A0A2K6AGL3_MANLE Loading...

tRNA (guanine(37)-N1)-methyltransferase

Involved in mitochondrial tRNA methylation. Specifically methylates the N1 position of guanosine-37 in various tRNAs. Methylation is not dependent on the nature of the nucleoside 5' of the target nucleoside. This is the first step in the biosynthesis of wybutosine (yW), a modified base adjacent to the anticodon of tRNAs and required for accurate decoding. Specifically methylates the N1 position of guanosine-37 in various cytoplasmic and mitochondrial tRNAs. Methylation is not dependent on the nature of the nucleoside 5' of the target nucleoside. This is the first step in the biosynthesis of wybutosine (yW), a modified base adjacent to the anticodon of tRNAs and required for accurate decoding.

AlphaFold DB , UniProt , Accession A0A2K6AGL3, Species MANLE (Mandrillus leucophaeus, Drill), Gene TRMT5, Length 509 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.7	Very low	25.9	Very low	232 Å²	232	172.9 Å²	172.9	100%	1.143	84%	0.843	S	S	*	*				0	70.8	0	-160.6	173.8	88.3	0	0	107
2	V	22.6	Very low	25.8	Very low	127 Å²	127	175.5 Å²	175.5	77%	0.77	85%	0.847	S	S	*	*				51.8	101.3	62.6	-173.8	0	0	0	0	111.6
3	L	22	Very low	25.8	Very low	137 Å²	137	170.8 Å²	170.8	72%	0.717	84%	0.844	S	S	*	*				-164.9	105.5	107.4	-152.3	70.3	0	0	0	110.9	I5	L3-I5 HydrophobicContact CD2-CD1 4.03Å; L3-I5 HydrophobicContact CD2-CG1 3.94Å; L3-I5 HydrophobicContact CG-CG1 4.16Å
4	W	21.3	Very low	25.9	Very low	251 Å²	251	175.1 Å²	175.1	95%	0.951	85%	0.846	S	S	*	*			trans	-78.1	128.7	156.6	-85.8	48	0	0	0	107.6
5	I	28.6	Very low	25.9	Very low	140 Å²	140	179.7 Å²	179.7	72%	0.718	85%	0.851	S	S	*	*			trans	-105.9	115.5	170.9	-66.4	177.4	0	0	0	108.8	L3	L3-I5 HydrophobicContact CD2-CD1 4.03Å; L3-I5 HydrophobicContact CD2-CG1 3.94Å; L3-I5 HydrophobicContact CG-CG1 4.16Å
6	L	25	Very low	25.9	Very low	143 Å²	143	178.5 Å²	178.5	75%	0.749	85%	0.85	S	S	*	*			trans	-61.5	136.3	173.4	-75.7	109	0	0	0	112.1
7	W	24.6	Very low	25.8	Very low	253 Å²	253	177.8 Å²	177.8	96%	0.958	85%	0.852	S	S	*	*			trans	-109.8	116.7	150.4	-97.4	42.4	0	0	0	109.2
8	R	25.3	Very low	25.7	Very low	220 Å²	220	178.5 Å²	178.5	83%	0.83	85%	0.85	S	S	*	*			trans	-79.4	140.6	177.7	-72.9	-177.3	171.7	-155.5	-1.1	110.6
9	P	27.8	Very low	25.5	Very low	126 Å²	126	177.8 Å²	177.8	82%	0.818	85%	0.851	S	S	*	*			trans	-82.1	128.7	164	31.3	-28.1	0	0	0	110.3	G11	P9-G11 PolarHBondContact O-N 3.25Å
10	F	26.8	Very low	25.5	Very low	202 Å²	202	176.5 Å²	176.5	89%	0.886	84%	0.844	S	S	*	*			trans	-73.1	110.5	168	-99	-91.8	0	0	0	109.5
11	G	25.1	Very low	25.3	Very low	71 Å²	71	179.6 Å²	179.6	73%	0.732	85%	0.847	S	S	*	*			trans	-78.8	127.2	171.1	0	0	0	0	0	111.4	P9	P9-G11 PolarHBondContact O-N 3.25Å
12	F	25.6	Very low	24.7	Very low	204 Å²	204	176.6 Å²	176.6	90%	0.895	83%	0.83	S	S	*	*			trans	-87	113.7	162.2	-92.4	-88.8	0	0	0	109.3	R14	F12-R14 PolarHBondContact O-N 3.25Å
13	S	25.4	Very low	24.7	Very low	115 Å²	115	175.5 Å²	175.5	80%	0.804	83%	0.828	S	S	*	*			trans	-66.7	116.4	171.7	-177.3	0	0	0	0	110.3
14	R	27.6	Very low	24.8	Very low	231 Å²	231	177.1 Å²	177.1	87%	0.872	84%	0.835	S	S	*	*			trans	-82.7	116.2	164.2	-79.3	-176.7	173.2	-160.4	-1.6	108.3	F12 L16	F12-R14 PolarHBondContact O-N 3.25Å; R14-L16 PolarHBondContact O-N 3.08Å
15	R	25.2	Very low	24.9	Very low	243 Å²	243	171.2 Å²	171.2	92%	0.917	83%	0.827	S	S	*	*			trans	-67	111	162.8	-80.7	-176.1	179.1	-167.3	-0.8	108.8
16	L	25.9	Very low	24.7	Very low	161 Å²	161	173.9 Å²	173.9	84%	0.843	84%	0.837	S	S	*	*			trans	-73.3	125.3	162.1	-90.4	120.2	0	0	0	109	R14 K18	R14-L16 PolarHBondContact O-N 3.08Å; L16-K18 PolarHBondContact O-N 3.14Å
17	L	24.6	Very low	24.7	Very low	167 Å²	167	172.1 Å²	172.1	87%	0.874	84%	0.837	S	S	*	*			trans	-73.9	110.6	160.1	-85.3	153.8	0	0	0	107.8	L19	L17-L19 PolarHBondContact O-N 3.42Å
18	K	23.3	Very low	24.7	Very low	190 Å²	190	170.2 Å²	170.2	83%	0.826	84%	0.835	S	S	*	*			trans	-67.6	117.7	163.6	-88.4	178.8	171.3	-178	0	107.9	L16	L16-K18 PolarHBondContact O-N 3.14Å
19	L	23.2	Very low	24.6	Very low	165 Å²	165	164.2 Å²	164.2	86%	0.864	83%	0.827	S	S	*	*			trans	-90.2	110.2	156.9	-112.1	113.1	0	0	0	106.7	L17 R21	L17-L19 PolarHBondContact O-N 3.42Å; L19-R21 PolarHBondContact O-N 3.17Å
20	E	23.8	Very low	24.5	Very low	152 Å²	152	166.2 Å²	166.2	71%	0.71	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-72.2	120	169.3	-76	179.1	166.8	0	0	109.2
21	R	22.2	Very low	24.5	Very low	241 Å²	241	164.3 Å²	164.3	91%	0.909	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-89.7	116.2	163.9	-74.2	-179.7	179.2	-179.4	-1.3	107.3	L19	L19-R21 PolarHBondContact O-N 3.17Å
22	H	23.6	Very low	25.1	Very low	169 Å²	169	165.7 Å²	165.7	78%	0.782	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-90.8	120.7	162.7	-86.6	73	0	0	0	108.9
23	S	21.3	Very low	25	Very low	105 Å²	105	163.8 Å²	163.8	73%	0.734	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-83.8	130.7	168.9	53.9	0	0	0	0	109.7
24	I	24.8	Very low	24.9	Very low	170 Å²	170	161.5 Å²	161.5	87%	0.872	81%	0.81	S	S	*	*			trans	-126.7	108.1	153.6	-61.9	178.5	0	0	0	106.4
25	T	23.3	Very low	24.6	Very low	127 Å²	127	161.3 Å²	161.3	78%	0.779	81%	0.809	S	S	*	*			trans	-81.2	127.9	164	32.3	0	0	0	0	108.8
26	E	25	Very low	24.5	Very low	197 Å²	197	155.3 Å²	155.3	92%	0.921	80%	0.8	S	S	*	*			trans	-159.1	132.2	132.4	-116.2	177.3	-171.2	0	0	111.1
27	S	23.8	Very low	24.4	Very low	106 Å²	106	152.1 Å²	152.1	74%	0.741	79%	0.791	S	S	*	*			trans	-86.6	146.7	-178	53	0	0	0	0	111.9
28	K	25.7	Very low	24.3	Very low	212 Å²	212	150.7 Å²	150.7	92%	0.922	78%	0.784	S	S	*	*			trans	-166.9	152.9	132.1	-106.3	165	-172.7	179.1	0	112
29	S	23.8	Very low	24.3	Very low	95 Å²	95	146.7 Å²	146.7	66%	0.664	78%	0.775	S	S	*	*			trans	-90.7	169.7	-157.7	53.1	0	0	0	0	115.9
30	L	24	Very low	24.3	Very low	167 Å²	167	146.6 Å²	146.6	87%	0.874	77%	0.77	S	S	*	*			trans	112.7	118	148.7	-63.2	158	0	0	0	117
31	I	27.7	Very low	24.3	Very low	162 Å²	162	145.1 Å²	145.1	83%	0.831	77%	0.772	S	S	*	*			trans	-78.5	167.8	161.8	-31.8	166.4	0	0	0	106.7
32	P	36.5	Very low	24.3	Very low	100 Å²	100	141.7 Å²	141.7	65%	0.649	77%	0.77	S	S	*	*			cis	-153.6	-171.7	28.3	38	-11.3	0	0	0	119
33	L	24.5	Very low	24.3	Very low	164 Å²	164	138.6 Å²	138.6	86%	0.859	77%	0.768	S	S	*	*			trans	85.9	151.3	160.1	-55	155.8	0	0	0	116.9
34	A	22.7	Very low	24.4	Very low	68 Å²	68	142.7 Å²	142.7	56%	0.562	78%	0.775	S	S	*	*			cis	178.8	165.6	-30.9	0	0	0	0	0	106.1
35	W	22.2	Very low	24.4	Very low	226 Å²	226	140.2 Å²	140.2	86%	0.856	77%	0.774	S	S	*	*			trans	83.6	111.2	158.8	-70	90.8	0	0	0	121.7
36	T	23.6	Very low	24.6	Very low	117 Å²	117	140.2 Å²	140.2	72%	0.718	78%	0.775	S	S	*	*				59.9	152.6	127	56	0	0	0	0	120.1
37	S	22.7	Very low	24.5	Very low	94 Å²	94	134.2 Å²	134.2	66%	0.657	77%	0.766	S	S	*	*			cis	179.9	171.6	-0.5	161.6	0	0	0	0	105.7
38	L	22.6	Very low	24.6	Very low	138 Å²	138	136.4 Å²	136.4	72%	0.723	77%	0.768	S	S	*	*			trans	103.8	104.8	150.2	-81.1	123.4	0	0	0	120
39	T	22.5	Very low	24.5	Very low	106 Å²	106	136.7 Å²	136.7	65%	0.65	77%	0.77	S	S	*	*				59.8	147.5	120.1	59.8	0	0	0	0	118.8
40	Q	23.2	Very low	24.6	Very low	163 Å²	163	139.5 Å²	139.5	76%	0.762	78%	0.777	S	S	*	*			cis	-171.1	145.9	13.4	-128.3	167.1	-7.7	0	0	107.2
41	T	23.7	Very low	24.9	Very low	121 Å²	121	140 Å²	140	74%	0.742	78%	0.78	S	S	*	*			trans	35	129.5	142.5	55.2	0	0	0	0	122.6
42	L	23.3	Very low	24.8	Very low	168 Å²	168	135.5 Å²	135.5	88%	0.88	77%	0.772	S	S	*	*			trans	-155.2	95.8	143.6	-92.1	163.1	0	0	0	107.5
43	S	23.6	Very low	24.3	Very low	105 Å²	105	139.6 Å²	139.6	73%	0.734	78%	0.783	S	S	*	*				78	110.1	95.5	71.6	0	0	0	0	115.1
44	E	23.9	Very low	24.4	Very low	190 Å²	190	143.5 Å²	143.5	89%	0.888	79%	0.786	S	S	*	*			trans	-75.8	145.6	164.7	-71	-178.9	141.5	0	0	111.7
45	S	23.6	Very low	24.5	Very low	119 Å²	119	150 Å²	150	83%	0.832	80%	0.802	S	S	*	*			trans	-178.5	159.1	141.2	-91	0	0	0	0	112.4
46	P	27.4	Very low	24.7	Very low	126 Å²	126	150.5 Å²	150.5	82%	0.818	80%	0.804	S	S	*	*				-110.2	152.1	-129.1	21.2	-2.2	0	0	0	114.6
47	G	24.2	Very low	24.8	Very low	71 Å²	71	154.7 Å²	154.7	73%	0.732	81%	0.812	S	S	*	*			trans	-134.3	89.1	179.1	0	0	0	0	0	113
48	I	25.6	Very low	24.9	Very low	153 Å²	153	155.7 Å²	155.7	79%	0.785	82%	0.819	S	S	*	*			trans	24.9	103.1	143.9	-53.6	168.7	0	0	0	115.9	L50	I48-L50 HydrophobicContact CG2-CG 4.42Å; I48-L50 PolarHBondContact O-N 3.1Å; I48-L50 VanDerWaalsContact O-N 3.11Å
49	F	24	Very low	25.1	Very low	217 Å²	217	155 Å²	155	95%	0.952	82%	0.821	S	S	*	*			trans	-72.3	97.4	166	-107	-96.5	0	0	0	109.9
50	L	24.9	Very low	25.3	Very low	155 Å²	155	157.7 Å²	157.7	81%	0.812	83%	0.828	S	S	*	*			trans	-76.9	125	164.1	-91.8	158.6	0	0	0	109.6	I48 G52	I48-L50 HydrophobicContact CG2-CG 4.42Å; I48-L50 PolarHBondContact O-N 3.1Å; I48-L50 VanDerWaalsContact O-N 3.11Å; L50-G52 VanDerWaalsContact C-N 3.33Å; L50-G52 PolarHBondContact O-N 3.37Å
51	L	31.2	Very low	25.3	Very low	178 Å²	178	155.2 Å²	155.2	93%	0.932	83%	0.826	S	S	*	*			trans	-62.2	85	176.9	-147.2	85.7	0	0	0	110.3	Q53	L51-Q53 PolarHBondContact O-N 3.5Å
52	G	24.8	Very low	25.5	Very low	66 Å²	66	158 Å²	158	68%	0.68	83%	0.83	S	S	*	*			trans	-81.6	102.5	173.8	0	0	0	0	0	110.9	L50 R54	L50-G52 VanDerWaalsContact C-N 3.33Å; L50-G52 PolarHBondContact O-N 3.37Å; G52-R54 PolarHBondContact O-N 3.26Å
53	Q	26	Very low	26	Very low	187 Å²	187	156.9 Å²	156.9	87%	0.874	82%	0.824	S	S	*	*			trans	-45.9	111.2	162.4	-78.5	179.5	-27.1	0	0	109.2	L51 K55	L51-Q53 PolarHBondContact O-N 3.5Å; Q53-K55 PolarHBondContact O-N 3.34Å
54	R	26.2	Very low	26.3	Very low	246 Å²	246	159.9 Å²	159.9	93%	0.928	83%	0.827	S	S	*	*			trans	-64.2	104.8	171.9	-87	-179.6	173.2	168.3	-1.4	108	G52 R56	G52-R54 PolarHBondContact O-N 3.26Å; R54-R56 PolarHBondContact O-N 2.72Å
55	K	25.6	Very low	26.8	Very low	203 Å²	203	156 Å²	156	88%	0.883	82%	0.816	S	S	*	*			trans	-45	127.5	166.3	-82.6	178.1	174	177.8	0	108.6	Q53	Q53-K55 PolarHBondContact O-N 3.34Å
56	R	26.5	Very low	27.5	Very low	238 Å²	238	156.3 Å²	156.3	90%	0.898	80%	0.804	S	S	*	*			trans	-34.6	136.1	168	-72.9	172.7	173.4	171	-3.4	110.1	R54 S58	R54-R56 PolarHBondContact O-N 2.72Å; R56-S58 PolarHBondContact O-N 3.33Å
57	F	25.5	Very low	28.2	Very low	205 Å²	205	159.3 Å²	159.3	90%	0.899	81%	0.807	S	S	*	*			trans	-38.3	125	166.6	-77	-91	0	0	0	109.5	T59	F57-T59 VanDerWaalsContact C-N 3.34Å; F57-T59 PolarHBondContact O-N 3.06Å
58	S	25.2	Very low	29.1	Very low	114 Å²	114	165.7 Å²	165.7	80%	0.797	81%	0.809	S	S	*	*			trans	-51.7	103.9	168.7	-173.6	0	0	0	0	107	R56 M60	R56-S58 PolarHBondContact O-N 3.33Å; S58-M60 PolarHBondContact O-N 3.1Å
59	T	27.2	Very low	30.2	Very low	123 Å²	123	161.6 Å²	161.6	76%	0.755	79%	0.789	S	S	*	*			trans	-46.6	130.5	151.6	35.1	0	0	0	0	105.6	F57	F57-T59 VanDerWaalsContact C-N 3.34Å; F57-T59 PolarHBondContact O-N 3.06Å
60	M	24.9	Very low	31.8	Very low	164 Å²	164	155 Å²	155	81%	0.808	77%	0.77	S	S	*	*			trans	-46.4	139.7	160.9	-71.4	-179.5	62.4	0	0	106.5	S58 E62	S58-M60 PolarHBondContact O-N 3.1Å; M60-E62 PolarHBondContact O-N 2.74Å
61	P	24.4	Very low	34	Very low	111 Å²	111	155.2 Å²	155.2	72%	0.721	77%	0.766	S	S	*	*			trans	-54.8	114.3	171.4	-8.2	19.7	0	0	0	105.2	I63	P61-I63 VanDerWaalsContact C-N 3.31Å; P61-I63 PolarHBondContact O-N 3.25Å
62	E	28.6	Very low	36.5	Very low	178 Å²	178	149.2 Å²	149.2	83%	0.832	74%	0.735	S	S	*	*			trans	-48.4	114.9	152.7	-82	175.2	153.8	0	0	103.3	M60 E64	M60-E62 PolarHBondContact O-N 2.74Å; E62-E64 PolarHBondContact O-N 3.15Å
63	I	32.8	Very low	39.6	Very low	146 Å²	146	146.5 Å²	146.5	75%	0.749	70%	0.704	S	S	*	*			trans	-60.2	98.6	163.6	-65.7	170	0	0	0	101.9	P61 T65	P61-I63 VanDerWaalsContact C-N 3.31Å; P61-I63 PolarHBondContact O-N 3.25Å; I63-T65 HydrophobicContact CG2-CG2 4.38Å; I63-T65 PolarHBondContact O-N 3.2Å
64	E	29.6	Very low	42.7	Very low	168 Å²	168	139.3 Å²	139.3	79%	0.785	68%	0.675	S	S	*	*			trans	-53	91.2	165.5	-76.2	179.4	169.3	0	0	104.8	E62 H66	E62-E64 PolarHBondContact O-N 3.15Å; E64-H66 PolarHBondContact O-N 3.41Å; E64-H66 VanDerWaalsContact O-N 3.11Å
65	T	35.8	Very low	45.9	Very low	107 Å²	107	128.1 Å²	128.1	66%	0.656	63%	0.634	S	S	*	*			trans	-69.8	106.8	168.9	29.4	0	0	0	0	102.6	I63 E67	I63-T65 HydrophobicContact CG2-CG2 4.38Å; I63-T65 PolarHBondContact O-N 3.2Å; T65-E67 PolarHBondContact O-N 3.17Å; T65-E67 VanDerWaalsContact O-N 3.1Å
66	H	37.1	Very low	49.2	Very low	126 Å²	126	119.5 Å²	119.5	58%	0.583	60%	0.599	S	S	*	*			trans	-48.5	123.6	175.2	-78.4	-72.9	0	0	0	107.4	E64 R68 D69	E64-H66 PolarHBondContact O-N 3.41Å; E64-H66 VanDerWaalsContact O-N 3.11Å; H66-R68 PolarHBondContact O-N 3.23Å; H66-D69 WeakPolarHBondContact O-CB 3.49Å; H66-D69 PolarHBondContact O-N 3.47Å
67	E	43.3	Very low	52.3	Low	189 Å²	189	112.4 Å²	112.4	88%	0.883	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-52.7	-22.7	-178	-72.8	177.9	143.1	0	0	112.9	T65 S70	T65-E67 PolarHBondContact O-N 3.17Å; T65-E67 VanDerWaalsContact O-N 3.1Å; E67-S70 WeakPolarHBondContact O-CB 3.42Å
68	R	42.5	Very low	55.5	Low	206 Å²	206	109.6 Å²	109.6	78%	0.777	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-73.1	-20.2	174.5	-73.2	-170.4	-74.8	-165	-4	115.3	H66 S70 Y143	H66-R68 PolarHBondContact O-N 3.23Å; R68-S70 PolarHBondContact O-N 2.84Å; R68-Y143 VanDerWaalsContact O-CE1 3.25Å; R68-Y143 WeakPolarHBondContact O-CE1 3.27Å; R68-Y143 PolarHBondContact O-OH 3.05Å
69	D	48.1	Very low	58.9	Low	67 Å²	67	104.2 Å²	104.2	36%	0.358	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-69.5	-19.6	177.6	-72.5	-22.6	0	0	0	112.4	H66 Y143	H66-D69 WeakPolarHBondContact O-CB 3.49Å; H66-D69 PolarHBondContact O-N 3.47Å; D69-Y143 HydrophobicContact CB-CE2 4.37Å; D69-Y143 PolarHBondContact O-OH 3.34Å; D69-Y143 WeakPolarHBondContact OD1-CD2 3.4Å
70	S	57.9	Low	62.1	Low	79 Å²	79	102.8 Å²	102.8	55%	0.552	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-40.1	-159	-178.5	0	0	0	0	115.3	E67 R68 S74	E67-S70 WeakPolarHBondContact O-CB 3.42Å; R68-S70 PolarHBondContact O-N 2.84Å; S70-S74 VanDerWaalsContact O-CB 3.22Å; S70-S74 WeakPolarHBondContact O-CB 3.49Å; S70-S74 PolarHBondContact O-N 2.94Å
71	E	70.1	Confident	65.4	Low	158 Å²	158	97 Å²	97	74%	0.738	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-35.5	-168.2	-74	-172.7	174.5	0	0	114.7	F73 S74 K92	E71-F73 VanDerWaalsContact C-N 3.34Å; E71-F73 PolarHBondContact O-N 3.15Å; E71-S74 PolarHBondContact O-N 3.49Å; E71-S74 PolarHBondContact O-OG 2.83Å; E71-K92 PolarHBondContact O-NZ 3.17Å
72	L	85.4	Confident	68.8	Low	52 Å²	52	93.1 Å²	93.1	27%	0.272	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-46.7	-175.2	-172.8	63.8	0	0	0	110.2	K92 V94 P142 Y143	L72-K92 PolarHBondContact O-NZ 3.26Å; L72-V94 HydrophobicContact CD1-CB 4.02Å; L72-V94 HydrophobicContact CD1-CG1 4.11Å; L72-V94 HydrophobicContact CG-CB 4.3Å; L72-V94 HydrophobicContact CG-CG1 4.34Å; L72-V94 WeakPolarHBondContact O-CG1 3.47Å; L72-P142 HydrophobicContact CD2-CB 4.13Å; L72-P142 HydrophobicContact CD2-CG 3.65Å; L72-Y143 VanDerWaalsContact CB-OH 3.29Å; L72-Y143 WeakPolarHBondContact CB-OH 3.48Å
73	F	89	Confident	71.9	Confident	9 Å²	9	88.2 Å²	88.2	4%	0.039	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	14	-176.5	-56.9	-75.9	0	0	0	114.1	E71 V94 I96 L118 R120 I123 P142 Y143 L175 F180	E71-F73 VanDerWaalsContact C-N 3.34Å; E71-F73 PolarHBondContact O-N 3.15Å; F73-V94 HydrophobicContact CD1-CG2 4.46Å; F73-V94 HydrophobicContact CE1-CG2 4.16Å; F73-I96 HydrophobicContact CE1-CG2 4.18Å; F73-I96 HydrophobicContact CZ-CG2 4.06Å; F73-L118 HydrophobicContact CE1-CD2 4.17Å; F73-L118 HydrophobicContact CE2-CD1 4.09Å; F73-L118 HydrophobicContact CZ-CD1 3.77Å; F73-L118 HydrophobicContact CZ-CD2 4.11Å; F73-R120 PolarHBondContact O-NH2 3.02Å; F73-I123 HydrophobicContact CD1-CD1 4.31Å; F73-I123 HydrophobicContact CE1-CD1 4.48Å; F73-P142 HydrophobicContact CE2-CG 3.87Å; F73-P142 HydrophobicContact CZ-CG 3.89Å; F73-Y143 HydrophobicContact CD2-CE2 4.44Å; F73-Y143 HydrophobicContact CE2-CE2 4.14Å; F73-L175 HydrophobicContact CD1-CD1 4.04Å; F73-F180 VanDerWaalsContact O-CE1 3.27Å; F73-F180 WeakPolarHBondContact O-CE1 3.44Å
74	S	90.6	Very high	74.9	Confident	37 Å²	37	89.8 Å²	89.8	26%	0.259	46%	0.462	S	S	.	.	S	Bend	trans	-74.7	152.1	169	59.3	0	0	0	0	111.4	S70 E71 K92	S70-S74 VanDerWaalsContact O-CB 3.22Å; S70-S74 WeakPolarHBondContact O-CB 3.49Å; S70-S74 PolarHBondContact O-N 2.94Å; E71-S74 PolarHBondContact O-N 3.49Å; E71-S74 PolarHBondContact O-OG 2.83Å; S74-K92 VanDerWaalsContact O-CD 3.23Å; S74-K92 WeakPolarHBondContact O-CD 3.37Å; S74-K92 PolarHBondContact O-NZ 2.82Å
75	P	94.1	Very high	78.1	Confident	11 Å²	11	82.8 Å²	82.8	7%	0.071	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-55.2	157.9	166.7	-25	34.9	0	0	0	112.8	F90 F180 E184 A188	P75-F90 HydrophobicContact CB-CD1 3.9Å; P75-F90 HydrophobicContact CB-CE1 4.16Å; P75-F90 HydrophobicContact CG-CD1 4.37Å; P75-F180 HydrophobicContact CB-CE1 4.47Å; P75-F180 HydrophobicContact CB-CZ 4.41Å; P75-F180 HydrophobicContact CG-CB 4.49Å; P75-F180 HydrophobicContact CG-CD1 3.76Å; P75-F180 HydrophobicContact CG-CD2 4.29Å; P75-F180 HydrophobicContact CG-CE1 3.99Å; P75-F180 HydrophobicContact CG-CE2 4.5Å; P75-F180 HydrophobicContact CG-CG 3.92Å; P75-F180 HydrophobicContact CG-CZ 4.36Å; P75-E184 HydrophobicContact CG-CB 4.39Å; P75-A188 HydrophobicContact CB-CB 3.61Å; P75-A188 HydrophobicContact CG-CB 3.79Å
76	P	94.4	Very high	81	Confident	21 Å²	21	81.1 Å²	81.1	14%	0.136	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-53.9	142.3	173.1	-24.7	34.7	0	0	0	112.6	D78 V79 K92	P76-D78 PolarHBondContact O-N 3.37Å; P76-V79 HydrophobicContact CB-CG1 4.47Å; P76-V79 VanDerWaalsContact O-CG2 3.26Å; P76-V79 WeakPolarHBondContact O-CG2 3.26Å; P76-K92 HydrophobicContact CG-CB 4.04Å
