1-CB 4.24Å; F403-E405 HydrophobicContact CD2-CB 4.45Å; F403-E405 HydrophobicContact CE2-CB 4.47Å; E405-Y425 CarbonylContact O-C 3.54Å; E405-Y425 WeakPolarHBondContact O-CA 3.42Å; E405-H426 WeakPolarHBondContact CA-O 3.27Å; E405-H426 WeakPolarHBondContact CB-O 3.46Å; E405-H426 PolarHBondContact N-O 2.77Å; E405-H426 PolarHBondContact O-N 3.35Å
406	Y	97.9	Very high	97.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.2	174	-60.9	-92.6	0	0	0	108.4	K389 L390 I392 A404 S408 V422 R424 Y425 D431 L433 W493	K389-Y406 WeakPolarHBondContact CA-O 3.24Å; K389-Y406 WeakPolarHBondContact CB-O 3.41Å; L390-Y406 HydrophobicContact CD2-CD2 4.15Å; L390-Y406 HydrophobicContact CG-CD2 4.45Å; L390-Y406 PolarHBondContact N-O 3Å; L390-Y406 PolarHBondContact O-N 2.93Å; I392-Y406 HydrophobicContact CD1-CE2 4.27Å; A404-Y406 HydrophobicContact CB-CE2 3.87Å; Y406-S408 PolarHBondContact O-N 2.87Å; Y406-S408 VanDerWaalsContact O-N 3.15Å; Y406-V422 HydrophobicContact CD1-CB 4.09Å; Y406-V422 HydrophobicContact CD1-CG1 4.47Å; Y406-V422 HydrophobicContact CD1-CG2 4.5Å; Y406-V422 HydrophobicContact CG-CB 4.43Å; Y406-V422 HydrophobicContact CG-CG1 4.43Å; Y406-R424 WeakPolarHBondContact CA-O 3.42Å; Y406-Y425 HydrophobicContact CD1-CD2 4.46Å; Y406-Y425 AromaticContact CE1-CD2 3.72Å; Y406-Y425 HydrophobicContact CE1-CD2 3.72Å; Y406-Y425 HydrophobicContact CE1-CG 4.33Å; Y406-Y425 HydrophobicContact CE2-CD2 4.32Å; Y406-Y425 AromaticContact CZ-CD2 3.61Å; Y406-Y425 WeakPolarHBondContact OH-CD2 3.17Å; Y406-D431 PolarHBondContact OH-OD1 3Å; Y406-L433 HydrophobicContact CD2-CD2 4.11Å; Y406-L433 HydrophobicContact CE1-CB 4.09Å; Y406-L433 HydrophobicContact CE2-CB 4.02Å; Y406-L433 HydrophobicContact CE2-CD2 3.83Å; Y406-L433 VanDerWaalsContact OH-CB 3.3Å; Y406-L433 WeakPolarHBondContact OH-CB 3.43Å; Y406-W493 HydrophobicContact CE2-CH2 4.29Å; Y406-W493 WeakPolarHBondContact OH-CH2 3.34Å
407	A	96.4	Very high	97.8	Very high	27 Å²	27	53.8 Å²	53.8	22%	0.223	28%	0.283	C	S	.	.	S	Bend	trans	-62.2	-26.3	-170.3	0	0	0	0	0	113.7	R424 N513 T516	A407-R424 HydrophobicContact CB-CB 4.41Å; A407-R424 PolarHBondContact N-O 2.95Å; A407-N513 PolarHBondContact O-ND2 3.15Å; A407-T516 HydrophobicContact CB-CG2 3.79Å
408	S	96.4	Very high	97.8	Very high	27 Å²	27	50.4 Å²	50.4	19%	0.189	27%	0.27	C	S	.	.			trans	-132.2	141.4	170.5	179.3	0	0	0	0	109.4	Y388 Y406 V422 G423	Y388-S408 CarbonylContact O-C 3.36Å; Y388-S408 VanDerWaalsContact O-CA 3.26Å; Y388-S408 WeakPolarHBondContact O-CA 3.26Å; Y406-S408 PolarHBondContact O-N 2.87Å; Y406-S408 VanDerWaalsContact O-N 3.15Å; S408-V422 CarbonylContact O-C 3.56Å; S408-V422 WeakPolarHBondContact O-CA 3.4Å; S408-G423 PolarHBondContact O-N 3.07Å
409	F	97.9	Very high	97.9	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	121.8	173.1	169.5	-100.2	0	0	0	109.4	I344 I379 T383 Y388 L390 V411 L420 R421 V422 W464 I510	I344-F409 HydrophobicContact CD1-CE1 3.82Å; I344-F409 HydrophobicContact CD1-CZ 3.87Å; I379-F409 HydrophobicContact CG2-CE1 3.79Å; I379-F409 HydrophobicContact CG2-CZ 4.06Å; T383-F409 HydrophobicContact CG2-CD1 3.64Å; T383-F409 HydrophobicContact CG2-CE1 3.73Å; Y388-F409 PolarHBondContact O-N 2.97Å; L390-F409 HydrophobicContact CB-CB 3.49Å; L390-F409 VanDerWaalsContact CB-CB 3.49Å; L390-F409 HydrophobicContact CB-CD1 4.28Å; L390-F409 HydrophobicContact CB-CD2 4.11Å; L390-F409 HydrophobicContact CB-CG 3.71Å; L390-F409 HydrophobicContact CD2-CD2 3.59Å; L390-F409 HydrophobicContact CD2-CE2 3.92Å; L390-F409 HydrophobicContact CD2-CG 4.09Å; L390-F409 HydrophobicContact CG-CD2 4.37Å; L390-F409 HydrophobicContact CG-CG 4.4Å; F409-V411 HydrophobicContact CE1-CG2 4.29Å; F409-V411 HydrophobicContact CE2-CG2 4.46Å; F409-V411 HydrophobicContact CZ-CG2 3.88Å; F409-L420 HydrophobicContact CD2-CD1 3.76Å; F409-L420 HydrophobicContact CE2-CD1 3.44Å; F409-L420 VanDerWaalsContact CE2-CD1 3.44Å; F409-R421 WeakPolarHBondContact CA-O 3.35Å; F409-V422 HydrophobicContact CD2-CG1 4.04Å; F409-W464 HydrophobicContact CE2-CH2 4.3Å; F409-W464 HydrophobicContact CZ-CH2 4.27Å; F409-I510 HydrophobicContact CD1-CG2 3.59Å; F409-I510 HydrophobicContact CE1-CG2 3.8Å
410	R	97.6	Very high	98	Very high	99 Å²	99	46.8 Å²	46.8	37%	0.374	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	147.2	175.9	177.6	175.5	122.4	148	0.1	110.8	N384 E412 R421	N384-R410 WeakPolarHBondContact OD1-CD 3.34Å; N384-R410 VanDerWaalsContact OD1-CZ 3.27Å; N384-R410 PolarHBondContact OD1-NE 3.07Å; N384-R410 PolarHBondContact OD1-NH1 3.06Å; R410-E412 IonicContact CZ-OE1 2.81Å; R410-E412 IonicContact CZ-OE2 3.98Å; R410-E412 IonicContact NE-OE1 3.73Å; R410-E412 PolarHBondContact NE-OE1 2.79Å; R410-E412 IonicContact NE-OE2 3.52Å; R410-E412 VanDerWaalsContact NH2-CD 3.35Å; R410-E412 IonicContact NH2-OE1 3.9Å; R410-E412 PolarHBondContact NH2-OE1 2.61Å; R410-E412 IonicContact NH2-OE2 2.7Å; R410-E412 PolarHBondContact NH2-OE2 3.05Å; R410-R421 HydrophobicContact CB-CB 4.17Å; R410-R421 PolarHBondContact N-O 3.49Å; R410-R421 PolarHBondContact O-N 2.68Å
411	V	98.3	Very high	98	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134	170.5	-179.1	0	0	0	0	107.6	I379 Y380 T383 N384 F409 Y418 W464	I379-V411 HydrophobicContact CG2-CB 4.48Å; I379-V411 HydrophobicContact CG2-CG2 3.68Å; Y380-V411 WeakPolarHBondContact CD2-O 3.43Å; T383-V411 PolarHBondContact OG1-N 3.26Å; N384-V411 PolarHBondContact ND2-O 2.86Å; F409-V411 HydrophobicContact CE1-CG2 4.29Å; F409-V411 HydrophobicContact CE2-CG2 4.46Å; F409-V411 HydrophobicContact CZ-CG2 3.88Å; V411-Y418 HydrophobicContact CG1-CD1 3.92Å; V411-Y418 HydrophobicContact CG1-CG 4.25Å; V411-W464 HydrophobicContact CG2-CZ2 3.93Å
412	E	98.3	Very high	98	Very high	19 Å²	19	38.1 Å²	38.1	9%	0.089	19%	0.193	C	C	.	.			trans	-75.4	167.7	174.8	-62.6	-57.2	163.3	0	0	111.4	Y380 R410 D416 Y418 R419 R421	Y380-E412 WeakPolarHBondContact CD2-O 3.28Å; R410-E412 IonicContact CZ-OE1 2.81Å; R410-E412 IonicContact CZ-OE2 3.98Å; R410-E412 IonicContact NE-OE1 3.73Å; R410-E412 PolarHBondContact NE-OE1 2.79Å; R410-E412 IonicContact NE-OE2 3.52Å; R410-E412 VanDerWaalsContact NH2-CD 3.35Å; R410-E412 IonicContact NH2-OE1 3.9Å; R410-E412 PolarHBondContact NH2-OE1 2.61Å; R410-E412 IonicContact NH2-OE2 2.7Å; R410-E412 PolarHBondContact NH2-OE2 3.05Å; E412-D416 HydrophobicContact CB-CB 4.14Å; E412-Y418 WeakPolarHBondContact O-CA 3.27Å; E412-Y418 WeakPolarHBondContact O-CD1 3.41Å; E412-R419 HydrophobicContact CB-CB 3.99Å; E412-R419 HydrophobicContact CG-CB 3.83Å; E412-R419 WeakPolarHBondContact CG-O 3.36Å; E412-R419 PolarHBondContact N-O 3.1Å; E412-R421 HydrophobicContact CG-CG 4.34Å; E412-R421 WeakPolarHBondContact OE1-CG 3.34Å; E412-R421 IonicContact OE1-CZ 2.76Å; E412-R421 IonicContact OE1-NE 3.36Å; E412-R421 PolarHBondContact OE1-NE 3.04Å; E412-R421 IonicContact OE1-NH2 2.63Å
413	P	97.8	Very high	97.8	Very high	45 Å²	45	38.8 Å²	38.8	29%	0.292	20%	0.202	S	C	.	.			trans	-67.1	169.1	177.9	26.6	-35.7	0	0	0	113.1	Y380 A415 D416 Y417 Y418	Y380-P413 HydrophobicContact CD2-CB 4.33Å; Y380-P413 HydrophobicContact CE2-CB 3.74Å; Y380-P413 HydrophobicContact CE2-CG 4.3Å; P413-A415 PolarHBondContact O-N 3.27Å; P413-A415 VanDerWaalsContact O-N 3.11Å; P413-D416 CarbonylContact O-C 3.38Å; P413-D416 PolarHBondContact O-N 3.3Å; P413-Y417 PolarHBondContact O-N 3.42Å; P413-Y418 PolarHBondContact O-N 3.06Å; P413-Y418 VanDerWaalsContact O-N 3.17Å
414	E	97.8	Very high	97.7	Very high	56 Å²	56	46 Å²	46	26%	0.262	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-56.5	-28.9	175.4	-171	169.8	-153	0	0	112.9	W358 K362 D416 Y417 Y418 R446	W358-E414 HydrophobicContact CZ2-CG 4.2Å; W358-E414 PolarHBondContact NE1-OE1 2.89Å; K362-E414 WeakPolarHBondContact CE-OE2 3.2Å; K362-E414 IonicContact NZ-OE1 3.98Å; K362-E414 IonicContact NZ-OE2 2.7Å; K362-E414 PolarHBondContact NZ-OE2 3.37Å; E414-D416 PolarHBondContact O-N 2.86Å; E414-Y417 WeakPolarHBondContact O-CA 3.19Å; E414-Y417 PolarHBondContact O-N 3.4Å; E414-Y418 HydrophobicContact CB-CD2 4.47Å; E414-Y418 HydrophobicContact CB-CE1 4.19Å; E414-Y418 HydrophobicContact CB-CE2 3.78Å; E414-Y418 HydrophobicContact CG-CD2 4.47Å; E414-Y418 HydrophobicContact CG-CE2 3.76Å; E414-R446 IonicContact OE1-NH1 2.65Å; E414-R446 PolarHBondContact OE1-NH1 3.49Å
415	A	97.9	Very high	97.7	Very high	92 Å²	92	48.6 Å²	48.6	76%	0.76	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-64.5	-21.7	176.1	0	0	0	0	0	114.1	P413	P413-A415 PolarHBondContact O-N 3.27Å; P413-A415 VanDerWaalsContact O-N 3.11Å
416	D	98.1	Very high	97.6	Very high	40 Å²	40	52.2 Å²	52.2	21%	0.214	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-114	35.1	165.9	-171	24.9	0	0	0	110.6	E412 P413 E414 Y418 R419 Q440	E412-D416 HydrophobicContact CB-CB 4.14Å; P413-D416 CarbonylContact O-C 3.38Å; P413-D416 PolarHBondContact O-N 3.3Å; E414-D416 PolarHBondContact O-N 2.86Å; D416-Y418 PolarHBondContact O-N 3.47Å; D416-R419 WeakPolarHBondContact O-CB 3.27Å; D416-R419 PolarHBondContact O-N 3.27Å; D416-R419 IonicContact OD1-CZ 3.84Å; D416-R419 IonicContact OD1-NE 3.87Å; D416-R419 PolarHBondContact OD1-NE 2.86Å; D416-R419 IonicContact OD1-NH2 3.92Å; D416-R419 PolarHBondContact OD1-NH2 2.99Å; D416-R419 IonicContact OD2-CZ 2.93Å; D416-R419 IonicContact OD2-NE 3.83Å; D416-R419 PolarHBondContact OD2-NE 3.26Å; D416-R419 IonicContact OD2-NH2 2.65Å; D416-Q440 PolarHBondContact OD1-NE2 2.94Å; D416-Q440 VanDerWaalsContact OD1-NE2 3.12Å
417	Y	98.4	Very high	97.5	Very high	93 Å²	93	53.4 Å²	53.4	37%	0.365	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	36.9	170.9	-51	-83.4	0	0	0	114	W358 P413 E414 R419 Q440 F441 H448	W358-Y417 HydrophobicContact CH2-CD1 4.47Å; P413-Y417 PolarHBondContact O-N 3.42Å; E414-Y417 WeakPolarHBondContact O-CA 3.19Å; E414-Y417 PolarHBondContact O-N 3.4Å; Y417-R419 VanDerWaalsContact C-N 3.27Å; Y417-R419 PolarHBondContact O-N 2.82Å; Y417-Q440 HydrophobicContact CD2-CG 4.4Å; Y417-F441 WeakPolarHBondContact O-CB 3.32Å; Y417-F441 PolarHBondContact O-N 3.05Å; Y417-H448 AromaticContact CD1-CD2 3.86Å; Y417-H448 AromaticContact CD1-CE1 3.31Å; Y417-H448 WeakPolarHBondContact CD1-CE1 3.46Å; Y417-H448 AromaticContact CD1-ND1 3.87Å; Y417-H448 AromaticContact CD1-NE2 3.3Å; Y417-H448 VanDerWaalsContact CD1-NE2 3.3Å; Y417-H448 WeakPolarHBondContact CD1-NE2 3.32Å; Y417-H448 AromaticContact CE1-CD2 3.99Å; Y417-H448 AromaticContact CE1-CE1 3.88Å; Y417-H448 AromaticContact CE1-NE2 3.38Å; Y417-H448 WeakPolarHBondContact CE1-NE2 3.49Å
418	Y	98.7	Very high	97.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	40	-177.2	-58.2	-74.3	0	0	0	113.8	W358 K362 L376 E377 V411 E412 P413 E414 D416 L420 W464	W358-Y418 AromaticContact CH2-CD2 3.96Å; W358-Y418 HydrophobicContact CH2-CD2 3.96Å; W358-Y418 AromaticContact CZ2-CD2 3.55Å; W358-Y418 HydrophobicContact CZ2-CD2 3.55Å; W358-Y418 AromaticContact CZ2-CE2 3.71Å; W358-Y418 HydrophobicContact CZ2-CE2 3.71Å; K362-Y418 WeakPolarHBondContact CD-OH 3.34Å; K362-Y418 WeakPolarHBondContact CE-OH 3.29Å; K362-Y418 WeakPolarHBondContact CG-OH 3.35Å; L376-Y418 HydrophobicContact CB-CD1 3.78Å; L376-Y418 HydrophobicContact CB-CD2 3.78Å; L376-Y418 HydrophobicContact CB-CE1 3.87Å; L376-Y418 HydrophobicContact CB-CE2 3.86Å; L376-Y418 HydrophobicContact CB-CG 3.72Å; L376-Y418 HydrophobicContact CD1-CD2 3.68Å; L376-Y418 HydrophobicContact CD1-CE2 4.09Å; L376-Y418 HydrophobicContact CD1-CG 4.18Å; L376-Y418 HydrophobicContact CD2-CG 4.23Å; L376-Y418 HydrophobicContact CG-CD2 4.21Å; L376-Y418 HydrophobicContact CG-CG 4.26Å; E377-Y418 PolarHBondContact OE2-OH 3.33Å; V411-Y418 HydrophobicContact CG1-CD1 3.92Å; V411-Y418 HydrophobicContact CG1-CG 4.25Å; E412-Y418 WeakPolarHBondContact O-CA 3.27Å; E412-Y418 WeakPolarHBondContact O-CD1 3.41Å; P413-Y418 PolarHBondContact O-N 3.06Å; P413-Y418 VanDerWaalsContact O-N 3.17Å; E414-Y418 HydrophobicContact CB-CD2 4.47Å; E414-Y418 HydrophobicContact CB-CE1 4.19Å; E414-Y418 HydrophobicContact CB-CE2 3.78Å; E414-Y418 HydrophobicContact CG-CD2 4.47Å; E414-Y418 HydrophobicContact CG-CE2 3.76Å; D416-Y418 PolarHBondContact O-N 3.47Å; Y418-L420 PolarHBondContact O-N 3.46Å; Y418-W464 PolarHBondContact O-NE1 3.35Å
419	R	98.7	Very high	97.6	Very high	62 Å²	62	55.6 Å²	55.6	23%	0.234	27%	0.273	C	S	.	.			trans	-50.6	136.6	179.7	-170.9	-168.2	-59.4	-89.2	-0.3	112.5	E412 D416 Y417 G438 K439 Q440	E412-R419 HydrophobicContact CB-CB 3.99Å; E412-R419 HydrophobicContact CG-CB 3.83Å; E412-R419 WeakPolarHBondContact CG-O 3.36Å; E412-R419 PolarHBondContact N-O 3.1Å; D416-R419 WeakPolarHBondContact O-CB 3.27Å; D416-R419 PolarHBondContact O-N 3.27Å; D416-R419 IonicContact OD1-CZ 3.84Å; D416-R419 IonicContact OD1-NE 3.87Å; D416-R419 PolarHBondContact OD1-NE 2.86Å; D416-R419 IonicContact OD1-NH2 3.92Å; D416-R419 PolarHBondContact OD1-NH2 2.99Å; D416-R419 IonicContact OD2-CZ 2.93Å; D416-R419 IonicContact OD2-NE 3.83Å; D416-R419 PolarHBondContact OD2-NE 3.26Å; D416-R419 IonicContact OD2-NH2 2.65Å; Y417-R419 VanDerWaalsContact C-N 3.27Å; Y417-R419 PolarHBondContact O-N 2.82Å; R419-G438 VanDerWaalsContact CD-O 3.32Å; R419-G438 WeakPolarHBondContact CD-O 3.38Å; R419-G438 VanDerWaalsContact CG-C 3.48Å; R419-G438 WeakPolarHBondContact CG-O 3.48Å; R419-G438 PolarHBondContact NH1-O 3.04Å; R419-K439 VanDerWaalsContact CA-O 3.31Å; R419-K439 WeakPolarHBondContact CA-O 3.22Å; R419-K439 WeakPolarHBondContact CG-O 3.47Å; R419-Q440 HydrophobicContact CB-CG 4.29Å; R419-Q440 HydrophobicContact CG-CG 4.45Å
420	L	98.6	Very high	97.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	135.1	176.7	-178.6	60.5	0	0	0	111.6	F409 Y418 V422 L433 H436 G438 K439 W464	F409-L420 HydrophobicContact CD2-CD1 3.76Å; F409-L420 HydrophobicContact CE2-CD1 3.44Å; F409-L420 VanDerWaalsContact CE2-CD1 3.44Å; Y418-L420 PolarHBondContact O-N 3.46Å; L420-V422 HydrophobicContact CD1-CG1 3.86Å; L420-V422 HydrophobicContact CD2-CG1 4.23Å; L420-V422 HydrophobicContact CG-CG1 4.06Å; L420-L433 HydrophobicContact CD2-CD1 4.16Å; L420-L433 HydrophobicContact CD2-CG 4.22Å; L420-H436 HydrophobicContact CD2-CB 3.99Å; L420-G438 VanDerWaalsContact O-CA 3.26Å; L420-G438 WeakPolarHBondContact O-CA 3.33Å; L420-G438 PolarHBondContact O-N 2.72Å; L420-K439 PolarHBondContact N-O 2.9Å; L420-W464 HydrophobicContact CB-CB 4.15Å; L420-W464 HydrophobicContact CB-CD2 3.86Å; L420-W464 HydrophobicContact CB-CG 3.61Å; L420-W464 HydrophobicContact CD1-CD2 4.28Å; L420-W464 HydrophobicContact CD1-CE3 4.42Å; L420-W464 HydrophobicContact CD1-CH2 4.44Å; L420-W464 HydrophobicContact CD1-CZ2 4.3Å; L420-W464 HydrophobicContact CD1-CZ3 4.5Å; L420-W464 HydrophobicContact CD2-CB 4.27Å; L420-W464 HydrophobicContact CD2-CD2 4.06Å; L420-W464 HydrophobicContact CD2-CE3 4.06Å; L420-W464 HydrophobicContact CD2-CG 4.18Å; L420-W464 HydrophobicContact CG-CD2 4.29Å; L420-W464 HydrophobicContact CG-CG 4.41Å
421	R	98.3	Very high	97.7	Very high	106 Å²	106	53.3 Å²	53.3	40%	0.4	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.7	162.8	-55.6	-62.3	-174	-179.5	-3.2	108.8	F409 R410 E412 N437	F409-R421 WeakPolarHBondContact CA-O 3.35Å; R410-R421 HydrophobicContact CB-CB 4.17Å; R410-R421 PolarHBondContact N-O 3.49Å; R410-R421 PolarHBondContact O-N 2.68Å; E412-R421 HydrophobicContact CG-CG 4.34Å; E412-R421 WeakPolarHBondContact OE1-CG 3.34Å; E412-R421 IonicContact OE1-CZ 2.76Å; E412-R421 IonicContact OE1-NE 3.36Å; E412-R421 PolarHBondContact OE1-NE 3.04Å; E412-R421 IonicContact OE1-NH2 2.63Å; R421-N437 WeakPolarHBondContact CA-OD1 3.41Å
422	V	97.4	Very high	97.6	Very high	12 Å²	12	53.3 Å²	53.3	7%	0.073	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.6	170.5	-71.3	0	0	0	0	111.4	Y406 S408 F409 L420 L433 N437	Y406-V422 HydrophobicContact CD1-CB 4.09Å; Y406-V422 HydrophobicContact CD1-CG1 4.47Å; Y406-V422 HydrophobicContact CD1-CG2 4.5Å; Y406-V422 HydrophobicContact CG-CB 4.43Å; Y406-V422 HydrophobicContact CG-CG1 4.43Å; S408-V422 CarbonylContact O-C 3.56Å; S408-V422 WeakPolarHBondContact O-CA 3.4Å; F409-V422 HydrophobicContact CD2-CG1 4.04Å; L420-V422 HydrophobicContact CD1-CG1 3.86Å; L420-V422 HydrophobicContact CD2-CG1 4.23Å; L420-V422 HydrophobicContact CG-CG1 4.06Å; V422-L433 HydrophobicContact CG1-CD2 4.01Å; V422-N437 HydrophobicContact CG2-CB 3.57Å; V422-N437 VanDerWaalsContact CG2-CG 3.42Å; V422-N437 PolarHBondContact N-OD1 3.4Å; V422-N437 PolarHBondContact O-ND2 3.36Å
423	G	95.4	Very high	97.6	Very high	27 Å²	27	52.4 Å²	52.4	28%	0.278	27%	0.268	S	S	.	.			trans	-92.2	-159.9	174.4	0	0	0	0	0	112.9	S408 Y425	S408-G423 PolarHBondContact O-N 3.07Å; G423-Y425 PolarHBondContact O-N 2.04Å
424	R	96.3	Very high	97.7	Very high	218 Å²	218	53 Å²	53	82%	0.823	27%	0.271	S	S	*	.			trans	-57.6	131	-177.5	-175.8	177.8	178.8	-176.7	0.7	112.6	Y406 A407	Y406-R424 WeakPolarHBondContact CA-O 3.42Å; A407-R424 HydrophobicContact CB-CB 4.41Å; A407-R424 PolarHBondContact N-O 2.95Å
425	Y	97.6	Very high	97.6	Very high	54 Å²	54	54.5 Å²	54.5	21%	0.212	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	146.2	173.1	171	-96.2	0	0	0	113.3	A404 E405 Y406 G423 G427 G430 D431	A404-Y425 HydrophobicContact CB-CD2 4.4Å; A404-Y425 HydrophobicContact CB-CE2 3.69Å; E405-Y425 CarbonylContact O-C 3.54Å; E405-Y425 WeakPolarHBondContact O-CA 3.42Å; Y406-Y425 HydrophobicContact CD1-CD2 4.46Å; Y406-Y425 AromaticContact CE1-CD2 3.72Å; Y406-Y425 HydrophobicContact CE1-CD2 3.72Å; Y406-Y425 HydrophobicContact CE1-CG 4.33Å; Y406-Y425 HydrophobicContact CE2-CD2 4.32Å; Y406-Y425 AromaticContact CZ-CD2 3.61Å; Y406-Y425 WeakPolarHBondContact OH-CD2 3.17Å; G423-Y425 PolarHBondContact O-N 2.04Å; Y425-G427 VanDerWaalsContact OH-C 3.31Å; Y425-G427 PolarHBondContact OH-O 2.82Å; Y425-G430 WeakPolarHBondContact CE2-O 3.42Å; Y425-G430 VanDerWaalsContact CZ-C 3.47Å; Y425-G430 VanDerWaalsContact OH-CA 3.22Å; Y425-G430 WeakPolarHBondContact OH-CA 3.47Å; Y425-G430 PolarHBondContact OH-N 3.38Å; Y425-G430 PolarHBondContact OH-O 2.93Å; Y425-D431 WeakPolarHBondContact CB-OD2 3.26Å; Y425-D431 HydrophobicContact CD1-CB 3.97Å; Y425-D431 HydrophobicContact CD2-CB 3.79Å; Y425-D431 HydrophobicContact CE1-CB 4.17Å; Y425-D431 HydrophobicContact CE2-CB 3.95Å; Y425-D431 HydrophobicContact CG-CB 3.77Å
426	H	95.9	Very high	97.7	Very high	118 Å²	118	50.1 Å²	50.1	55%	0.546	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	133.7	162.5	162.2	-103	0	0	0	109.8	F403 E405	F403-H426 AromaticContact CE2-CE1 3.92Å; F403-H426 AromaticContact CE2-ND1 3.95Å; F403-H426 AromaticContact CZ-CE1 3.85Å; E405-H426 WeakPolarHBondContact CA-O 3.27Å; E405-H426 WeakPolarHBondContact CB-O 3.46Å; E405-H426 PolarHBondContact N-O 2.77Å; E405-H426 PolarHBondContact O-N 3.35Å
427	G	96.7	Very high	97.7	Very high	26 Å²	26	51.2 Å²	51.2	27%	0.268	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	168.2	-175.2	175.8	0	0	0	0	0	114.1	F403 Y425	F403-G427 WeakPolarHBondContact O-CA 3.38Å; Y425-G427 VanDerWaalsContact OH-C 3.31Å; Y425-G427 PolarHBondContact OH-O 2.82Å
428	N	97.7	Very high	97.7	Very high	97 Å²	97	47.7 Å²	47.7	52%	0.519	24%	0.235	S	C	.	.	S	Bend	trans	-118.4	4.5	176.5	70.7	-7.2	0	0	0	113.7	V402 F403	V402-N428 VanDerWaalsContact CA-OD1 3.25Å; V402-N428 WeakPolarHBondContact CA-OD1 3.35Å; V402-N428 WeakPolarHBondContact CB-OD1 3.37Å; F403-N428 VanDerWaalsContact CD1-OD1 3.31Å; F403-N428 WeakPolarHBondContact CD1-OD1 3.44Å; F403-N428 PolarHBondContact N-OD1 3.16Å; F403-N428 PolarHBondContact O-N 3.36Å
429	A	97.1	Very high	97.7	Very high	2 Å²	2	50.4 Å²	50.4	2%	0.017	25%	0.247	C	C	.	.	S	Bend	trans	-83.1	-9.2	172.8	0	0	0	0	0	114	L394 V402 F403 A404 W493	L394-A429 HydrophobicContact CD1-CB 4.03Å; V402-A429 HydrophobicContact CB-CB 3.94Å; V402-A429 HydrophobicContact CG2-CB 3.58Å; F403-A429 VanDerWaalsContact O-CB 3.3Å; F403-A429 WeakPolarHBondContact O-CB 3.38Å; F403-A429 PolarHBondContact O-N 2.85Å; A404-A429 HydrophobicContact CB-CB 4.31Å; A429-W493 PolarHBondContact O-NE1 3.19Å
430	G	97.8	Very high	97.6	Very high	16 Å²	16	49.5 Å²	49.5	17%	0.165	25%	0.246	C	C	.	.			trans	74.2	168	-159.9	0	0	0	0	0	112.8	Y425 W493 E495	Y425-G430 WeakPolarHBondContact CE2-O 3.42Å; Y425-G430 VanDerWaalsContact CZ-C 3.47Å; Y425-G430 VanDerWaalsContact OH-CA 3.22Å; Y425-G430 WeakPolarHBondContact OH-CA 3.47Å; Y425-G430 PolarHBondContact OH-N 3.38Å; Y425-G430 PolarHBondContact OH-O 2.93Å; G430-W493 VanDerWaalsContact O-CZ2 3.3Å; G430-W493 WeakPolarHBondContact O-CZ2 3.48Å; G430-W493 PolarHBondContact O-NE1 2.67Å; G430-E495 VanDerWaalsContact C-OE2 3.24Å; G430-E495 WeakPolarHBondContact CA-OE2 3.42Å
431	D	98.1	Very high	97.7	Very high	37 Å²	37	49.5 Å²	49.5	20%	0.198	25%	0.246	C	C	.	.			trans	-102.8	90	-176.5	-173	-9.1	0	0	0	111.7	Y406 Y425 L433 T434 E495	Y406-D431 PolarHBondContact OH-OD1 3Å; Y425-D431 WeakPolarHBondContact CB-OD2 3.26Å; Y425-D431 HydrophobicContact CD1-CB 3.97Å; Y425-D431 HydrophobicContact CD2-CB 3.79Å; Y425-D431 HydrophobicContact CE1-CB 4.17Å; Y425-D431 HydrophobicContact CE2-CB 3.95Å; Y425-D431 HydrophobicContact CG-CB 3.77Å; D431-L433 PolarHBondContact OD1-N 3.19Å; D431-L433 VanDerWaalsContact OD1-N 3.16Å; D431-T434 VanDerWaalsContact CG-OG1 3.24Å; D431-T434 WeakPolarHBondContact OD1-CB 3.3Å; D431-T434 PolarHBondContact OD1-N 3.14Å; D431-T434 PolarHBondContact OD1-OG1 2.86Å; D431-T434 VanDerWaalsContact OD1-OG1 3.13Å; D431-T434 WeakPolarHBondContact OD2-CB 3.31Å; D431-T434 PolarHBondContact OD2-OG1 2.79Å; D431-E495 PolarHBondContact N-OE2 3Å
432	S	98.1	Very high	97.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.			trans	-104.4	17	174.5	-54.9	0	0	0	0	113.8	H436 H470 S471 W493 A494 E495	S432-H436 PolarHBondContact O-CD2 3.34Å; S432-H470 WeakPolarHBondContact CB-O 3.38Å; S432-H470 CarbonylContact O-C 3.53Å; S432-S471 VanDerWaalsContact O-CB 3.24Å; S432-S471 WeakPolarHBondContact O-CB 3.47Å; S432-S471 PolarHBondContact O-N 3.44Å; S432-S471 PolarHBondContact O-OG 3.13Å; S432-W493 VanDerWaalsContact N-CZ2 3.32Å; S432-W493 PolarHBondContact OG-NE1 2.91Å; S432-A494 PolarHBondContact OG-N 3.17Å; S432-E495 PolarHBondContact OG-N 3.45Å; S432-E495 VanDerWaalsContact OG-N 3.1Å