77	S	91.2	Very high	83.8	Confident	89 Å²	89	80 Å²	80	62%	0.622	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-62.4	-27.5	176.1	45.8	0	0	0	0	113.2	V79 R80	S77-V79 PolarHBondContact O-N 3.35Å; S77-V79 VanDerWaalsContact O-N 3.15Å; S77-R80 VanDerWaalsContact O-CB 3.25Å; S77-R80 WeakPolarHBondContact O-CB 3.49Å; S77-R80 PolarHBondContact O-N 2.89Å; S77-R80 VanDerWaalsContact O-N 3.1Å
78	D	93.3	Very high	86.4	Confident	146 Å²	146	76 Å²	76	78%	0.781	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-70.6	-11.6	-172	-56.2	-8.4	0	0	0	113.1	P76 R80	P76-D78 PolarHBondContact O-N 3.37Å; D78-R80 PolarHBondContact O-N 3.42Å
79	V	95.9	Very high	89	Confident	2 Å²	2	68 Å²	68	1%	0.012	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-77.6	-5.8	173.8	-49.8	0	0	0	0	112.8	P76 S77 G81 M82 A89 F90 A188 V189	P76-V79 HydrophobicContact CB-CG1 4.47Å; P76-V79 VanDerWaalsContact O-CG2 3.26Å; P76-V79 WeakPolarHBondContact O-CG2 3.26Å; S77-V79 PolarHBondContact O-N 3.35Å; S77-V79 VanDerWaalsContact O-N 3.15Å; V79-G81 PolarHBondContact O-N 2.77Å; V79-M82 HydrophobicContact CB-CE 3.84Å; V79-M82 HydrophobicContact CG1-CE 4.03Å; V79-M82 WeakPolarHBondContact O-CB 3.35Å; V79-M82 PolarHBondContact O-N 3.1Å; V79-A89 HydrophobicContact CG1-CB 4.08Å; V79-A89 WeakPolarHBondContact CG1-O 3.39Å; V79-F90 HydrophobicContact CB-CE1 4.46Å; V79-F90 HydrophobicContact CB-CZ 4.25Å; V79-F90 HydrophobicContact CG1-CD1 4.45Å; V79-F90 HydrophobicContact CG1-CD2 4.47Å; V79-F90 HydrophobicContact CG1-CE1 4.32Å; V79-F90 HydrophobicContact CG1-CE2 4.36Å; V79-F90 HydrophobicContact CG1-CG 4.5Å; V79-F90 HydrophobicContact CG1-CZ 4.27Å; V79-F90 HydrophobicContact CG2-CE1 4.11Å; V79-F90 HydrophobicContact CG2-CZ 4.27Å; V79-A188 HydrophobicContact CG2-CB 3.67Å; V79-V189 HydrophobicContact CB-CG2 4.31Å; V79-V189 HydrophobicContact CG2-CG2 3.96Å
80	R	95.8	Very high	91.3	Very high	93 Å²	93	64.8 Å²	64.8	35%	0.351	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	133.8	-179.2	-170.5	70	63.3	173.7	-4.3	111.1	S77 D78 M82 R187 A188 L190 E192	S77-R80 VanDerWaalsContact O-CB 3.25Å; S77-R80 WeakPolarHBondContact O-CB 3.49Å; S77-R80 PolarHBondContact O-N 2.89Å; S77-R80 VanDerWaalsContact O-N 3.1Å; D78-R80 PolarHBondContact O-N 3.42Å; R80-M82 PolarHBondContact O-N 3.11Å; R80-R187 PolarHBondContact NH1-O 2.88Å; R80-A188 WeakPolarHBondContact CA-O 3.48Å; R80-A188 WeakPolarHBondContact CD-O 2.88Å; R80-A188 VanDerWaalsContact CZ-O 3.24Å; R80-A188 PolarHBondContact NE-O 2.86Å; R80-A188 VanDerWaalsContact NE-O 3.08Å; R80-L190 WeakPolarHBondContact CD-O 3.15Å; R80-L190 PolarHBondContact NH1-O 2.85Å; R80-E192 IonicContact NH2-OE1 3.55Å
81	G	94.6	Very high	93.1	Very high	42 Å²	42	66.5 Å²	66.5	43%	0.433	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	2.4	-179.9	0	0	0	0	0	114.4	V79 T83 V189	V79-G81 PolarHBondContact O-N 2.77Å; G81-T83 PolarHBondContact O-N 2.94Å; G81-V189 PolarHBondContact N-O 2.81Å
82	M	94.8	Very high	94.3	Very high	29 Å²	29	61.3 Å²	61.3	14%	0.143	33%	0.329	C	S	.	.			trans	-60	124.2	175	-179	-170.6	-65.5	0	0	110.8	V79 R80 K84 L85 D86 A89 F90 V189 F218 L221	V79-M82 HydrophobicContact CB-CE 3.84Å; V79-M82 HydrophobicContact CG1-CE 4.03Å; V79-M82 WeakPolarHBondContact O-CB 3.35Å; V79-M82 PolarHBondContact O-N 3.1Å; R80-M82 PolarHBondContact O-N 3.11Å; M82-K84 WeakPolarHBondContact CG-O 3.46Å; M82-K84 VanDerWaalsContact SD-O 3.38Å; M82-L85 HydrophobicContact SD-CD1 4.46Å; M82-D86 HydrophobicContact CE-CB 4.13Å; M82-D86 HydrophobicContact SD-CB 4.34Å; M82-D86 PolarHBondContact SD-N 3.17Å; M82-A89 HydrophobicContact CE-CB 3.65Å; M82-F90 HydrophobicContact CE-CE2 4.29Å; M82-F90 HydrophobicContact SD-CE2 4.22Å; M82-V189 HydrophobicContact CB-CG1 4.11Å; M82-V189 HydrophobicContact CB-CG2 4.49Å; M82-V189 WeakPolarHBondContact O-CG1 3.36Å; M82-F218 VanDerWaalsContact O-CD1 3.23Å; M82-F218 WeakPolarHBondContact O-CD1 2.99Å; M82-F218 WeakPolarHBondContact O-CE1 3.33Å; M82-L221 HydrophobicContact CB-CD1 4.37Å; M82-L221 HydrophobicContact CG-CD1 3.89Å; M82-L221 WeakPolarHBondContact O-CD1 3.37Å; M82-L221 HydrophobicContact SD-CD1 4.04Å
83	T	93.5	Very high	94.7	Very high	75 Å²	75	62.8 Å²	62.8	46%	0.46	34%	0.34	S	S	.	.			trans	-105.8	-20.4	178.3	53.6	0	0	0	0	113.4	G81 F218	G81-T83 PolarHBondContact O-N 2.94Å; T83-F218 HydrophobicContact CG2-CD1 4.12Å; T83-F218 HydrophobicContact CG2-CE1 3.96Å
84	K	95.6	Very high	94.9	Very high	180 Å²	180	62.6 Å²	62.6	78%	0.783	34%	0.34	S	S	*	.	S	Bend	trans	-113.9	124.3	172	-66.6	-177.2	-179.8	178.8	0	108.5	M82 D86	M82-K84 WeakPolarHBondContact CG-O 3.46Å; M82-K84 VanDerWaalsContact SD-O 3.38Å; K84-D86 PolarHBondContact O-N 3.19Å; K84-D86 VanDerWaalsContact O-N 3.1Å
85	L	96.4	Very high	95	Very high	20 Å²	20	64 Å²	64	11%	0.105	35%	0.345	C	S	.	.			trans	-67.2	110.8	-173.6	-175.7	62.6	0	0	0	111.4	M82 R87 F90 Y177 L221 Q224 V225	M82-L85 HydrophobicContact SD-CD1 4.46Å; L85-R87 HydrophobicContact CD2-CG 4.25Å; L85-R87 HydrophobicContact CG-CG 4.18Å; L85-F90 HydrophobicContact CD1-CE2 3.88Å; L85-F90 HydrophobicContact CD1-CZ 4.35Å; L85-Y177 HydrophobicContact CD1-CE2 3.96Å; L85-Y177 HydrophobicContact CD2-CE2 4.25Å; L85-L221 HydrophobicContact CB-CD1 4.13Å; L85-L221 HydrophobicContact CB-CG 4.02Å; L85-L221 HydrophobicContact CD1-CD1 4.2Å; L85-L221 HydrophobicContact CD1-CG 4.16Å; L85-Q224 HydrophobicContact CD2-CB 3.88Å; L85-V225 HydrophobicContact CD1-CG2 4.13Å; L85-V225 HydrophobicContact CD2-CG2 4.12Å
86	D	96.9	Very high	94.9	Very high	72 Å²	72	63.5 Å²	63.5	39%	0.385	34%	0.341	S	S	.	.			trans	-102.9	107.7	163.8	-179.9	3.2	0	0	0	109.2	M82 K84 T88 A89 F90	M82-D86 HydrophobicContact CE-CB 4.13Å; M82-D86 HydrophobicContact SD-CB 4.34Å; M82-D86 PolarHBondContact SD-N 3.17Å; K84-D86 PolarHBondContact O-N 3.19Å; K84-D86 VanDerWaalsContact O-N 3.1Å; D86-T88 VanDerWaalsContact C-N 3.25Å; D86-T88 PolarHBondContact O-N 3.22Å; D86-T88 WeakPolarHBondContact OD1-CB 3.23Å; D86-T88 PolarHBondContact OD1-N 2.8Å; D86-T88 PolarHBondContact OD1-OG1 2.62Å; D86-T88 PolarHBondContact OD2-OG1 3.35Å; D86-A89 HydrophobicContact CB-CB 4.18Å; D86-A89 PolarHBondContact O-N 2.95Å; D86-F90 VanDerWaalsContact O-CD2 3.24Å; D86-F90 WeakPolarHBondContact O-CD2 3.31Å; D86-F90 WeakPolarHBondContact O-CE2 3.42Å
87	R	97.1	Very high	94.9	Very high	102 Å²	102	63.3 Å²	63.3	39%	0.385	34%	0.34	S	S	.	.	S	Bend	trans	-68.7	-26	-179.6	-63.8	175	-176.2	79.5	-3.9	112.1	L85 A89 F90 Y177 D228	L85-R87 HydrophobicContact CD2-CG 4.25Å; L85-R87 HydrophobicContact CG-CG 4.18Å; R87-A89 VanDerWaalsContact C-N 3.35Å; R87-F90 PolarHBondContact O-N 3.24Å; R87-Y177 HydrophobicContact CB-CD1 4.32Å; R87-Y177 HydrophobicContact CB-CG 4.04Å; R87-Y177 HydrophobicContact CG-CD1 3.91Å; R87-Y177 HydrophobicContact CG-CD2 4.23Å; R87-Y177 HydrophobicContact CG-CE1 4.11Å; R87-Y177 HydrophobicContact CG-CE2 4.43Å; R87-Y177 HydrophobicContact CG-CG 3.96Å; R87-D228 IonicContact CZ-OD2 2.74Å; R87-D228 IonicContact NE-OD2 3.16Å; R87-D228 PolarHBondContact NE-OD2 3.29Å; R87-D228 VanDerWaalsContact NH2-CG 3.35Å; R87-D228 IonicContact NH2-OD1 3.8Å; R87-D228 PolarHBondContact NH2-OD1 2.89Å; R87-D228 VanDerWaalsContact NH2-OD1 3.1Å; R87-D228 IonicContact NH2-OD2 2.89Å; R87-D228 PolarHBondContact NH2-OD2 3.12Å
88	T	97	Very high	95.1	Very high	107 Å²	107	59.1 Å²	59.1	66%	0.656	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-74.4	-29.5	-177.7	70.6	0	0	0	0	111.8	D86 F90 K91	D86-T88 VanDerWaalsContact C-N 3.25Å; D86-T88 PolarHBondContact O-N 3.22Å; D86-T88 WeakPolarHBondContact OD1-CB 3.23Å; D86-T88 PolarHBondContact OD1-N 2.8Å; D86-T88 PolarHBondContact OD1-OG1 2.62Å; D86-T88 PolarHBondContact OD2-OG1 3.35Å; T88-F90 PolarHBondContact O-N 3.36Å; T88-F90 VanDerWaalsContact O-N 3.1Å; T88-K91 VanDerWaalsContact O-CB 3.3Å; T88-K91 WeakPolarHBondContact O-CB 3.45Å; T88-K91 PolarHBondContact O-N 3.32Å
89	A	96.9	Very high	95.2	Very high	36 Å²	36	52.2 Å²	52.2	30%	0.298	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-63.8	-12.7	175	0	0	0	0	0	113.9	V79 M82 D86 R87 K91	V79-A89 HydrophobicContact CG1-CB 4.08Å; V79-A89 WeakPolarHBondContact CG1-O 3.39Å; M82-A89 HydrophobicContact CE-CB 3.65Å; D86-A89 HydrophobicContact CB-CB 4.18Å; D86-A89 PolarHBondContact O-N 2.95Å; R87-A89 VanDerWaalsContact C-N 3.35Å; A89-K91 VanDerWaalsContact C-N 3.27Å
90	F	96.4	Very high	95.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-83.7	0.6	174.5	-69.7	-95.7	0	0	0	113.3	P75 V79 M82 L85 D86 R87 T88 K92 Y177 F180 I185 V189	P75-F90 HydrophobicContact CB-CD1 3.9Å; P75-F90 HydrophobicContact CB-CE1 4.16Å; P75-F90 HydrophobicContact CG-CD1 4.37Å; V79-F90 HydrophobicContact CB-CE1 4.46Å; V79-F90 HydrophobicContact CB-CZ 4.25Å; V79-F90 HydrophobicContact CG1-CD1 4.45Å; V79-F90 HydrophobicContact CG1-CD2 4.47Å; V79-F90 HydrophobicContact CG1-CE1 4.32Å; V79-F90 HydrophobicContact CG1-CE2 4.36Å; V79-F90 HydrophobicContact CG1-CG 4.5Å; V79-F90 HydrophobicContact CG1-CZ 4.27Å; V79-F90 HydrophobicContact CG2-CE1 4.11Å; V79-F90 HydrophobicContact CG2-CZ 4.27Å; M82-F90 HydrophobicContact CE-CE2 4.29Å; M82-F90 HydrophobicContact SD-CE2 4.22Å; L85-F90 HydrophobicContact CD1-CE2 3.88Å; L85-F90 HydrophobicContact CD1-CZ 4.35Å; D86-F90 VanDerWaalsContact O-CD2 3.24Å; D86-F90 WeakPolarHBondContact O-CD2 3.31Å; D86-F90 WeakPolarHBondContact O-CE2 3.42Å; R87-F90 PolarHBondContact O-N 3.24Å; T88-F90 PolarHBondContact O-N 3.36Å; T88-F90 VanDerWaalsContact O-N 3.1Å; F90-K92 PolarHBondContact O-N 3.16Å; F90-Y177 HydrophobicContact CD1-CD2 4.38Å; F90-Y177 AromaticContact CD2-CD2 3.8Å; F90-Y177 HydrophobicContact CD2-CD2 3.8Å; F90-Y177 HydrophobicContact CE2-CD2 4.08Å; F90-Y177 AromaticContact CG-CD2 3.98Å; F90-Y177 HydrophobicContact CG-CD2 3.98Å; F90-F180 HydrophobicContact CB-CD2 4.3Å; F90-F180 HydrophobicContact CB-CE2 4.14Å; F90-F180 HydrophobicContact CD1-CD2 4.23Å; F90-F180 WeakPolarHBondContact O-CE2 3.36Å; F90-I185 HydrophobicContact CD1-CG1 4.27Å; F90-I185 HydrophobicContact CE1-CB 4.13Å; F90-I185 HydrophobicContact CE1-CG1 3.94Å; F90-I185 HydrophobicContact CE1-CG2 3.78Å; F90-I185 HydrophobicContact CZ-CG2 3.72Å; F90-V189 HydrophobicContact CE1-CG2 4.42Å; F90-V189 HydrophobicContact CZ-CG2 3.8Å
91	K	96.4	Very high	95	Very high	116 Å²	116	52.1 Å²	52.1	50%	0.504	28%	0.276	S	S	.	.			trans	-65.9	124.2	179.4	-174.3	172.9	173.5	144.2	0	110.8	T88 A89 E174 L175	T88-K91 VanDerWaalsContact O-CB 3.3Å; T88-K91 WeakPolarHBondContact O-CB 3.45Å; T88-K91 PolarHBondContact O-N 3.32Å; A89-K91 VanDerWaalsContact C-N 3.27Å; K91-E174 WeakPolarHBondContact CE-OE1 3.31Å; K91-E174 WeakPolarHBondContact CE-OE2 3.23Å; K91-E174 HydrophobicContact CG-CG 4.24Å; K91-E174 IonicContact NZ-OE1 3.99Å; K91-E174 PolarHBondContact NZ-OE1 3.36Å; K91-E174 IonicContact NZ-OE2 2.74Å; K91-E174 PolarHBondContact NZ-OE2 2.89Å; K91-L175 CarbonylContact C-O 3.59Å; K91-L175 VanDerWaalsContact CA-O 3.32Å; K91-L175 WeakPolarHBondContact CA-O 3.23Å
92	K	94.4	Very high	94.9	Very high	49 Å²	49	56.4 Å²	56.4	21%	0.213	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	132.2	177.5	-170.3	-177.4	-175.5	-174.3	0	109.9	E71 L72 S74 P76 F90 V94 L175	E71-K92 PolarHBondContact O-NZ 3.17Å; L72-K92 PolarHBondContact O-NZ 3.26Å; S74-K92 VanDerWaalsContact O-CD 3.23Å; S74-K92 WeakPolarHBondContact O-CD 3.37Å; S74-K92 PolarHBondContact O-NZ 2.82Å; P76-K92 HydrophobicContact CG-CB 4.04Å; F90-K92 PolarHBondContact O-N 3.16Å; K92-V94 HydrophobicContact CD-CG1 4.16Å; K92-V94 HydrophobicContact CG-CG1 4.22Å; K92-L175 HydrophobicContact CB-CB 4.43Å; K92-L175 PolarHBondContact N-O 3.01Å; K92-L175 WeakPolarHBondContact O-CA 3.05Å; K92-L175 WeakPolarHBondContact O-CB 3.25Å; K92-L175 PolarHBondContact O-N 3.22Å
93	T	95.1	Very high	94.8	Very high	83 Å²	83	58.9 Å²	58.9	51%	0.509	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.4	172.1	-57.5	0	0	0	0	109.6	N172 L173	T93-N172 HydrophobicContact CG2-CB 3.76Å; T93-L173 WeakPolarHBondContact CA-O 3.47Å
94	V	92.8	Very high	94.8	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.024	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138.4	177.2	-59.9	0	0	0	0	109.7	L72 F73 K92 I96 L173 L175	L72-V94 HydrophobicContact CD1-CB 4.02Å; L72-V94 HydrophobicContact CD1-CG1 4.11Å; L72-V94 HydrophobicContact CG-CB 4.3Å; L72-V94 HydrophobicContact CG-CG1 4.34Å; L72-V94 WeakPolarHBondContact O-CG1 3.47Å; F73-V94 HydrophobicContact CD1-CG2 4.46Å; F73-V94 HydrophobicContact CE1-CG2 4.16Å; K92-V94 HydrophobicContact CD-CG1 4.16Å; K92-V94 HydrophobicContact CG-CG1 4.22Å; V94-I96 HydrophobicContact CG2-CG2 4.08Å; V94-L173 HydrophobicContact CG2-CB 3.94Å; V94-L173 HydrophobicContact CG2-CD2 4.24Å; V94-L173 HydrophobicContact CG2-CG 4.37Å; V94-L173 PolarHBondContact N-O 3.09Å; V94-L173 PolarHBondContact O-N 3.31Å; V94-L175 HydrophobicContact CG1-CD1 3.84Å; V94-L175 HydrophobicContact CG2-CD1 3.95Å; V94-L175 HydrophobicContact CG2-CG 4.09Å
95	N	92.4	Very high	94.7	Very high	68 Å²	68	52.6 Å²	52.6	36%	0.364	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	121.5	176.4	-166	-86.7	0	0	0	109	K170 Y171 N172	N95-K170 VanDerWaalsContact OD1-CB 3.32Å; N95-K170 WeakPolarHBondContact OD1-CB 3.27Å; N95-K170 WeakPolarHBondContact OD1-CD 3.23Å; N95-K170 WeakPolarHBondContact OD1-CG 3.35Å; N95-Y171 WeakPolarHBondContact CA-O 3.48Å; N95-N172 PolarHBondContact ND2-OD1 2.95Å
96	I	92.5	Very high	94.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	147.3	-178.1	56.9	167.4	0	0	0	111.5	F73 V94 V98 L118 L139 Y171 L173	F73-I96 HydrophobicContact CE1-CG2 4.18Å; F73-I96 HydrophobicContact CZ-CG2 4.06Å; V94-I96 HydrophobicContact CG2-CG2 4.08Å; I96-V98 HydrophobicContact CG1-CG1 4.34Å; I96-L118 HydrophobicContact CD1-CD2 4.5Å; I96-L139 HydrophobicContact CD1-CB 4.03Å; I96-L139 HydrophobicContact CD1-CD1 3.78Å; I96-L139 HydrophobicContact CD1-CD2 3.64Å; I96-L139 HydrophobicContact CD1-CG 4.01Å; I96-Y171 PolarHBondContact N-O 3.49Å; I96-Y171 PolarHBondContact O-N 3.06Å; I96-L173 HydrophobicContact CD1-CB 3.79Å; I96-L173 HydrophobicContact CD1-CD2 3.74Å; I96-L173 HydrophobicContact CD1-CG 4.3Å; I96-L173 HydrophobicContact CG1-CB 3.99Å
97	P	94.4	Very high	94.1	Very high	17 Å²	17	53.2 Å²	53.2	11%	0.11	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	138.2	173.1	26.8	-29.9	0	0	0	110.1	L140 P142 I145 I168 S169	P97-L140 HydrophobicContact CB-CB 4.2Å; P97-L140 HydrophobicContact CB-CD1 4.44Å; P97-L140 HydrophobicContact CG-CB 4.04Å; P97-L140 WeakPolarHBondContact O-CB 3.49Å; P97-L140 PolarHBondContact O-N 2.85Å; P97-P142 HydrophobicContact CG-CB 4.19Å; P97-I145 WeakPolarHBondContact CG-O 3.46Å; P97-I168 HydrophobicContact CB-CG2 3.46Å; P97-I168 VanDerWaalsContact CB-CG2 3.46Å; P97-S169 CarbonylContact C-O 3.53Å; P97-S169 WeakPolarHBondContact CA-O 3.39Å
98	V	95	Very high	93.8	Very high	1 Å²	1	56 Å²	56	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152.2	176.7	-56.7	0	0	0	0	111.3	I96 L137 I138 L139 S169 Y171	I96-V98 HydrophobicContact CG1-CG1 4.34Å; V98-L137 HydrophobicContact CB-CB 4.27Å; V98-L137 HydrophobicContact CG2-CB 4.44Å; V98-L137 HydrophobicContact CG2-CD1 4.47Å; V98-L137 HydrophobicContact CG2-CD2 4.25Å; V98-I138 CarbonylContact C-O 3.5Å; V98-I138 VanDerWaalsContact CA-O 3.23Å; V98-I138 WeakPolarHBondContact CA-O 3.34Å; V98-I138 WeakPolarHBondContact CB-O 3.4Å; V98-L139 HydrophobicContact CG1-CD2 3.52Å; V98-S169 VanDerWaalsContact CG2-OG 3.22Å; V98-S169 WeakPolarHBondContact CG2-OG 3.29Å; V98-S169 PolarHBondContact N-O 2.89Å; V98-S169 PolarHBondContact O-N 3.02Å; V98-Y171 VanDerWaalsContact CG1-CB 3.44Å; V98-Y171 HydrophobicContact CG1-CG 4.27Å
99	L	94.6	Very high	93.4	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.3	170.2	-176.2	70.1	0	0	0	109.1	V101 L109 L113 I138 L140 L159 V164 S165	L99-V101 HydrophobicContact CD2-CG1 3.83Å; L99-V101 HydrophobicContact CG-CG1 3.76Å; L99-L109 HydrophobicContact CD2-CD2 4.09Å; L99-L113 HydrophobicContact CD2-CD1 3.73Å; L99-I138 HydrophobicContact CB-CB 4.37Å; L99-I138 PolarHBondContact N-O 3.06Å; L99-I138 PolarHBondContact O-N 2.92Å; L99-L140 HydrophobicContact CB-CD1 4.12Å; L99-L140 HydrophobicContact CB-CD2 4.41Å; L99-L140 HydrophobicContact CB-CG 4.45Å; L99-L159 HydrophobicContact CD2-CD2 3.67Å; L99-V164 HydrophobicContact CD1-CG1 4.35Å; L99-V164 HydrophobicContact CD2-CG1 4.22Å; L99-V164 HydrophobicContact CG-CG1 4.43Å; L99-S165 WeakPolarHBondContact CD1-O 3.5Å
100	K	94.1	Very high	93.2	Very high	88 Å²	88	50.7 Å²	50.7	38%	0.383	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	124.9	174.5	179.2	169.5	173.3	146.9	0	110	D129 D132 S135 L137	K100-D129 WeakPolarHBondContact CD-OD2 3.39Å; K100-D129 WeakPolarHBondContact CE-OD2 3.3Å; K100-D129 IonicContact NZ-OD2 3.39Å; K100-D129 PolarHBondContact NZ-OD2 3.21Å; K100-D132 IonicContact NZ-OD2 2.8Å; K100-D132 PolarHBondContact NZ-OD2 2.75Å; K100-S135 VanDerWaalsContact CE-OG 3.27Å; K100-S135 WeakPolarHBondContact CE-OG 3.17Å; K100-L137 HydrophobicContact CB-CD2 3.93Å; K100-L137 HydrophobicContact CG-CD2 4.23Å
101	V	94.1	Very high	92.8	Very high	4 Å²	4	61 Å²	61	2%	0.024	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	152.3	-177.4	-56.8	0	0	0	0	111.3	L99 I105 V106 L109 S135 R136 I138 V164	L99-V101 HydrophobicContact CD2-CG1 3.83Å; L99-V101 HydrophobicContact CG-CG1 3.76Å; V101-I105 HydrophobicContact CB-CD1 4.36Å; V101-I105 HydrophobicContact CB-CG1 4.47Å; V101-V106 HydrophobicContact CG2-CG2 3.6Å; V101-L109 HydrophobicContact CB-CD2 4.46Å; V101-L109 HydrophobicContact CG1-CD2 3.68Å; V101-S135 CarbonylContact O-C 3.6Å; V101-S135 VanDerWaalsContact O-CA 3.31Å; V101-S135 WeakPolarHBondContact O-CA 3.45Å; V101-R136 HydrophobicContact CG2-CB 4.42Å; V101-R136 PolarHBondContact N-O 2.95Å; V101-R136 PolarHBondContact O-N 3.11Å; V101-I138 HydrophobicContact CG1-CD1 4.08Å; V101-I138 HydrophobicContact CG2-CD1 3.81Å; V101-I138 HydrophobicContact CG2-CG1 3.92Å; V101-V164 HydrophobicContact CG1-CG1 3.86Å