433	L	98.3	Very high	97.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-116.6	-28.5	175.9	-166.6	68.9	0	0	0	113.6	L390 I392 Y406 L420 V422 D431 W435 H436 W463 W493	L390-L433 HydrophobicContact CD2-CD2 3.8Å; I392-L433 HydrophobicContact CD1-CD2 4.02Å; Y406-L433 HydrophobicContact CD2-CD2 4.11Å; Y406-L433 HydrophobicContact CE1-CB 4.09Å; Y406-L433 HydrophobicContact CE2-CB 4.02Å; Y406-L433 HydrophobicContact CE2-CD2 3.83Å; Y406-L433 VanDerWaalsContact OH-CB 3.3Å; Y406-L433 WeakPolarHBondContact OH-CB 3.43Å; L420-L433 HydrophobicContact CD2-CD1 4.16Å; L420-L433 HydrophobicContact CD2-CG 4.22Å; V422-L433 HydrophobicContact CG1-CD2 4.01Å; D431-L433 PolarHBondContact OD1-N 3.19Å; D431-L433 VanDerWaalsContact OD1-N 3.16Å; L433-W435 PolarHBondContact O-N 2.89Å; L433-W435 VanDerWaalsContact O-N 3.12Å; L433-H436 HydrophobicContact CD1-CB 4.25Å; L433-H436 WeakPolarHBondContact O-CA 3.33Å; L433-H436 VanDerWaalsContact O-CB 3.25Å; L433-H436 WeakPolarHBondContact O-CB 3.43Å; L433-H436 PolarHBondContact O-N 3.1Å; L433-W463 HydrophobicContact CD1-CZ2 3.7Å; L433-W493 HydrophobicContact CB-CH2 3.83Å; L433-W493 HydrophobicContact CB-CZ3 4.28Å
434	T	97.9	Very high	97.8	Very high	57 Å²	57	45 Å²	45	35%	0.35	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-59.9	-28.1	-179.5	-67.3	0	0	0	0	112.9	D431 H436 N437	D431-T434 VanDerWaalsContact CG-OG1 3.24Å; D431-T434 WeakPolarHBondContact OD1-CB 3.3Å; D431-T434 PolarHBondContact OD1-N 3.14Å; D431-T434 PolarHBondContact OD1-OG1 2.86Å; D431-T434 VanDerWaalsContact OD1-OG1 3.13Å; D431-T434 WeakPolarHBondContact OD2-CB 3.31Å; D431-T434 PolarHBondContact OD2-OG1 2.79Å; T434-H436 PolarHBondContact O-N 3.15Å; T434-N437 WeakPolarHBondContact O-CB 3.23Å; T434-N437 PolarHBondContact O-N 3.18Å
435	W	97.6	Very high	97.9	Very high	87 Å²	87	38.2 Å²	38.2	33%	0.33	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-66.2	-14.8	172.7	-167.5	70.7	0	0	0	114.6	L433 N466 S467 H470	L433-W435 PolarHBondContact O-N 2.89Å; L433-W435 VanDerWaalsContact O-N 3.12Å; W435-N466 HydrophobicContact CD2-CB 4.28Å; W435-N466 HydrophobicContact CE3-CB 3.85Å; W435-N466 HydrophobicContact CH2-CB 3.79Å; W435-N466 HydrophobicContact CZ2-CB 4.17Å; W435-N466 WeakPolarHBondContact CZ2-ND2 3.23Å; W435-N466 HydrophobicContact CZ3-CB 3.6Å; W435-N466 PolarHBondContact O-ND2 3.26Å; W435-S467 VanDerWaalsContact CH2-N 3.32Å; W435-H470 AromaticContact CD2-CD2 3.7Å; W435-H470 AromaticContact CD2-CE1 3.95Å; W435-H470 AromaticContact CD2-NE2 3.66Å; W435-H470 AromaticContact CE2-NE2 3.9Å; W435-H470 HydrophobicContact CE3-CB 4.35Å; W435-H470 AromaticContact CE3-CD2 3.43Å; W435-H470 VanDerWaalsContact CE3-CD2 3.43Å; W435-H470 AromaticContact CE3-CG 3.82Å; W435-H470 AromaticContact CE3-NE2 3.88Å; W435-H470 AromaticContact CG-CE1 3.77Å; W435-H470 AromaticContact CG-ND1 3.9Å; W435-H470 AromaticContact CG-NE2 3.98Å; W435-H470 AromaticContact CZ3-CD2 3.77Å
436	H	98.3	Very high	97.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-94.9	-3.7	173	-60.2	-97.9	0	0	0	112.7	L420 S432 L433 T434 G438 K439 W463 W464 A469 H470 S471	L420-H436 HydrophobicContact CD2-CB 3.99Å; S432-H436 PolarHBondContact O-CD2 3.34Å; L433-H436 HydrophobicContact CD1-CB 4.25Å; L433-H436 WeakPolarHBondContact O-CA 3.33Å; L433-H436 VanDerWaalsContact O-CB 3.25Å; L433-H436 WeakPolarHBondContact O-CB 3.43Å; L433-H436 PolarHBondContact O-N 3.1Å; T434-H436 PolarHBondContact O-N 3.15Å; H436-G438 PolarHBondContact O-N 2.64Å; H436-K439 VanDerWaalsContact O-CB 3.29Å; H436-K439 WeakPolarHBondContact O-CB 3.28Å; H436-K439 WeakPolarHBondContact O-CG 3.37Å; H436-K439 PolarHBondContact O-N 3.36Å; H436-K439 VanDerWaalsContact O-N 3.15Å; H436-W463 AromaticContact CE1-CD1 3.54Å; H436-W463 AromaticContact CE1-NE1 3.38Å; H436-W463 PolarHBondContact CE1-NE1 3.22Å; H436-W463 AromaticContact ND1-CD1 3.56Å; H436-W463 AromaticContact ND1-NE1 3.44Å; H436-W463 PolarHBondContact ND1-NE1 3.36Å; H436-W463 AromaticContact NE2-NE1 3.94Å; H436-W464 HydrophobicContact CB-CB 4.39Å; H436-W464 PolarHBondContact ND1-O 3.25Å; H436-A469 VanDerWaalsContact CE1-CA 3.48Å; H436-A469 WeakPolarHBondContact CE1-CA 3.3Å; H436-A469 VanDerWaalsContact CE1-CB 3.44Å; H436-A469 WeakPolarHBondContact CE1-CB 3.42Å; H436-H470 PolarHBondContact NE2-N 3.47Å; H436-S471 PolarHBondContact NE2-N 2.74Å
437	N	98.4	Very high	98	Very high	63 Å²	63	38 Å²	38	34%	0.337	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	135.6	-179.9	-162.5	7.4	0	0	0	111.1	R421 V422 T434 K439	R421-N437 WeakPolarHBondContact CA-OD1 3.41Å; V422-N437 HydrophobicContact CG2-CB 3.57Å; V422-N437 VanDerWaalsContact CG2-CG 3.42Å; V422-N437 PolarHBondContact N-OD1 3.4Å; V422-N437 PolarHBondContact O-ND2 3.36Å; T434-N437 WeakPolarHBondContact O-CB 3.23Å; T434-N437 PolarHBondContact O-N 3.18Å; N437-K439 PolarHBondContact O-N 2.95Å
438	G	98.1	Very high	98	Very high	19 Å²	19	38.7 Å²	38.7	20%	0.196	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	6.1	-176.8	0	0	0	0	0	115.1	R419 L420 H436	R419-G438 VanDerWaalsContact CD-O 3.32Å; R419-G438 WeakPolarHBondContact CD-O 3.38Å; R419-G438 VanDerWaalsContact CG-C 3.48Å; R419-G438 WeakPolarHBondContact CG-O 3.48Å; R419-G438 PolarHBondContact NH1-O 3.04Å; L420-G438 VanDerWaalsContact O-CA 3.26Å; L420-G438 WeakPolarHBondContact O-CA 3.33Å; L420-G438 PolarHBondContact O-N 2.72Å; H436-G438 PolarHBondContact O-N 2.64Å
439	K	98.4	Very high	98	Very high	57 Å²	57	35.2 Å²	35.2	25%	0.248	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-87.6	147.2	177.1	-58.4	-70.9	159	168	0	111.5	R419 L420 H436 N437 W464 N466	R419-K439 VanDerWaalsContact CA-O 3.31Å; R419-K439 WeakPolarHBondContact CA-O 3.22Å; R419-K439 WeakPolarHBondContact CG-O 3.47Å; L420-K439 PolarHBondContact N-O 2.9Å; H436-K439 VanDerWaalsContact O-CB 3.29Å; H436-K439 WeakPolarHBondContact O-CB 3.28Å; H436-K439 WeakPolarHBondContact O-CG 3.37Å; H436-K439 PolarHBondContact O-N 3.36Å; H436-K439 VanDerWaalsContact O-N 3.15Å; N437-K439 PolarHBondContact O-N 2.95Å; K439-W464 HydrophobicContact CB-CB 4.25Å; K439-N466 HydrophobicContact CD-CB 3.94Å; K439-N466 WeakPolarHBondContact CE-ND2 3.41Å; K439-N466 VanDerWaalsContact CE-OD1 3.27Å; K439-N466 WeakPolarHBondContact CE-OD1 3.28Å; K439-N466 HydrophobicContact CG-CB 4.08Å; K439-N466 PolarHBondContact NZ-OD1 3.34Å
440	Q	98.6	Very high	97.9	Very high	43 Å²	43	37.9 Å²	37.9	20%	0.201	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-81.4	153.7	178.2	-73.5	169.9	-25.1	0	0	110.1	D416 Y417 R419 H448 W464	D416-Q440 PolarHBondContact OD1-NE2 2.94Å; D416-Q440 VanDerWaalsContact OD1-NE2 3.12Å; Y417-Q440 HydrophobicContact CD2-CG 4.4Å; R419-Q440 HydrophobicContact CB-CG 4.29Å; R419-Q440 HydrophobicContact CG-CG 4.45Å; Q440-H448 HydrophobicContact CB-CB 3.75Å; Q440-W464 WeakPolarHBondContact O-CA 3.42Å
441	F	98.8	Very high	97.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-73.3	141.1	177.4	-157.7	-94.6	0	0	0	110.1	W358 Y361 W373 L376 Y417 T443 H448 G462 W464	W358-F441 HydrophobicContact CH2-CB 4.31Å; W358-F441 HydrophobicContact CZ3-CB 4.2Å; W358-F441 HydrophobicContact CZ3-CD1 4.18Å; W358-F441 WeakPolarHBondContact CZ3-O 3.38Å; Y361-F441 AromaticContact CD1-CE1 3.77Å; Y361-F441 HydrophobicContact CD1-CE1 3.77Å; Y361-F441 AromaticContact CD1-CZ 3.51Å; Y361-F441 HydrophobicContact CD1-CZ 3.51Å; Y361-F441 HydrophobicContact CD2-CE1 4.38Å; Y361-F441 HydrophobicContact CE1-CE1 4.45Å; Y361-F441 AromaticContact CE1-CZ 3.94Å; Y361-F441 HydrophobicContact CE1-CZ 3.94Å; Y361-F441 AromaticContact CG-CE1 3.75Å; Y361-F441 HydrophobicContact CG-CE1 3.75Å; Y361-F441 HydrophobicContact CG-CZ 4.01Å; W373-F441 HydrophobicContact CH2-CE2 4.39Å; W373-F441 HydrophobicContact CZ2-CE2 4.28Å; W373-F441 HydrophobicContact CZ2-CZ 4.35Å; L376-F441 HydrophobicContact CD1-CB 4.46Å; L376-F441 HydrophobicContact CD1-CD1 3.57Å; L376-F441 HydrophobicContact CD1-CD2 4.37Å; L376-F441 HydrophobicContact CD1-CE1 3.75Å; L376-F441 HydrophobicContact CD1-CG 3.88Å; L376-F441 HydrophobicContact CD1-CZ 4.21Å; L376-F441 HydrophobicContact CD2-CD1 4.37Å; L376-F441 HydrophobicContact CD2-CD2 3.66Å; L376-F441 HydrophobicContact CD2-CE1 4.49Å; L376-F441 HydrophobicContact CD2-CE2 3.79Å; L376-F441 HydrophobicContact CD2-CG 3.95Å; L376-F441 HydrophobicContact CD2-CZ 4.19Å; Y417-F441 WeakPolarHBondContact O-CB 3.32Å; Y417-F441 PolarHBondContact O-N 3.05Å; F441-T443 HydrophobicContact CD1-CG2 4Å; F441-T443 HydrophobicContact CE1-CG2 3.68Å; F441-H448 PolarHBondContact O-ND1 2.86Å; F441-G462 VanDerWaalsContact CZ-O 3.26Å; F441-G462 WeakPolarHBondContact CZ-O 3.1Å; F441-W464 AromaticContact CD2-CD1 3.85Å; F441-W464 AromaticContact CD2-CD2 3.91Å; F441-W464 HydrophobicContact CD2-CD2 3.91Å; F441-W464 AromaticContact CD2-CE2 3.69Å; F441-W464 HydrophobicContact CD2-CG 4.05Å; F441-W464 HydrophobicContact CD2-CZ2 4.2Å; F441-W464 AromaticContact CD2-NE1 3.65Å; F441-W464 HydrophobicContact CE2-CD2 4.33Å; F441-W464 HydrophobicContact CE2-CZ2 4.43Å
442	T	98.7	Very high	97.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-133.8	137	-176.7	-71.6	0	0	0	0	110.2	R446 H448 D449 A456 G462 W463 Y465	T442-R446 WeakPolarHBondContact CA-O 3.43Å; T442-H448 WeakPolarHBondContact OG1-CA 3.29Å; T442-H448 PolarHBondContact OG1-N 3.19Å; T442-D449 HydrophobicContact CG2-CB 4.31Å; T442-D449 PolarHBondContact OG1-N 3.38Å; T442-D449 VanDerWaalsContact OG1-N 3.16Å; T442-A456 HydrophobicContact CG2-CB 4.3Å; T442-G462 WeakPolarHBondContact O-CA 3.36Å; T442-W463 PolarHBondContact N-O 2.91Å; T442-W463 PolarHBondContact O-N 3Å; T442-Y465 HydrophobicContact CG2-CD2 4.03Å
443	T	98.6	Very high	97.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-130.6	173.3	177.2	56.2	0	0	0	0	110.5	W358 Y361 F441 D445 R446 N454 A456	W358-T443 HydrophobicContact CE3-CG2 4.24Å; W358-T443 PolarHBondContact N-OG1 2.99Å; Y361-T443 HydrophobicContact CD2-CG2 3.71Å; Y361-T443 HydrophobicContact CE2-CG2 4.45Å; Y361-T443 HydrophobicContact CG-CG2 4.16Å; F441-T443 HydrophobicContact CD1-CG2 4Å; F441-T443 HydrophobicContact CE1-CG2 3.68Å; T443-D445 VanDerWaalsContact CB-OD1 3.29Å; T443-D445 WeakPolarHBondContact CB-OD1 3.34Å; T443-D445 PolarHBondContact O-N 3.42Å; T443-D445 PolarHBondContact OG1-OD1 2.99Å; T443-R446 PolarHBondContact N-O 2.83Å; T443-R446 CarbonylContact O-C 3.58Å; T443-R446 PolarHBondContact O-N 3.31Å; T443-N454 PolarHBondContact O-ND2 3.14Å; T443-A456 VanDerWaalsContact C-CB 3.5Å
444	L	97.6	Very high	97.5	Very high	52 Å²	52	49 Å²	49	27%	0.272	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-19.3	-179	70.9	92.6	0	0	0	114.4	F355 R356 H457	F355-L444 HydrophobicContact CD1-CD2 4.31Å; F355-L444 HydrophobicContact CD2-CB 4.48Å; F355-L444 HydrophobicContact CD2-CD2 3.92Å; F355-L444 HydrophobicContact CE1-CD2 4.09Å; F355-L444 HydrophobicContact CE2-CB 3.63Å; F355-L444 HydrophobicContact CE2-CD2 3.7Å; F355-L444 HydrophobicContact CE2-CG 4.32Å; F355-L444 HydrophobicContact CG-CD2 4.23Å; F355-L444 HydrophobicContact CZ-CB 3.89Å; F355-L444 HydrophobicContact CZ-CD2 3.79Å; F355-L444 HydrophobicContact CZ-CG 4.41Å; R356-L444 WeakPolarHBondContact O-CD2 3.46Å; L444-H457 PolarHBondContact O-CE1 3.22Å
445	D	98.2	Very high	97.5	Very high	75 Å²	75	46.3 Å²	46.3	40%	0.401	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-7.4	-175.7	61.6	-45.2	0	0	0	113.6	N357 W358 T443	N357-D445 WeakPolarHBondContact CA-OD1 3.26Å; N357-D445 WeakPolarHBondContact CB-OD2 3.28Å; W358-D445 WeakPolarHBondContact CB-OD2 3.3Å; W358-D445 VanDerWaalsContact N-CG 3.35Å; W358-D445 PolarHBondContact N-OD1 3.05Å; W358-D445 PolarHBondContact N-OD2 2.87Å; T443-D445 VanDerWaalsContact CB-OD1 3.29Å; T443-D445 WeakPolarHBondContact CB-OD1 3.34Å; T443-D445 PolarHBondContact O-N 3.42Å; T443-D445 PolarHBondContact OG1-OD1 2.99Å
446	R	97.6	Very high	97.5	Very high	92 Å²	92	42.2 Å²	42.2	35%	0.347	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-141.5	110.2	174.8	-66.4	-160.3	-170.3	171.3	2.8	110.3	W358 E414 T442 T443	W358-R446 HydrophobicContact CB-CG 4.08Å; W358-R446 VanDerWaalsContact CD1-NH1 3.31Å; W358-R446 HydrophobicContact CD2-CB 4.48Å; W358-R446 HydrophobicContact CD2-CG 4.34Å; W358-R446 VanDerWaalsContact CE2-NH1 3.26Å; W358-R446 HydrophobicContact CE3-CB 3.86Å; W358-R446 HydrophobicContact CE3-CG 4.21Å; W358-R446 HydrophobicContact CG-CG 4.3Å; W358-R446 HydrophobicContact CZ3-CB 4.36Å; E414-R446 IonicContact OE1-NH1 2.65Å; E414-R446 PolarHBondContact OE1-NH1 3.49Å; T442-R446 WeakPolarHBondContact CA-O 3.43Å; T443-R446 PolarHBondContact N-O 2.83Å; T443-R446 CarbonylContact O-C 3.58Å; T443-R446 PolarHBondContact O-N 3.31Å
447	D	98.1	Very high	97.5	Very high	74 Å²	74	46.6 Å²	46.6	40%	0.396	25%	0.248	S	C	.	.			trans	-94.7	116.6	-178.7	-163.4	-11	0	0	0	110.6	D449 N454	D447-D449 PolarHBondContact OD1-N 3.37Å; D447-N454 HydrophobicContact CB-CB 4.3Å; D447-N454 WeakPolarHBondContact OD2-CA 3.4Å; D447-N454 VanDerWaalsContact OD2-CB 3.23Å; D447-N454 WeakPolarHBondContact OD2-CB 3.45Å; D447-N454 PolarHBondContact OD2-N 3.49Å; D447-N454 VanDerWaalsContact OD2-N 3.1Å
448	H	97	Very high	97.4	Very high	41 Å²	41	47.3 Å²	47.3	19%	0.19	25%	0.247	C	C	.	.			trans	-138.2	25.1	175.7	-44.5	118.7	0	0	0	111.1	W358 Y417 Q440 F441 T442	W358-H448 AromaticContact CH2-CE1 3.95Å; W358-H448 AromaticContact CZ3-CE1 3.73Å; W358-H448 AromaticContact CZ3-ND1 3.77Å; Y417-H448 AromaticContact CD1-CD2 3.86Å; Y417-H448 AromaticContact CD1-CE1 3.31Å; Y417-H448 WeakPolarHBondContact CD1-CE1 3.46Å; Y417-H448 AromaticContact CD1-ND1 3.87Å; Y417-H448 AromaticContact CD1-NE2 3.3Å; Y417-H448 VanDerWaalsContact CD1-NE2 3.3Å; Y417-H448 WeakPolarHBondContact CD1-NE2 3.32Å; Y417-H448 AromaticContact CE1-CD2 3.99Å; Y417-H448 AromaticContact CE1-CE1 3.88Å; Y417-H448 AromaticContact CE1-NE2 3.38Å; Y417-H448 WeakPolarHBondContact CE1-NE2 3.49Å; Q440-H448 HydrophobicContact CB-CB 3.75Å; F441-H448 PolarHBondContact O-ND1 2.86Å; T442-H448 WeakPolarHBondContact OG1-CA 3.29Å; T442-H448 PolarHBondContact OG1-N 3.19Å
449	D	96.5	Very high	97.3	Very high	25 Å²	25	46.8 Å²	46.8	13%	0.134	24%	0.239	C	C	.	.	S	Bend	trans	-89.7	-174.8	178.9	74.5	56.5	0	0	0	111.9	T442 D447 Y451 C455	T442-D449 HydrophobicContact CG2-CB 4.31Å; T442-D449 PolarHBondContact OG1-N 3.38Å; T442-D449 VanDerWaalsContact OG1-N 3.16Å; D447-D449 PolarHBondContact OD1-N 3.37Å; D449-Y451 WeakPolarHBondContact OD1-CA 3.21Å; D449-Y451 VanDerWaalsContact OD1-CB 3.23Å; D449-Y451 WeakPolarHBondContact OD1-CB 3.46Å; D449-Y451 PolarHBondContact OD1-N 3.5Å; D449-C455 VanDerWaalsContact CG-SG 3.59Å; D449-C455 WeakPolarHBondContact OD2-CA 3.4Å; D449-C455 WeakPolarHBondContact OD2-CB 3.29Å; D449-C455 PolarHBondContact OD2-N 2.9Å; D449-C455 PolarHBondContact OD2-SG 3.41Å; D449-C455 VanDerWaalsContact OD2-SG 3.35Å
450	A	94.9	Very high	97.3	Very high	58 Å²	58	47.1 Å²	47.1	48%	0.479	24%	0.241	S	C	.	.	S	Bend	trans	-107.6	11	-175.6	0	0	0	0	0	112.8	N466	A450-N466 CarbonylContact C-O 3.54Å; A450-N466 WeakPolarHBondContact CA-O 3.49Å; A450-N466 WeakPolarHBondContact CB-OD1 3.19Å; A450-N466 PolarHBondContact N-O 3.32Å
451	Y	95.8	Very high	97.2	Very high	111 Å²	111	45.1 Å²	45.1	44%	0.435	23%	0.232	S	C	.	.	S	Bend	trans	-93.8	166.1	177.4	-171.4	-138	0	0	0	110.8	D449 G453 C455 Y458 N466 C468	D449-Y451 WeakPolarHBondContact OD1-CA 3.21Å; D449-Y451 VanDerWaalsContact OD1-CB 3.23Å; D449-Y451 WeakPolarHBondContact OD1-CB 3.46Å; D449-Y451 PolarHBondContact OD1-N 3.5Å; Y451-G453 WeakPolarHBondContact CD1-O 3.44Å; Y451-G453 PolarHBondContact O-N 2.96Å; Y451-C455 VanDerWaalsContact CB-SG 3.52Å; Y451-Y458 HydrophobicContact CE1-CD2 4.27Å; Y451-Y458 AromaticContact CE1-CE2 3.93Å; Y451-Y458 HydrophobicContact CE1-CE2 3.93Å; Y451-N466 PolarHBondContact N-O 3.04Å; Y451-C468 VanDerWaalsContact CD1-SG 3.55Å
452	T	95.4	Very high	97.2	Very high	141 Å²	141	45.1 Å²	45.1	87%	0.865	23%	0.232	S	C	*	.	S	Bend	trans	-79.3	4.4	-178.4	52.3	0	0	0	0	113.6
453	G	95.3	Very high	97.2	Very high	21 Å²	21	45.1 Å²	45.1	22%	0.216	23%	0.232	C	C	.	.	S	Bend	trans	-168.7	164	171.7	0	0	0	0	0	109.7	Y451 C455	Y451-G453 WeakPolarHBondContact CD1-O 3.44Å; Y451-G453 PolarHBondContact O-N 2.96Å; G453-C455 PolarHBondContact O-N 3.48Å
454	N	97.5	Very high	97.2	Very high	14 Å²	14	45.1 Å²	45.1	8%	0.075	23%	0.232	C	C	.	.			trans	-61.1	114.5	-165.7	-171.7	-50.9	0	0	0	114.7	T443 D447 A456 H457 Y458	T443-N454 PolarHBondContact O-ND2 3.14Å; D447-N454 HydrophobicContact CB-CB 4.3Å; D447-N454 WeakPolarHBondContact OD2-CA 3.4Å; D447-N454 VanDerWaalsContact OD2-CB 3.23Å; D447-N454 WeakPolarHBondContact OD2-CB 3.45Å; D447-N454 PolarHBondContact OD2-N 3.49Å; D447-N454 VanDerWaalsContact OD2-N 3.1Å; N454-A456 VanDerWaalsContact C-N 3.3Å; N454-A456 PolarHBondContact O-N 2.99Å; N454-A456 VanDerWaalsContact OD1-CA 3.27Å; N454-A456 WeakPolarHBondContact OD1-CA 3.08Å; N454-A456 WeakPolarHBondContact OD1-CB 3.4Å; N454-A456 PolarHBondContact OD1-N 3.32Å; N454-H457 HydrophobicContact CB-CB 4.49Å; N454-H457 WeakPolarHBondContact O-CB 3.45Å; N454-H457 PolarHBondContact O-N 3.02Å; N454-H457 PolarHBondContact OD1-N 2.96Å; N454-H457 VanDerWaalsContact OD1-N 3.15Å; N454-Y458 WeakPolarHBondContact O-CD2 3.07Å; N454-Y458 WeakPolarHBondContact O-CE2 2.97Å
455	C	97.9	Very high	97.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.5	-29.2	176.8	-70.8	0	0	0	0	113.6	D449 Y451 G453 H457 Y458 Q459 Y465 C468	D449-C455 VanDerWaalsContact CG-SG 3.59Å; D449-C455 WeakPolarHBondContact OD2-CA 3.4Å; D449-C455 WeakPolarHBondContact OD2-CB 3.29Å; D449-C455 PolarHBondContact OD2-N 2.9Å; D449-C455 PolarHBondContact OD2-SG 3.41Å; D449-C455 VanDerWaalsContact OD2-SG 3.35Å; Y451-C455 VanDerWaalsContact CB-SG 3.52Å; G453-C455 PolarHBondContact O-N 3.48Å; C455-H457 VanDerWaalsContact C-N 3.3Å; C455-H457 PolarHBondContact O-N 3.24Å; C455-Y458 PolarHBondContact O-N 3.44Å; C455-Y458 VanDerWaalsContact O-N 3.13Å; C455-Q459 WeakPolarHBondContact O-CB 3.5Å; C455-Q459 PolarHBondContact O-N 3.34Å; C455-Y465 HydrophobicContact CB-CD1 4.22Å; C455-Y465 HydrophobicContact CB-CD2 3.9Å; C455-Y465 HydrophobicContact CB-CG 3.71Å; C455-C468 HydrophobicContact CB-CB 3.62Å; C455-C468 WeakPolarHBondContact CB-SG 3.47Å; C455-C468 WeakPolarHBondContact SG-CA 3.35Å; C455-C468 WeakPolarHBondContact SG-CB 3.18Å; C455-C468 CovalentContact SG-SG 2.04Å; C455-C468 PolarHBondContact SG-SG 3Å
456	A	97.8	Very high	97.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.6	-29.4	175.6	0	0	0	0	0	112.3	T442 T443 N454 Y458 K460 G461 Y465	T442-A456 HydrophobicContact CG2-CB 4.3Å; T443-A456 VanDerWaalsContact C-CB 3.5Å; N454-A456 VanDerWaalsContact C-N 3.3Å; N454-A456 PolarHBondContact O-N 2.99Å; N454-A456 VanDerWaalsContact OD1-CA 3.27Å; N454-A456 WeakPolarHBondContact OD1-CA 3.08Å; N454-A456 WeakPolarHBondContact OD1-CB 3.4Å; N454-A456 PolarHBondContact OD1-N 3.32Å; A456-Y458 VanDerWaalsContact C-N 3.26Å; A456-Y458 PolarHBondContact O-N 3.12Å; A456-K460 WeakPolarHBondContact O-CA 3.23Å; A456-K460 PolarHBondContact O-N 3.01Å; A456-G461 VanDerWaalsContact CB-O 3.28Å; A456-G461 WeakPolarHBondContact CB-O 3.27Å; A456-Y465 HydrophobicContact CB-CD2 4.27Å; A456-Y465 HydrophobicContact CB-CE2 3.72Å
457	H	97.3	Very high	97.1	Very high	92 Å²	92	38.6 Å²	38.6	43%	0.426	21%	0.209	S	C	.	.	H	α-helix	trans	-63.9	-31.2	171.1	-74.9	-22.3	0	0	0	112.9	L444 N454 C455 K460	L444-H457 PolarHBondContact O-CE1 3.22Å; N454-H457 HydrophobicContact CB-CB 4.49Å; N454-H457 WeakPolarHBondContact O-CB 3.45Å; N454-H457 PolarHBondContact O-N 3.02Å; N454-H457 PolarHBondContact OD1-N 2.96Å; N454-H457 VanDerWaalsContact OD1-N 3.15Å; C455-H457 VanDerWaalsContact C-N 3.3Å; C455-H457 PolarHBondContact O-N 3.24Å; H457-K460 VanDerWaalsContact O-CE 3.3Å; H457-K460 WeakPolarHBondContact O-CE 3.47Å; H457-K460 PolarHBondContact O-NZ 3.37Å
458	Y	96.9	Very high	96.9	Very high	78 Å²	78	36.3 Å²	36.3	31%	0.306	20%	0.199	S	C	.	.	H	α-helix	trans	-88.4	-46.3	179.5	-57.8	-67	0	0	0	111.9	Y451 N454 C455 A456 Y487 D489	Y451-Y458 HydrophobicContact CE1-CD2 4.27Å; Y451-Y458 AromaticContact CE1-CE2 3.93Å; Y451-Y458 HydrophobicContact CE1-CE2 3.93Å; N454-Y458 WeakPolarHBondContact O-CD2 3.07Å; N454-Y458 WeakPolarHBondContact O-CE2 2.97Å; C455-Y458 PolarHBondContact O-N 3.44Å; C455-Y458 VanDerWaalsContact O-N 3.13Å; A456-Y458 VanDerWaalsContact C-N 3.26Å; A456-Y458 PolarHBondContact O-N 3.12Å; Y458-Y487 AromaticContact CD1-CD1 3.84Å; Y458-Y487 HydrophobicContact CD1-CD1 3.84Å; Y458-Y487 HydrophobicContact CD1-CD2 4.05Å; Y458-Y487 AromaticContact CD1-CE1 3.49Å; Y458-Y487 HydrophobicContact CD1-CE1 3.49Å; Y458-Y487 VanDerWaalsContact CD1-CE1 3.49Å; Y458-Y487 AromaticContact CD1-CE2 3.73Å; Y458-Y487 HydrophobicContact CD1-CE2 3.73Å; Y458-Y487 HydrophobicContact CD1-CG 4.1Å; Y458-Y487 AromaticContact CD1-CZ 3.44Å; Y458-Y487 VanDerWaalsContact CD1-CZ 3.44Å; Y458-Y487 AromaticContact CE1-CE1 3.95Å; Y458-Y487 HydrophobicContact CE1-CE1 3.95Å; Y458-Y487 HydrophobicContact CE1-CE2 4.28Å; Y458-Y487 AromaticContact CE1-CZ 3.71Å; Y458-Y487 HydrophobicContact CG-CD1 4.35Å; Y458-Y487 HydrophobicContact CG-CE1 4.36Å; Y458-D489 WeakPolarHBondContact O-CB 3.28Å
459	Q	97.1	Very high	96.9	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.037	20%	0.197	C	C	.	.	H	α-helix	trans	-93.3	-6.1	-172.2	-64.7	-160.6	92.1	0	0	115.6	C455 G461 Y465 C468 A469 N472 Q488 Y492	C455-Q459 WeakPolarHBondContact O-CB 3.5Å; C455-Q459 PolarHBondContact O-N 3.34Å; Q459-G461 PolarHBondContact O-N 3.48Å; Q459-Y465 HydrophobicContact CB-CE1 4.01Å; Q459-Y465 HydrophobicContact CG-CE1 4.43Å; Q459-C468 VanDerWaalsContact NE2-CB 3.28Å; Q459-A469 VanDerWaalsContact NE2-CB 3.26Å; Q459-N472 PolarHBondContact O-ND2 3.42Å; Q459-Q488 PolarHBondContact OE1-O 3.34Å; Q459-Y492 PolarHBondContact OE1-OH 3.5Å