102	R	92.8	Very high	92.5	Very high	133 Å²	133	58 Å²	58	50%	0.502	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	141.9	173.9	-61.4	-176.2	-72.4	-179.9	-3.2	111	E104 I105	R102-E104 VanDerWaalsContact CB-OE2 3.32Å; R102-E104 WeakPolarHBondContact CB-OE2 3.32Å; R102-E104 PolarHBondContact O-N 2.99Å; R102-E104 VanDerWaalsContact O-N 3.14Å; R102-I105 HydrophobicContact CB-CD1 4.47Å; R102-I105 HydrophobicContact CB-CG1 4.21Å; R102-I105 WeakPolarHBondContact O-CG1 3.34Å; R102-I105 PolarHBondContact O-N 3.27Å
103	K	93.1	Very high	92.3	Very high	81 Å²	81	55.6 Å²	55.6	35%	0.352	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.7	-174.8	66.2	-176.1	175.8	-168.6	0	113.6	I105 E134 R136	K103-I105 VanDerWaalsContact C-N 3.32Å; K103-I105 PolarHBondContact O-N 3.26Å; K103-E134 WeakPolarHBondContact CB-O 3.29Å; K103-E134 WeakPolarHBondContact CE-OE2 3.33Å; K103-E134 WeakPolarHBondContact CG-O 3.45Å; K103-E134 PolarHBondContact N-O 2.84Å; K103-E134 IonicContact NZ-OE1 2.74Å; K103-E134 PolarHBondContact NZ-OE1 2.88Å; K103-E134 IonicContact NZ-OE2 2.66Å; K103-E134 PolarHBondContact NZ-OE2 3.5Å; K103-R136 HydrophobicContact CB-CG 4.1Å
104	E	92.8	Very high	92	Very high	106 Å²	106	59.7 Å²	59.7	50%	0.495	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-28.3	-174.7	-53.7	73.6	-151.3	0	0	112.7	R102	R102-E104 VanDerWaalsContact CB-OE2 3.32Å; R102-E104 WeakPolarHBondContact CB-OE2 3.32Å; R102-E104 PolarHBondContact O-N 2.99Å; R102-E104 VanDerWaalsContact O-N 3.14Å
105	I	92.6	Very high	91.8	Very high	17 Å²	17	64.9 Å²	64.9	9%	0.087	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-11.6	-173.5	60.8	168.5	0	0	0	113.4	V101 R102 K103 S107 R108 L109 V164	V101-I105 HydrophobicContact CB-CD1 4.36Å; V101-I105 HydrophobicContact CB-CG1 4.47Å; R102-I105 HydrophobicContact CB-CD1 4.47Å; R102-I105 HydrophobicContact CB-CG1 4.21Å; R102-I105 WeakPolarHBondContact O-CG1 3.34Å; R102-I105 PolarHBondContact O-N 3.27Å; K103-I105 VanDerWaalsContact C-N 3.32Å; K103-I105 PolarHBondContact O-N 3.26Å; I105-S107 VanDerWaalsContact C-N 3.29Å; I105-S107 PolarHBondContact O-N 3.2Å; I105-R108 PolarHBondContact O-N 2.59Å; I105-R108 VanDerWaalsContact O-N 3.13Å; I105-L109 WeakPolarHBondContact O-CB 3.47Å; I105-L109 PolarHBondContact O-N 2.97Å; I105-V164 HydrophobicContact CD1-CG2 3.22Å
106	V	91.8	Very high	91.7	Very high	21 Å²	21	61.7 Å²	61.7	13%	0.127	27%	0.271	C	S	.	.	H	α-helix	trans	-49.3	-48.9	-178.8	172.6	0	0	0	0	111.7	V101 R108 L109 M110 V126 R136	V101-V106 HydrophobicContact CG2-CG2 3.6Å; V106-R108 VanDerWaalsContact C-N 3.32Å; V106-R108 PolarHBondContact O-N 3.16Å; V106-L109 PolarHBondContact O-N 3.05Å; V106-M110 HydrophobicContact CG1-CG 3.99Å; V106-M110 WeakPolarHBondContact O-CB 3.49Å; V106-M110 VanDerWaalsContact O-CG 3.23Å; V106-M110 WeakPolarHBondContact O-CG 3.38Å; V106-M110 PolarHBondContact O-N 3.33Å; V106-V126 HydrophobicContact CG1-CB 4.48Å; V106-V126 HydrophobicContact CG1-CG1 3.98Å; V106-V126 HydrophobicContact CG1-CG2 3.95Å; V106-R136 HydrophobicContact CG2-CB 3.83Å; V106-R136 HydrophobicContact CG2-CG 3.99Å
107	S	90.1	Very high	91.7	Very high	84 Å²	84	61.7 Å²	61.7	59%	0.587	27%	0.271	S	S	*	.	H	α-helix	trans	-65.2	-34.7	-174.5	65.8	0	0	0	0	113.2	I105	I105-S107 VanDerWaalsContact C-N 3.29Å; I105-S107 PolarHBondContact O-N 3.2Å
108	R	89.6	Confident	91.6	Very high	160 Å²	160	61.2 Å²	61.2	60%	0.604	27%	0.267	S	S	*	.	H	α-helix	trans	-72.7	-46.6	176.2	-69	172.6	64.9	-175.6	-0.9	110.1	I105 V106 R111 L162	I105-R108 PolarHBondContact O-N 2.59Å; I105-R108 VanDerWaalsContact O-N 3.13Å; V106-R108 VanDerWaalsContact C-N 3.32Å; V106-R108 PolarHBondContact O-N 3.16Å; R108-R111 PolarHBondContact O-N 3.42Å; R108-L162 HydrophobicContact CB-CD1 4.37Å; R108-L162 VanDerWaalsContact CZ-CD2 3.47Å
109	L	89.9	Confident	91.3	Very high	0 Å²	0	66 Å²	66	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-69.1	-38.5	-175.6	-175.7	62.1	0	0	0	112.9	L99 V101 I105 V106 R111 S112 L113 I138 V158 L159 L162	L99-L109 HydrophobicContact CD2-CD2 4.09Å; V101-L109 HydrophobicContact CB-CD2 4.46Å; V101-L109 HydrophobicContact CG1-CD2 3.68Å; I105-L109 WeakPolarHBondContact O-CB 3.47Å; I105-L109 PolarHBondContact O-N 2.97Å; V106-L109 PolarHBondContact O-N 3.05Å; L109-R111 PolarHBondContact O-N 3.05Å; L109-R111 VanDerWaalsContact O-N 3.1Å; L109-S112 PolarHBondContact O-N 3.09Å; L109-L113 HydrophobicContact CD1-CD1 3.76Å; L109-L113 HydrophobicContact CD1-CD2 4.49Å; L109-L113 HydrophobicContact CD1-CG 3.77Å; L109-L113 HydrophobicContact CD2-CD1 3.72Å; L109-L113 HydrophobicContact CG-CD1 3.51Å; L109-L113 HydrophobicContact CG-CG 3.85Å; L109-L113 PolarHBondContact O-N 3.31Å; L109-I138 HydrophobicContact CD2-CD1 3.7Å; L109-I138 HydrophobicContact CG-CD1 4.26Å; L109-V158 HydrophobicContact CD1-CG1 3.97Å; L109-L159 HydrophobicContact CD1-CD2 3.63Å; L109-L159 HydrophobicContact CD1-CG 4.3Å; L109-L159 HydrophobicContact CD2-CD2 3.97Å; L109-L159 HydrophobicContact CG-CD2 4.42Å; L109-L162 HydrophobicContact CB-CD1 4.06Å; L109-L162 HydrophobicContact CD1-CD1 4.12Å
110	M	92.1	Very high	91	Very high	32 Å²	32	68.3 Å²	68.3	16%	0.158	30%	0.298	C	S	.	.	H	α-helix	trans	-62.1	-19.7	180	-78.8	-57.7	-54.7	0	0	114.2	V106 A117 R125 V126 I138	V106-M110 HydrophobicContact CG1-CG 3.99Å; V106-M110 WeakPolarHBondContact O-CB 3.49Å; V106-M110 VanDerWaalsContact O-CG 3.23Å; V106-M110 WeakPolarHBondContact O-CG 3.38Å; V106-M110 PolarHBondContact O-N 3.33Å; M110-A117 HydrophobicContact CE-CB 3.96Å; M110-R125 HydrophobicContact CE-CB 3.93Å; M110-R125 HydrophobicContact CE-CG 4.48Å; M110-V126 HydrophobicContact CE-CG2 4.44Å; M110-V126 HydrophobicContact CG-CG2 4Å; M110-V126 HydrophobicContact SD-CG2 3.72Å; M110-I138 HydrophobicContact SD-CD1 3.94Å; M110-I138 HydrophobicContact SD-CG1 4.14Å; M110-I138 HydrophobicContact SD-CG2 3.76Å
111	R	89.2	Confident	90.5	Very high	217 Å²	217	67.9 Å²	67.9	82%	0.819	30%	0.304	S	S	*	.	H	α-helix	trans	-68.2	-39.5	174	-65.8	-180	-178.1	-172.7	-0.5	111.3	R108 L109	R108-R111 PolarHBondContact O-N 3.42Å; L109-R111 PolarHBondContact O-N 3.05Å; L109-R111 VanDerWaalsContact O-N 3.1Å
112	S	89.4	Confident	90	Very high	51 Å²	51	70.2 Å²	70.2	36%	0.357	33%	0.329	S	S	.	.	H	α-helix	trans	-86.4	-38	-178.7	-52.2	0	0	0	0	111.9	L109 R114	L109-S112 PolarHBondContact O-N 3.09Å; S112-R114 PolarHBondContact O-N 3.1Å
113	L	89.9	Confident	89.9	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	16.9	-179.2	-64	-171.2	0	0	0	114.5	L99 L109 R115 A116 A117 I138 F151 E155 L159	L99-L113 HydrophobicContact CD2-CD1 3.73Å; L109-L113 HydrophobicContact CD1-CD1 3.76Å; L109-L113 HydrophobicContact CD1-CD2 4.49Å; L109-L113 HydrophobicContact CD1-CG 3.77Å; L109-L113 HydrophobicContact CD2-CD1 3.72Å; L109-L113 HydrophobicContact CG-CD1 3.51Å; L109-L113 HydrophobicContact CG-CG 3.85Å; L109-L113 PolarHBondContact O-N 3.31Å; L113-R115 PolarHBondContact O-N 3.32Å; L113-A116 HydrophobicContact CD2-CB 4.37Å; L113-A116 PolarHBondContact O-N 3.44Å; L113-A117 WeakPolarHBondContact O-CB 3.3Å; L113-A117 PolarHBondContact O-N 3.26Å; L113-I138 HydrophobicContact CD1-CD1 4.19Å; L113-F151 HydrophobicContact CD2-CD1 4.11Å; L113-F151 HydrophobicContact CD2-CE1 3.99Å; L113-E155 HydrophobicContact CD2-CB 3.84Å; L113-E155 HydrophobicContact CD2-CG 3.97Å; L113-L159 HydrophobicContact CD1-CD2 4.4Å
114	R	88.8	Confident	89.8	Confident	169 Å²	169	68.7 Å²	68.7	64%	0.638	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-34.5	-178.6	-173.3	177	176.3	-175.4	-1.5	111.8	S112 Q119	S112-R114 PolarHBondContact O-N 3.1Å; R114-Q119 PolarHBondContact O-NE2 3.11Å
115	R	89.2	Confident	89.9	Confident	113 Å²	113	70 Å²	70	43%	0.426	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-47.9	178	176.3	176.7	167.6	-95.8	6.5	111.6	L113 K144 E152 E155	L113-R115 PolarHBondContact O-N 3.32Å; R115-K144 WeakPolarHBondContact O-CD 3.16Å; R115-E152 VanDerWaalsContact CZ-CD 3.4Å; R115-E152 IonicContact CZ-OE1 3.89Å; R115-E152 IonicContact NE-OE1 3.64Å; R115-E152 PolarHBondContact NE-OE1 3.06Å; R115-E152 VanDerWaalsContact NE-OE1 3.12Å; R115-E152 IonicContact NH1-OE1 2.74Å; R115-E152 PolarHBondContact NH1-OE1 3.14Å; R115-E152 IonicContact NH1-OE2 3.4Å; R115-E152 IonicContact NH2-OE1 3.76Å; R115-E152 PolarHBondContact NH2-OE1 2.77Å; R115-E152 VanDerWaalsContact NH2-OE1 3.16Å; R115-E155 IonicContact NH1-OE2 3.73Å
116	A	90.3	Very high	90	Very high	0 Å²	0	71 Å²	71	0%	0	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-29.9	178.7	0	0	0	0	0	114.3	L113 L140 D141 I145 F151 E155	L113-A116 HydrophobicContact CD2-CB 4.37Å; L113-A116 PolarHBondContact O-N 3.44Å; A116-L140 HydrophobicContact CB-CD2 4.4Å; A116-L140 WeakPolarHBondContact O-CA 3.39Å; A116-D141 PolarHBondContact O-N 3.45Å; A116-I145 HydrophobicContact CB-CD1 3.8Å; A116-I145 HydrophobicContact CB-CG1 3.9Å; A116-F151 HydrophobicContact CB-CD1 4.19Å; A116-F151 HydrophobicContact CB-CE1 3.99Å; A116-E155 WeakPolarHBondContact CB-OE1 3.37Å; A116-E155 PolarHBondContact N-OE1 2.88Å
117	A	92.6	Very high	90.1	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-71.9	146.8	-178.6	0	0	0	0	0	112.7	M110 L113 Q119 I138 L139	M110-A117 HydrophobicContact CE-CB 3.96Å; L113-A117 WeakPolarHBondContact O-CB 3.3Å; L113-A117 PolarHBondContact O-N 3.26Å; A117-Q119 WeakPolarHBondContact O-CG 3.46Å; A117-Q119 PolarHBondContact O-N 2.65Å; A117-I138 HydrophobicContact CB-CG2 4.34Å; A117-L139 CarbonylContact C-O 3.59Å; A117-L139 WeakPolarHBondContact CA-O 3.32Å
118	L	91.9	Very high	90.3	Very high	8 Å²	8	74 Å²	74	4%	0.042	34%	0.338	C	S	.	.			trans	-61.4	115.9	176.9	179.7	64.2	0	0	0	111.1	F73 I96 R120 I123 R125 L139	F73-L118 HydrophobicContact CE1-CD2 4.17Å; F73-L118 HydrophobicContact CE2-CD1 4.09Å; F73-L118 HydrophobicContact CZ-CD1 3.77Å; F73-L118 HydrophobicContact CZ-CD2 4.11Å; I96-L118 HydrophobicContact CD1-CD2 4.5Å; L118-R120 HydrophobicContact CD1-CB 4.47Å; L118-R120 HydrophobicContact CG-CB 4.33Å; L118-I123 HydrophobicContact CD2-CD1 4.45Å; L118-I123 HydrophobicContact CD2-CG2 4.12Å; L118-R125 WeakPolarHBondContact O-CG 3.2Å; L118-L139 HydrophobicContact CB-CB 4.08Å; L118-L139 HydrophobicContact CD2-CB 4.36Å; L118-L139 HydrophobicContact CD2-CD1 4.41Å; L118-L139 PolarHBondContact N-O 3.06Å
119	Q	89.4	Confident	90.4	Very high	101 Å²	101	67 Å²	67	47%	0.472	31%	0.313	S	S	.	.			trans	-103.5	79.8	179.9	-64.4	-171.6	46.6	0	0	111.4	R114 A117	R114-Q119 PolarHBondContact O-NE2 3.11Å; A117-Q119 WeakPolarHBondContact O-CG 3.46Å; A117-Q119 PolarHBondContact O-N 2.65Å
120	R	88.2	Confident	90.4	Very high	49 Å²	49	71.7 Å²	71.7	19%	0.185	34%	0.343	C	S	.	.			trans	-129.5	124.5	179.8	-174.7	160.8	167.4	88	10.7	112.5	F73 L118 I123 E184	F73-R120 PolarHBondContact O-NH2 3.02Å; L118-R120 HydrophobicContact CD1-CB 4.47Å; L118-R120 HydrophobicContact CG-CB 4.33Å; R120-I123 HydrophobicContact CB-CB 4.46Å; R120-I123 HydrophobicContact CB-CD1 4.2Å; R120-I123 HydrophobicContact CG-CD1 3.92Å; R120-I123 HydrophobicContact CG-CG1 4.3Å; R120-I123 PolarHBondContact O-N 3.3Å; R120-E184 IonicContact CZ-OE1 2.68Å; R120-E184 VanDerWaalsContact CZ-OE1 3.22Å; R120-E184 IonicContact CZ-OE2 2.79Å; R120-E184 IonicContact NH1-OE1 3.01Å; R120-E184 PolarHBondContact NH1-OE1 3.32Å; R120-E184 IonicContact NH2-OE1 3.16Å; R120-E184 PolarHBondContact NH2-OE1 2.93Å; R120-E184 IonicContact NH2-OE2 3.12Å; R120-E184 PolarHBondContact NH2-OE2 2.82Å
121	P	83.5	Confident	90.3	Very high	79 Å²	79	78.7 Å²	78.7	51%	0.513	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	141.6	172.4	-25.1	35.5	0	0	0	111.5	I123	P121-I123 VanDerWaalsContact C-N 3.25Å; P121-I123 PolarHBondContact O-N 3.31Å
122	G	82.9	Confident	90.4	Very high	53 Å²	53	70.7 Å²	70.7	55%	0.546	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-4.9	-177.9	0	0	0	0	0	115	N179	G122-N179 PolarHBondContact O-ND2 2.9Å
123	I	90.8	Very high	90.4	Very high	20 Å²	20	77 Å²	77	10%	0.103	37%	0.37	C	S	.	.	S	Bend	trans	-120.1	130.5	175.4	-55.3	179.5	0	0	0	109.4	F73 L118 R120 P121 L139 L173 L175 N179	F73-I123 HydrophobicContact CD1-CD1 4.31Å; F73-I123 HydrophobicContact CE1-CD1 4.48Å; L118-I123 HydrophobicContact CD2-CD1 4.45Å; L118-I123 HydrophobicContact CD2-CG2 4.12Å; R120-I123 HydrophobicContact CB-CB 4.46Å; R120-I123 HydrophobicContact CB-CD1 4.2Å; R120-I123 HydrophobicContact CG-CD1 3.92Å; R120-I123 HydrophobicContact CG-CG1 4.3Å; R120-I123 PolarHBondContact O-N 3.3Å; P121-I123 VanDerWaalsContact C-N 3.25Å; P121-I123 PolarHBondContact O-N 3.31Å; I123-L139 HydrophobicContact CG2-CD1 3.79Å; I123-L173 HydrophobicContact CD1-CD2 4.17Å; I123-L173 HydrophobicContact CG2-CD2 4.02Å; I123-L175 HydrophobicContact CD1-CD2 3.62Å; I123-L175 HydrophobicContact CG1-CD2 4.31Å; I123-N179 HydrophobicContact CG1-CB 4.37Å
124	K	91.1	Very high	90.5	Very high	163 Å²	163	81.9 Å²	81.9	71%	0.709	39%	0.393	S	S	*	.			trans	-72.7	132.9	175.6	-66.3	179.5	-178.4	174.2	0	109.4	V126 I127 L139	K124-V126 PolarHBondContact O-N 3.49Å; K124-I127 HydrophobicContact CB-CG2 4.26Å; K124-L139 WeakPolarHBondContact O-CD1 3.46Å
125	R	94.1	Very high	90.7	Very high	134 Å²	134	74.2 Å²	74.2	51%	0.506	37%	0.365	S	S	.	.	S	Bend	trans	-65.8	-25.4	175.2	-72	-173.4	-69.4	-90.5	-0.9	113.8	M110 L118 L139	M110-R125 HydrophobicContact CE-CB 3.93Å; M110-R125 HydrophobicContact CE-CG 4.48Å; L118-R125 WeakPolarHBondContact O-CG 3.2Å; R125-L139 PolarHBondContact O-N 2.83Å
126	V	94.5	Very high	91	Very high	37 Å²	37	71.5 Å²	71.5	22%	0.224	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	130.3	-178.8	-172.9	0	0	0	0	107.6	V106 M110 K124 R136 L137 I138	V106-V126 HydrophobicContact CG1-CB 4.48Å; V106-V126 HydrophobicContact CG1-CG1 3.98Å; V106-V126 HydrophobicContact CG1-CG2 3.95Å; M110-V126 HydrophobicContact CE-CG2 4.44Å; M110-V126 HydrophobicContact CG-CG2 4Å; M110-V126 HydrophobicContact SD-CG2 3.72Å; K124-V126 PolarHBondContact O-N 3.49Å; V126-R136 HydrophobicContact CG1-CB 3.73Å; V126-R136 HydrophobicContact CG1-CG 4.28Å; V126-L137 WeakPolarHBondContact CA-O 3.21Å; V126-I138 HydrophobicContact CG2-CG1 4.21Å
127	I	94.3	Very high	91.2	Very high	29 Å²	29	72 Å²	72	15%	0.149	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	163.8	177.1	63.8	171.4	0	0	0	110.2	K124 R136 L137 L139 Y171	K124-I127 HydrophobicContact CB-CG2 4.26Å; I127-R136 WeakPolarHBondContact O-CA 3.48Å; I127-R136 WeakPolarHBondContact O-CD 3.45Å; I127-L137 HydrophobicContact CD1-CB 4.33Å; I127-L137 HydrophobicContact CD1-CD1 4.2Å; I127-L137 HydrophobicContact CG1-CB 3.77Å; I127-L137 HydrophobicContact CG1-CD1 4.37Å; I127-L137 HydrophobicContact CG1-CG 4.46Å; I127-L137 PolarHBondContact N-O 3.41Å; I127-L137 PolarHBondContact O-N 3.15Å; I127-L139 HydrophobicContact CD1-CD2 3.82Å; I127-L139 HydrophobicContact CG1-CD2 3.98Å; I127-L139 HydrophobicContact CG2-CD1 4.34Å; I127-Y171 HydrophobicContact CD1-CD1 3.8Å; I127-Y171 HydrophobicContact CD1-CD2 4.48Å; I127-Y171 HydrophobicContact CD1-CE1 3.25Å; I127-Y171 HydrophobicContact CD1-CE2 4.02Å; I127-Y171 HydrophobicContact CD1-CG 4.38Å
128	E	93.9	Very high	91.4	Very high	139 Å²	139	72 Å²	72	65%	0.65	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	140.2	171.7	-62.3	-176.2	167.3	0	0	109.5	P130 R136	E128-P130 WeakPolarHBondContact O-CD 3.5Å; E128-R136 IonicContact OE1-NH2 2.72Å
129	D	92.4	Very high	91.5	Very high	13 Å²	13	71.6 Å²	71.6	7%	0.07	36%	0.355	C	S	.	.			trans	-78	119	172.4	-178.8	-7.8	0	0	0	108.2	K100 E131 D132 L137	K100-D129 WeakPolarHBondContact CD-OD2 3.39Å; K100-D129 WeakPolarHBondContact CE-OD2 3.3Å; K100-D129 IonicContact NZ-OD2 3.39Å; K100-D129 PolarHBondContact NZ-OD2 3.21Å; D129-E131 PolarHBondContact O-N 3.07Å; D129-E131 PolarHBondContact OD1-N 2.92Å; D129-D132 WeakPolarHBondContact CB-O 3.43Å; D129-D132 PolarHBondContact O-N 2.85Å; D129-L137 HydrophobicContact CB-CD1 4.49Å; D129-L137 HydrophobicContact CB-CD2 4.09Å; D129-L137 HydrophobicContact CB-CG 3.95Å
130	P	89.1	Confident	91.7	Very high	98 Å²	98	66.8 Å²	66.8	64%	0.636	33%	0.333	S	S	*	.	S	Bend	trans	-61	-25.7	180	-22.3	33.9	0	0	0	113.6	E128 Y171	E128-P130 WeakPolarHBondContact O-CD 3.5Å; P130-Y171 HydrophobicContact CG-CE2 4.07Å
131	E	90.4	Very high	91.9	Very high	180 Å²	180	65.2 Å²	65.2	84%	0.841	33%	0.328	S	S	*	.	S	Bend	trans	-94	-20	-175.4	-61.2	-179.6	-178.7	0	0	112.5	D129	D129-E131 PolarHBondContact O-N 3.07Å; D129-E131 PolarHBondContact OD1-N 2.92Å
132	D	91.3	Very high	92.1	Very high	49 Å²	49	62.2 Å²	62.2	26%	0.262	31%	0.309	S	S	.	.			trans	-147.3	110.6	-172.3	177.9	5.5	0	0	0	112.9	K100 D129 E134 S135	K100-D132 IonicContact NZ-OD2 2.8Å; K100-D132 PolarHBondContact NZ-OD2 2.75Å; D129-D132 WeakPolarHBondContact CB-O 3.43Å; D129-D132 PolarHBondContact O-N 2.85Å; D132-E134 VanDerWaalsContact C-N 3.26Å; D132-E134 PolarHBondContact O-N 2.87Å; D132-E134 PolarHBondContact OD1-N 3.36Å; D132-S135 PolarHBondContact O-N 3.18Å; D132-S135 VanDerWaalsContact O-N 3.13Å; D132-S135 PolarHBondContact OD1-N 3.1Å; D132-S135 WeakPolarHBondContact OD2-CB 3.26Å; D132-S135 PolarHBondContact OD2-OG 3.46Å
133	K	90.7	Very high	92.3	Very high	184 Å²	184	63.2 Å²	63.2	80%	0.8	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-25	-178.3	-66.1	-176.1	179.5	178.6	0	114.1	S135 R136	K133-S135 VanDerWaalsContact C-N 3.31Å; K133-R136 PolarHBondContact O-NH1 3.01Å
134	E	91.2	Very high	92.1	Very high	101 Å²	101	66.6 Å²	66.6	47%	0.472	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-12.8	179.6	-62.1	-59.8	103.6	0	0	111.9	K103 D132	K103-E134 WeakPolarHBondContact CB-O 3.29Å; K103-E134 WeakPolarHBondContact CE-OE2 3.33Å; K103-E134 WeakPolarHBondContact CG-O 3.45Å; K103-E134 PolarHBondContact N-O 2.84Å; K103-E134 IonicContact NZ-OE1 2.74Å; K103-E134 PolarHBondContact NZ-OE1 2.88Å; K103-E134 IonicContact NZ-OE2 2.66Å; K103-E134 PolarHBondContact NZ-OE2 3.5Å; D132-E134 VanDerWaalsContact C-N 3.26Å; D132-E134 PolarHBondContact O-N 2.87Å; D132-E134 PolarHBondContact OD1-N 3.36Å