460	K	97.5	Very high	97	Very high	64 Å²	64	37.3 Å²	37.3	28%	0.278	21%	0.206	S	C	.	.			trans	61.7	12.4	169.4	-44.3	-58.5	-176.9	-177.1	0	116.7	F355 A456 H457 V476 D489	F355-K460 VanDerWaalsContact CA-O 3.26Å; F355-K460 WeakPolarHBondContact CA-O 3.47Å; F355-K460 HydrophobicContact CB-CB 4.48Å; F355-K460 VanDerWaalsContact CB-O 3.28Å; F355-K460 WeakPolarHBondContact CB-O 3.42Å; F355-K460 HydrophobicContact CD2-CB 4.05Å; F355-K460 HydrophobicContact CD2-CD 4.36Å; F355-K460 WeakPolarHBondContact CD2-O 3.25Å; F355-K460 HydrophobicContact CE2-CD 4.19Å; F355-K460 HydrophobicContact CG-CB 4.37Å; F355-K460 HydrophobicContact CZ-CD 4.42Å; A456-K460 WeakPolarHBondContact O-CA 3.23Å; A456-K460 PolarHBondContact O-N 3.01Å; H457-K460 VanDerWaalsContact O-CE 3.3Å; H457-K460 WeakPolarHBondContact O-CE 3.47Å; H457-K460 PolarHBondContact O-NZ 3.37Å; K460-V476 HydrophobicContact CB-CG2 3.61Å; K460-V476 HydrophobicContact CG-CG2 3.78Å; K460-D489 HydrophobicContact CG-CB 3.91Å
461	G	97.7	Very high	97.2	Very high	2 Å²	2	34.6 Å²	34.6	2%	0.021	18%	0.183	C	C	.	.	S	Bend	trans	-110.9	169.8	169.9	0	0	0	0	0	112.1	A456 Q459 Y465 N474	A456-G461 VanDerWaalsContact CB-O 3.28Å; A456-G461 WeakPolarHBondContact CB-O 3.27Å; Q459-G461 PolarHBondContact O-N 3.48Å; G461-Y465 WeakPolarHBondContact CA-OH 3.13Å; G461-Y465 PolarHBondContact N-OH 3.29Å; G461-Y465 WeakPolarHBondContact O-CE2 3.21Å; G461-Y465 PolarHBondContact O-OH 3.34Å; G461-N474 WeakPolarHBondContact CA-O 3.32Å
462	G	98.6	Very high	97.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.162	C	C	.	.			trans	-96	128	156.8	0	0	0	0	0	108.6	Y361 F441 T442 N474	Y361-G462 VanDerWaalsContact CZ-N 3.25Å; Y361-G462 PolarHBondContact OH-N 3.11Å; F441-G462 VanDerWaalsContact CZ-O 3.26Å; F441-G462 WeakPolarHBondContact CZ-O 3.1Å; T442-G462 WeakPolarHBondContact O-CA 3.36Å; G462-N474 WeakPolarHBondContact O-CB 3.47Å; G462-N474 PolarHBondContact O-ND2 2.91Å
463	W	98.7	Very high	97.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-159.1	168	-173.3	-159.1	-120.6	0	0	0	112.5	L433 H436 T442 Y465 S471 L473 N474 M508	L433-W463 HydrophobicContact CD1-CZ2 3.7Å; H436-W463 AromaticContact CE1-CD1 3.54Å; H436-W463 AromaticContact CE1-NE1 3.38Å; H436-W463 PolarHBondContact CE1-NE1 3.22Å; H436-W463 AromaticContact ND1-CD1 3.56Å; H436-W463 AromaticContact ND1-NE1 3.44Å; H436-W463 PolarHBondContact ND1-NE1 3.36Å; H436-W463 AromaticContact NE2-NE1 3.94Å; T442-W463 PolarHBondContact N-O 2.91Å; T442-W463 PolarHBondContact O-N 3Å; W463-Y465 HydrophobicContact CB-CD1 3.84Å; W463-Y465 HydrophobicContact CB-CD2 4.03Å; W463-Y465 HydrophobicContact CB-CE1 3.5Å; W463-Y465 HydrophobicContact CB-CE2 3.71Å; W463-Y465 HydrophobicContact CB-CG 4.09Å; W463-Y465 VanDerWaalsContact CB-CZ 3.45Å; W463-Y465 AromaticContact CD1-CD1 3.92Å; W463-Y465 AromaticContact CD1-CE1 3.95Å; W463-Y465 HydrophobicContact CG-CD1 4.3Å; W463-Y465 HydrophobicContact CG-CE1 4.06Å; W463-Y465 PolarHBondContact O-N 2.95Å; W463-S471 PolarHBondContact NE1-O 3.33Å; W463-L473 HydrophobicContact CH2-CB 3.86Å; W463-L473 HydrophobicContact CH2-CD1 4.02Å; W463-L473 HydrophobicContact CH2-CG 4.04Å; W463-L473 HydrophobicContact CZ2-CB 4.42Å; W463-L473 HydrophobicContact CZ2-CD1 4.47Å; W463-L473 HydrophobicContact CZ2-CG 4.29Å; W463-L473 HydrophobicContact CZ3-CB 4.19Å; W463-N474 HydrophobicContact CE3-CB 4.27Å; W463-M508 HydrophobicContact CH2-CE 3.87Å; W463-M508 HydrophobicContact CH2-SD 3.76Å; W463-M508 HydrophobicContact CZ3-CE 4.37Å; W463-M508 HydrophobicContact CZ3-SD 4Å
464	W	98.6	Very high	97.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.			trans	-77.1	62.2	168.9	-57.8	-78.9	0	0	0	111	W373 L376 F409 V411 Y418 L420 H436 K439 Q440 F441	W373-W464 AromaticContact CH2-CH2 3.99Å; W373-W464 HydrophobicContact CH2-CH2 3.99Å; W373-W464 HydrophobicContact CH2-CZ3 4.49Å; L376-W464 HydrophobicContact CD2-CZ2 4.3Å; F409-W464 HydrophobicContact CE2-CH2 4.3Å; F409-W464 HydrophobicContact CZ-CH2 4.27Å; V411-W464 HydrophobicContact CG2-CZ2 3.93Å; Y418-W464 PolarHBondContact O-NE1 3.35Å; L420-W464 HydrophobicContact CB-CB 4.15Å; L420-W464 HydrophobicContact CB-CD2 3.86Å; L420-W464 HydrophobicContact CB-CG 3.61Å; L420-W464 HydrophobicContact CD1-CD2 4.28Å; L420-W464 HydrophobicContact CD1-CE3 4.42Å; L420-W464 HydrophobicContact CD1-CH2 4.44Å; L420-W464 HydrophobicContact CD1-CZ2 4.3Å; L420-W464 HydrophobicContact CD1-CZ3 4.5Å; L420-W464 HydrophobicContact CD2-CB 4.27Å; L420-W464 HydrophobicContact CD2-CD2 4.06Å; L420-W464 HydrophobicContact CD2-CE3 4.06Å; L420-W464 HydrophobicContact CD2-CG 4.18Å; L420-W464 HydrophobicContact CG-CD2 4.29Å; L420-W464 HydrophobicContact CG-CG 4.41Å; H436-W464 HydrophobicContact CB-CB 4.39Å; H436-W464 PolarHBondContact ND1-O 3.25Å; K439-W464 HydrophobicContact CB-CB 4.25Å; Q440-W464 WeakPolarHBondContact O-CA 3.42Å; F441-W464 AromaticContact CD2-CD1 3.85Å; F441-W464 AromaticContact CD2-CD2 3.91Å; F441-W464 HydrophobicContact CD2-CD2 3.91Å; F441-W464 AromaticContact CD2-CE2 3.69Å; F441-W464 HydrophobicContact CD2-CG 4.05Å; F441-W464 HydrophobicContact CD2-CZ2 4.2Å; F441-W464 AromaticContact CD2-NE1 3.65Å; F441-W464 HydrophobicContact CE2-CD2 4.33Å; F441-W464 HydrophobicContact CE2-CZ2 4.43Å
465	Y	98.6	Very high	97.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.			trans	-63.5	152.5	-175	-67.4	-55.7	0	0	0	112.7	T442 C455 A456 Q459 G461 W463 A469 N472	T442-Y465 HydrophobicContact CG2-CD2 4.03Å; C455-Y465 HydrophobicContact CB-CD1 4.22Å; C455-Y465 HydrophobicContact CB-CD2 3.9Å; C455-Y465 HydrophobicContact CB-CG 3.71Å; A456-Y465 HydrophobicContact CB-CD2 4.27Å; A456-Y465 HydrophobicContact CB-CE2 3.72Å; Q459-Y465 HydrophobicContact CB-CE1 4.01Å; Q459-Y465 HydrophobicContact CG-CE1 4.43Å; G461-Y465 WeakPolarHBondContact CA-OH 3.13Å; G461-Y465 PolarHBondContact N-OH 3.29Å; G461-Y465 WeakPolarHBondContact O-CE2 3.21Å; G461-Y465 PolarHBondContact O-OH 3.34Å; W463-Y465 HydrophobicContact CB-CD1 3.84Å; W463-Y465 HydrophobicContact CB-CD2 4.03Å; W463-Y465 HydrophobicContact CB-CE1 3.5Å; W463-Y465 HydrophobicContact CB-CE2 3.71Å; W463-Y465 HydrophobicContact CB-CG 4.09Å; W463-Y465 VanDerWaalsContact CB-CZ 3.45Å; W463-Y465 AromaticContact CD1-CD1 3.92Å; W463-Y465 AromaticContact CD1-CE1 3.95Å; W463-Y465 HydrophobicContact CG-CD1 4.3Å; W463-Y465 HydrophobicContact CG-CE1 4.06Å; W463-Y465 PolarHBondContact O-N 2.95Å; Y465-A469 HydrophobicContact CD1-CB 4.08Å; Y465-A469 HydrophobicContact CE1-CB 4.24Å; Y465-N472 PolarHBondContact OH-OD1 3.4Å
466	N	96.8	Very high	97.6	Very high	16 Å²	16	23.3 Å²	23.3	9%	0.086	12%	0.122	C	C	.	.	S	Bend	trans	-118.9	-95.4	174.6	-171.4	4.4	0	0	0	108.2	W435 K439 A450 Y451 C468	W435-N466 HydrophobicContact CD2-CB 4.28Å; W435-N466 HydrophobicContact CE3-CB 3.85Å; W435-N466 HydrophobicContact CH2-CB 3.79Å; W435-N466 HydrophobicContact CZ2-CB 4.17Å; W435-N466 WeakPolarHBondContact CZ2-ND2 3.23Å; W435-N466 HydrophobicContact CZ3-CB 3.6Å; W435-N466 PolarHBondContact O-ND2 3.26Å; K439-N466 HydrophobicContact CD-CB 3.94Å; K439-N466 WeakPolarHBondContact CE-ND2 3.41Å; K439-N466 VanDerWaalsContact CE-OD1 3.27Å; K439-N466 WeakPolarHBondContact CE-OD1 3.28Å; K439-N466 HydrophobicContact CG-CB 4.08Å; K439-N466 PolarHBondContact NZ-OD1 3.34Å; A450-N466 CarbonylContact C-O 3.54Å; A450-N466 WeakPolarHBondContact CA-O 3.49Å; A450-N466 WeakPolarHBondContact CB-OD1 3.19Å; A450-N466 PolarHBondContact N-O 3.32Å; Y451-N466 PolarHBondContact N-O 3.04Å; N466-C468 PolarHBondContact N-O 3.07Å
467	S	95.1	Very high	97.7	Very high	65 Å²	65	25.5 Å²	25.5	46%	0.455	13%	0.13	S	C	.	.	S	Bend	trans	-147.6	55.5	176.3	50.9	0	0	0	0	114	W435	W435-S467 VanDerWaalsContact CH2-N 3.32Å
468	C	94.1	Very high	97.7	Very high	27 Å²	27	24 Å²	24	18%	0.182	12%	0.121	C	C	.	.	S	Bend	cis	-117.2	-49.2	10.7	-79.2	0	0	0	0	114.2	Y451 C455 Q459 N466	Y451-C468 VanDerWaalsContact CD1-SG 3.55Å; C455-C468 HydrophobicContact CB-CB 3.62Å; C455-C468 WeakPolarHBondContact CB-SG 3.47Å; C455-C468 WeakPolarHBondContact SG-CA 3.35Å; C455-C468 WeakPolarHBondContact SG-CB 3.18Å; C455-C468 CovalentContact SG-SG 2.04Å; C455-C468 PolarHBondContact SG-SG 3Å; Q459-C468 VanDerWaalsContact NE2-CB 3.28Å; N466-C468 PolarHBondContact N-O 3.07Å
469	A	97.5	Very high	97.7	Very high	16 Å²	16	30.6 Å²	30.6	13%	0.132	15%	0.146	C	C	.	.			trans	-152.1	154.8	174.4	0	0	0	0	0	114.5	H436 Q459 Y465 S471 Y492	H436-A469 VanDerWaalsContact CE1-CA 3.48Å; H436-A469 WeakPolarHBondContact CE1-CA 3.3Å; H436-A469 VanDerWaalsContact CE1-CB 3.44Å; H436-A469 WeakPolarHBondContact CE1-CB 3.42Å; Q459-A469 VanDerWaalsContact NE2-CB 3.26Å; Y465-A469 HydrophobicContact CD1-CB 4.08Å; Y465-A469 HydrophobicContact CE1-CB 4.24Å; A469-S471 WeakPolarHBondContact CB-O 3.41Å; A469-Y492 WeakPolarHBondContact CB-OH 3.35Å; A469-Y492 PolarHBondContact O-OH 3.09Å
470	H	98.1	Very high	97.6	Very high	71 Å²	71	32.2 Å²	32.2	33%	0.329	17%	0.165	S	C	.	.	S	Bend	trans	-100.5	-25.1	159.5	-73	-164.4	0	0	0	111.1	S432 W435 H436 Y492 A494	S432-H470 WeakPolarHBondContact CB-O 3.38Å; S432-H470 CarbonylContact O-C 3.53Å; W435-H470 AromaticContact CD2-CD2 3.7Å; W435-H470 AromaticContact CD2-CE1 3.95Å; W435-H470 AromaticContact CD2-NE2 3.66Å; W435-H470 AromaticContact CE2-NE2 3.9Å; W435-H470 HydrophobicContact CE3-CB 4.35Å; W435-H470 AromaticContact CE3-CD2 3.43Å; W435-H470 VanDerWaalsContact CE3-CD2 3.43Å; W435-H470 AromaticContact CE3-CG 3.82Å; W435-H470 AromaticContact CE3-NE2 3.88Å; W435-H470 AromaticContact CG-CE1 3.77Å; W435-H470 AromaticContact CG-ND1 3.9Å; W435-H470 AromaticContact CG-NE2 3.98Å; W435-H470 AromaticContact CZ3-CD2 3.77Å; H436-H470 PolarHBondContact NE2-N 3.47Å; H470-Y492 WeakPolarHBondContact O-CE2 3.49Å; H470-A494 HydrophobicContact CB-CB 4.42Å; H470-A494 WeakPolarHBondContact O-CB 3.37Å; H470-A494 PolarHBondContact O-N 3.13Å
471	S	98.4	Very high	97.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-131.3	138.8	169.9	54.2	0	0	0	0	111.3	S432 H436 W463 A469 Y492 W493	S432-S471 VanDerWaalsContact O-CB 3.24Å; S432-S471 WeakPolarHBondContact O-CB 3.47Å; S432-S471 PolarHBondContact O-N 3.44Å; S432-S471 PolarHBondContact O-OG 3.13Å; H436-S471 PolarHBondContact NE2-N 2.74Å; W463-S471 PolarHBondContact NE1-O 3.33Å; A469-S471 WeakPolarHBondContact CB-O 3.41Å; S471-Y492 WeakPolarHBondContact CA-O 3.3Å; S471-W493 VanDerWaalsContact CB-CE3 3.42Å