135	S	93.4	Very high	91.8	Very high	8 Å²	8	58.9 Å²	58.9	6%	0.056	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	161.7	177.7	-68.1	0	0	0	0	113	K100 V101 D132 K133	K100-S135 VanDerWaalsContact CE-OG 3.27Å; K100-S135 WeakPolarHBondContact CE-OG 3.17Å; V101-S135 CarbonylContact O-C 3.6Å; V101-S135 VanDerWaalsContact O-CA 3.31Å; V101-S135 WeakPolarHBondContact O-CA 3.45Å; D132-S135 PolarHBondContact O-N 3.18Å; D132-S135 VanDerWaalsContact O-N 3.13Å; D132-S135 PolarHBondContact OD1-N 3.1Å; D132-S135 WeakPolarHBondContact OD2-CB 3.26Å; D132-S135 PolarHBondContact OD2-OG 3.46Å; K133-S135 VanDerWaalsContact C-N 3.31Å
136	R	95.3	Very high	91	Very high	57 Å²	57	59.4 Å²	59.4	22%	0.215	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	149.7	173.5	-66.1	-62.9	-179.2	-87.4	8.5	108.6	V101 K103 V106 V126 I127 E128 K133	V101-R136 HydrophobicContact CG2-CB 4.42Å; V101-R136 PolarHBondContact N-O 2.95Å; V101-R136 PolarHBondContact O-N 3.11Å; K103-R136 HydrophobicContact CB-CG 4.1Å; V106-R136 HydrophobicContact CG2-CB 3.83Å; V106-R136 HydrophobicContact CG2-CG 3.99Å; V126-R136 HydrophobicContact CG1-CB 3.73Å; V126-R136 HydrophobicContact CG1-CG 4.28Å; I127-R136 WeakPolarHBondContact O-CA 3.48Å; I127-R136 WeakPolarHBondContact O-CD 3.45Å; E128-R136 IonicContact OE1-NH2 2.72Å; K133-R136 PolarHBondContact O-NH1 3.01Å
137	L	95.1	Very high	90.3	Very high	9 Å²	9	61 Å²	61	5%	0.047	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.9	173.9	-52.8	177.5	0	0	0	108.5	V98 K100 V126 I127 D129 Y171	V98-L137 HydrophobicContact CB-CB 4.27Å; V98-L137 HydrophobicContact CG2-CB 4.44Å; V98-L137 HydrophobicContact CG2-CD1 4.47Å; V98-L137 HydrophobicContact CG2-CD2 4.25Å; K100-L137 HydrophobicContact CB-CD2 3.93Å; K100-L137 HydrophobicContact CG-CD2 4.23Å; V126-L137 WeakPolarHBondContact CA-O 3.21Å; I127-L137 HydrophobicContact CD1-CB 4.33Å; I127-L137 HydrophobicContact CD1-CD1 4.2Å; I127-L137 HydrophobicContact CG1-CB 3.77Å; I127-L137 HydrophobicContact CG1-CD1 4.37Å; I127-L137 HydrophobicContact CG1-CG 4.46Å; I127-L137 PolarHBondContact N-O 3.41Å; I127-L137 PolarHBondContact O-N 3.15Å; D129-L137 HydrophobicContact CB-CD1 4.49Å; D129-L137 HydrophobicContact CB-CD2 4.09Å; D129-L137 HydrophobicContact CB-CG 3.95Å; L137-Y171 HydrophobicContact CD1-CD2 3.6Å; L137-Y171 HydrophobicContact CD1-CE2 3.91Å; L137-Y171 HydrophobicContact CD1-CG 4.2Å
138	I	95.4	Very high	89.5	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	119.2	168.3	-60.4	177.4	0	0	0	107	V98 L99 V101 L109 M110 L113 A117 V126 L140	V98-I138 CarbonylContact C-O 3.5Å; V98-I138 VanDerWaalsContact CA-O 3.23Å; V98-I138 WeakPolarHBondContact CA-O 3.34Å; V98-I138 WeakPolarHBondContact CB-O 3.4Å; L99-I138 HydrophobicContact CB-CB 4.37Å; L99-I138 PolarHBondContact N-O 3.06Å; L99-I138 PolarHBondContact O-N 2.92Å; V101-I138 HydrophobicContact CG1-CD1 4.08Å; V101-I138 HydrophobicContact CG2-CD1 3.81Å; V101-I138 HydrophobicContact CG2-CG1 3.92Å; L109-I138 HydrophobicContact CD2-CD1 3.7Å; L109-I138 HydrophobicContact CG-CD1 4.26Å; M110-I138 HydrophobicContact SD-CD1 3.94Å; M110-I138 HydrophobicContact SD-CG1 4.14Å; M110-I138 HydrophobicContact SD-CG2 3.76Å; L113-I138 HydrophobicContact CD1-CD1 4.19Å; A117-I138 HydrophobicContact CB-CG2 4.34Å; V126-I138 HydrophobicContact CG2-CG1 4.21Å; I138-L140 HydrophobicContact CG2-CD2 4.21Å; I138-L140 PolarHBondContact O-N 3.26Å
139	L	94.8	Very high	88.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	121.5	176.2	-54.6	-168.6	0	0	0	109	I96 V98 A117 L118 I123 K124 R125 I127 Y171 L173	I96-L139 HydrophobicContact CD1-CB 4.03Å; I96-L139 HydrophobicContact CD1-CD1 3.78Å; I96-L139 HydrophobicContact CD1-CD2 3.64Å; I96-L139 HydrophobicContact CD1-CG 4.01Å; V98-L139 HydrophobicContact CG1-CD2 3.52Å; A117-L139 CarbonylContact C-O 3.59Å; A117-L139 WeakPolarHBondContact CA-O 3.32Å; L118-L139 HydrophobicContact CB-CB 4.08Å; L118-L139 HydrophobicContact CD2-CB 4.36Å; L118-L139 HydrophobicContact CD2-CD1 4.41Å; L118-L139 PolarHBondContact N-O 3.06Å; I123-L139 HydrophobicContact CG2-CD1 3.79Å; K124-L139 WeakPolarHBondContact O-CD1 3.46Å; R125-L139 PolarHBondContact O-N 2.83Å; I127-L139 HydrophobicContact CD1-CD2 3.82Å; I127-L139 HydrophobicContact CG1-CD2 3.98Å; I127-L139 HydrophobicContact CG2-CD1 4.34Å; L139-Y171 HydrophobicContact CD2-CD1 4.49Å; L139-L173 HydrophobicContact CD1-CD1 4.4Å; L139-L173 HydrophobicContact CD1-CD2 4.33Å
140	L	94.1	Very high	88.4	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-96.2	151.6	179.8	-55.4	171.8	0	0	0	109.9	P97 L99 A116 I138 P142 I145 F151 I168	P97-L140 HydrophobicContact CB-CB 4.2Å; P97-L140 HydrophobicContact CB-CD1 4.44Å; P97-L140 HydrophobicContact CG-CB 4.04Å; P97-L140 WeakPolarHBondContact O-CB 3.49Å; P97-L140 PolarHBondContact O-N 2.85Å; L99-L140 HydrophobicContact CB-CD1 4.12Å; L99-L140 HydrophobicContact CB-CD2 4.41Å; L99-L140 HydrophobicContact CB-CG 4.45Å; A116-L140 HydrophobicContact CB-CD2 4.4Å; A116-L140 WeakPolarHBondContact O-CA 3.39Å; I138-L140 HydrophobicContact CG2-CD2 4.21Å; I138-L140 PolarHBondContact O-N 3.26Å; L140-P142 WeakPolarHBondContact O-CD 3.46Å; L140-I145 HydrophobicContact CB-CB 4.12Å; L140-I145 HydrophobicContact CB-CG1 4.31Å; L140-I145 HydrophobicContact CB-CG2 4.32Å; L140-I145 HydrophobicContact CD1-CB 4.46Å; L140-I145 HydrophobicContact CD1-CG2 3.76Å; L140-F151 HydrophobicContact CD1-CZ 3.96Å; L140-F151 HydrophobicContact CD2-CE1 4.35Å; L140-F151 HydrophobicContact CD2-CZ 4.39Å; L140-I168 HydrophobicContact CD1-CG1 4.03Å; L140-I168 HydrophobicContact CD1-CG2 4.38Å
141	D	91.2	Very high	88.3	Confident	17 Å²	17	60 Å²	60	9%	0.091	29%	0.286	C	S	.	.			trans	-72	113.6	177.2	-173.3	-26.3	0	0	0	109.4	A116 Y143 K144 I145	A116-D141 PolarHBondContact O-N 3.45Å; D141-Y143 PolarHBondContact O-N 3.32Å; D141-Y143 VanDerWaalsContact O-N 3.14Å; D141-Y143 PolarHBondContact OD1-N 2.94Å; D141-K144 HydrophobicContact CB-CB 4.09Å; D141-K144 HydrophobicContact CB-CD 4.14Å; D141-K144 HydrophobicContact CB-CG 4.15Å; D141-K144 PolarHBondContact O-N 3.12Å; D141-K144 WeakPolarHBondContact OD2-CE 3.23Å; D141-K144 IonicContact OD2-NZ 3.96Å; D141-K144 PolarHBondContact OD2-NZ 3.47Å; D141-I145 PolarHBondContact O-N 2.94Å
142	P	89.3	Confident	88.3	Confident	16 Å²	16	55.7 Å²	55.7	10%	0.104	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.9	-174.8	26.5	-33.8	0	0	0	113.6	L72 F73 P97 L140 F146	L72-P142 HydrophobicContact CD2-CB 4.13Å; L72-P142 HydrophobicContact CD2-CG 3.65Å; F73-P142 HydrophobicContact CE2-CG 3.87Å; F73-P142 HydrophobicContact CZ-CG 3.89Å; P97-P142 HydrophobicContact CG-CB 4.19Å; L140-P142 WeakPolarHBondContact O-CD 3.46Å; P142-F146 WeakPolarHBondContact O-CE1 3.23Å; P142-F146 WeakPolarHBondContact O-CZ 3.26Å
143	Y	86.1	Confident	88.1	Confident	73 Å²	73	62.3 Å²	62.3	29%	0.286	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-12.1	177.6	-55.2	-67.8	0	0	0	112.9	R68 D69 L72 F73 D141 F146	R68-Y143 VanDerWaalsContact O-CE1 3.25Å; R68-Y143 WeakPolarHBondContact O-CE1 3.27Å; R68-Y143 PolarHBondContact O-OH 3.05Å; D69-Y143 HydrophobicContact CB-CE2 4.37Å; D69-Y143 PolarHBondContact O-OH 3.34Å; D69-Y143 WeakPolarHBondContact OD1-CD2 3.4Å; L72-Y143 VanDerWaalsContact CB-OH 3.29Å; L72-Y143 WeakPolarHBondContact CB-OH 3.48Å; F73-Y143 HydrophobicContact CD2-CE2 4.44Å; F73-Y143 HydrophobicContact CE2-CE2 4.14Å; D141-Y143 PolarHBondContact O-N 3.32Å; D141-Y143 VanDerWaalsContact O-N 3.14Å; D141-Y143 PolarHBondContact OD1-N 2.94Å; Y143-F146 VanDerWaalsContact O-CE2 3.27Å; Y143-F146 WeakPolarHBondContact O-CE2 3.26Å; Y143-F146 WeakPolarHBondContact O-CZ 3.27Å
144	K	86.2	Confident	88	Confident	91 Å²	91	56.8 Å²	56.8	40%	0.396	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-33.6	178.2	-62	-177.2	-177.4	120.7	0	112.6	R115 D141 S150	R115-K144 WeakPolarHBondContact O-CD 3.16Å; D141-K144 HydrophobicContact CB-CB 4.09Å; D141-K144 HydrophobicContact CB-CD 4.14Å; D141-K144 HydrophobicContact CB-CG 4.15Å; D141-K144 PolarHBondContact O-N 3.12Å; D141-K144 WeakPolarHBondContact OD2-CE 3.23Å; D141-K144 IonicContact OD2-NZ 3.96Å; D141-K144 PolarHBondContact OD2-NZ 3.47Å; K144-S150 WeakPolarHBondContact O-CB 3.35Å
145	I	85.8	Confident	88	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	26%	0.259	C	S	.	.			trans	-121.8	99.1	-171	-53.5	-63.3	0	0	0	110.1	P97 A116 L140 D141 F151 I168	P97-I145 WeakPolarHBondContact CG-O 3.46Å; A116-I145 HydrophobicContact CB-CD1 3.8Å; A116-I145 HydrophobicContact CB-CG1 3.9Å; L140-I145 HydrophobicContact CB-CB 4.12Å; L140-I145 HydrophobicContact CB-CG1 4.31Å; L140-I145 HydrophobicContact CB-CG2 4.32Å; L140-I145 HydrophobicContact CD1-CB 4.46Å; L140-I145 HydrophobicContact CD1-CG2 3.76Å; D141-I145 PolarHBondContact O-N 2.94Å; I145-F151 HydrophobicContact CD1-CD1 4.19Å; I145-F151 HydrophobicContact CD1-CE1 4.31Å; I145-F151 HydrophobicContact CG2-CE2 4.38Å; I145-F151 HydrophobicContact CG2-CZ 4.24Å; I145-I168 HydrophobicContact CG2-CD1 3.41Å; I145-I168 VanDerWaalsContact CG2-CD1 3.41Å; I145-I168 HydrophobicContact CG2-CG1 4.23Å
146	F	77.6	Confident	87.8	Confident	144 Å²	144	54.8 Å²	54.8	63%	0.632	27%	0.272	S	S	*	.	S	Bend	trans	-102.2	-35.9	178.1	-56.8	-85.4	0	0	0	111.8	P142 Y143 S150	P142-F146 WeakPolarHBondContact O-CE1 3.23Å; P142-F146 WeakPolarHBondContact O-CZ 3.26Å; Y143-F146 VanDerWaalsContact O-CE2 3.27Å; Y143-F146 WeakPolarHBondContact O-CE2 3.26Å; Y143-F146 WeakPolarHBondContact O-CZ 3.27Å; F146-S150 PolarHBondContact N-OG 2.97Å
147	T	79.6	Confident	87.6	Confident	72 Å²	72	54.4 Å²	54.4	44%	0.442	28%	0.278	S	S	.	.	S	Bend	trans	-143.4	169.5	-176.8	63.8	0	0	0	0	110.7	D149 S150 I168	T147-D149 PolarHBondContact O-N 2.89Å; T147-S150 PolarHBondContact N-OG 2.86Å; T147-S150 VanDerWaalsContact N-OG 3.13Å; T147-S150 WeakPolarHBondContact O-CB 3.27Å; T147-S150 PolarHBondContact O-N 3.3Å; T147-S150 PolarHBondContact O-OG 3.44Å; T147-I168 VanDerWaalsContact O-CD1 3.3Å; T147-I168 WeakPolarHBondContact O-CD1 3.46Å
148	H	75.9	Confident	87.3	Confident	98 Å²	98	55.3 Å²	55.3	45%	0.454	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-58.1	-29	178.6	73.3	-63.3	0	0	0	113.5	S150 F151 P166	H148-S150 PolarHBondContact O-N 2.73Å; H148-F151 WeakPolarHBondContact O-CD2 3.35Å; H148-P166 HydrophobicContact CB-CB 4.44Å
149	D	79.4	Confident	87.1	Confident	120 Å²	120	55.4 Å²	55.4	64%	0.642	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-71.4	-8.7	175.5	-57.7	-55.2	0	0	0	113.6	T147 F151	T147-D149 PolarHBondContact O-N 2.89Å; D149-F151 VanDerWaalsContact C-N 3.3Å
150	S	85.2	Confident	87	Confident	31 Å²	31	62.6 Å²	62.6	22%	0.217	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-77.2	-16	-179.9	-53.4	0	0	0	0	113.2	K144 F146 T147 H148	K144-S150 WeakPolarHBondContact O-CB 3.35Å; F146-S150 PolarHBondContact N-OG 2.97Å; T147-S150 PolarHBondContact N-OG 2.86Å; T147-S150 VanDerWaalsContact N-OG 3.13Å; T147-S150 WeakPolarHBondContact O-CB 3.27Å; T147-S150 PolarHBondContact O-N 3.3Å; T147-S150 PolarHBondContact O-OG 3.44Å; H148-S150 PolarHBondContact O-N 2.73Å
151	F	87	Confident	86.8	Confident	9 Å²	9	69.2 Å²	69.2	4%	0.039	35%	0.349	C	S	.	.	S	Bend	trans	-72.3	142	175.6	-70.5	-74.8	0	0	0	111.1	L113 A116 L140 I145 H148 D149 E155 L156 L159 P166 I168	L113-F151 HydrophobicContact CD2-CD1 4.11Å; L113-F151 HydrophobicContact CD2-CE1 3.99Å; A116-F151 HydrophobicContact CB-CD1 4.19Å; A116-F151 HydrophobicContact CB-CE1 3.99Å; L140-F151 HydrophobicContact CD1-CZ 3.96Å; L140-F151 HydrophobicContact CD2-CE1 4.35Å; L140-F151 HydrophobicContact CD2-CZ 4.39Å; I145-F151 HydrophobicContact CD1-CD1 4.19Å; I145-F151 HydrophobicContact CD1-CE1 4.31Å; I145-F151 HydrophobicContact CG2-CE2 4.38Å; I145-F151 HydrophobicContact CG2-CZ 4.24Å; H148-F151 WeakPolarHBondContact O-CD2 3.35Å; D149-F151 VanDerWaalsContact C-N 3.3Å; F151-E155 HydrophobicContact CB-CB 4.24Å; F151-E155 HydrophobicContact CD1-CB 4.22Å; F151-L156 HydrophobicContact CB-CD2 3.73Å; F151-L156 HydrophobicContact CB-CG 3.76Å; F151-L156 HydrophobicContact CD2-CD2 4.34Å; F151-L156 HydrophobicContact CG-CD2 4.35Å; F151-L159 HydrophobicContact CD1-CD1 4.33Å; F151-L159 HydrophobicContact CD2-CD1 4.4Å; F151-L159 HydrophobicContact CE1-CD1 4.42Å; F151-L159 HydrophobicContact CE2-CD1 4.5Å; F151-L159 HydrophobicContact CG-CD1 4.32Å; F151-P166 HydrophobicContact CD2-CB 4.34Å; F151-P166 HydrophobicContact CE2-CB 4.35Å; F151-I168 HydrophobicContact CE2-CD1 4.06Å; F151-I168 HydrophobicContact CE2-CG1 4.11Å
152	E	89.1	Confident	86.8	Confident	89 Å²	89	69.1 Å²	69.1	42%	0.416	35%	0.349	S	S	.	.			trans	-67.7	155	171.5	-88.7	173.5	-172.5	0	0	111.6	R115 A154 E155 L156	R115-E152 VanDerWaalsContact CZ-CD 3.4Å; R115-E152 IonicContact CZ-OE1 3.89Å; R115-E152 IonicContact NE-OE1 3.64Å; R115-E152 PolarHBondContact NE-OE1 3.06Å; R115-E152 VanDerWaalsContact NE-OE1 3.12Å; R115-E152 IonicContact NH1-OE1 2.74Å; R115-E152 PolarHBondContact NH1-OE1 3.14Å; R115-E152 IonicContact NH1-OE2 3.4Å; R115-E152 IonicContact NH2-OE1 3.76Å; R115-E152 PolarHBondContact NH2-OE1 2.77Å; R115-E152 VanDerWaalsContact NH2-OE1 3.16Å; E152-A154 PolarHBondContact O-N 3.38Å; E152-A154 VanDerWaalsContact O-N 3.13Å; E152-E155 HydrophobicContact CB-CG 4.19Å; E152-E155 PolarHBondContact N-OE2 3.1Å; E152-E155 WeakPolarHBondContact O-CA 3.41Å; E152-E155 WeakPolarHBondContact O-CB 3.43Å; E152-E155 PolarHBondContact O-N 3.39Å; E152-L156 PolarHBondContact O-N 2.9Å
153	K	87.9	Confident	86.8	Confident	188 Å²	188	75 Å²	75	82%	0.817	38%	0.379	S	S	*	.	H	α-helix	trans	-53	-38.1	176.9	-67.4	-176.5	179.2	-179.2	0	112.9	S157	K153-S157 WeakPolarHBondContact O-CB 3.25Å; K153-S157 PolarHBondContact O-N 3.48Å
154	A	88.9	Confident	86.9	Confident	68 Å²	68	72.2 Å²	72.2	56%	0.562	37%	0.37	S	S	*	.	H	α-helix	trans	-67.5	-37.2	176.4	0	0	0	0	0	112.4	E152 V158	E152-A154 PolarHBondContact O-N 3.38Å; E152-A154 VanDerWaalsContact O-N 3.13Å; A154-V158 WeakPolarHBondContact O-CG2 3.5Å; A154-V158 PolarHBondContact O-N 2.93Å
155	E	90.2	Very high	86.9	Confident	5 Å²	5	71.6 Å²	71.6	2%	0.023	38%	0.377	C	S	.	.	H	α-helix	trans	-69.1	-44.9	176.3	-64.7	173.9	143.3	0	0	110.5	L113 R115 A116 F151 E152 S157 V158 L159	L113-E155 HydrophobicContact CD2-CB 3.84Å; L113-E155 HydrophobicContact CD2-CG 3.97Å; R115-E155 IonicContact NH1-OE2 3.73Å; A116-E155 WeakPolarHBondContact CB-OE1 3.37Å; A116-E155 PolarHBondContact N-OE1 2.88Å; F151-E155 HydrophobicContact CB-CB 4.24Å; F151-E155 HydrophobicContact CD1-CB 4.22Å; E152-E155 HydrophobicContact CB-CG 4.19Å; E152-E155 PolarHBondContact N-OE2 3.1Å; E152-E155 WeakPolarHBondContact O-CA 3.41Å; E152-E155 WeakPolarHBondContact O-CB 3.43Å; E152-E155 PolarHBondContact O-N 3.39Å; E155-S157 PolarHBondContact O-N 2.98Å; E155-V158 PolarHBondContact O-N 2.89Å; E155-L159 WeakPolarHBondContact O-CG 3.49Å; E155-L159 PolarHBondContact O-N 2.85Å
156	L	89.6	Confident	86.9	Confident	61 Å²	61	73.4 Å²	73.4	32%	0.319	39%	0.388	S	S	.	.	H	α-helix	trans	-59.8	-44.4	175.8	-70.1	173.2	0	0	0	112.3	F151 E152 V158 L159 E160 P166	F151-L156 HydrophobicContact CB-CD2 3.73Å; F151-L156 HydrophobicContact CB-CG 3.76Å; F151-L156 HydrophobicContact CD2-CD2 4.34Å; F151-L156 HydrophobicContact CG-CD2 4.35Å; E152-L156 PolarHBondContact O-N 2.9Å; L156-V158 VanDerWaalsContact C-N 3.29Å; L156-V158 PolarHBondContact O-N 2.8Å; L156-L159 HydrophobicContact CD2-CD1 4.47Å; L156-L159 WeakPolarHBondContact O-CB 3.21Å; L156-L159 PolarHBondContact O-N 2.85Å; L156-E160 PolarHBondContact O-N 3.49Å; L156-P166 HydrophobicContact CD2-CB 4.16Å
157	S	90.3	Very high	87.3	Confident	50 Å²	50	73.6 Å²	73.6	35%	0.35	39%	0.392	S	S	.	.	H	α-helix	trans	-61.1	-38	177.4	-175.2	0	0	0	0	112.2	K153 E155 Q161	K153-S157 WeakPolarHBondContact O-CB 3.25Å; K153-S157 PolarHBondContact O-N 3.48Å; E155-S157 PolarHBondContact O-N 2.98Å; S157-Q161 WeakPolarHBondContact O-CB 3.47Å; S157-Q161 WeakPolarHBondContact O-CG 3.46Å; S157-Q161 PolarHBondContact O-N 2.78Å; S157-Q161 PolarHBondContact OG-NE2 2.99Å
158	V	90.7	Very high	87.8	Confident	27 Å²	27	72 Å²	72	16%	0.164	38%	0.38	C	S	.	.	H	α-helix	trans	-71.4	-38.2	176.5	173.1	0	0	0	0	111.5	L109 A154 E155 L156 E160 Q161 L162	L109-V158 HydrophobicContact CD1-CG1 3.97Å; A154-V158 WeakPolarHBondContact O-CG2 3.5Å; A154-V158 PolarHBondContact O-N 2.93Å; E155-V158 PolarHBondContact O-N 2.89Å; L156-V158 VanDerWaalsContact C-N 3.29Å; L156-V158 PolarHBondContact O-N 2.8Å; V158-E160 VanDerWaalsContact C-N 3.34Å; V158-Q161 PolarHBondContact O-N 2.86Å; V158-L162 HydrophobicContact CG1-CD1 3.89Å; V158-L162 HydrophobicContact CG1-CG 4.46Å; V158-L162 WeakPolarHBondContact O-CB 3.34Å; V158-L162 WeakPolarHBondContact O-CG 3.35Å; V158-L162 PolarHBondContact O-N 3.47Å; V158-L162 VanDerWaalsContact O-N 3.11Å
159	L	90.8	Very high	88.5	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.01	38%	0.375	C	S	.	.	H	α-helix	trans	-60.5	-45.4	174.8	-71.5	169.4	0	0	0	110.9	L99 L109 L113 F151 E155 L156 L162 N163 V164 P166	L99-L159 HydrophobicContact CD2-CD2 3.67Å; L109-L159 HydrophobicContact CD1-CD2 3.63Å; L109-L159 HydrophobicContact CD1-CG 4.3Å; L109-L159 HydrophobicContact CD2-CD2 3.97Å; L109-L159 HydrophobicContact CG-CD2 4.42Å; L113-L159 HydrophobicContact CD1-CD2 4.4Å; F151-L159 HydrophobicContact CD1-CD1 4.33Å; F151-L159 HydrophobicContact CD2-CD1 4.4Å; F151-L159 HydrophobicContact CE1-CD1 4.42Å; F151-L159 HydrophobicContact CE2-CD1 4.5Å; F151-L159 HydrophobicContact CG-CD1 4.32Å; E155-L159 WeakPolarHBondContact O-CG 3.49Å; E155-L159 PolarHBondContact O-N 2.85Å; L156-L159 HydrophobicContact CD2-CD1 4.47Å; L156-L159 WeakPolarHBondContact O-CB 3.21Å; L156-L159 PolarHBondContact O-N 2.85Å; L159-L162 CarbonylContact O-C 3.55Å; L159-L162 PolarHBondContact O-N 2.76Å; L159-N163 PolarHBondContact O-N 2.87Å; L159-V164 HydrophobicContact CB-CB 4.41Å; L159-V164 HydrophobicContact CD2-CB 3.82Å; L159-V164 HydrophobicContact CD2-CG1 3.67Å; L159-V164 PolarHBondContact O-N 3.28Å; L159-P166 HydrophobicContact CD1-CB 4.06Å
160	E	91.6	Very high	89.1	Confident	151 Å²	151	72 Å²	72	71%	0.706	38%	0.38	S	S	*	.	H	α-helix	trans	-61.8	-48.5	175.9	-172.4	176	-159.8	0	0	111.9	L156 V158 L162 N163	L156-E160 PolarHBondContact O-N 3.49Å; V158-E160 VanDerWaalsContact C-N 3.34Å; E160-L162 PolarHBondContact O-N 3.04Å; E160-L162 VanDerWaalsContact O-N 3.13Å; E160-N163 PolarHBondContact O-N 3.11Å; E160-N163 PolarHBondContact O-OD1 3.35Å
161	Q	91.2	Very high	89.5	Confident	140 Å²	140	73.6 Å²	73.6	65%	0.654	38%	0.381	S	S	*	.	H	α-helix	trans	-59	-26.4	177.1	-75.3	171.4	16.1	0	0	114.1	S157 V158	S157-Q161 WeakPolarHBondContact O-CB 3.47Å; S157-Q161 WeakPolarHBondContact O-CG 3.46Å; S157-Q161 PolarHBondContact O-N 2.78Å; S157-Q161 PolarHBondContact OG-NE2 2.99Å; V158-Q161 PolarHBondContact O-N 2.86Å
162	L	90	Very high	89.8	Confident	15 Å²	15	78 Å²	78	8%	0.079	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	6.9	179.8	-64	178.3	0	0	0	112.9	R108 L109 V158 L159 E160 V164	R108-L162 HydrophobicContact CB-CD1 4.37Å; R108-L162 VanDerWaalsContact CZ-CD2 3.47Å; L109-L162 HydrophobicContact CB-CD1 4.06Å; L109-L162 HydrophobicContact CD1-CD1 4.12Å; V158-L162 HydrophobicContact CG1-CD1 3.89Å; V158-L162 HydrophobicContact CG1-CG 4.46Å; V158-L162 WeakPolarHBondContact O-CB 3.34Å; V158-L162 WeakPolarHBondContact O-CG 3.35Å; V158-L162 PolarHBondContact O-N 3.47Å; V158-L162 VanDerWaalsContact O-N 3.11Å; L159-L162 CarbonylContact O-C 3.55Å; L159-L162 PolarHBondContact O-N 2.76Å; E160-L162 PolarHBondContact O-N 3.04Å; E160-L162 VanDerWaalsContact O-N 3.13Å; L162-V164 VanDerWaalsContact C-N 3.29Å; L162-V164 HydrophobicContact CB-CG2 4.04Å; L162-V164 PolarHBondContact O-N 3.04Å
163	N	89.6	Confident	90.1	Very high	139 Å²	139	74.6 Å²	74.6	74%	0.743	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	45	-175.5	-61.7	4.2	0	0	0	112.3	L159 E160	L159-N163 PolarHBondContact O-N 2.87Å; E160-N163 PolarHBondContact O-N 3.11Å; E160-N163 PolarHBondContact O-OD1 3.35Å
164	V	89.1	Confident	90.4	Very high	15 Å²	15	70 Å²	70	9%	0.091	37%	0.371	C	S	.	.			trans	-106	121.7	176.4	-177.4	0	0	0	0	109.1	L99 V101 I105 L159 L162	L99-V164 HydrophobicContact CD1-CG1 4.35Å; L99-V164 HydrophobicContact CD2-CG1 4.22Å; L99-V164 HydrophobicContact CG-CG1 4.43Å; V101-V164 HydrophobicContact CG1-CG1 3.86Å; I105-V164 HydrophobicContact CD1-CG2 3.22Å; L159-V164 HydrophobicContact CB-CB 4.41Å; L159-V164 HydrophobicContact CD2-CB 3.82Å; L159-V164 HydrophobicContact CD2-CG1 3.67Å; L159-V164 PolarHBondContact O-N 3.28Å; L162-V164 VanDerWaalsContact C-N 3.29Å; L162-V164 HydrophobicContact CB-CG2 4.04Å; L162-V164 PolarHBondContact O-N 3.04Å
165	S	85.4	Confident	90.6	Very high	77 Å²	77	66.9 Å²	66.9	54%	0.538	35%	0.345	S	S	.	.			trans	-67.2	130	170.4	178.5	0	0	0	0	109.6	L99 Q167	L99-S165 WeakPolarHBondContact CD1-O 3.5Å; S165-Q167 PolarHBondContact O-N 3.3Å
166	P	84.9	Confident	90.9	Very high	40 Å²	40	69 Å²	69	26%	0.26	36%	0.358	S	S	.	.			trans	-74.2	23.1	177.9	33.3	-36.9	0	0	0	113	H148 F151 L156 L159 I168	H148-P166 HydrophobicContact CB-CB 4.44Å; F151-P166 HydrophobicContact CD2-CB 4.34Å; F151-P166 HydrophobicContact CE2-CB 4.35Å; L156-P166 HydrophobicContact CD2-CB 4.16Å; L159-P166 HydrophobicContact CD1-CB 4.06Å; P166-I168 PolarHBondContact O-N 3.29Å
167	Q	86.7	Confident	91.2	Very high	149 Å²	149	66.2 Å²	66.2	70%	0.696	34%	0.344	S	S	*	.			trans	-69.8	120.5	179.6	-172.1	178.5	15.9	0	0	110.3	S165	S165-Q167 PolarHBondContact O-N 3.3Å
168	I	90.6	Very high	91.4	Very high	38 Å²	38	69.5 Å²	69.5	20%	0.195	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	125.6	177	-61.9	157.9	0	0	0	108.3	P97 L140 I145 T147 F151 P166	P97-I168 HydrophobicContact CB-CG2 3.46Å; P97-I168 VanDerWaalsContact CB-CG2 3.46Å; L140-I168 HydrophobicContact CD1-CG1 4.03Å; L140-I168 HydrophobicContact CD1-CG2 4.38Å; I145-I168 HydrophobicContact CG2-CD1 3.41Å; I145-I168 VanDerWaalsContact CG2-CD1 3.41Å; I145-I168 HydrophobicContact CG2-CG1 4.23Å; T147-I168 VanDerWaalsContact O-CD1 3.3Å; T147-I168 WeakPolarHBondContact O-CD1 3.46Å; F151-I168 HydrophobicContact CE2-CD1 4.06Å; F151-I168 HydrophobicContact CE2-CG1 4.11Å; P166-I168 PolarHBondContact O-N 3.29Å
169	S	90.9	Very high	91.6	Very high	52 Å²	52	69.7 Å²	69.7	36%	0.364	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	166.9	168	60.8	0	0	0	0	110.2	P97 V98	P97-S169 CarbonylContact C-O 3.53Å; P97-S169 WeakPolarHBondContact CA-O 3.39Å; V98-S169 VanDerWaalsContact CG2-OG 3.22Å; V98-S169 WeakPolarHBondContact CG2-OG 3.29Å; V98-S169 PolarHBondContact N-O 2.89Å; V98-S169 PolarHBondContact O-N 3.02Å
170	K	91.8	Very high	91.7	Very high	167 Å²	167	69.8 Å²	69.8	73%	0.726	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	136.1	176.7	-76	179.8	168.9	-172.6	0	109.6	N95	N95-K170 VanDerWaalsContact OD1-CB 3.32Å; N95-K170 WeakPolarHBondContact OD1-CB 3.27Å; N95-K170 WeakPolarHBondContact OD1-CD 3.23Å; N95-K170 WeakPolarHBondContact OD1-CG 3.35Å
171	Y	93.3	Very high	91.7	Very high	63 Å²	63	67.9 Å²	67.9	25%	0.247	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.3	175.6	-178.5	-101.7	0	0	0	110.7	N95 I96 V98 I127 P130 L137 L139 L173	N95-Y171 WeakPolarHBondContact CA-O 3.48Å; I96-Y171 PolarHBondContact N-O 3.49Å; I96-Y171 PolarHBondContact O-N 3.06Å; V98-Y171 VanDerWaalsContact CG1-CB 3.44Å; V98-Y171 HydrophobicContact CG1-CG 4.27Å; I127-Y171 HydrophobicContact CD1-CD1 3.8Å; I127-Y171 HydrophobicContact CD1-CD2 4.48Å; I127-Y171 HydrophobicContact CD1-CE1 3.25Å; I127-Y171 HydrophobicContact CD1-CE2 4.02Å; I127-Y171 HydrophobicContact CD1-CG 4.38Å; P130-Y171 HydrophobicContact CG-CE2 4.07Å; L137-Y171 HydrophobicContact CD1-CD2 3.6Å; L137-Y171 HydrophobicContact CD1-CE2 3.91Å; L137-Y171 HydrophobicContact CD1-CG 4.2Å; L139-Y171 HydrophobicContact CD2-CD1 4.49Å; Y171-L173 HydrophobicContact CD1-CB 4.13Å; Y171-L173 HydrophobicContact CE1-CB 4.24Å; Y171-L173 HydrophobicContact CE1-CD1 4.24Å; Y171-L173 PolarHBondContact O-N 2.99Å
172	N	94.1	Very high	91.8	Very high	103 Å²	103	62.2 Å²	62.2	55%	0.551	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	93.1	175.1	-71.6	-23.9	0	0	0	109.1	T93 N95 E174	T93-N172 HydrophobicContact CG2-CB 3.76Å; N95-N172 PolarHBondContact ND2-OD1 2.95Å; N172-E174 PolarHBondContact O-N 2.91Å
173	L	93.6	Very high	91.8	Very high	17 Å²	17	65.6 Å²	65.6	9%	0.089	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	121	176	178.6	67.3	0	0	0	109.9	T93 V94 I96 I123 L139 Y171 L175	T93-L173 WeakPolarHBondContact CA-O 3.47Å; V94-L173 HydrophobicContact CG2-CB 3.94Å; V94-L173 HydrophobicContact CG2-CD2 4.24Å; V94-L173 HydrophobicContact CG2-CG 4.37Å; V94-L173 PolarHBondContact N-O 3.09Å; V94-L173 PolarHBondContact O-N 3.31Å; I96-L173 HydrophobicContact CD1-CB 3.79Å; I96-L173 HydrophobicContact CD1-CD2 3.74Å; I96-L173 HydrophobicContact CD1-CG 4.3Å; I96-L173 HydrophobicContact CG1-CB 3.99Å; I123-L173 HydrophobicContact CD1-CD2 4.17Å; I123-L173 HydrophobicContact CG2-CD2 4.02Å; L139-L173 HydrophobicContact CD1-CD1 4.4Å; L139-L173 HydrophobicContact CD1-CD2 4.33Å; Y171-L173 HydrophobicContact CD1-CB 4.13Å; Y171-L173 HydrophobicContact CE1-CB 4.24Å; Y171-L173 HydrophobicContact CE1-CD1 4.24Å; Y171-L173 PolarHBondContact O-N 2.99Å; L173-L175 HydrophobicContact CD2-CD2 3.76Å; L173-L175 HydrophobicContact CG-CD2 4.07Å
174	E	94.4	Very high	91.9	Very high	92 Å²	92	61.1 Å²	61.1	43%	0.43	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	115.9	170.3	-171.9	172.4	122.3	0	0	110.1	K91 N172 T176	K91-E174 WeakPolarHBondContact CE-OE1 3.31Å; K91-E174 WeakPolarHBondContact CE-OE2 3.23Å; K91-E174 HydrophobicContact CG-CG 4.24Å; K91-E174 IonicContact NZ-OE1 3.99Å; K91-E174 PolarHBondContact NZ-OE1 3.36Å; K91-E174 IonicContact NZ-OE2 2.74Å; K91-E174 PolarHBondContact NZ-OE2 2.89Å; N172-E174 PolarHBondContact O-N 2.91Å; E174-T176 HydrophobicContact CG-CG2 4.34Å
175	L	94.8	Very high	92.2	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	137.9	168.9	-55.7	176.3	0	0	0	108.8	F73 K91 K92 V94 I123 L173 N179 F180	F73-L175 HydrophobicContact CD1-CD1 4.04Å; K91-L175 CarbonylContact C-O 3.59Å; K91-L175 VanDerWaalsContact CA-O 3.32Å; K91-L175 WeakPolarHBondContact CA-O 3.23Å; K92-L175 HydrophobicContact CB-CB 4.43Å; K92-L175 PolarHBondContact N-O 3.01Å; K92-L175 WeakPolarHBondContact O-CA 3.05Å; K92-L175 WeakPolarHBondContact O-CB 3.25Å; K92-L175 PolarHBondContact O-N 3.22Å; V94-L175 HydrophobicContact CG1-CD1 3.84Å; V94-L175 HydrophobicContact CG2-CD1 3.95Å; V94-L175 HydrophobicContact CG2-CG 4.09Å; I123-L175 HydrophobicContact CD1-CD2 3.62Å; I123-L175 HydrophobicContact CG1-CD2 4.31Å; L173-L175 HydrophobicContact CD2-CD2 3.76Å; L173-L175 HydrophobicContact CG-CD2 4.07Å; L175-N179 HydrophobicContact CD2-CB 4.15Å; L175-F180 HydrophobicContact CB-CE2 4.32Å; L175-F180 HydrophobicContact CB-CZ 3.83Å; L175-F180 HydrophobicContact CD1-CE1 4.3Å; L175-F180 HydrophobicContact CD1-CZ 4.2Å
176	T	95.8	Very high	92.6	Very high	49 Å²	49	56.7 Å²	56.7	30%	0.301	28%	0.279	S	S	.	.			trans	-128	174.7	177.6	65.8	0	0	0	0	109.5	E174 E178 N179 F180	E174-T176 HydrophobicContact CG-CG2 4.34Å; T176-E178 PolarHBondContact O-N 3.49Å; T176-E178 PolarHBondContact OG1-N 3Å; T176-N179 PolarHBondContact N-OD1 3.03Å; T176-N179 PolarHBondContact O-N 3.43Å; T176-N179 PolarHBondContact O-OD1 3.28Å; T176-N179 PolarHBondContact OG1-OD1 3.45Å; T176-N179 VanDerWaalsContact OG1-OD1 3.06Å; T176-F180 WeakPolarHBondContact O-CD2 3.34Å; T176-F180 VanDerWaalsContact O-CE2 3.26Å; T176-F180 WeakPolarHBondContact O-CE2 3.48Å
177	Y	96.1	Very high	93	Very high	4 Å²	4	61.2 Å²	61.2	2%	0.016	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-45.8	-37.6	173.5	179.2	-102.7	0	0	0	113.1	L85 R87 F90 N179 F180 I185 V225 D228 K229	L85-Y177 HydrophobicContact CD1-CE2 3.96Å; L85-Y177 HydrophobicContact CD2-CE2 4.25Å; R87-Y177 HydrophobicContact CB-CD1 4.32Å; R87-Y177 HydrophobicContact CB-CG 4.04Å; R87-Y177 HydrophobicContact CG-CD1 3.91Å; R87-Y177 HydrophobicContact CG-CD2 4.23Å; R87-Y177 HydrophobicContact CG-CE1 4.11Å; R87-Y177 HydrophobicContact CG-CE2 4.43Å; R87-Y177 HydrophobicContact CG-CG 3.96Å; F90-Y177 HydrophobicContact CD1-CD2 4.38Å; F90-Y177 AromaticContact CD2-CD2 3.8Å; F90-Y177 HydrophobicContact CD2-CD2 3.8Å; F90-Y177 HydrophobicContact CE2-CD2 4.08Å; F90-Y177 AromaticContact CG-CD2 3.98Å; F90-Y177 HydrophobicContact CG-CD2 3.98Å; Y177-N179 PolarHBondContact O-N 3.22Å; Y177-F180 PolarHBondContact O-N 2.94Å; Y177-I185 HydrophobicContact CD2-CD1 3.76Å; Y177-I185 HydrophobicContact CD2-CG1 4.22Å; Y177-I185 HydrophobicContact CE2-CD1 3.37Å; Y177-I185 HydrophobicContact CE2-CG1 4.05Å; Y177-I185 HydrophobicContact CE2-CG2 4.1Å; Y177-V225 HydrophobicContact CE2-CG2 4.47Å; Y177-D228 HydrophobicContact CE1-CB 3.9Å; Y177-D228 VanDerWaalsContact CE1-OD2 3.25Å; Y177-D228 WeakPolarHBondContact CE1-OD2 3.32Å; Y177-D228 WeakPolarHBondContact OH-CB 3.43Å; Y177-D228 PolarHBondContact OH-OD2 3.16Å; Y177-K229 HydrophobicContact CE1-CD 4.42Å; Y177-K229 VanDerWaalsContact CE1-CE 3.43Å; Y177-K229 WeakPolarHBondContact O-CE 3.39Å; Y177-K229 PolarHBondContact O-NZ 2.94Å
178	E	94.3	Very high	93.3	Very high	119 Å²	119	54.6 Å²	54.6	56%	0.556	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-65.6	-22.6	-179.9	-62.6	-48.9	141.8	0	0	114.9	T176 K229	T176-E178 PolarHBondContact O-N 3.49Å; T176-E178 PolarHBondContact OG1-N 3Å; E178-K229 IonicContact OE2-NZ 3.85Å; E178-K229 PolarHBondContact OE2-NZ 2.95Å
179	N	93.9	Very high	93.6	Very high	31 Å²	31	52.8 Å²	52.8	17%	0.166	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-86.2	-8.5	-178.7	-52.8	111.7	0	0	0	113.3	G122 I123 L175 T176 Y177	G122-N179 PolarHBondContact O-ND2 2.9Å; I123-N179 HydrophobicContact CG1-CB 4.37Å; L175-N179 HydrophobicContact CD2-CB 4.15Å; T176-N179 PolarHBondContact N-OD1 3.03Å; T176-N179 PolarHBondContact O-N 3.43Å; T176-N179 PolarHBondContact O-OD1 3.28Å; T176-N179 PolarHBondContact OG1-OD1 3.45Å; T176-N179 VanDerWaalsContact OG1-OD1 3.06Å; Y177-N179 PolarHBondContact O-N 3.22Å
180	F	93.3	Very high	93.7	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.018	24%	0.235	C	C	.	.	S	Bend	trans	-104.4	141.8	-178.9	-55.5	-69.7	0	0	0	112.3	F73 P75 F90 L175 T176 Y177 E184 I185 K229	F73-F180 VanDerWaalsContact O-CE1 3.27Å; F73-F180 WeakPolarHBondContact O-CE1 3.44Å; P75-F180 HydrophobicContact CB-CE1 4.47Å; P75-F180 HydrophobicContact CB-CZ 4.41Å; P75-F180 HydrophobicContact CG-CB 4.49Å; P75-F180 HydrophobicContact CG-CD1 3.76Å; P75-F180 HydrophobicContact CG-CD2 4.29Å; P75-F180 HydrophobicContact CG-CE1 3.99Å; P75-F180 HydrophobicContact CG-CE2 4.5Å; P75-F180 HydrophobicContact CG-CG 3.92Å; P75-F180 HydrophobicContact CG-CZ 4.36Å; F90-F180 HydrophobicContact CB-CD2 4.3Å; F90-F180 HydrophobicContact CB-CE2 4.14Å; F90-F180 HydrophobicContact CD1-CD2 4.23Å; F90-F180 WeakPolarHBondContact O-CE2 3.36Å; L175-F180 HydrophobicContact CB-CE2 4.32Å; L175-F180 HydrophobicContact CB-CZ 3.83Å; L175-F180 HydrophobicContact CD1-CE1 4.3Å; L175-F180 HydrophobicContact CD1-CZ 4.2Å; T176-F180 WeakPolarHBondContact O-CD2 3.34Å; T176-F180 VanDerWaalsContact O-CE2 3.26Å; T176-F180 WeakPolarHBondContact O-CE2 3.48Å; Y177-F180 PolarHBondContact O-N 2.94Å; F180-E184 WeakPolarHBondContact CA-OE2 3.37Å; F180-E184 HydrophobicContact CB-CB 4.35Å; F180-I185 HydrophobicContact CB-CD1 4.06Å; F180-I185 HydrophobicContact CB-CG1 3.72Å; F180-K229 VanDerWaalsContact O-CE 3.28Å; F180-K229 WeakPolarHBondContact O-CE 3.45Å
181	K	91.8	Very high	93.7	Very high	111 Å²	111	44.6 Å²	44.6	48%	0.483	22%	0.215	S	C	.	.			trans	-73.9	159.1	171.8	-62.9	178.2	-177.6	173.8	0	110.6	E183 E184 I185	K181-E183 PolarHBondContact O-N 3.22Å; K181-E184 HydrophobicContact CB-CG 4.27Å; K181-E184 PolarHBondContact N-OE2 2.79Å; K181-E184 PolarHBondContact O-N 3.28Å; K181-E184 VanDerWaalsContact O-N 3.09Å; K181-I185 WeakPolarHBondContact O-CG1 3.49Å; K181-I185 PolarHBondContact O-N 2.84Å
182	S	92.7	Very high	93.4	Very high	21 Å²	21	49.2 Å²	49.2	15%	0.147	24%	0.239	C	C	.	.	H	α-helix	trans	-50.9	-45.4	175.6	-52.4	0	0	0	0	112.4	E184 I185 L186 K229	S182-E184 PolarHBondContact O-N 2.81Å; S182-I185 PolarHBondContact O-N 2.88Å; S182-L186 WeakPolarHBondContact O-CB 3.41Å; S182-L186 VanDerWaalsContact O-CG 3.26Å; S182-L186 WeakPolarHBondContact O-CG 3.32Å; S182-L186 PolarHBondContact O-N 3.4Å; S182-K229 WeakPolarHBondContact OG-CB 3.26Å; S182-K229 WeakPolarHBondContact OG-CG 3.44Å
183	E	91.4	Very high	92.9	Very high	86 Å²	86	48.6 Å²	48.6	40%	0.402	26%	0.256	S	S	.	.	H	α-helix	trans	-63.5	-41.3	-179.2	-172	-177.3	172	0	0	112.3	K181 L186 R187 V196	K181-E183 PolarHBondContact O-N 3.22Å; E183-L186 PolarHBondContact O-N 3.47Å; E183-R187 WeakPolarHBondContact O-CB 3.36Å; E183-R187 PolarHBondContact O-N 3.49Å; E183-R187 IonicContact OE1-CZ 2.75Å; E183-R187 IonicContact OE1-NE 3.48Å; E183-R187 IonicContact OE1-NH2 3.75Å; E183-R187 PolarHBondContact OE1-NH2 2.85Å; E183-V196 HydrophobicContact CG-CG1 4.31Å
184	E	92.1	Very high	92.5	Very high	44 Å²	44	50.9 Å²	50.9	21%	0.206	27%	0.266	C	S	.	.	H	α-helix	trans	-65.7	-43.4	179.1	-63	172.8	135.5	0	0	110.7	P75 R120 F180 K181 S182 A188	P75-E184 HydrophobicContact CG-CB 4.39Å; R120-E184 IonicContact CZ-OE1 2.68Å; R120-E184 VanDerWaalsContact CZ-OE1 3.22Å; R120-E184 IonicContact CZ-OE2 2.79Å; R120-E184 IonicContact NH1-OE1 3.01Å; R120-E184 PolarHBondContact NH1-OE1 3.32Å; R120-E184 IonicContact NH2-OE1 3.16Å; R120-E184 PolarHBondContact NH2-OE1 2.93Å; R120-E184 IonicContact NH2-OE2 3.12Å; R120-E184 PolarHBondContact NH2-OE2 2.82Å; F180-E184 WeakPolarHBondContact CA-OE2 3.37Å; F180-E184 HydrophobicContact CB-CB 4.35Å; K181-E184 HydrophobicContact CB-CG 4.27Å; K181-E184 PolarHBondContact N-OE2 2.79Å; K181-E184 PolarHBondContact O-N 3.28Å; K181-E184 VanDerWaalsContact O-N 3.09Å; S182-E184 PolarHBondContact O-N 2.81Å; E184-A188 WeakPolarHBondContact O-CB 3.24Å; E184-A188 PolarHBondContact O-N 3.32Å
185	I	94.3	Very high	91.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.5	-53.4	175.3	-71	158	0	0	0	110.5	F90 Y177 F180 K181 S182 R187 A188 V189 V225 K229	F90-I185 HydrophobicContact CD1-CG1 4.27Å; F90-I185 HydrophobicContact CE1-CB 4.13Å; F90-I185 HydrophobicContact CE1-CG1 3.94Å; F90-I185 HydrophobicContact CE1-CG2 3.78Å; F90-I185 HydrophobicContact CZ-CG2 3.72Å; Y177-I185 HydrophobicContact CD2-CD1 3.76Å; Y177-I185 HydrophobicContact CD2-CG1 4.22Å; Y177-I185 HydrophobicContact CE2-CD1 3.37Å; Y177-I185 HydrophobicContact CE2-CG1 4.05Å; Y177-I185 HydrophobicContact CE2-CG2 4.1Å; F180-I185 HydrophobicContact CB-CD1 4.06Å; F180-I185 HydrophobicContact CB-CG1 3.72Å; K181-I185 WeakPolarHBondContact O-CG1 3.49Å; K181-I185 PolarHBondContact O-N 2.84Å; S182-I185 PolarHBondContact O-N 2.88Å; I185-R187 VanDerWaalsContact C-N 3.34Å; I185-R187 PolarHBondContact O-N 3.17Å; I185-A188 PolarHBondContact O-N 3.3Å; I185-V189 WeakPolarHBondContact O-CG2 3.31Å; I185-V189 PolarHBondContact O-N 2.97Å; I185-V225 HydrophobicContact CB-CG1 4.32Å; I185-V225 HydrophobicContact CD1-CG1 4.35Å; I185-V225 HydrophobicContact CG2-CG1 4.04Å; I185-V225 HydrophobicContact CG2-CG2 3.66Å; I185-K229 HydrophobicContact CD1-CD 4.32Å; I185-K229 HydrophobicContact CD1-CG 4.25Å