472	N	98.4	Very high	97.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.183	C	C	.	.			trans	-132.5	59.9	-180	-172.9	39.8	0	0	0	110.2	Q459 Y465 N474 G475 D489 G490 V491 Y492	Q459-N472 PolarHBondContact O-ND2 3.42Å; Y465-N472 PolarHBondContact OH-OD1 3.4Å; N472-N474 PolarHBondContact O-N 3.37Å; N472-N474 VanDerWaalsContact O-N 3.12Å; N472-G475 VanDerWaalsContact ND2-CA 3.28Å; N472-G475 WeakPolarHBondContact ND2-CA 3.28Å; N472-G475 PolarHBondContact O-N 3Å; N472-D489 PolarHBondContact ND2-O 2.96Å; N472-G490 PolarHBondContact ND2-O 2.92Å; N472-V491 WeakPolarHBondContact O-CA 3.46Å; N472-Y492 HydrophobicContact CB-CD1 3.72Å; N472-Y492 HydrophobicContact CB-CE1 3.36Å; N472-Y492 HydrophobicContact CB-CE2 4.48Å; N472-Y492 HydrophobicContact CB-CG 4.39Å; N472-Y492 PolarHBondContact N-O 3.37Å
473	L	98.6	Very high	97.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.4	-172.6	-58.1	-174.9	0	0	0	113.3	Q345 R347 I392 L394 W463 W493 V506 M508	Q345-L473 PolarHBondContact NE2-O 2.95Å; R347-L473 PolarHBondContact NH1-O 3.19Å; I392-L473 HydrophobicContact CD1-CD1 4.02Å; I392-L473 HydrophobicContact CG2-CD1 3.78Å; L394-L473 HydrophobicContact CD2-CD2 4.08Å; W463-L473 HydrophobicContact CH2-CB 3.86Å; W463-L473 HydrophobicContact CH2-CD1 4.02Å; W463-L473 HydrophobicContact CH2-CG 4.04Å; W463-L473 HydrophobicContact CZ2-CB 4.42Å; W463-L473 HydrophobicContact CZ2-CD1 4.47Å; W463-L473 HydrophobicContact CZ2-CG 4.29Å; W463-L473 HydrophobicContact CZ3-CB 4.19Å; L473-W493 HydrophobicContact CD1-CE3 4.37Å; L473-W493 HydrophobicContact CD1-CZ3 4.23Å; L473-W493 HydrophobicContact CD2-CE3 4.15Å; L473-V506 HydrophobicContact CB-CG1 4.19Å; L473-V506 HydrophobicContact CD1-CG1 3.89Å; L473-V506 HydrophobicContact CD2-CG1 3.98Å; L473-V506 HydrophobicContact CD2-CG2 4.19Å; L473-V506 HydrophobicContact CG-CG1 4.23Å; L473-M508 HydrophobicContact CD1-CG 4.01Å; L473-M508 HydrophobicContact CD1-SD 3.9Å
474	N	98.7	Very high	97	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	10.3	174.9	-71.5	-11.9	0	0	0	113.8	Q345 F354 G461 G462 W463 N472	Q345-N474 WeakPolarHBondContact CG-OD1 3.19Å; Q345-N474 PolarHBondContact NE2-OD1 3.41Å; F354-N474 WeakPolarHBondContact CB-O 3.45Å; F354-N474 HydrophobicContact CD1-CB 4.07Å; G461-N474 WeakPolarHBondContact CA-O 3.32Å; G462-N474 WeakPolarHBondContact O-CB 3.47Å; G462-N474 PolarHBondContact O-ND2 2.91Å; W463-N474 HydrophobicContact CE3-CB 4.27Å; N472-N474 PolarHBondContact O-N 3.37Å; N472-N474 VanDerWaalsContact O-N 3.12Å
475	G	97.8	Very high	96.8	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.01	25%	0.252	C	S	.	.	S	Bend	trans	-69.7	-173.7	178.4	0	0	0	0	0	115.8	R347 N472 W477 D489 V491	R347-G475 PolarHBondContact NH1-O 3.22Å; R347-G475 PolarHBondContact NH2-O 3.02Å; N472-G475 VanDerWaalsContact ND2-CA 3.28Å; N472-G475 WeakPolarHBondContact ND2-CA 3.28Å; N472-G475 PolarHBondContact O-N 3Å; G475-W477 PolarHBondContact O-N 3.24Å; G475-D489 CarbonylContact C-O 3.58Å; G475-D489 WeakPolarHBondContact CA-O 3.2Å; G475-V491 WeakPolarHBondContact O-CG2 3.47Å
476	V	98.3	Very high	96.6	Very high	49 Å²	49	62.3 Å²	62.3	30%	0.297	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-66.7	126.1	172.4	-172.1	0	0	0	0	109.4	K460 Y478 D489 G490 V491	K460-V476 HydrophobicContact CB-CG2 3.61Å; K460-V476 HydrophobicContact CG-CG2 3.78Å; V476-Y478 HydrophobicContact CB-CD2 4.21Å; V476-Y478 HydrophobicContact CB-CE2 3.62Å; V476-Y478 HydrophobicContact CG1-CD2 4.15Å; V476-Y478 HydrophobicContact CG1-CE1 4.09Å; V476-Y478 HydrophobicContact CG1-CE2 3.67Å; V476-Y478 PolarHBondContact O-N 3.21Å; V476-D489 HydrophobicContact CG2-CB 4.28Å; V476-D489 PolarHBondContact N-O 3.45Å; V476-G490 CarbonylContact O-C 3.5Å; V476-G490 VanDerWaalsContact O-CA 3.22Å; V476-G490 WeakPolarHBondContact O-CA 3.32Å; V476-V491 PolarHBondContact O-N 2.85Å; V476-V491 VanDerWaalsContact O-N 3.07Å
477	W	98.3	Very high	96.5	Very high	46 Å²	46	65.4 Å²	65.4	17%	0.174	30%	0.301	C	S	.	.			trans	-82.8	117.6	175.1	-174.1	96.7	0	0	0	109.5	L348 D349 W397 G475 R479 V491 K504	L348-W477 WeakPolarHBondContact O-CZ2 3.36Å; D349-W477 WeakPolarHBondContact O-CH2 3.45Å; D349-W477 WeakPolarHBondContact O-CZ3 3.41Å; W397-W477 AromaticContact CH2-CH2 3.47Å; W397-W477 HydrophobicContact CH2-CH2 3.47Å; W397-W477 VanDerWaalsContact CH2-CH2 3.47Å; W397-W477 AromaticContact CH2-CZ2 3.43Å; W397-W477 HydrophobicContact CH2-CZ2 3.43Å; W397-W477 VanDerWaalsContact CH2-CZ2 3.43Å; W397-W477 HydrophobicContact CH2-CZ3 4.37Å; W397-W477 AromaticContact CZ2-CE2 3.96Å; W397-W477 AromaticContact CZ2-CH2 3.87Å; W397-W477 HydrophobicContact CZ2-CH2 3.87Å; W397-W477 AromaticContact CZ2-CZ2 3.49Å; W397-W477 HydrophobicContact CZ2-CZ2 3.49Å; W397-W477 VanDerWaalsContact CZ2-CZ2 3.49Å; G475-W477 PolarHBondContact O-N 3.24Å; W477-R479 HydrophobicContact CH2-CB 4.3Å; W477-R479 HydrophobicContact CH2-CG 4.46Å; W477-R479 HydrophobicContact CZ3-CB 3.89Å; W477-R479 HydrophobicContact CZ3-CG 4.48Å; W477-V491 HydrophobicContact CB-CG2 4.12Å; W477-K504 PolarHBondContact NE1-O 3.43Å
478	Y	98.1	Very high	96.6	Very high	62 Å²	62	67.4 Å²	67.4	24%	0.243	30%	0.303	C	S	.	.			trans	-106.3	124.2	177.5	-69.8	-80.3	0	0	0	111.9	W397 V476 G480 Y483 D489 S502	W397-Y478 WeakPolarHBondContact CZ2-O 3.32Å; V476-Y478 HydrophobicContact CB-CD2 4.21Å; V476-Y478 HydrophobicContact CB-CE2 3.62Å; V476-Y478 HydrophobicContact CG1-CD2 4.15Å; V476-Y478 HydrophobicContact CG1-CE1 4.09Å; V476-Y478 HydrophobicContact CG1-CE2 3.67Å; V476-Y478 PolarHBondContact O-N 3.21Å; Y478-G480 PolarHBondContact O-N 3.02Å; Y478-Y483 HydrophobicContact CD1-CG 4.33Å; Y478-Y483 AromaticContact CD2-CD1 3.74Å; Y478-Y483 HydrophobicContact CD2-CD1 3.74Å; Y478-Y483 AromaticContact CD2-CD2 3.66Å; Y478-Y483 HydrophobicContact CD2-CD2 3.66Å; Y478-Y483 HydrophobicContact CD2-CE1 4.26Å; Y478-Y483 HydrophobicContact CD2-CE2 4.18Å; Y478-Y483 AromaticContact CD2-CG 3.42Å; Y478-Y483 HydrophobicContact CD2-CG 3.42Å; Y478-Y483 VanDerWaalsContact CD2-CG 3.42Å; Y478-Y483 HydrophobicContact CE1-CD2 4.47Å; Y478-Y483 HydrophobicContact CE2-CD1 4.32Å; Y478-Y483 AromaticContact CE2-CD2 3.42Å; Y478-Y483 HydrophobicContact CE2-CD2 3.42Å; Y478-Y483 VanDerWaalsContact CE2-CD2 3.42Å; Y478-Y483 AromaticContact CE2-CE2 3.8Å; Y478-Y483 HydrophobicContact CE2-CE2 3.8Å; Y478-Y483 AromaticContact CE2-CG 3.72Å; Y478-Y483 HydrophobicContact CE2-CG 3.72Å; Y478-Y483 VanDerWaalsContact CG-CB 3.45Å; Y478-Y483 HydrophobicContact CG-CD1 4.21Å; Y478-Y483 HydrophobicContact CG-CD2 4.28Å; Y478-Y483 AromaticContact CG-CG 3.76Å; Y478-Y483 HydrophobicContact CG-CG 3.76Å; Y478-Y483 AromaticContact CZ-CD2 3.88Å; Y478-D489 WeakPolarHBondContact CE2-OD1 3.45Å; Y478-D489 PolarHBondContact OH-OD1 2.98Å; Y478-S502 PolarHBondContact N-OG 2.84Å
479	R	96.9	Very high	96.7	Very high	216 Å²	216	66.4 Å²	66.4	82%	0.815	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	130	175.3	-170.6	176.5	-178	178.6	0.7	111	W397 W477	W397-R479 HydrophobicContact CH2-CB 4.19Å; W397-R479 HydrophobicContact CH2-CG 3.76Å; W397-R479 HydrophobicContact CZ3-CG 4.04Å; W477-R479 HydrophobicContact CH2-CB 4.3Å; W477-R479 HydrophobicContact CH2-CG 4.46Å; W477-R479 HydrophobicContact CZ3-CB 3.89Å; W477-R479 HydrophobicContact CZ3-CG 4.48Å
480	G	94.7	Very high	96.8	Very high	42 Å²	42	65.6 Å²	65.6	43%	0.433	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	3.9	176.4	0	0	0	0	0	115.7	W397 Y478 H482	W397-G480 VanDerWaalsContact CE2-N 3.29Å; W397-G480 VanDerWaalsContact CZ2-N 3.3Å; Y478-G480 PolarHBondContact O-N 3.02Å; G480-H482 PolarHBondContact O-N 2.91Å; G480-H482 VanDerWaalsContact O-N 3.07Å
481	G	95.1	Very high	96.8	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	87.4	-72.9	170.5	0	0	0	0	0	113.3	W397 Y483 Y501 S502	W397-G481 VanDerWaalsContact CD1-N 3.25Å; W397-G481 VanDerWaalsContact NE1-N 3.15Å; G481-Y483 PolarHBondContact O-N 3.07Å; G481-Y501 WeakPolarHBondContact O-CA 3.39Å; G481-S502 WeakPolarHBondContact CA-O 3.44Å; G481-S502 PolarHBondContact O-N 3Å
482	H	96.7	Very high	96.8	Very high	150 Å²	150	62.6 Å²	62.6	69%	0.694	28%	0.275	S	S	*	.	B	Isolated β-bridge	trans	-71	130.1	178.7	-60.3	98.6	0	0	0	110.7	G480 Y501	G480-H482 PolarHBondContact O-N 2.91Å; G480-H482 VanDerWaalsContact O-N 3.07Å; H482-Y501 AromaticContact CD2-CD2 3.95Å; H482-Y501 AromaticContact CE1-CD2 3.89Å; H482-Y501 AromaticContact CE1-CE2 3.83Å; H482-Y501 AromaticContact NE2-CD2 3.74Å
483	Y	96.2	Very high	96.8	Very high	31 Å²	31	62.6 Å²	62.6	12%	0.122	28%	0.275	C	S	.	.			trans	-131.4	165.3	178.6	66.5	-83.9	0	0	0	111.2	Y478 G481 Q488 D489 G490 G499 A500	Y478-Y483 HydrophobicContact CD1-CG 4.33Å; Y478-Y483 AromaticContact CD2-CD1 3.74Å; Y478-Y483 HydrophobicContact CD2-CD1 3.74Å; Y478-Y483 AromaticContact CD2-CD2 3.66Å; Y478-Y483 HydrophobicContact CD2-CD2 3.66Å; Y478-Y483 HydrophobicContact CD2-CE1 4.26Å; Y478-Y483 HydrophobicContact CD2-CE2 4.18Å; Y478-Y483 AromaticContact CD2-CG 3.42Å; Y478-Y483 HydrophobicContact CD2-CG 3.42Å; Y478-Y483 VanDerWaalsContact CD2-CG 3.42Å; Y478-Y483 HydrophobicContact CE1-CD2 4.47Å; Y478-Y483 HydrophobicContact CE2-CD1 4.32Å; Y478-Y483 AromaticContact CE2-CD2 3.42Å; Y478-Y483 HydrophobicContact CE2-CD2 3.42Å; Y478-Y483 VanDerWaalsContact CE2-CD2 3.42Å; Y478-Y483 AromaticContact CE2-CE2 3.8Å; Y478-Y483 HydrophobicContact CE2-CE2 3.8Å; Y478-Y483 AromaticContact CE2-CG 3.72Å; Y478-Y483 HydrophobicContact CE2-CG 3.72Å; Y478-Y483 VanDerWaalsContact CG-CB 3.45Å; Y478-Y483 HydrophobicContact CG-CD1 4.21Å; Y478-Y483 HydrophobicContact CG-CD2 4.28Å; Y478-Y483 AromaticContact CG-CG 3.76Å; Y478-Y483 HydrophobicContact CG-CG 3.76Å; Y478-Y483 AromaticContact CZ-CD2 3.88Å; G481-Y483 PolarHBondContact O-N 3.07Å; Y483-Q488 VanDerWaalsContact OH-CA 3.25Å; Y483-Q488 WeakPolarHBondContact OH-CA 2.99Å; Y483-D489 WeakPolarHBondContact CE2-OD1 3.36Å; Y483-D489 PolarHBondContact OH-N 2.7Å; Y483-G490 PolarHBondContact OH-N 2.65Å; Y483-G499 PolarHBondContact OH-O 3.49Å; Y483-A500 VanDerWaalsContact CE1-C 3.41Å
484	R	92.4	Very high	96.8	Very high	254 Å²	254	64.3 Å²	64.3	96%	0.958	29%	0.289	S	S	*	.			trans	-126.6	98.3	174.1	-66.6	-174.6	179.6	111.2	-2.5	108.4
485	S	93.9	Very high	96.7	Very high	51 Å²	51	70.2 Å²	70.2	36%	0.357	32%	0.317	S	S	.	.			trans	-120.2	166	168.5	-176.9	0	0	0	0	109	Y487 D489	S485-Y487 WeakPolarHBondContact CB-O 3.44Å; S485-Y487 PolarHBondContact O-N 3.35Å; S485-D489 WeakPolarHBondContact CB-OD1 3.29Å; S485-D489 WeakPolarHBondContact CB-OD2 3.42Å; S485-D489 VanDerWaalsContact OG-CG 3.31Å; S485-D489 PolarHBondContact OG-OD1 3.47Å; S485-D489 PolarHBondContact OG-OD2 3.31Å
486	R	94.3	Very high	96.7	Very high	211 Å²	211	71.6 Å²	71.6	80%	0.796	32%	0.323	S	S	*	.	S	Bend	trans	-67.9	-24.7	174.1	-178.3	176.6	177.7	-168.5	-0.9	111.8