186	L	94.4	Very high	91.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-68	-35.3	-176.3	-65.8	-176.5	0	0	0	112	S182 E183 A188 V189 L190 V196 L221 I222 V225 M226	S182-L186 WeakPolarHBondContact O-CB 3.41Å; S182-L186 VanDerWaalsContact O-CG 3.26Å; S182-L186 WeakPolarHBondContact O-CG 3.32Å; S182-L186 PolarHBondContact O-N 3.4Å; E183-L186 PolarHBondContact O-N 3.47Å; L186-A188 VanDerWaalsContact C-N 3.31Å; L186-A188 PolarHBondContact O-N 2.86Å; L186-V189 PolarHBondContact O-N 2.95Å; L186-L190 HydrophobicContact CB-CD1 4.48Å; L186-L190 WeakPolarHBondContact O-CB 3.48Å; L186-L190 VanDerWaalsContact O-CG 3.24Å; L186-L190 WeakPolarHBondContact O-CG 3.2Å; L186-L190 PolarHBondContact O-N 2.82Å; L186-V196 HydrophobicContact CB-CG1 3.51Å; L186-V196 HydrophobicContact CD1-CG1 4.3Å; L186-L221 HydrophobicContact CD2-CD2 3.77Å; L186-I222 HydrophobicContact CD1-CG1 4.44Å; L186-I222 HydrophobicContact CD1-CG2 4.24Å; L186-I222 HydrophobicContact CD2-CB 4.44Å; L186-I222 HydrophobicContact CD2-CG1 3.84Å; L186-V225 HydrophobicContact CD2-CB 4.19Å; L186-V225 HydrophobicContact CD2-CG1 4.24Å; L186-V225 HydrophobicContact CD2-CG2 4.11Å; L186-V225 HydrophobicContact CG-CG1 4.21Å; L186-M226 HydrophobicContact CD1-CE 3.69Å
187	R	93.1	Very high	90.6	Very high	134 Å²	134	49.6 Å²	49.6	51%	0.506	26%	0.262	S	S	.	.	H	α-helix	trans	-64.7	-34.5	174.9	-171.1	175.9	-63.1	-84.2	2.2	112.5	R80 E183 I185 V196	R80-R187 PolarHBondContact NH1-O 2.88Å; E183-R187 WeakPolarHBondContact O-CB 3.36Å; E183-R187 PolarHBondContact O-N 3.49Å; E183-R187 IonicContact OE1-CZ 2.75Å; E183-R187 IonicContact OE1-NE 3.48Å; E183-R187 IonicContact OE1-NH2 3.75Å; E183-R187 PolarHBondContact OE1-NH2 2.85Å; I185-R187 VanDerWaalsContact C-N 3.34Å; I185-R187 PolarHBondContact O-N 3.17Å; R187-V196 HydrophobicContact CB-CG2 3.85Å; R187-V196 HydrophobicContact CG-CG2 4.18Å
188	A	93.8	Very high	89.3	Confident	10 Å²	10	54.4 Å²	54.4	8%	0.083	30%	0.296	C	S	.	.	H	α-helix	trans	-76.1	-33.9	176.1	0	0	0	0	0	112.5	P75 V79 R80 E184 I185 L186	P75-A188 HydrophobicContact CB-CB 3.61Å; P75-A188 HydrophobicContact CG-CB 3.79Å; V79-A188 HydrophobicContact CG2-CB 3.67Å; R80-A188 WeakPolarHBondContact CA-O 3.48Å; R80-A188 WeakPolarHBondContact CD-O 2.88Å; R80-A188 VanDerWaalsContact CZ-O 3.24Å; R80-A188 PolarHBondContact NE-O 2.86Å; R80-A188 VanDerWaalsContact NE-O 3.08Å; E184-A188 WeakPolarHBondContact O-CB 3.24Å; E184-A188 PolarHBondContact O-N 3.32Å; I185-A188 PolarHBondContact O-N 3.3Å; L186-A188 VanDerWaalsContact C-N 3.31Å; L186-A188 PolarHBondContact O-N 2.86Å
189	V	94.9	Very high	88.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-81.1	-47.8	-177.5	169.9	0	0	0	0	113.2	V79 G81 M82 F90 I185 L186 F218 L221	V79-V189 HydrophobicContact CB-CG2 4.31Å; V79-V189 HydrophobicContact CG2-CG2 3.96Å; G81-V189 PolarHBondContact N-O 2.81Å; M82-V189 HydrophobicContact CB-CG1 4.11Å; M82-V189 HydrophobicContact CB-CG2 4.49Å; M82-V189 WeakPolarHBondContact O-CG1 3.36Å; F90-V189 HydrophobicContact CE1-CG2 4.42Å; F90-V189 HydrophobicContact CZ-CG2 3.8Å; I185-V189 WeakPolarHBondContact O-CG2 3.31Å; I185-V189 PolarHBondContact O-N 2.97Å; L186-V189 PolarHBondContact O-N 2.95Å; V189-F218 HydrophobicContact CG1-CD1 4.06Å; V189-F218 HydrophobicContact CG1-CE1 4.3Å; V189-L221 HydrophobicContact CG1-CD1 3.93Å; V189-L221 HydrophobicContact CG1-CD2 4.02Å
190	L	93.3	Very high	88.6	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	30%	0.296	C	S	.	.	S	Bend	trans	-65.7	154.3	-177.4	-67.6	174.2	0	0	0	111	R80 L186 V196 F218	R80-L190 WeakPolarHBondContact CD-O 3.15Å; R80-L190 PolarHBondContact NH1-O 2.85Å; L186-L190 HydrophobicContact CB-CD1 4.48Å; L186-L190 WeakPolarHBondContact O-CB 3.48Å; L186-L190 VanDerWaalsContact O-CG 3.24Å; L186-L190 WeakPolarHBondContact O-CG 3.2Å; L186-L190 PolarHBondContact O-N 2.82Å; L190-V196 HydrophobicContact CD1-CG1 4.48Å; L190-V196 HydrophobicContact CD1-CG2 4.3Å; L190-F218 HydrophobicContact CD2-CB 3.87Å; L190-F218 HydrophobicContact CD2-CD1 4.2Å; L190-F218 HydrophobicContact CD2-CD2 3.38Å; L190-F218 HydrophobicContact CD2-CE2 3.93Å; L190-F218 HydrophobicContact CD2-CG 3.54Å
191	P	92.3	Very high	88.6	Confident	47 Å²	47	52.4 Å²	52.4	31%	0.305	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-54.3	151.3	174.2	-25.7	32.7	0	0	0	114.1	Q194 F218	P191-Q194 HydrophobicContact CB-CG 4.13Å; P191-Q194 WeakPolarHBondContact O-CB 3.4Å; P191-Q194 PolarHBondContact O-N 3.25Å; P191-F218 HydrophobicContact CG-CE2 4.39Å; P191-F218 HydrophobicContact CG-CZ 4.32Å
192	E	88.4	Confident	88.7	Confident	160 Å²	160	52.8 Å²	52.8	75%	0.748	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	150.1	178.1	-70.8	-172.6	174.5	0	0	112.5	R80 Q194	R80-E192 IonicContact NH2-OE1 3.55Å; E192-Q194 PolarHBondContact O-N 2.89Å; E192-Q194 VanDerWaalsContact O-N 3.16Å
193	G	82.4	Confident	88.9	Confident	89 Å²	89	51.8 Å²	51.8	92%	0.918	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	-1.6	-177.7	0	0	0	0	0	114.9
194	Q	84.6	Confident	89.1	Confident	65 Å²	65	48.7 Å²	48.7	30%	0.304	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-89.6	142.1	176.9	-64.4	-170.4	-2.3	0	0	112.5	P191 E192 V196 H214	P191-Q194 HydrophobicContact CB-CG 4.13Å; P191-Q194 WeakPolarHBondContact O-CB 3.4Å; P191-Q194 PolarHBondContact O-N 3.25Å; E192-Q194 PolarHBondContact O-N 2.89Å; E192-Q194 VanDerWaalsContact O-N 3.16Å; Q194-V196 PolarHBondContact O-N 3.28Å; Q194-H214 PolarHBondContact OE1-CD2 3.28Å
195	D	82.6	Confident	89.3	Confident	86 Å²	86	48.1 Å²	48.1	46%	0.46	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-63.7	132.1	173.2	-79.1	-11.2	0	0	0	111	R212 H214 Q215	D195-R212 IonicContact OD2-CZ 2.75Å; D195-R212 VanDerWaalsContact OD2-CZ 3.23Å; D195-R212 IonicContact OD2-NH1 3.82Å; D195-R212 PolarHBondContact OD2-NH1 2.97Å; D195-R212 IonicContact OD2-NH2 3.27Å; D195-R212 PolarHBondContact OD2-NH2 3.09Å; D195-H214 PolarHBondContact O-NE2 3.42Å; D195-Q215 PolarHBondContact O-NE2 2.84Å
196	V	84.7	Confident	89.4	Confident	17 Å²	17	48.1 Å²	48.1	10%	0.103	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-88.6	144.1	174.8	-177.1	0	0	0	0	109.5	E183 L186 R187 L190 Q194 S198	E183-V196 HydrophobicContact CG-CG1 4.31Å; L186-V196 HydrophobicContact CB-CG1 3.51Å; L186-V196 HydrophobicContact CD1-CG1 4.3Å; R187-V196 HydrophobicContact CB-CG2 3.85Å; R187-V196 HydrophobicContact CG-CG2 4.18Å; L190-V196 HydrophobicContact CD1-CG1 4.48Å; L190-V196 HydrophobicContact CD1-CG2 4.3Å; Q194-V196 PolarHBondContact O-N 3.28Å; V196-S198 VanDerWaalsContact C-N 3.32Å; V196-S198 PolarHBondContact O-N 2.94Å
197	T	77.8	Confident	89.5	Confident	13 Å²	13	48.1 Å²	48.1	8%	0.08	28%	0.278	C	S	.	.			trans	-67.3	90.3	171.7	-42.9	0	0	0	0	109.8	L209 L211 Q215	T197-L209 HydrophobicContact CG2-CD2 3.62Å; T197-L211 HydrophobicContact CG2-CD2 4.35Å; T197-Q215 VanDerWaalsContact OG1-CD 3.24Å; T197-Q215 PolarHBondContact OG1-NE2 3.17Å; T197-Q215 PolarHBondContact OG1-OE1 2.79Å; T197-Q215 VanDerWaalsContact OG1-OE1 3.09Å
198	S	69.1	Low	89.5	Confident	104 Å²	104	42.6 Å²	42.6	73%	0.727	26%	0.258	S	S	*	.			trans	-87.7	-16.5	-175.5	57.5	0	0	0	0	114	V196	V196-S198 VanDerWaalsContact C-N 3.32Å; V196-S198 PolarHBondContact O-N 2.94Å
199	G	81.4	Confident	89.5	Confident	46 Å²	46	42.1 Å²	42.1	47%	0.474	25%	0.254	S	S	.	.			trans	-137.2	139.2	-178.1	0	0	0	0	0	113.1
200	F	91.6	Very high	89.2	Confident	58 Å²	58	46 Å²	46	25%	0.254	28%	0.275	S	S	.	.			trans	-134.1	161	171.7	70.3	-84.4	0	0	0	109.9	R202 A207 L209 M226 N230	F200-R202 HydrophobicContact CE2-CB 4.09Å; F200-A207 HydrophobicContact CD2-CB 3.65Å; F200-A207 HydrophobicContact CE2-CB 3.86Å; F200-A207 HydrophobicContact CG-CB 4.47Å; F200-L209 HydrophobicContact CB-CD2 3.75Å; F200-L209 HydrophobicContact CB-CG 4.2Å; F200-M226 HydrophobicContact CD1-SD 4Å; F200-M226 HydrophobicContact CE1-SD 4.32Å; F200-N230 HydrophobicContact CZ-CB 4.39Å; F200-N230 WeakPolarHBondContact CZ-OD1 3.47Å
201	S	93.4	Very high	89	Confident	9 Å²	9	47 Å²	47	6%	0.063	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.4	171.4	-76.9	0	0	0	0	109.4	H208 R284	S201-H208 PolarHBondContact N-O 3.43Å; S201-H208 WeakPolarHBondContact O-CB 3.47Å; S201-H208 PolarHBondContact O-N 3.29Å; S201-R284 PolarHBondContact OG-NE 3.23Å; S201-R284 PolarHBondContact OG-NH2 3.22Å
202	R	95.1	Very high	88.9	Confident	119 Å²	119	51 Å²	51	45%	0.449	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	127.4	172.6	-179.1	168.7	-174.9	155.4	3.8	110.6	F200 G204 I206 P231 G232 I233	F200-R202 HydrophobicContact CE2-CB 4.09Å; R202-G204 WeakPolarHBondContact CG-O 3.28Å; R202-G204 PolarHBondContact NE-O 3.25Å; R202-I206 WeakPolarHBondContact CA-O 3.5Å; R202-P231 PolarHBondContact NH1-O 3.14Å; R202-P231 PolarHBondContact NH2-O 2.96Å; R202-G232 PolarHBondContact NH2-O 3.25Å; R202-I233 HydrophobicContact CG-CD1 3.73Å
203	V	95.8	Very high	88.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	85.7	173.7	-169.5	0	0	0	0	108.1	H205 I206 T263 V265 F274 F276	V203-H205 PolarHBondContact O-N 3.22Å; V203-I206 PolarHBondContact N-O 3.12Å; V203-I206 WeakPolarHBondContact O-CB 3.4Å; V203-I206 PolarHBondContact O-N 2.85Å; V203-T263 HydrophobicContact CG1-CG2 3.74Å; V203-T263 PolarHBondContact O-OG1 2.89Å; V203-V265 HydrophobicContact CG1-CG1 3.77Å; V203-F274 HydrophobicContact CG1-CE2 3.9Å; V203-F274 HydrophobicContact CG1-CZ 3.93Å; V203-F276 HydrophobicContact CG1-CD2 4.1Å; V203-F276 HydrophobicContact CG1-CE2 4.38Å; V203-F276 HydrophobicContact CG1-CG 4.27Å; V203-F276 HydrophobicContact CG2-CE1 4.21Å; V203-F276 HydrophobicContact CG2-CE2 4.08Å; V203-F276 HydrophobicContact CG2-CZ 3.9Å
204	G	95.8	Very high	89.3	Confident	20 Å²	20	48.4 Å²	48.4	21%	0.206	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	-115.2	-174	0	0	0	0	0	110.7	R202 T263	R202-G204 WeakPolarHBondContact CG-O 3.28Å; R202-G204 PolarHBondContact NE-O 3.25Å; G204-T263 WeakPolarHBondContact CA-OG1 3.38Å
205	H	96.7	Very high	89.7	Confident	32 Å²	32	45.5 Å²	45.5	15%	0.148	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	1.6	174.6	64.7	-66.4	0	0	0	114	V203 G232 I233 T234 S235 N260 M262	V203-H205 PolarHBondContact O-N 3.22Å; H205-G232 VanDerWaalsContact CA-O 3.32Å; H205-G232 WeakPolarHBondContact CA-O 3.36Å; H205-I233 CarbonylContact O-C 3.55Å; H205-I233 VanDerWaalsContact O-CA 3.28Å; H205-I233 WeakPolarHBondContact O-CA 2.89Å; H205-I233 WeakPolarHBondContact O-CG2 3.15Å; H205-T234 PolarHBondContact CD2-OG1 3.41Å; H205-T234 PolarHBondContact O-N 3.1Å; H205-S235 PolarHBondContact O-N 2.91Å; H205-N260 PolarHBondContact NE2-O 2.85Å; H205-M262 PolarHBondContact CE1-O 2.85Å
206	I	97.2	Very high	90.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	127.5	-176	-52.9	168.2	0	0	0	109.9	R202 V203 S235 V237 M261 T263 F276	R202-I206 WeakPolarHBondContact CA-O 3.5Å; V203-I206 PolarHBondContact N-O 3.12Å; V203-I206 WeakPolarHBondContact O-CB 3.4Å; V203-I206 PolarHBondContact O-N 2.85Å; I206-S235 CarbonylContact C-O 3.55Å; I206-S235 WeakPolarHBondContact CA-O 3.4Å; I206-V237 HydrophobicContact CG2-CG1 4.06Å; I206-V237 HydrophobicContact CG2-CG2 3.64Å; I206-M261 HydrophobicContact CD1-SD 4.05Å; I206-T263 HydrophobicContact CD1-CG2 4.45Å; I206-F276 HydrophobicContact CD1-CB 4.02Å; I206-F276 HydrophobicContact CD1-CD1 4.18Å; I206-F276 HydrophobicContact CD1-CG 4.5Å; I206-F276 HydrophobicContact CG2-CD1 4.33Å
207	A	95.9	Very high	90.6	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	111	167.6	0	0	0	0	0	109.6	F200 I233 S235 A236 V237	F200-A207 HydrophobicContact CD2-CB 3.65Å; F200-A207 HydrophobicContact CE2-CB 3.86Å; F200-A207 HydrophobicContact CG-CB 4.47Å; A207-I233 HydrophobicContact CB-CD1 4.31Å; A207-I233 HydrophobicContact CB-CG1 4.43Å; A207-I233 HydrophobicContact CB-CG2 3.7Å; A207-S235 PolarHBondContact N-O 2.88Å; A207-A236 WeakPolarHBondContact O-CA 3.24Å; A207-V237 PolarHBondContact O-N 3.17Å
208	H	93.8	Very high	91.4	Very high	19 Å²	19	48 Å²	48	9%	0.088	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	114.5	179.2	174	-153	0	0	0	110.9	S201 V237 F276	S201-H208 PolarHBondContact N-O 3.43Å; S201-H208 WeakPolarHBondContact O-CB 3.47Å; S201-H208 PolarHBondContact O-N 3.29Å; H208-V237 HydrophobicContact CB-CG2 4.16Å; H208-F276 HydrophobicContact CB-CE1 4.1Å; H208-F276 HydrophobicContact CB-CZ 4.41Å; H208-F276 AromaticContact ND1-CZ 3.79Å
209	L	92.2	Very high	92.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	158	-176.9	-62.9	143.6	0	0	0	110.8	T197 F200 L211 M226 A236 V237 N238 K239 L255	T197-L209 HydrophobicContact CG2-CD2 3.62Å; F200-L209 HydrophobicContact CB-CD2 3.75Å; F200-L209 HydrophobicContact CB-CG 4.2Å; L209-L211 HydrophobicContact CB-CD2 4.29Å; L209-M226 HydrophobicContact CD1-CG 4.07Å; L209-M226 HydrophobicContact CD2-CE 4Å; L209-M226 HydrophobicContact CD2-CG 4.06Å; L209-M226 HydrophobicContact CD2-SD 4.15Å; L209-A236 HydrophobicContact CD1-CB 4.22Å; L209-V237 WeakPolarHBondContact CB-O 3.44Å; L209-V237 PolarHBondContact N-O 2.81Å; L209-N238 PolarHBondContact O-OD1 2.98Å; L209-K239 PolarHBondContact O-N 3.34Å; L209-L255 HydrophobicContact CD1-CD1 3.53Å
210	N	88.9	Confident	93.3	Very high	82 Å²	82	48.5 Å²	48.5	44%	0.439	24%	0.237	S	C	.	.			trans	-127.1	86.1	170.2	-62	-87.3	0	0	0	107.2	K239	N210-K239 WeakPolarHBondContact OD1-CD 3.14Å
211	L	90.4	Very high	93.5	Very high	20 Å²	20	45.8 Å²	45.8	11%	0.105	23%	0.225	C	C	.	.			trans	-72.7	142.2	-179.1	-59.7	-173	0	0	0	110.6	T197 L209 Q215 L216 K219 I222 N238 L255	T197-L211 HydrophobicContact CG2-CD2 4.35Å; L209-L211 HydrophobicContact CB-CD2 4.29Å; L211-Q215 HydrophobicContact CB-CB 4.32Å; L211-Q215 HydrophobicContact CD2-CB 4.45Å; L211-L216 HydrophobicContact CB-CD2 3.99Å; L211-K219 HydrophobicContact CD1-CB 3.49Å; L211-K219 VanDerWaalsContact CD1-CB 3.49Å; L211-I222 HydrophobicContact CD1-CD1 4.45Å; L211-I222 HydrophobicContact CD2-CD1 4Å; L211-I222 HydrophobicContact CD2-CG2 4.03Å; L211-N238 HydrophobicContact CD1-CB 4.47Å; L211-N238 HydrophobicContact CG-CB 4.4Å; L211-N238 PolarHBondContact N-OD1 3.14Å; L211-L255 HydrophobicContact CD1-CD1 3.77Å; L211-L255 HydrophobicContact CD1-CD2 4.15Å; L211-L255 HydrophobicContact CG-CD1 4.33Å
212	R	88.4	Confident	93.6	Very high	133 Å²	133	45.4 Å²	45.4	50%	0.502	22%	0.222	S	C	.	.			trans	-91.8	163.4	171.8	-58	-176.3	-168	173.6	13.2	110.5	D195 H214 Q215 L216	D195-R212 IonicContact OD2-CZ 2.75Å; D195-R212 VanDerWaalsContact OD2-CZ 3.23Å; D195-R212 IonicContact OD2-NH1 3.82Å; D195-R212 PolarHBondContact OD2-NH1 2.97Å; D195-R212 IonicContact OD2-NH2 3.27Å; D195-R212 PolarHBondContact OD2-NH2 3.09Å; R212-H214 VanDerWaalsContact C-N 3.27Å; R212-H214 PolarHBondContact O-N 3.46Å; R212-Q215 HydrophobicContact CB-CG 4.46Å; R212-Q215 VanDerWaalsContact N-OE1 3.09Å; R212-Q215 WeakPolarHBondContact O-CA 3.29Å; R212-Q215 WeakPolarHBondContact O-CB 3.21Å; R212-Q215 PolarHBondContact O-N 2.82Å; R212-L216 PolarHBondContact O-N 3.29Å
213	D	89.6	Confident	93.7	Very high	136 Å²	136	39.7 Å²	39.7	73%	0.727	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-53.2	-42.1	-174.7	-63.6	-16.8	0	0	0	113.2	Q215 L216 P217	D213-Q215 PolarHBondContact O-N 2.89Å; D213-L216 WeakPolarHBondContact O-CB 3.37Å; D213-L216 PolarHBondContact O-N 2.76Å; D213-P217 WeakPolarHBondContact O-CD 3.32Å
214	H	90.5	Very high	93.8	Very high	57 Å²	57	42.7 Å²	42.7	26%	0.264	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-66.3	-19.9	177.6	68.9	-95.8	0	0	0	114.2	Q194 D195 R212	Q194-H214 PolarHBondContact OE1-CD2 3.28Å; D195-H214 PolarHBondContact O-NE2 3.42Å; R212-H214 VanDerWaalsContact C-N 3.27Å; R212-H214 PolarHBondContact O-N 3.46Å
215	Q	92.4	Very high	93.8	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.019	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-92	-17.9	179.5	-55.7	178.9	-35.8	0	0	112.2	D195 T197 L211 R212 D213 P217 F218 K219 I222	D195-Q215 PolarHBondContact O-NE2 2.84Å; T197-Q215 VanDerWaalsContact OG1-CD 3.24Å; T197-Q215 PolarHBondContact OG1-NE2 3.17Å; T197-Q215 PolarHBondContact OG1-OE1 2.79Å; T197-Q215 VanDerWaalsContact OG1-OE1 3.09Å; L211-Q215 HydrophobicContact CB-CB 4.32Å; L211-Q215 HydrophobicContact CD2-CB 4.45Å; R212-Q215 HydrophobicContact CB-CG 4.46Å; R212-Q215 VanDerWaalsContact N-OE1 3.09Å; R212-Q215 WeakPolarHBondContact O-CA 3.29Å; R212-Q215 WeakPolarHBondContact O-CB 3.21Å; R212-Q215 PolarHBondContact O-N 2.82Å; D213-Q215 PolarHBondContact O-N 2.89Å; Q215-P217 VanDerWaalsContact C-CD 3.45Å; Q215-F218 CarbonylContact O-C 3.52Å; Q215-F218 WeakPolarHBondContact O-CA 3.32Å; Q215-F218 PolarHBondContact O-N 3.41Å; Q215-K219 PolarHBondContact O-N 3.12Å; Q215-I222 HydrophobicContact CB-CD1 3.92Å
216	L	92	Very high	93.7	Very high	66 Å²	66	40.4 Å²	40.4	35%	0.346	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-58.2	-37.9	-177.8	-61.9	179.7	0	0	0	114	L211 R212 D213 F218 K219	L211-L216 HydrophobicContact CB-CD2 3.99Å; R212-L216 PolarHBondContact O-N 3.29Å; D213-L216 WeakPolarHBondContact O-CB 3.37Å; D213-L216 PolarHBondContact O-N 2.76Å; L216-F218 PolarHBondContact O-N 2.86Å; L216-F218 VanDerWaalsContact O-N 3.14Å; L216-K219 VanDerWaalsContact O-CB 3.3Å; L216-K219 WeakPolarHBondContact O-CB 3.41Å; L216-K219 VanDerWaalsContact O-CG 3.29Å; L216-K219 WeakPolarHBondContact O-CG 3.33Å; L216-K219 PolarHBondContact O-N 2.76Å; L216-K219 VanDerWaalsContact O-N 3.16Å
217	P	94.6	Very high	93.7	Very high	89 Å²	89	42.1 Å²	42.1	58%	0.578	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-59.7	-23.4	173.9	-25.1	35.9	0	0	0	113.8	D213 Q215	D213-P217 WeakPolarHBondContact O-CD 3.32Å; Q215-P217 VanDerWaalsContact C-CD 3.45Å
218	F	95.3	Very high	93.7	Very high	15 Å²	15	44.8 Å²	44.8	7%	0.066	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-104.1	5.6	-177.3	-56.4	-85.4	0	0	0	112.9	M82 T83 V189 L190 P191 Q215 L216 Q220 L221 I222	M82-F218 VanDerWaalsContact O-CD1 3.23Å; M82-F218 WeakPolarHBondContact O-CD1 2.99Å; M82-F218 WeakPolarHBondContact O-CE1 3.33Å; T83-F218 HydrophobicContact CG2-CD1 4.12Å; T83-F218 HydrophobicContact CG2-CE1 3.96Å; V189-F218 HydrophobicContact CG1-CD1 4.06Å; V189-F218 HydrophobicContact CG1-CE1 4.3Å; L190-F218 HydrophobicContact CD2-CB 3.87Å; L190-F218 HydrophobicContact CD2-CD1 4.2Å; L190-F218 HydrophobicContact CD2-CD2 3.38Å; L190-F218 HydrophobicContact CD2-CE2 3.93Å; L190-F218 HydrophobicContact CD2-CG 3.54Å; P191-F218 HydrophobicContact CG-CE2 4.39Å; P191-F218 HydrophobicContact CG-CZ 4.32Å; Q215-F218 CarbonylContact O-C 3.52Å; Q215-F218 WeakPolarHBondContact O-CA 3.32Å; Q215-F218 PolarHBondContact O-N 3.41Å; L216-F218 PolarHBondContact O-N 2.86Å; L216-F218 VanDerWaalsContact O-N 3.14Å; F218-Q220 VanDerWaalsContact C-N 3.3Å; F218-Q220 PolarHBondContact O-N 2.98Å; F218-Q220 VanDerWaalsContact O-N 3.14Å; F218-L221 WeakPolarHBondContact O-CB 3.34Å; F218-L221 PolarHBondContact O-N 2.84Å; F218-I222 HydrophobicContact CB-CD1 4Å; F218-I222 HydrophobicContact CB-CG1 4.23Å; F218-I222 WeakPolarHBondContact O-CG1 3.45Å; F218-I222 PolarHBondContact O-N 2.87Å