487	Y	95.1	Very high	96.7	Very high	81 Å²	81	73.6 Å²	73.6	32%	0.318	33%	0.325	S	S	.	.	S	Bend	trans	-127.7	164.2	-178.2	-57.5	-74.3	0	0	0	109.7	Y458 S485 D489	Y458-Y487 AromaticContact CD1-CD1 3.84Å; Y458-Y487 HydrophobicContact CD1-CD1 3.84Å; Y458-Y487 HydrophobicContact CD1-CD2 4.05Å; Y458-Y487 AromaticContact CD1-CE1 3.49Å; Y458-Y487 HydrophobicContact CD1-CE1 3.49Å; Y458-Y487 VanDerWaalsContact CD1-CE1 3.49Å; Y458-Y487 AromaticContact CD1-CE2 3.73Å; Y458-Y487 HydrophobicContact CD1-CE2 3.73Å; Y458-Y487 HydrophobicContact CD1-CG 4.1Å; Y458-Y487 AromaticContact CD1-CZ 3.44Å; Y458-Y487 VanDerWaalsContact CD1-CZ 3.44Å; Y458-Y487 AromaticContact CE1-CE1 3.95Å; Y458-Y487 HydrophobicContact CE1-CE1 3.95Å; Y458-Y487 HydrophobicContact CE1-CE2 4.28Å; Y458-Y487 AromaticContact CE1-CZ 3.71Å; Y458-Y487 HydrophobicContact CG-CD1 4.35Å; Y458-Y487 HydrophobicContact CG-CE1 4.36Å; S485-Y487 WeakPolarHBondContact CB-O 3.44Å; S485-Y487 PolarHBondContact O-N 3.35Å; Y487-D489 VanDerWaalsContact C-N 3.35Å; Y487-D489 PolarHBondContact O-N 3.02Å; Y487-D489 VanDerWaalsContact O-N 3.14Å
488	Q	96.1	Very high	96.6	Very high	107 Å²	107	72.7 Å²	72.7	50%	0.5	33%	0.33	S	S	.	.			trans	-83.2	84.6	170.9	-70.2	178.5	-3.8	0	0	108.6	Q459 Y483 Y492	Q459-Q488 PolarHBondContact OE1-O 3.34Å; Y483-Q488 VanDerWaalsContact OH-CA 3.25Å; Y483-Q488 WeakPolarHBondContact OH-CA 2.99Å; Q488-Y492 HydrophobicContact CB-CE1 4.27Å; Q488-Y492 WeakPolarHBondContact O-CE1 3.47Å
489	D	97.8	Very high	96.4	Very high	6 Å²	6	70.2 Å²	70.2	3%	0.032	32%	0.323	C	S	.	.			trans	-108.3	2.3	-174.1	53	8	0	0	0	114.1	Y458 K460 N472 G475 V476 Y478 Y483 S485 Y487	Y458-D489 WeakPolarHBondContact O-CB 3.28Å; K460-D489 HydrophobicContact CG-CB 3.91Å; N472-D489 PolarHBondContact ND2-O 2.96Å; G475-D489 CarbonylContact C-O 3.58Å; G475-D489 WeakPolarHBondContact CA-O 3.2Å; V476-D489 HydrophobicContact CG2-CB 4.28Å; V476-D489 PolarHBondContact N-O 3.45Å; Y478-D489 WeakPolarHBondContact CE2-OD1 3.45Å; Y478-D489 PolarHBondContact OH-OD1 2.98Å; Y483-D489 WeakPolarHBondContact CE2-OD1 3.36Å; Y483-D489 PolarHBondContact OH-N 2.7Å; S485-D489 WeakPolarHBondContact CB-OD1 3.29Å; S485-D489 WeakPolarHBondContact CB-OD2 3.42Å; S485-D489 VanDerWaalsContact OG-CG 3.31Å; S485-D489 PolarHBondContact OG-OD1 3.47Å; S485-D489 PolarHBondContact OG-OD2 3.31Å; Y487-D489 VanDerWaalsContact C-N 3.35Å; Y487-D489 PolarHBondContact O-N 3.02Å; Y487-D489 VanDerWaalsContact O-N 3.14Å
490	G	97.9	Very high	96.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-68.2	170.8	179.6	0	0	0	0	0	115	N472 V476 Y483 Y492	N472-G490 PolarHBondContact ND2-O 2.92Å; V476-G490 CarbonylContact O-C 3.5Å; V476-G490 VanDerWaalsContact O-CA 3.22Å; V476-G490 WeakPolarHBondContact O-CA 3.32Å; Y483-G490 PolarHBondContact OH-N 2.65Å; G490-Y492 VanDerWaalsContact O-CD1 3.23Å; G490-Y492 WeakPolarHBondContact O-CD1 3.41Å; G490-Y492 PolarHBondContact O-N 3.48Å
491	V	98.6	Very high	96.6	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	-77	81.5	168	-179.6	0	0	0	0	109.6	R347 N472 G475 V476 W477 S502 L503 V506	R347-V491 HydrophobicContact CG-CG1 4.37Å; R347-V491 VanDerWaalsContact NH1-CG2 3.3Å; N472-V491 WeakPolarHBondContact O-CA 3.46Å; G475-V491 WeakPolarHBondContact O-CG2 3.47Å; V476-V491 PolarHBondContact O-N 2.85Å; V476-V491 VanDerWaalsContact O-N 3.07Å; W477-V491 HydrophobicContact CB-CG2 4.12Å; V491-S502 PolarHBondContact N-OG 3.33Å; V491-S502 CarbonylContact O-C 3.41Å; V491-S502 WeakPolarHBondContact O-CA 3.46Å; V491-L503 HydrophobicContact CG1-CB 4.46Å; V491-L503 WeakPolarHBondContact O-CB 3.37Å; V491-L503 WeakPolarHBondContact O-CG 3Å; V491-L503 PolarHBondContact O-N 3.31Å; V491-V506 HydrophobicContact CG1-CG2 3.57Å
492	Y	98.5	Very high	96.8	Very high	7 Å²	7	61.1 Å²	61.1	3%	0.027	29%	0.288	C	S	.	.			trans	-116.5	161.2	-170.4	73.6	-99.9	0	0	0	115	Q459 A469 H470 S471 N472 Q488 G490 Y501	Q459-Y492 PolarHBondContact OE1-OH 3.5Å; A469-Y492 WeakPolarHBondContact CB-OH 3.35Å; A469-Y492 PolarHBondContact O-OH 3.09Å; H470-Y492 WeakPolarHBondContact O-CE2 3.49Å; S471-Y492 WeakPolarHBondContact CA-O 3.3Å; N472-Y492 HydrophobicContact CB-CD1 3.72Å; N472-Y492 HydrophobicContact CB-CE1 3.36Å; N472-Y492 HydrophobicContact CB-CE2 4.48Å; N472-Y492 HydrophobicContact CB-CG 4.39Å; N472-Y492 PolarHBondContact N-O 3.37Å; Q488-Y492 HydrophobicContact CB-CE1 4.27Å; Q488-Y492 WeakPolarHBondContact O-CE1 3.47Å; G490-Y492 VanDerWaalsContact O-CD1 3.23Å; G490-Y492 WeakPolarHBondContact O-CD1 3.41Å; G490-Y492 PolarHBondContact O-N 3.48Å; Y492-Y501 WeakPolarHBondContact CB-O 3.46Å
493	W	98.6	Very high	96.8	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-136	112.2	170	-171.3	-88.8	0	0	0	107.9	I392 L394 A404 Y406 A429 G430 S432 L433 S471 L473 E495 F496 R497 L503	I392-W493 HydrophobicContact CD1-CH2 3.92Å; I392-W493 HydrophobicContact CD1-CZ3 3.78Å; L394-W493 HydrophobicContact CD1-CB 3.74Å; L394-W493 HydrophobicContact CD1-CD2 3.8Å; L394-W493 HydrophobicContact CD1-CE3 4.27Å; L394-W493 HydrophobicContact CD1-CG 3.58Å; A404-W493 HydrophobicContact CB-CH2 3.89Å; A404-W493 HydrophobicContact CB-CZ2 3.6Å; Y406-W493 HydrophobicContact CE2-CH2 4.29Å; Y406-W493 WeakPolarHBondContact OH-CH2 3.34Å; A429-W493 PolarHBondContact O-NE1 3.19Å; G430-W493 VanDerWaalsContact O-CZ2 3.3Å; G430-W493 WeakPolarHBondContact O-CZ2 3.48Å; G430-W493 PolarHBondContact O-NE1 2.67Å; S432-W493 VanDerWaalsContact N-CZ2 3.32Å; S432-W493 PolarHBondContact OG-NE1 2.91Å; L433-W493 HydrophobicContact CB-CH2 3.83Å; L433-W493 HydrophobicContact CB-CZ3 4.28Å; S471-W493 VanDerWaalsContact CB-CE3 3.42Å; L473-W493 HydrophobicContact CD1-CE3 4.37Å; L473-W493 HydrophobicContact CD1-CZ3 4.23Å; L473-W493 HydrophobicContact CD2-CE3 4.15Å; W493-E495 PolarHBondContact O-N 2.95Å; W493-F496 HydrophobicContact CB-CB 4.36Å; W493-F496 HydrophobicContact CG-CB 4.4Å; W493-F496 PolarHBondContact O-N 3.19Å; W493-R497 PolarHBondContact O-N 3.02Å; W493-L503 HydrophobicContact CB-CD1 4.05Å
494	A	98	Very high	96.9	Very high	36 Å²	36	55.3 Å²	55.3	30%	0.298	26%	0.261	S	S	.	.	H	α-helix	trans	-57.8	-48.4	-165.1	0	0	0	0	0	113.1	S432 H470 F496 G498	S432-A494 PolarHBondContact OG-N 3.17Å; H470-A494 HydrophobicContact CB-CB 4.42Å; H470-A494 WeakPolarHBondContact O-CB 3.37Å; H470-A494 PolarHBondContact O-N 3.13Å; A494-F496 PolarHBondContact O-N 2.97Å; A494-G498 VanDerWaalsContact O-CA 3.26Å; A494-G498 WeakPolarHBondContact O-CA 3.42Å; A494-G498 PolarHBondContact O-N 3.45Å
495	E	97.9	Very high	97.2	Very high	125 Å²	125	47.1 Å²	47.1	58%	0.584	23%	0.232	S	C	*	.	H	α-helix	trans	-73.1	-12.1	-176.4	-67	-167.1	-177.4	0	0	114.3	G430 D431 S432 W493	G430-E495 VanDerWaalsContact C-OE2 3.24Å; G430-E495 WeakPolarHBondContact CA-OE2 3.42Å; D431-E495 PolarHBondContact N-OE2 3Å; S432-E495 PolarHBondContact OG-N 3.45Å; S432-E495 VanDerWaalsContact OG-N 3.1Å; W493-E495 PolarHBondContact O-N 2.95Å
496	F	98	Very high	97.4	Very high	30 Å²	30	44.7 Å²	44.7	13%	0.132	22%	0.215	C	C	.	.	H	α-helix	trans	-94.9	-54.7	179.6	177.5	-141.9	0	0	0	112.9	L394 D396 R400 V402 W493 A494 L503	L394-F496 HydrophobicContact CB-CD1 4.41Å; L394-F496 HydrophobicContact CB-CE1 4.47Å; L394-F496 HydrophobicContact CD1-CD1 4.35Å; D396-F496 HydrophobicContact CB-CE1 4.03Å; D396-F496 HydrophobicContact CB-CZ 4.07Å; R400-F496 HydrophobicContact CB-CZ 4.37Å; R400-F496 HydrophobicContact CG-CE2 4.18Å; R400-F496 HydrophobicContact CG-CZ 4.11Å; V402-F496 HydrophobicContact CB-CE2 4.42Å; V402-F496 HydrophobicContact CG1-CD2 3.96Å; V402-F496 HydrophobicContact CG1-CE2 3.62Å; V402-F496 HydrophobicContact CG1-CZ 4.04Å; V402-F496 HydrophobicContact CG2-CB 4.39Å; V402-F496 HydrophobicContact CG2-CD1 3.53Å; V402-F496 HydrophobicContact CG2-CD2 3.78Å; V402-F496 HydrophobicContact CG2-CE1 3.62Å; V402-F496 HydrophobicContact CG2-CE2 3.87Å; V402-F496 HydrophobicContact CG2-CG 3.63Å; V402-F496 HydrophobicContact CG2-CZ 3.81Å; W493-F496 HydrophobicContact CB-CB 4.36Å; W493-F496 HydrophobicContact CG-CB 4.4Å; W493-F496 PolarHBondContact O-N 3.19Å; A494-F496 PolarHBondContact O-N 2.97Å; F496-L503 HydrophobicContact CD1-CD2 3.63Å; F496-L503 HydrophobicContact CE1-CD2 3.68Å
497	R	97.3	Very high	97.6	Very high	91 Å²	91	36 Å²	36	34%	0.343	19%	0.185	S	C	.	.	H	α-helix	trans	-132.8	3.7	-177	-66.5	-56.3	-147.8	160.4	9	114	D396 W493 Y501 L503	D396-R497 IonicContact OD2-CZ 3.6Å; D396-R497 IonicContact OD2-NE 3.57Å; D396-R497 PolarHBondContact OD2-NE 2.93Å; D396-R497 IonicContact OD2-NH2 3.35Å; D396-R497 PolarHBondContact OD2-NH2 3.37Å; W493-R497 PolarHBondContact O-N 3.02Å; R497-Y501 HydrophobicContact CB-CD1 3.57Å; R497-Y501 HydrophobicContact CB-CE1 4.26Å; R497-Y501 HydrophobicContact CB-CG 3.72Å; R497-Y501 HydrophobicContact CG-CD1 3.83Å; R497-Y501 HydrophobicContact CG-CE1 3.98Å; R497-Y501 HydrophobicContact CG-CG 4.28Å; R497-Y501 WeakPolarHBondContact O-CB 3.29Å; R497-L503 HydrophobicContact CG-CD2 4.22Å
498	G	96.1	Very high	97.8	Very high	27 Å²	27	32.1 Å²	32.1	28%	0.278	17%	0.17	S	C	.	.			trans	75	166.3	-176.9	0	0	0	0	0	114	A494 A500 Y501	A494-G498 VanDerWaalsContact O-CA 3.26Å; A494-G498 WeakPolarHBondContact O-CA 3.42Å; A494-G498 PolarHBondContact O-N 3.45Å; G498-A500 PolarHBondContact O-N 2.94Å; G498-Y501 PolarHBondContact O-N 3.3Å
499	G	95	Very high	97.9	Very high	10 Å²	10	27 Å²	27	10%	0.103	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.7	-176.6	0	0	0	0	0	115.6	Y483 Y501	Y483-G499 PolarHBondContact OH-O 3.49Å; G499-Y501 VanDerWaalsContact C-N 3.34Å; G499-Y501 PolarHBondContact O-N 3.14Å
500	A	96.7	Very high	98	Very high	55 Å²	55	26.8 Å²	26.8	46%	0.455	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	13	-179.7	0	0	0	0	0	114.3	Y483 G498	Y483-A500 VanDerWaalsContact CE1-C 3.41Å; G498-A500 PolarHBondContact O-N 2.94Å
501	Y	98.2	Very high	97.9	Very high	12 Å²	12	29 Å²	29	5%	0.047	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-130.3	119.6	-178.1	-170	-80.9	0	0	0	111.6	D396 W397 G481 H482 Y492 R497 G498 G499 L503	D396-Y501 HydrophobicContact CB-CE1 3.96Å; W397-Y501 WeakPolarHBondContact CB-OH 3.39Å; W397-Y501 AromaticContact CD1-CE1 3.88Å; W397-Y501 AromaticContact CD1-CZ 3.8Å; W397-Y501 PolarHBondContact N-OH 3.26Å; G481-Y501 WeakPolarHBondContact O-CA 3.39Å; H482-Y501 AromaticContact CD2-CD2 3.95Å; H482-Y501 AromaticContact CE1-CD2 3.89Å; H482-Y501 AromaticContact CE1-CE2 3.83Å; H482-Y501 AromaticContact NE2-CD2 3.74Å; Y492-Y501 WeakPolarHBondContact CB-O 3.46Å; R497-Y501 HydrophobicContact CB-CD1 3.57Å; R497-Y501 HydrophobicContact CB-CE1 4.26Å; R497-Y501 HydrophobicContact CB-CG 3.72Å; R497-Y501 HydrophobicContact CG-CD1 3.83Å; R497-Y501 HydrophobicContact CG-CE1 3.98Å; R497-Y501 HydrophobicContact CG-CG 4.28Å; R497-Y501 WeakPolarHBondContact O-CB 3.29Å; G498-Y501 PolarHBondContact O-N 3.3Å; G499-Y501 VanDerWaalsContact C-N 3.34Å; G499-Y501 PolarHBondContact O-N 3.14Å; Y501-L503 HydrophobicContact CD1-CD2 4.21Å; Y501-L503 HydrophobicContact CE1-CD2 4.24Å
502	S	98.5	Very high	97.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.			trans	-85.1	119.6	173.5	-172.9	0	0	0	0	110.8	W397 Y478 G481 V491	W397-S502 PolarHBondContact NE1-O 2.9Å; Y478-S502 PolarHBondContact N-OG 2.84Å; G481-S502 WeakPolarHBondContact CA-O 3.44Å; G481-S502 PolarHBondContact O-N 3Å; V491-S502 PolarHBondContact N-OG 3.33Å; V491-S502 CarbonylContact O-C 3.41Å; V491-S502 WeakPolarHBondContact O-CA 3.46Å