219	K	94.1	Very high	93.7	Very high	65 Å²	65	45.6 Å²	45.6	28%	0.283	23%	0.225	S	C	.	.	H	α-helix	trans	-55.6	-39	-166.2	71.8	-177.4	-178.6	170.4	0	114.6	L211 Q215 L216 G223 E253 L255	L211-K219 HydrophobicContact CD1-CB 3.49Å; L211-K219 VanDerWaalsContact CD1-CB 3.49Å; Q215-K219 PolarHBondContact O-N 3.12Å; L216-K219 VanDerWaalsContact O-CB 3.3Å; L216-K219 WeakPolarHBondContact O-CB 3.41Å; L216-K219 VanDerWaalsContact O-CG 3.29Å; L216-K219 WeakPolarHBondContact O-CG 3.33Å; L216-K219 PolarHBondContact O-N 2.76Å; L216-K219 VanDerWaalsContact O-N 3.16Å; K219-G223 PolarHBondContact O-N 3.04Å; K219-E253 IonicContact NZ-OE1 2.84Å; K219-E253 IonicContact NZ-OE2 3.23Å; K219-E253 PolarHBondContact NZ-OE2 2.88Å; K219-L255 HydrophobicContact CB-CD2 3.81Å; K219-L255 HydrophobicContact CD-CD2 4.2Å; K219-L255 HydrophobicContact CG-CD2 4.13Å
220	Q	95.7	Very high	93.8	Very high	95 Å²	95	47.3 Å²	47.3	44%	0.444	23%	0.234	S	C	.	.	H	α-helix	trans	-69.2	-44.7	179.4	-65.7	-68.8	-48.6	0	0	111.3	F218 G223 Q224 L255	F218-Q220 VanDerWaalsContact C-N 3.3Å; F218-Q220 PolarHBondContact O-N 2.98Å; F218-Q220 VanDerWaalsContact O-N 3.14Å; Q220-G223 PolarHBondContact O-N 2.92Å; Q220-Q224 WeakPolarHBondContact O-CG 3.41Å; Q220-Q224 PolarHBondContact O-N 3.46Å; Q220-L255 PolarHBondContact NE2-O 3.35Å; Q220-L255 PolarHBondContact OE1-O 2.61Å
221	L	96.3	Very high	94	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-45.7	174.4	180	152	0	0	0	110.9	M82 L85 L186 V189 F218 G223 Q224 V225	M82-L221 HydrophobicContact CB-CD1 4.37Å; M82-L221 HydrophobicContact CG-CD1 3.89Å; M82-L221 WeakPolarHBondContact O-CD1 3.37Å; M82-L221 HydrophobicContact SD-CD1 4.04Å; L85-L221 HydrophobicContact CB-CD1 4.13Å; L85-L221 HydrophobicContact CB-CG 4.02Å; L85-L221 HydrophobicContact CD1-CD1 4.2Å; L85-L221 HydrophobicContact CD1-CG 4.16Å; L186-L221 HydrophobicContact CD2-CD2 3.77Å; V189-L221 HydrophobicContact CG1-CD1 3.93Å; V189-L221 HydrophobicContact CG1-CD2 4.02Å; F218-L221 WeakPolarHBondContact O-CB 3.34Å; F218-L221 PolarHBondContact O-N 2.84Å; L221-G223 VanDerWaalsContact C-N 3.3Å; L221-G223 PolarHBondContact O-N 2.98Å; L221-Q224 PolarHBondContact O-N 3.4Å; L221-Q224 VanDerWaalsContact O-N 3.17Å; L221-V225 HydrophobicContact CD2-CG2 3.94Å; L221-V225 HydrophobicContact CG-CG2 4.5Å; L221-V225 WeakPolarHBondContact O-CG2 3.31Å; L221-V225 PolarHBondContact O-N 2.93Å
222	I	95.9	Very high	94.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-57.2	-46.6	176.2	-65.6	166.1	0	0	0	110.1	L186 L211 Q215 F218 Q224 V225 M226	L186-I222 HydrophobicContact CD1-CG1 4.44Å; L186-I222 HydrophobicContact CD1-CG2 4.24Å; L186-I222 HydrophobicContact CD2-CB 4.44Å; L186-I222 HydrophobicContact CD2-CG1 3.84Å; L211-I222 HydrophobicContact CD1-CD1 4.45Å; L211-I222 HydrophobicContact CD2-CD1 4Å; L211-I222 HydrophobicContact CD2-CG2 4.03Å; Q215-I222 HydrophobicContact CB-CD1 3.92Å; F218-I222 HydrophobicContact CB-CD1 4Å; F218-I222 HydrophobicContact CB-CG1 4.23Å; F218-I222 WeakPolarHBondContact O-CG1 3.45Å; F218-I222 PolarHBondContact O-N 2.87Å; I222-Q224 PolarHBondContact O-N 2.89Å; I222-V225 PolarHBondContact O-N 2.99Å; I222-M226 HydrophobicContact CG2-CE 4.33Å; I222-M226 HydrophobicContact CG2-CG 4.37Å; I222-M226 WeakPolarHBondContact O-CG 3.26Å; I222-M226 PolarHBondContact O-N 2.84Å
223	G	96.1	Very high	94.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.2	-44.8	176.1	0	0	0	0	0	113.2	K219 Q220 L221 M226 I227	K219-G223 PolarHBondContact O-N 3.04Å; Q220-G223 PolarHBondContact O-N 2.92Å; L221-G223 VanDerWaalsContact C-N 3.3Å; L221-G223 PolarHBondContact O-N 2.98Å; G223-M226 PolarHBondContact O-N 2.75Å; G223-I227 PolarHBondContact O-N 2.69Å; G223-I227 VanDerWaalsContact O-N 3.14Å
224	Q	97.1	Very high	95	Very high	62 Å²	62	40 Å²	40	29%	0.29	23%	0.225	S	C	.	.	H	α-helix	trans	-64.2	-45.3	177.4	-72	176.4	-17.4	0	0	112.3	L85 Q220 L221 I222 M226 I227 D228 S256	L85-Q224 HydrophobicContact CD2-CB 3.88Å; Q220-Q224 WeakPolarHBondContact O-CG 3.41Å; Q220-Q224 PolarHBondContact O-N 3.46Å; L221-Q224 PolarHBondContact O-N 3.4Å; L221-Q224 VanDerWaalsContact O-N 3.17Å; I222-Q224 PolarHBondContact O-N 2.89Å; Q224-M226 VanDerWaalsContact C-N 3.25Å; Q224-M226 PolarHBondContact O-N 3.19Å; Q224-I227 PolarHBondContact O-N 3.37Å; Q224-D228 WeakPolarHBondContact O-CB 3.46Å; Q224-D228 VanDerWaalsContact O-CG 3.29Å; Q224-D228 PolarHBondContact O-N 3.31Å; Q224-S256 VanDerWaalsContact CG-OG 3.3Å; Q224-S256 WeakPolarHBondContact CG-OG 3.4Å
225	V	96.3	Very high	95.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.6	-38	176.8	173.9	0	0	0	0	111.3	L85 Y177 I185 L186 L221 I222 K229	L85-V225 HydrophobicContact CD1-CG2 4.13Å; L85-V225 HydrophobicContact CD2-CG2 4.12Å; Y177-V225 HydrophobicContact CE2-CG2 4.47Å; I185-V225 HydrophobicContact CB-CG1 4.32Å; I185-V225 HydrophobicContact CD1-CG1 4.35Å; I185-V225 HydrophobicContact CG2-CG1 4.04Å; I185-V225 HydrophobicContact CG2-CG2 3.66Å; L186-V225 HydrophobicContact CD2-CB 4.19Å; L186-V225 HydrophobicContact CD2-CG1 4.24Å; L186-V225 HydrophobicContact CD2-CG2 4.11Å; L186-V225 HydrophobicContact CG-CG1 4.21Å; L221-V225 HydrophobicContact CD2-CG2 3.94Å; L221-V225 HydrophobicContact CG-CG2 4.5Å; L221-V225 WeakPolarHBondContact O-CG2 3.31Å; L221-V225 PolarHBondContact O-N 2.93Å; I222-V225 PolarHBondContact O-N 2.99Å; V225-K229 HydrophobicContact CG1-CG 4.23Å; V225-K229 VanDerWaalsContact O-CB 3.3Å; V225-K229 WeakPolarHBondContact O-CB 3.32Å; V225-K229 WeakPolarHBondContact O-CG 3.48Å; V225-K229 PolarHBondContact O-N 2.85Å; V225-K229 VanDerWaalsContact O-N 3.11Å
226	M	95.6	Very high	95.5	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.02	21%	0.211	C	C	.	.	H	α-helix	trans	-66	-40.6	177.4	-68.5	-67.4	163.1	0	0	112	L186 F200 L209 I222 G223 Q224 N230 A236	L186-M226 HydrophobicContact CD1-CE 3.69Å; F200-M226 HydrophobicContact CD1-SD 4Å; F200-M226 HydrophobicContact CE1-SD 4.32Å; L209-M226 HydrophobicContact CD1-CG 4.07Å; L209-M226 HydrophobicContact CD2-CE 4Å; L209-M226 HydrophobicContact CD2-CG 4.06Å; L209-M226 HydrophobicContact CD2-SD 4.15Å; I222-M226 HydrophobicContact CG2-CE 4.33Å; I222-M226 HydrophobicContact CG2-CG 4.37Å; I222-M226 WeakPolarHBondContact O-CG 3.26Å; I222-M226 PolarHBondContact O-N 2.84Å; G223-M226 PolarHBondContact O-N 2.75Å; Q224-M226 VanDerWaalsContact C-N 3.25Å; Q224-M226 PolarHBondContact O-N 3.19Å; M226-N230 VanDerWaalsContact O-CB 3.27Å; M226-N230 WeakPolarHBondContact O-CB 3.43Å; M226-N230 PolarHBondContact O-N 2.74Å; M226-N230 PolarHBondContact O-ND2 3.04Å; M226-A236 HydrophobicContact CB-CB 4.34Å
227	I	95.9	Very high	95.6	Very high	36 Å²	36	34 Å²	34	19%	0.185	20%	0.195	C	C	.	.	H	α-helix	trans	-67.8	-51.8	176	-69.1	174.3	0	0	0	110.8	G223 Q224 K229 N230 I233 A236 S256 G257	G223-I227 PolarHBondContact O-N 2.69Å; G223-I227 VanDerWaalsContact O-N 3.14Å; Q224-I227 PolarHBondContact O-N 3.37Å; I227-K229 VanDerWaalsContact C-N 3.26Å; I227-K229 PolarHBondContact O-N 3.24Å; I227-N230 PolarHBondContact O-N 2.63Å; I227-I233 HydrophobicContact CG1-CG2 4.14Å; I227-A236 HydrophobicContact CD1-CB 4.38Å; I227-A236 HydrophobicContact CG1-CB 4.2Å; I227-S256 VanDerWaalsContact CD1-C 3.47Å; I227-S256 WeakPolarHBondContact CD1-O 3.37Å; I227-G257 VanDerWaalsContact CD1-CA 3.49Å
228	D	95.8	Very high	95.5	Very high	57 Å²	57	30 Å²	30	31%	0.305	17%	0.169	S	C	.	.	H	α-helix	trans	-57.6	-39.6	-176	-72.5	-2	0	0	0	112.3	R87 Y177 Q224	R87-D228 IonicContact CZ-OD2 2.74Å; R87-D228 IonicContact NE-OD2 3.16Å; R87-D228 PolarHBondContact NE-OD2 3.29Å; R87-D228 VanDerWaalsContact NH2-CG 3.35Å; R87-D228 IonicContact NH2-OD1 3.8Å; R87-D228 PolarHBondContact NH2-OD1 2.89Å; R87-D228 VanDerWaalsContact NH2-OD1 3.1Å; R87-D228 IonicContact NH2-OD2 2.89Å; R87-D228 PolarHBondContact NH2-OD2 3.12Å; Y177-D228 HydrophobicContact CE1-CB 3.9Å; Y177-D228 VanDerWaalsContact CE1-OD2 3.25Å; Y177-D228 WeakPolarHBondContact CE1-OD2 3.32Å; Y177-D228 WeakPolarHBondContact OH-CB 3.43Å; Y177-D228 PolarHBondContact OH-OD2 3.16Å; Q224-D228 WeakPolarHBondContact O-CB 3.46Å; Q224-D228 VanDerWaalsContact O-CG 3.29Å; Q224-D228 PolarHBondContact O-N 3.31Å
229	K	94	Very high	94.9	Very high	35 Å²	35	32 Å²	32	15%	0.152	18%	0.178	C	C	.	.	H	α-helix	trans	-95.6	-3.6	-171.1	-61	-52.1	-175.8	-169.6	0	115	Y177 E178 F180 S182 I185 V225 I227	Y177-K229 HydrophobicContact CE1-CD 4.42Å; Y177-K229 VanDerWaalsContact CE1-CE 3.43Å; Y177-K229 WeakPolarHBondContact O-CE 3.39Å; Y177-K229 PolarHBondContact O-NZ 2.94Å; E178-K229 IonicContact OE2-NZ 3.85Å; E178-K229 PolarHBondContact OE2-NZ 2.95Å; F180-K229 VanDerWaalsContact O-CE 3.28Å; F180-K229 WeakPolarHBondContact O-CE 3.45Å; S182-K229 WeakPolarHBondContact OG-CB 3.26Å; S182-K229 WeakPolarHBondContact OG-CG 3.44Å; I185-K229 HydrophobicContact CD1-CD 4.32Å; I185-K229 HydrophobicContact CD1-CG 4.25Å; V225-K229 HydrophobicContact CG1-CG 4.23Å; V225-K229 VanDerWaalsContact O-CB 3.3Å; V225-K229 WeakPolarHBondContact O-CB 3.32Å; V225-K229 WeakPolarHBondContact O-CG 3.48Å; V225-K229 PolarHBondContact O-N 2.85Å; V225-K229 VanDerWaalsContact O-N 3.11Å; I227-K229 VanDerWaalsContact C-N 3.26Å; I227-K229 PolarHBondContact O-N 3.24Å
230	N	94.4	Very high	94.1	Very high	36 Å²	36	32 Å²	32	19%	0.193	18%	0.18	C	C	.	.	S	Bend	trans	-125.9	93	-177.8	-63.1	-89	0	0	0	110.7	F200 M226 I227 G232 I233	F200-N230 HydrophobicContact CZ-CB 4.39Å; F200-N230 WeakPolarHBondContact CZ-OD1 3.47Å; M226-N230 VanDerWaalsContact O-CB 3.27Å; M226-N230 WeakPolarHBondContact O-CB 3.43Å; M226-N230 PolarHBondContact O-N 2.74Å; M226-N230 PolarHBondContact O-ND2 3.04Å; I227-N230 PolarHBondContact O-N 2.63Å; N230-G232 PolarHBondContact O-N 3.16Å; N230-I233 HydrophobicContact CB-CB 4.28Å; N230-I233 HydrophobicContact CB-CG1 3.67Å; N230-I233 WeakPolarHBondContact O-CB 3.31Å; N230-I233 WeakPolarHBondContact O-CG1 3.34Å; N230-I233 PolarHBondContact O-N 3.26Å
231	P	93.4	Very high	92.4	Very high	114 Å²	114	34.4 Å²	34.4	74%	0.74	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	133.7	-179.4	-29.2	35.7	0	0	0	113.8	R202 I233	R202-P231 PolarHBondContact NH1-O 3.14Å; R202-P231 PolarHBondContact NH2-O 2.96Å; P231-I233 VanDerWaalsContact C-N 3.29Å
232	G	95.1	Very high	90.4	Very high	49 Å²	49	40 Å²	40	51%	0.505	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	5.8	-177.8	0	0	0	0	0	114.8	R202 H205 N230	R202-G232 PolarHBondContact NH2-O 3.25Å; H205-G232 VanDerWaalsContact CA-O 3.32Å; H205-G232 WeakPolarHBondContact CA-O 3.36Å; N230-G232 PolarHBondContact O-N 3.16Å
233	I	96.8	Very high	88.4	Confident	7 Å²	7	43.5 Å²	43.5	4%	0.036	24%	0.244	C	C	.	.			trans	-86.7	127.5	160.7	-59.9	-59.9	0	0	0	107.8	R202 H205 A207 I227 N230 P231 S235	R202-I233 HydrophobicContact CG-CD1 3.73Å; H205-I233 CarbonylContact O-C 3.55Å; H205-I233 VanDerWaalsContact O-CA 3.28Å; H205-I233 WeakPolarHBondContact O-CA 2.89Å; H205-I233 WeakPolarHBondContact O-CG2 3.15Å; A207-I233 HydrophobicContact CB-CD1 4.31Å; A207-I233 HydrophobicContact CB-CG1 4.43Å; A207-I233 HydrophobicContact CB-CG2 3.7Å; I227-I233 HydrophobicContact CG1-CG2 4.14Å; N230-I233 HydrophobicContact CB-CB 4.28Å; N230-I233 HydrophobicContact CB-CG1 3.67Å; N230-I233 WeakPolarHBondContact O-CB 3.31Å; N230-I233 WeakPolarHBondContact O-CG1 3.34Å; N230-I233 PolarHBondContact O-N 3.26Å; P231-I233 VanDerWaalsContact C-N 3.29Å; I233-S235 WeakPolarHBondContact CG2-O 3.49Å
234	T	97	Very high	86.4	Confident	48 Å²	48	46.7 Å²	46.7	29%	0.294	26%	0.261	S	S	.	.			trans	-119.4	-7.9	175.2	67.8	0	0	0	0	112.7	H205 G257 E258	H205-T234 PolarHBondContact CD2-OG1 3.41Å; H205-T234 PolarHBondContact O-N 3.1Å; T234-G257 VanDerWaalsContact O-CA 3.31Å; T234-G257 WeakPolarHBondContact O-CA 3.31Å; T234-E258 PolarHBondContact O-N 3.15Å; T234-E258 PolarHBondContact OG1-OE2 3.02Å
235	S	96.9	Very high	84.6	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	131.9	176.9	-170.6	0	0	0	0	110.7	H205 I206 A207 I233 E258 M261	H205-S235 PolarHBondContact O-N 2.91Å; I206-S235 CarbonylContact C-O 3.55Å; I206-S235 WeakPolarHBondContact CA-O 3.4Å; A207-S235 PolarHBondContact N-O 2.88Å; I233-S235 WeakPolarHBondContact CG2-O 3.49Å; S235-E258 WeakPolarHBondContact CB-O 3.44Å; S235-E258 PolarHBondContact OG-O 3.05Å; S235-M261 WeakPolarHBondContact OG-CE 3.49Å
236	A	96.5	Very high	83.2	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.5	171	0	0	0	0	0	108.8	A207 L209 M226 I227 L255 S256	A207-A236 WeakPolarHBondContact O-CA 3.24Å; L209-A236 HydrophobicContact CD1-CB 4.22Å; M226-A236 HydrophobicContact CB-CB 4.34Å; I227-A236 HydrophobicContact CD1-CB 4.38Å; I227-A236 HydrophobicContact CG1-CB 4.2Å; A236-L255 HydrophobicContact CB-CB 4.42Å; A236-L255 WeakPolarHBondContact O-CA 3.24Å; A236-L255 WeakPolarHBondContact O-CB 3.29Å; A236-L255 PolarHBondContact O-N 3.04Å; A236-S256 PolarHBondContact N-O 3.4Å; A236-S256 PolarHBondContact O-N 3.42Å
237	V	95.1	Very high	82	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	149.2	-175.4	-56.8	0	0	0	0	111.2	I206 A207 H208 L209 M252 E253 V254 M261	I206-V237 HydrophobicContact CG2-CG1 4.06Å; I206-V237 HydrophobicContact CG2-CG2 3.64Å; A207-V237 PolarHBondContact O-N 3.17Å; H208-V237 HydrophobicContact CB-CG2 4.16Å; L209-V237 WeakPolarHBondContact CB-O 3.44Å; L209-V237 PolarHBondContact N-O 2.81Å; V237-M252 HydrophobicContact CB-CB 4.3Å; V237-M252 HydrophobicContact CB-SD 4.43Å; V237-M252 HydrophobicContact CG2-SD 3.76Å; V237-E253 CarbonylContact C-O 3.54Å; V237-E253 VanDerWaalsContact CA-O 3.24Å; V237-E253 WeakPolarHBondContact CA-O 3.47Å; V237-V254 HydrophobicContact CG1-CG2 4.23Å; V237-M261 HydrophobicContact CG1-CE 3.7Å; V237-M261 HydrophobicContact CG1-SD 3.97Å
238	N	91.8	Very high	80.6	Confident	7 Å²	7	59 Å²	59	4%	0.037	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	141.9	173.3	-178.1	44.5	0	0	0	110.5	L209 L211 M252 E253 L255	L209-N238 PolarHBondContact O-OD1 2.98Å; L211-N238 HydrophobicContact CD1-CB 4.47Å; L211-N238 HydrophobicContact CG-CB 4.4Å; L211-N238 PolarHBondContact N-OD1 3.14Å; N238-M252 VanDerWaalsContact O-CA 3.29Å; N238-M252 WeakPolarHBondContact O-CA 3.35Å; N238-E253 HydrophobicContact CB-CG 3.76Å; N238-E253 PolarHBondContact N-O 3.42Å; N238-E253 PolarHBondContact ND2-OE1 3.04Å; N238-E253 PolarHBondContact O-N 3.41Å; N238-L255 HydrophobicContact CB-CD1 3.95Å; N238-L255 HydrophobicContact CB-CD2 3.65Å; N238-L255 HydrophobicContact CB-CG 3.82Å
239	K	83.1	Confident	79.2	Confident	55 Å²	55	57.2 Å²	57.2	24%	0.239	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	127	172.2	-166.4	-173.2	-178.5	-172	0	110.6	L209 N210 F250	L209-K239 PolarHBondContact O-N 3.34Å; N210-K239 WeakPolarHBondContact OD1-CD 3.14Å; K239-F250 HydrophobicContact CD-CD1 4.24Å; K239-F250 HydrophobicContact CD-CE1 4.48Å; K239-F250 HydrophobicContact CD-CG 4.32Å; K239-F250 HydrophobicContact CG-CB 4.11Å; K239-F250 HydrophobicContact CG-CD1 4.25Å; K239-F250 HydrophobicContact CG-CG 4.09Å; K239-F250 VanDerWaalsContact NZ-CE1 3.26Å
240	I	77.7	Confident	77.8	Confident	67 Å²	67	57.7 Å²	57.7	34%	0.344	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	143.3	170.6	-49.6	175.5	0	0	0	108.6	N242 H251 E253	I240-N242 PolarHBondContact O-N 3.36Å; I240-H251 HydrophobicContact CB-CB 4.28Å; I240-H251 VanDerWaalsContact CB-O 3.29Å; I240-H251 WeakPolarHBondContact CB-O 3.34Å; I240-H251 HydrophobicContact CD1-CB 4.33Å; I240-H251 WeakPolarHBondContact CG1-O 3.44Å; I240-H251 PolarHBondContact N-O 3.16Å; I240-E253 HydrophobicContact CD1-CB 3.93Å; I240-E253 HydrophobicContact CD1-CG 4.28Å; I240-E253 HydrophobicContact CG1-CB 4.31Å; I240-E253 HydrophobicContact CG1-CG 4.13Å
241	N	60.4	Low	76.9	Confident	145 Å²	145	61.5 Å²	61.5	78%	0.775	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	-6.3	-172.3	-75.7	-25.3	0	0	0	115.5	I243	N241-I243 PolarHBondContact O-N 3.48Å
242	N	53.6	Low	76.4	Confident	117 Å²	117	57.9 Å²	57.9	63%	0.626	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	102.1	174.8	-73.2	-3.5	0	0	0	109.8	I240	I240-N242 PolarHBondContact O-N 3.36Å
243	I	54.8	Low	76.2	Confident	74 Å²	74	57.6 Å²	57.6	38%	0.379	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	126.9	166.5	-50.4	-177.8	0	0	0	106.8	N241 N245 F250	N241-I243 PolarHBondContact O-N 3.48Å; I243-N245 PolarHBondContact O-N 3.46Å; I243-F250 HydrophobicContact CD1-CE1 3.85Å; I243-F250 HydrophobicContact CG1-CD1 3.95Å; I243-F250 HydrophobicContact CG1-CE1 3.74Å; I243-F250 HydrophobicContact CG2-CD1 4.48Å; I243-F250 HydrophobicContact CG2-CE1 4.23Å
244	D	53.3	Low	76	Confident	67 Å²	67	59.5 Å²	59.5	36%	0.358	30%	0.299	S	S	.	.			trans	-66.6	104.2	159.8	-176.9	-13.9	0	0	0	107.4	M246 Y247 R248 N249	D244-M246 PolarHBondContact O-N 2.98Å; D244-M246 PolarHBondContact OD1-N 2.95Å; D244-Y247 PolarHBondContact O-N 2.77Å; D244-R248 WeakPolarHBondContact O-CA 3.49Å; D244-R248 PolarHBondContact O-N 3.42Å; D244-N249 PolarHBondContact N-O 3.2Å
245	N	59.9	Low	75.9	Confident	133 Å²	133	57.2 Å²	57.2	71%	0.711	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.2	-170.1	-83.2	-20.7	0	0	0	113.6	I243	I243-N245 PolarHBondContact O-N 3.46Å
246	M	66.9	Low	75.8	Confident	108 Å²	108	58.3 Å²	58.3	53%	0.532	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-54.9	-178.8	-173.5	171.3	52.3	0	0	111.9	D244 L328	D244-M246 PolarHBondContact O-N 2.98Å; D244-M246 PolarHBondContact OD1-N 2.95Å; M246-L328 HydrophobicContact CG-CD2 4.23Å