503	L	98.6	Very high	97.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.			trans	-62.5	153	174.5	-59.7	171.1	0	0	0	111.1	L394 D396 V491 W493 F496 R497 Y501 V506	L394-L503 HydrophobicContact CB-CD1 4.1Å; L394-L503 HydrophobicContact CD1-CD1 4.06Å; L394-L503 HydrophobicContact CD2-CD1 3.79Å; L394-L503 HydrophobicContact CG-CD1 4.19Å; D396-L503 HydrophobicContact CB-CD2 4.43Å; V491-L503 HydrophobicContact CG1-CB 4.46Å; V491-L503 WeakPolarHBondContact O-CB 3.37Å; V491-L503 WeakPolarHBondContact O-CG 3Å; V491-L503 PolarHBondContact O-N 3.31Å; W493-L503 HydrophobicContact CB-CD1 4.05Å; F496-L503 HydrophobicContact CD1-CD2 3.63Å; F496-L503 HydrophobicContact CE1-CD2 3.68Å; R497-L503 HydrophobicContact CG-CD2 4.22Å; Y501-L503 HydrophobicContact CD1-CD2 4.21Å; Y501-L503 HydrophobicContact CE1-CD2 4.24Å; L503-V506 HydrophobicContact CB-CG2 4.11Å; L503-V506 HydrophobicContact CD1-CG2 4.17Å
504	K	98.4	Very high	96.4	Very high	59 Å²	59	36.5 Å²	36.5	26%	0.257	20%	0.201	S	C	.	.	S	Bend	trans	-83.8	-47.2	-176.2	180	-173.4	165.9	-154.9	0	110.6	L348 E395 W397 W477	L348-K504 CarbonylContact C-O 3.56Å; E395-K504 WeakPolarHBondContact O-CB 3.38Å; E395-K504 PolarHBondContact O-N 2.94Å; E395-K504 WeakPolarHBondContact OE1-CE 3.31Å; E395-K504 IonicContact OE1-NZ 3.21Å; E395-K504 PolarHBondContact OE1-NZ 2.91Å; W397-K504 HydrophobicContact CD2-CB 3.89Å; W397-K504 HydrophobicContact CD2-CD 4.27Å; W397-K504 HydrophobicContact CD2-CG 4.05Å; W397-K504 HydrophobicContact CE3-CD 4.16Å; W397-K504 HydrophobicContact CE3-CG 4.16Å; W397-K504 HydrophobicContact CG-CB 4.1Å; W397-K504 HydrophobicContact CH2-CG 4.15Å; W397-K504 HydrophobicContact CZ2-CB 4.07Å; W397-K504 HydrophobicContact CZ2-CG 4.06Å; W397-K504 HydrophobicContact CZ3-CD 4.48Å; W397-K504 HydrophobicContact CZ3-CG 4.22Å; W477-K504 PolarHBondContact NE1-O 3.43Å
505	K	98.4	Very high	94.8	Very high	81 Å²	81	41 Å²	41	35%	0.352	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.2	172.7	-46.1	-179.1	-169.6	146.8	0	111.1	R347 L348 E395	R347-K505 VanDerWaalsContact O-CA 3.25Å; R347-K505 WeakPolarHBondContact O-CA 3.47Å; L348-K505 HydrophobicContact CB-CG 4.42Å; E395-K505 HydrophobicContact CB-CB 3.91Å; E395-K505 HydrophobicContact CB-CD 4.42Å; E395-K505 HydrophobicContact CB-CG 4.19Å; E395-K505 VanDerWaalsContact CD-NZ 3.28Å; E395-K505 PolarHBondContact N-O 3.13Å; E395-K505 PolarHBondContact O-N 3.22Å; E395-K505 VanDerWaalsContact O-N 3.09Å; E395-K505 VanDerWaalsContact OE1-CE 3.24Å; E395-K505 WeakPolarHBondContact OE1-CE 3.19Å; E395-K505 IonicContact OE1-NZ 2.71Å; E395-K505 PolarHBondContact OE1-NZ 3.19Å; E395-K505 WeakPolarHBondContact OE2-CE 3.32Å; E395-K505 IonicContact OE2-NZ 3.69Å; E395-K505 PolarHBondContact OE2-NZ 2.64Å
506	V	98.4	Very high	92.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	135.8	173.8	177	0	0	0	0	107.8	R346 R347 I392 T393 L394 L473 V491 L503	R346-V506 CarbonylContact C-O 3.54Å; R346-V506 WeakPolarHBondContact CA-O 3.37Å; R347-V506 HydrophobicContact CB-CB 4.08Å; R347-V506 HydrophobicContact CG-CB 4.11Å; R347-V506 PolarHBondContact N-O 3.21Å; R347-V506 PolarHBondContact O-N 3.24Å; I392-V506 HydrophobicContact CG2-CG1 4.49Å; T393-V506 WeakPolarHBondContact O-CA 3.38Å; L394-V506 HydrophobicContact CD2-CB 4.34Å; L394-V506 HydrophobicContact CD2-CG1 3.92Å; L394-V506 HydrophobicContact CD2-CG2 3.87Å; L473-V506 HydrophobicContact CB-CG1 4.19Å; L473-V506 HydrophobicContact CD1-CG1 3.89Å; L473-V506 HydrophobicContact CD2-CG1 3.98Å; L473-V506 HydrophobicContact CD2-CG2 4.19Å; L473-V506 HydrophobicContact CG-CG1 4.23Å; V491-V506 HydrophobicContact CG1-CG2 3.57Å; L503-V506 HydrophobicContact CB-CG2 4.11Å; L503-V506 HydrophobicContact CD1-CG2 4.17Å
507	V	98.5	Very high	90	Very high	28 Å²	28	45 Å²	45	17%	0.17	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.5	167.3	-165.1	0	0	0	0	108.2	V343 R346 I392 T393 M509	V343-V507 HydrophobicContact CB-CG1 4.43Å; V343-V507 HydrophobicContact CG1-CG1 3.65Å; V343-V507 HydrophobicContact CG2-CG1 3.93Å; R346-V507 HydrophobicContact CG-CG2 4.19Å; I392-V507 CarbonylContact C-O 3.58Å; I392-V507 VanDerWaalsContact CA-O 3.31Å; I392-V507 WeakPolarHBondContact CA-O 3.4Å; T393-V507 PolarHBondContact N-O 3.25Å; T393-V507 PolarHBondContact O-N 3.43Å; T393-V507 WeakPolarHBondContact OG1-CB 3.29Å; V507-M509 HydrophobicContact CG1-SD 4.19Å
508	M	98.7	Very high	87.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.7	164.8	-54.7	176.6	65.9	0	0	108.2	I344 Q345 L390 I392 W463 L473	I344-M508 HydrophobicContact CD1-CB 4.3Å; I344-M508 HydrophobicContact CG1-CB 3.82Å; I344-M508 WeakPolarHBondContact CG1-O 2.88Å; I344-M508 PolarHBondContact N-O 3.23Å; Q345-M508 HydrophobicContact CB-CB 3.91Å; Q345-M508 HydrophobicContact CB-CG 4Å; Q345-M508 HydrophobicContact CB-SD 3.88Å; Q345-M508 HydrophobicContact CG-SD 4.24Å; Q345-M508 PolarHBondContact N-O 2.97Å; Q345-M508 PolarHBondContact O-N 3.5Å; L390-M508 HydrophobicContact CD1-CB 4.15Å; L390-M508 HydrophobicContact CD1-CE 4.27Å; L390-M508 HydrophobicContact CD2-CE 4.22Å; I392-M508 HydrophobicContact CD1-CE 4.23Å; I392-M508 HydrophobicContact CG1-CG 4.21Å; I392-M508 HydrophobicContact CG2-CG 4.43Å; W463-M508 HydrophobicContact CH2-CE 3.87Å; W463-M508 HydrophobicContact CH2-SD 3.76Å; W463-M508 HydrophobicContact CZ3-CE 4.37Å; W463-M508 HydrophobicContact CZ3-SD 4Å; L473-M508 HydrophobicContact CD1-CG 4.01Å; L473-M508 HydrophobicContact CD1-SD 3.9Å
509	M	98.4	Very high	86.7	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	147.9	-178.2	57.9	-164	156.7	0	0	112.1	Q336 W341 T342 V343 L391 T393 V507	Q336-M509 VanDerWaalsContact OE1-CE 3.24Å; W341-M509 HydrophobicContact CB-CB 4.18Å; W341-M509 HydrophobicContact CB-CG 4.07Å; W341-M509 HydrophobicContact CB-SD 3.8Å; W341-M509 HydrophobicContact CD2-CG 4.06Å; W341-M509 HydrophobicContact CD2-SD 4.33Å; W341-M509 HydrophobicContact CE3-CB 4.31Å; W341-M509 HydrophobicContact CE3-CG 3.79Å; W341-M509 HydrophobicContact CG-CG 4.21Å; W341-M509 HydrophobicContact CG-SD 3.98Å; T342-M509 CarbonylContact O-C 3.57Å; T342-M509 VanDerWaalsContact O-CA 3.24Å; T342-M509 WeakPolarHBondContact O-CA 3.38Å; T342-M509 WeakPolarHBondContact O-CB 3.38Å; V343-M509 HydrophobicContact CB-CB 4.42Å; V343-M509 HydrophobicContact CG2-CB 4Å; V343-M509 HydrophobicContact CG2-SD 4.31Å; L391-M509 HydrophobicContact CB-CG 4.23Å; L391-M509 HydrophobicContact CD2-CE 3.75Å; L391-M509 HydrophobicContact CG-CE 3.99Å; L391-M509 PolarHBondContact N-O 3.27Å; L391-M509 PolarHBondContact O-N 2.75Å; T393-M509 HydrophobicContact CG2-CE 3.71Å; V507-M509 HydrophobicContact CG1-SD 4.19Å
510	I	98.3	Very high	86.3	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	151.1	-173.9	64.9	176	0	0	0	111.2	T342 I344 L382 T383 Y388 K389 L390 F409	T342-I510 PolarHBondContact N-O 2.81Å; T342-I510 PolarHBondContact O-N 2.93Å; I344-I510 HydrophobicContact CD1-CG2 3.93Å; I344-I510 HydrophobicContact CG2-CD1 3.91Å; I344-I510 HydrophobicContact CG2-CG1 3.9Å; I344-I510 HydrophobicContact CG2-CG2 4.38Å; L382-I510 HydrophobicContact CB-CD1 3.96Å; L382-I510 HydrophobicContact CD1-CD1 4.4Å; T383-I510 HydrophobicContact CG2-CD1 3.79Å; Y388-I510 HydrophobicContact CD1-CB 4.04Å; Y388-I510 HydrophobicContact CD1-CD1 3.92Å; Y388-I510 HydrophobicContact CD1-CG1 3.96Å; Y388-I510 HydrophobicContact CE1-CD1 4.32Å; Y388-I510 HydrophobicContact CE1-CG1 4.45Å; K389-I510 VanDerWaalsContact O-CA 3.25Å; K389-I510 WeakPolarHBondContact O-CA 3.25Å; L390-I510 HydrophobicContact CB-CG2 4.39Å; L390-I510 HydrophobicContact CD1-CG2 3.99Å; F409-I510 HydrophobicContact CD1-CG2 3.59Å; F409-I510 HydrophobicContact CE1-CG2 3.8Å
511	R	96.7	Very high	85.7	Confident	48 Å²	48	54.8 Å²	54.8	18%	0.181	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	145	177.8	-176.9	-177.5	-170.6	-96.3	12.3	109.4	L304 P338 G339 W341 Y388 K389 N513	L304-R511 HydrophobicContact CD2-CG 4.38Å; P338-R511 VanDerWaalsContact CG-CZ 3.46Å; G339-R511 WeakPolarHBondContact O-CD 3.43Å; G339-R511 PolarHBondContact O-NE 3.29Å; W341-R511 HydrophobicContact CD2-CB 4.05Å; W341-R511 HydrophobicContact CE3-CB 3.51Å; W341-R511 HydrophobicContact CH2-CB 4.24Å; W341-R511 HydrophobicContact CZ3-CB 3.61Å; Y388-R511 CarbonylContact C-O 3.58Å; Y388-R511 WeakPolarHBondContact CA-O 3.28Å; Y388-R511 VanDerWaalsContact CD1-C 3.48Å; K389-R511 PolarHBondContact N-O 3.01Å; K389-R511 PolarHBondContact O-N 3.06Å; K389-R511 VanDerWaalsContact O-N 3.09Å; R511-N513 PolarHBondContact O-N 3.26Å
512	P	96.3	Very high	85	Confident	24 Å²	24	57.3 Å²	57.3	16%	0.156	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	139.4	171.7	-28	35.7	0	0	0	112.6	D302 L304 Y388	D302-P512 WeakPolarHBondContact OD2-CG 3.41Å; L304-P512 HydrophobicContact CB-CG 4.29Å; L304-P512 HydrophobicContact CD2-CB 3.97Å; L304-P512 HydrophobicContact CD2-CG 3.86Å; Y388-P512 HydrophobicContact CD1-CG 4.45Å; Y388-P512 HydrophobicContact CE1-CG 3.84Å; Y388-P512 HydrophobicContact CE2-CG 4.49Å
513	N	92.7	Very high	84.1	Confident	31 Å²	31	60.9 Å²	60.9	17%	0.166	30%	0.302	C	S	.	.			trans	-139.1	76.7	178.5	-170.5	21.2	0	0	0	110.5	T387 K389 A407 R511 N515 T516	T387-N513 PolarHBondContact O-N 2.93Å; K389-N513 HydrophobicContact CB-CB 3.86Å; K389-N513 HydrophobicContact CD-CB 4.38Å; K389-N513 HydrophobicContact CG-CB 3.99Å; A407-N513 PolarHBondContact O-ND2 3.15Å; R511-N513 PolarHBondContact O-N 3.26Å; N513-N515 PolarHBondContact O-N 2.95Å; N513-T516 VanDerWaalsContact ND2-CG2 3.31Å; N513-T516 WeakPolarHBondContact ND2-CG2 3.39Å; N513-T516 PolarHBondContact O-OG1 2.98Å
514	P	75.2	Confident	83.2	Confident	108 Å²	108	64.9 Å²	64.9	70%	0.701	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-13.5	-175.7	28.1	-35.5	0	0	0	114.2
515	N	63.8	Low	82.1	Confident	132 Å²	132	65.4 Å²	65.4	71%	0.706	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	8.9	-168.8	-67.4	-12.9	0	0	0	114.7	N513 F517	N513-N515 PolarHBondContact O-N 2.95Å; N515-F517 PolarHBondContact O-N 2.95Å
516	T	54	Low	80.8	Confident	35 Å²	35	64.2 Å²	64.2	22%	0.215	33%	0.325	C	S	.	.			trans	-80.6	97.9	169.4	42.2	0	0	0	0	110.8	T387 A407 N513 H518	T387-T516 WeakPolarHBondContact CG2-OG1 3.48Å; A407-T516 HydrophobicContact CB-CG2 3.79Å; N513-T516 VanDerWaalsContact ND2-CG2 3.31Å; N513-T516 WeakPolarHBondContact ND2-CG2 3.39Å; N513-T516 PolarHBondContact O-OG1 2.98Å; T516-H518 PolarHBondContact O-N 3.46Å
517	F	41	Very low	79.3	Confident	204 Å²	204	69.5 Å²	69.5	90%	0.895	35%	0.352	S	S	*	.			trans	-57.9	127.6	153.4	-64.1	-86.3	0	0	0	108.3	N515	N515-F517 PolarHBondContact O-N 2.95Å
518	H	38.6	Very low	77.6	Confident	223 Å²	223	73.3 Å²	73.3	100%	1.032	37%	0.369	S	S	*	.			trans	-73.8	0	-175.9	-84.6	-77.2	0	0	0	113	T516	T516-H518 PolarHBondContact O-N 3.46Å

Retrieved 518 of 518 residues in 247.3 ms (Link to these results)

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