247	Y	68.9	Low	75.7	Confident	73 Å²	73	60.6 Å²	60.6	29%	0.286	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-4	-174.9	-57.8	-46.8	0	0	0	114.6	D244 N249 L328 N329	D244-Y247 PolarHBondContact O-N 2.77Å; Y247-N249 PolarHBondContact O-N 3.26Å; Y247-N249 VanDerWaalsContact O-N 3.12Å; Y247-N249 PolarHBondContact O-OD1 2.89Å; Y247-L328 HydrophobicContact CE1-CG 4.32Å; Y247-N329 HydrophobicContact CD1-CB 3.69Å; Y247-N329 HydrophobicContact CE1-CB 4.39Å; Y247-N329 HydrophobicContact CG-CB 4.14Å
248	R	67.1	Low	75.6	Confident	48 Å²	48	65.3 Å²	65.3	18%	0.181	34%	0.338	C	S	.	.			trans	56.7	22.4	-178.9	-60.4	-168.6	173.2	-179.9	5	114.8	D244 L388 A390	D244-R248 WeakPolarHBondContact O-CA 3.49Å; D244-R248 PolarHBondContact O-N 3.42Å; R248-L388 VanDerWaalsContact NH1-CD1 3.3Å; R248-L388 VanDerWaalsContact NH2-CD1 3.34Å; R248-L388 VanDerWaalsContact NH2-CG 3.26Å; R248-A390 VanDerWaalsContact NH2-CB 3.34Å
249	N	66.2	Low	75.7	Confident	19 Å²	19	73 Å²	73	10%	0.102	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-75.2	138	170.3	-61.2	-24.8	0	0	0	108.5	D244 Y247 K278 V279	D244-N249 PolarHBondContact N-O 3.2Å; Y247-N249 PolarHBondContact O-N 3.26Å; Y247-N249 VanDerWaalsContact O-N 3.12Å; Y247-N249 PolarHBondContact O-OD1 2.89Å; N249-K278 VanDerWaalsContact CG-O 3.29Å; N249-K278 VanDerWaalsContact ND2-C 3.25Å; N249-K278 PolarHBondContact ND2-O 3.09Å; N249-K278 PolarHBondContact OD1-O 3.26Å; N249-K278 VanDerWaalsContact OD1-O 3.1Å; N249-V279 VanDerWaalsContact OD1-C 3.32Å; N249-V279 WeakPolarHBondContact OD1-CA 3.36Å; N249-V279 PolarHBondContact OD1-N 2.83Å
250	F	65.1	Low	76.1	Confident	44 Å²	44	73.9 Å²	73.9	19%	0.193	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	130.8	174.9	-58.4	-61.6	0	0	0	108.9	K239 I243 M252 Y280	K239-F250 HydrophobicContact CD-CD1 4.24Å; K239-F250 HydrophobicContact CD-CE1 4.48Å; K239-F250 HydrophobicContact CD-CG 4.32Å; K239-F250 HydrophobicContact CG-CB 4.11Å; K239-F250 HydrophobicContact CG-CD1 4.25Å; K239-F250 HydrophobicContact CG-CG 4.09Å; K239-F250 VanDerWaalsContact NZ-CE1 3.26Å; I243-F250 HydrophobicContact CD1-CE1 3.85Å; I243-F250 HydrophobicContact CG1-CD1 3.95Å; I243-F250 HydrophobicContact CG1-CE1 3.74Å; I243-F250 HydrophobicContact CG2-CD1 4.48Å; I243-F250 HydrophobicContact CG2-CE1 4.23Å; F250-M252 HydrophobicContact CB-CG 4.49Å; F250-M252 PolarHBondContact O-N 3.13Å; F250-Y280 AromaticContact CE2-CD2 3.97Å; F250-Y280 HydrophobicContact CE2-CD2 3.97Å; F250-Y280 HydrophobicContact CE2-CE2 4.02Å; F250-Y280 HydrophobicContact CZ-CD2 4.38Å; F250-Y280 HydrophobicContact CZ-CE2 4.27Å
251	H	74.4	Confident	76.9	Confident	117 Å²	117	71.7 Å²	71.7	54%	0.542	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	124.7	160.6	-74.5	-73.4	0	0	0	108	I240	I240-H251 HydrophobicContact CB-CB 4.28Å; I240-H251 VanDerWaalsContact CB-O 3.29Å; I240-H251 WeakPolarHBondContact CB-O 3.34Å; I240-H251 HydrophobicContact CD1-CB 4.33Å; I240-H251 WeakPolarHBondContact CG1-O 3.44Å; I240-H251 PolarHBondContact N-O 3.16Å
252	M	83.8	Confident	78.7	Confident	38 Å²	38	68.9 Å²	68.9	19%	0.187	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.5	178.6	-68.9	-179.5	-72.9	0	0	108.7	V237 N238 F250 M261 F276	V237-M252 HydrophobicContact CB-CB 4.3Å; V237-M252 HydrophobicContact CB-SD 4.43Å; V237-M252 HydrophobicContact CG2-SD 3.76Å; N238-M252 VanDerWaalsContact O-CA 3.29Å; N238-M252 WeakPolarHBondContact O-CA 3.35Å; F250-M252 HydrophobicContact CB-CG 4.49Å; F250-M252 PolarHBondContact O-N 3.13Å; M252-M261 HydrophobicContact CE-SD 4.36Å; M252-F276 HydrophobicContact CE-CD1 3.65Å; M252-F276 HydrophobicContact CE-CE1 4.04Å; M252-F276 HydrophobicContact CE-CG 4.18Å; M252-F276 VanDerWaalsContact CE-O 3.31Å; M252-F276 WeakPolarHBondContact CE-O 3.3Å; M252-F276 HydrophobicContact SD-CD1 3.65Å; M252-F276 HydrophobicContact SD-CE1 3.44Å; M252-F276 WeakPolarHBondContact SD-CE1 3.29Å; M252-F276 HydrophobicContact SD-CZ 4.3Å
253	E	90.2	Very high	80.7	Confident	43 Å²	43	63.6 Å²	63.6	20%	0.201	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	137.3	163.6	57.2	176.1	172.2	0	0	108.9	K219 V237 N238 I240 L255	K219-E253 IonicContact NZ-OE1 2.84Å; K219-E253 IonicContact NZ-OE2 3.23Å; K219-E253 PolarHBondContact NZ-OE2 2.88Å; V237-E253 CarbonylContact C-O 3.54Å; V237-E253 VanDerWaalsContact CA-O 3.24Å; V237-E253 WeakPolarHBondContact CA-O 3.47Å; N238-E253 HydrophobicContact CB-CG 3.76Å; N238-E253 PolarHBondContact N-O 3.42Å; N238-E253 PolarHBondContact ND2-OE1 3.04Å; N238-E253 PolarHBondContact O-N 3.41Å; I240-E253 HydrophobicContact CD1-CB 3.93Å; I240-E253 HydrophobicContact CD1-CG 4.28Å; I240-E253 HydrophobicContact CG1-CB 4.31Å; I240-E253 HydrophobicContact CG1-CG 4.13Å; E253-L255 HydrophobicContact CG-CD2 4.07Å; E253-L255 PolarHBondContact O-N 2.87Å
254	V	93.6	Very high	82.8	Confident	47 Å²	47	65.5 Å²	65.5	29%	0.285	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	118.5	169.2	-178.7	0	0	0	0	107.7	V237 Q259 M261	V237-V254 HydrophobicContact CG1-CG2 4.23Å; V254-Q259 HydrophobicContact CG2-CG 4.29Å; V254-M261 HydrophobicContact CG2-CE 3.82Å
255	L	94.3	Very high	84.9	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-35.8	176.7	-61.6	-174.2	0	0	0	112.1	L209 L211 K219 Q220 A236 N238 E253	L209-L255 HydrophobicContact CD1-CD1 3.53Å; L211-L255 HydrophobicContact CD1-CD1 3.77Å; L211-L255 HydrophobicContact CD1-CD2 4.15Å; L211-L255 HydrophobicContact CG-CD1 4.33Å; K219-L255 HydrophobicContact CB-CD2 3.81Å; K219-L255 HydrophobicContact CD-CD2 4.2Å; K219-L255 HydrophobicContact CG-CD2 4.13Å; Q220-L255 PolarHBondContact NE2-O 3.35Å; Q220-L255 PolarHBondContact OE1-O 2.61Å; A236-L255 HydrophobicContact CB-CB 4.42Å; A236-L255 WeakPolarHBondContact O-CA 3.24Å; A236-L255 WeakPolarHBondContact O-CB 3.29Å; A236-L255 PolarHBondContact O-N 3.04Å; N238-L255 HydrophobicContact CB-CD1 3.95Å; N238-L255 HydrophobicContact CB-CD2 3.65Å; N238-L255 HydrophobicContact CB-CG 3.82Å; E253-L255 HydrophobicContact CG-CD2 4.07Å; E253-L255 PolarHBondContact O-N 2.87Å
256	S	95.7	Very high	86.6	Confident	23 Å²	23	65.1 Å²	65.1	16%	0.161	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	159.6	178.8	-171.8	0	0	0	0	110	Q224 I227 A236	Q224-S256 VanDerWaalsContact CG-OG 3.3Å; Q224-S256 WeakPolarHBondContact CG-OG 3.4Å; I227-S256 VanDerWaalsContact CD1-C 3.47Å; I227-S256 WeakPolarHBondContact CD1-O 3.37Å; A236-S256 PolarHBondContact N-O 3.4Å; A236-S256 PolarHBondContact O-N 3.42Å
257	G	94.8	Very high	88	Confident	47 Å²	47	60.6 Å²	60.6	49%	0.485	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	82.1	-154.6	175.5	0	0	0	0	0	114.3	I227 T234	I227-G257 VanDerWaalsContact CD1-CA 3.49Å; T234-G257 VanDerWaalsContact O-CA 3.31Å; T234-G257 WeakPolarHBondContact O-CA 3.31Å
258	E	92.9	Very high	89.1	Confident	100 Å²	100	59.8 Å²	59.8	47%	0.467	29%	0.293	S	S	.	.			trans	-72.7	146.2	-173.6	-63.4	171	173.7	0	0	112	T234 S235 N260	T234-E258 PolarHBondContact O-N 3.15Å; T234-E258 PolarHBondContact OG1-OE2 3.02Å; S235-E258 WeakPolarHBondContact CB-O 3.44Å; S235-E258 PolarHBondContact OG-O 3.05Å; E258-N260 HydrophobicContact CB-CB 4.44Å; E258-N260 PolarHBondContact O-N 3.32Å
259	Q	92.6	Very high	90.5	Very high	169 Å²	169	65.4 Å²	65.4	79%	0.79	32%	0.319	S	S	*	.			trans	-82.1	5.7	173.4	-64.4	-175.8	-14	0	0	113.3	V254 M261	V254-Q259 HydrophobicContact CG2-CG 4.29Å; Q259-M261 PolarHBondContact O-N 3.47Å
260	N	92.8	Very high	92	Very high	73 Å²	73	66.7 Å²	66.7	39%	0.39	32%	0.323	S	S	.	.			trans	-75.8	107.8	-177.4	179.8	22	0	0	0	112	H205 E258 M262	H205-N260 PolarHBondContact NE2-O 2.85Å; E258-N260 HydrophobicContact CB-CB 4.44Å; E258-N260 PolarHBondContact O-N 3.32Å; N260-M262 VanDerWaalsContact OD1-CB 3.22Å; N260-M262 WeakPolarHBondContact OD1-CB 3.34Å; N260-M262 PolarHBondContact OD1-N 2.84Å
261	M	94.5	Very high	93.6	Very high	20 Å²	20	65.9 Å²	65.9	10%	0.099	32%	0.321	C	S	.	.			trans	-92.8	-1.3	177.7	-60.6	-60.6	123.9	0	0	113.6	I206 S235 V237 M252 V254 Q259 T263 D275 F276	I206-M261 HydrophobicContact CD1-SD 4.05Å; S235-M261 WeakPolarHBondContact OG-CE 3.49Å; V237-M261 HydrophobicContact CG1-CE 3.7Å; V237-M261 HydrophobicContact CG1-SD 3.97Å; M252-M261 HydrophobicContact CE-SD 4.36Å; V254-M261 HydrophobicContact CG2-CE 3.82Å; Q259-M261 PolarHBondContact O-N 3.47Å; M261-T263 PolarHBondContact O-N 3.33Å; M261-D275 VanDerWaalsContact CB-OD1 3.29Å; M261-D275 WeakPolarHBondContact CB-OD1 3.41Å; M261-F276 PolarHBondContact O-N 3.42Å
262	M	96.8	Very high	94.7	Very high	87 Å²	87	60.3 Å²	60.3	43%	0.429	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	110.3	175.4	-60.5	-66.6	-63.3	0	0	109.7	H205 N260 D275 W335	H205-M262 PolarHBondContact CE1-O 2.85Å; N260-M262 VanDerWaalsContact OD1-CB 3.22Å; N260-M262 WeakPolarHBondContact OD1-CB 3.34Å; N260-M262 PolarHBondContact OD1-N 2.84Å; M262-D275 HydrophobicContact SD-CB 3.61Å; M262-W335 HydrophobicContact CE-CH2 3.21Å; M262-W335 HydrophobicContact CE-CZ2 3.35Å; M262-W335 HydrophobicContact CE-CZ3 4.43Å; M262-W335 HydrophobicContact SD-CH2 4.39Å; M262-W335 HydrophobicContact SD-CZ2 3.97Å
263	T	96.5	Very high	95.4	Very high	6 Å²	6	60.7 Å²	60.7	4%	0.037	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	154.3	-171.3	-170	0	0	0	0	112	V203 G204 I206 M261 V265 E273 F274 F276	V203-T263 HydrophobicContact CG1-CG2 3.74Å; V203-T263 PolarHBondContact O-OG1 2.89Å; G204-T263 WeakPolarHBondContact CA-OG1 3.38Å; I206-T263 HydrophobicContact CD1-CG2 4.45Å; M261-T263 PolarHBondContact O-N 3.33Å; T263-V265 HydrophobicContact CG2-CG1 4.47Å; T263-E273 VanDerWaalsContact O-CA 3.3Å; T263-E273 WeakPolarHBondContact O-CA 3.23Å; T263-F274 HydrophobicContact CG2-CD2 3.75Å; T263-F274 HydrophobicContact CG2-CE2 3.39Å; T263-F274 HydrophobicContact CG2-CZ 3.91Å; T263-F274 PolarHBondContact N-O 3.24Å; T263-F274 PolarHBondContact O-N 2.94Å; T263-F274 VanDerWaalsContact O-N 3.1Å; T263-F276 HydrophobicContact CG2-CB 4.17Å
264	K	97.8	Very high	95.8	Very high	113 Å²	113	58.7 Å²	58.7	49%	0.491	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	121.5	173.5	-174.9	173.8	-166.4	145.7	0	108.7	T271 Y272 E273	K264-T271 HydrophobicContact CD-CG2 4.12Å; K264-T271 HydrophobicContact CG-CG2 3.74Å; K264-Y272 CarbonylContact C-O 3.56Å; K264-Y272 WeakPolarHBondContact CA-O 3.47Å; K264-E273 HydrophobicContact CB-CG 3.91Å; K264-E273 HydrophobicContact CD-CG 4.1Å; K264-E273 VanDerWaalsContact CD-OE1 3.24Å; K264-E273 WeakPolarHBondContact CD-OE1 3.4Å; K264-E273 WeakPolarHBondContact CE-OE1 3.48Å; K264-E273 HydrophobicContact CG-CG 3.71Å; K264-E273 IonicContact NZ-OE1 2.98Å; K264-E273 PolarHBondContact NZ-OE1 3.21Å
265	V	97.6	Very high	95.9	Very high	15 Å²	15	57.8 Å²	57.8	9%	0.091	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	153.6	-179.1	-58.3	0	0	0	0	110.9	V203 T263 T271 Y272 F274 W281	V203-V265 HydrophobicContact CG1-CG1 3.77Å; T263-V265 HydrophobicContact CG2-CG1 4.47Å; V265-T271 CarbonylContact O-C 3.58Å; V265-T271 WeakPolarHBondContact O-CA 3.49Å; V265-Y272 HydrophobicContact CG2-CD2 4.34Å; V265-Y272 PolarHBondContact N-O 2.97Å; V265-Y272 PolarHBondContact O-N 2.87Å; V265-F274 HydrophobicContact CG1-CZ 4.31Å; V265-F274 HydrophobicContact CG2-CE1 3.64Å; V265-F274 HydrophobicContact CG2-CZ 3.89Å; V265-W281 HydrophobicContact CG2-CH2 4.18Å; V265-W281 HydrophobicContact CG2-CZ2 3.61Å
266	R	96.9	Very high	95.9	Very high	178 Å²	178	58.3 Å²	58.3	67%	0.672	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.8	120	172.9	-170.7	-178.6	177.4	94.1	-0.1	108.8	K269 Y270	R266-K269 PolarHBondContact NH2-O 3.4Å; R266-Y270 CarbonylContact C-O 3.54Å; R266-Y270 VanDerWaalsContact CA-O 3.24Å; R266-Y270 WeakPolarHBondContact CA-O 3.43Å; R266-Y270 WeakPolarHBondContact CG-O 3.33Å
267	E	96.6	Very high	95.7	Very high	13 Å²	13	59.1 Å²	59.1	6%	0.061	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132.3	176.3	-171.4	-170.5	90.1	0	0	109	K269 Y270 Y272 W281 S286 H289	E267-K269 PolarHBondContact O-N 3.36Å; E267-Y270 PolarHBondContact N-O 3.44Å; E267-Y270 PolarHBondContact O-N 3.5Å; E267-Y272 HydrophobicContact CB-CD2 4.37Å; E267-Y272 HydrophobicContact CB-CE2 3.93Å; E267-W281 HydrophobicContact CB-CH2 4.27Å; E267-W281 HydrophobicContact CB-CZ2 4.19Å; E267-S286 WeakPolarHBondContact OE2-CB 3.19Å; E267-H289 IonicContact OE1-CE1 3.71Å; E267-H289 IonicContact OE1-CG 3.58Å; E267-H289 IonicContact OE1-ND1 3.53Å; E267-H289 PolarHBondContact OE1-ND1 3.46Å; E267-H289 IonicContact OE2-CE1 2.61Å; E267-H289 IonicContact OE2-ND1 3.04Å; E267-H289 PolarHBondContact OE2-ND1 2.76Å
268	N	91.3	Very high	95.6	Very high	55 Å²	55	61.6 Å²	61.6	29%	0.294	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	36.8	175	-62.1	-31.7	0	0	0	114.7	Y270 S286 S290	N268-Y270 VanDerWaalsContact C-N 3.3Å; N268-Y270 HydrophobicContact CB-CD2 4.42Å; N268-Y270 WeakPolarHBondContact O-CD2 3.32Å; N268-Y270 WeakPolarHBondContact O-CE2 3.46Å; N268-Y270 PolarHBondContact O-N 2.74Å; N268-S286 PolarHBondContact ND2-O 2.69Å; N268-S290 PolarHBondContact ND2-OG 2.88Å; N268-S290 PolarHBondContact OD1-OG 3.3Å
269	K	95.6	Very high	95.6	Very high	166 Å²	166	57 Å²	57	72%	0.722	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	-10	-177.1	-48.9	160.9	-176.9	169.8	0	115.7	R266 E267	R266-K269 PolarHBondContact NH2-O 3.4Å; E267-K269 PolarHBondContact O-N 3.36Å
270	Y	98.1	Very high	95.6	Very high	47 Å²	47	52.8 Å²	52.8	18%	0.184	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	153.8	178.3	-52.6	-68.8	0	0	0	110.8	R266 E267 N268 I314 P315 K318	R266-Y270 CarbonylContact C-O 3.54Å; R266-Y270 VanDerWaalsContact CA-O 3.24Å; R266-Y270 WeakPolarHBondContact CA-O 3.43Å; R266-Y270 WeakPolarHBondContact CG-O 3.33Å; E267-Y270 PolarHBondContact N-O 3.44Å; E267-Y270 PolarHBondContact O-N 3.5Å; N268-Y270 VanDerWaalsContact C-N 3.3Å; N268-Y270 HydrophobicContact CB-CD2 4.42Å; N268-Y270 WeakPolarHBondContact O-CD2 3.32Å; N268-Y270 WeakPolarHBondContact O-CE2 3.46Å; N268-Y270 PolarHBondContact O-N 2.74Å; Y270-I314 HydrophobicContact CD1-CG2 4.1Å; Y270-I314 HydrophobicContact CG-CG2 4.17Å; Y270-P315 HydrophobicContact CD2-CB 4.06Å; Y270-P315 HydrophobicContact CD2-CG 3.59Å; Y270-P315 HydrophobicContact CE2-CB 3.51Å; Y270-P315 HydrophobicContact CE2-CG 3.6Å; Y270-P315 HydrophobicContact CG-CG 4.45Å; Y270-K318 HydrophobicContact CD1-CG 4.35Å; Y270-K318 HydrophobicContact CE1-CB 4Å; Y270-K318 HydrophobicContact CE1-CG 3.61Å
271	T	98.3	Very high	95.6	Very high	26 Å²	26	50.2 Å²	50.2	16%	0.16	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134	-176.6	-52.1	0	0	0	0	109.2	K264 V265 L342 N343	K264-T271 HydrophobicContact CD-CG2 4.12Å; K264-T271 HydrophobicContact CG-CG2 3.74Å; V265-T271 CarbonylContact O-C 3.58Å; V265-T271 WeakPolarHBondContact O-CA 3.49Å; T271-L342 HydrophobicContact CG2-CD2 4.13Å; T271-L342 WeakPolarHBondContact O-CD2 3.27Å; T271-N343 PolarHBondContact N-OD1 2.83Å; T271-N343 VanDerWaalsContact N-OD1 3.15Å; T271-N343 PolarHBondContact O-ND2 2.82Å
272	Y	98.6	Very high	95.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.9	-178.6	-53.2	-94.3	0	0	0	108.3	K264 V265 E267 W281 V309 I314 N339	K264-Y272 CarbonylContact C-O 3.56Å; K264-Y272 WeakPolarHBondContact CA-O 3.47Å; V265-Y272 HydrophobicContact CG2-CD2 4.34Å; V265-Y272 PolarHBondContact N-O 2.97Å; V265-Y272 PolarHBondContact O-N 2.87Å; E267-Y272 HydrophobicContact CB-CD2 4.37Å; E267-Y272 HydrophobicContact CB-CE2 3.93Å; Y272-W281 HydrophobicContact CD1-CZ3 4.41Å; Y272-W281 AromaticContact CD2-CH2 3.75Å; Y272-W281 HydrophobicContact CD2-CH2 3.75Å; Y272-W281 HydrophobicContact CD2-CZ3 4.4Å; Y272-W281 HydrophobicContact CE2-CH2 4.08Å; Y272-W281 AromaticContact CG-CH2 4Å; Y272-W281 HydrophobicContact CG-CH2 4Å; Y272-W281 HydrophobicContact CG-CZ3 4.2Å; Y272-V309 HydrophobicContact CD1-CG2 4.37Å; Y272-I314 HydrophobicContact CD1-CD1 4.07Å; Y272-I314 HydrophobicContact CE1-CB 4.33Å; Y272-I314 HydrophobicContact CE1-CD1 3.69Å; Y272-N339 HydrophobicContact CD1-CB 4.41Å
273	E	98.5	Very high	95.4	Very high	47 Å²	47	48 Å²	48	22%	0.22	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138.7	170.9	-70.9	174.9	-174.8	0	0	108.5	T263 K264 W335 H338 N339 L342	T263-E273 VanDerWaalsContact O-CA 3.3Å; T263-E273 WeakPolarHBondContact O-CA 3.23Å; K264-E273 HydrophobicContact CB-CG 3.91Å; K264-E273 HydrophobicContact CD-CG 4.1Å; K264-E273 VanDerWaalsContact CD-OE1 3.24Å; K264-E273 WeakPolarHBondContact CD-OE1 3.4Å; K264-E273 WeakPolarHBondContact CE-OE1 3.48Å; K264-E273 HydrophobicContact CG-CG 3.71Å; K264-E273 IonicContact NZ-OE1 2.98Å; K264-E273 PolarHBondContact NZ-OE1 3.21Å; E273-W335 HydrophobicContact CB-CZ3 4.19Å; E273-H338 IonicContact OE2-CD2 3.98Å; E273-H338 IonicContact OE2-CE1 3.46Å; E273-H338 IonicContact OE2-NE2 2.69Å; E273-H338 PolarHBondContact OE2-NE2 3.3Å; E273-N339 PolarHBondContact N-OD1 3.18Å; E273-N339 PolarHBondContact O-ND2 3.48Å; E273-N339 PolarHBondContact O-OD1 2.93Å; E273-L342 HydrophobicContact CB-CD2 4.42Å; E273-L342 HydrophobicContact CG-CD2 3.95Å
274	F	97.9	Very high	95.2	Very high	0 Å²	0	54 Å²	54	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	161.9	176.5	48.5	-95.3	0	0	0	112.6	V203 T263 V265 F276 V279 W281 V309 W335	V203-F274 HydrophobicContact CG1-CE2 3.9Å; V203-F274 HydrophobicContact CG1-CZ 3.93Å; T263-F274 HydrophobicContact CG2-CD2 3.75Å; T263-F274 HydrophobicContact CG2-CE2 3.39Å; T263-F274 HydrophobicContact CG2-CZ 3.91Å; T263-F274 PolarHBondContact N-O 3.24Å; T263-F274 PolarHBondContact O-N 2.94Å; T263-F274 VanDerWaalsContact O-N 3.1Å; V265-F274 HydrophobicContact CG1-CZ 4.31Å; V265-F274 HydrophobicContact CG2-CE1 3.64Å; V265-F274 HydrophobicContact CG2-CZ 3.89Å; F274-F276 HydrophobicContact CD2-CB 4.33Å; F274-F276 HydrophobicContact CE2-CB 4.2Å; F274-F276 AromaticContact CE2-CD2 3.97Å; F274-F276 HydrophobicContact CE2-CD2 3.97Å; F274-F276 HydrophobicContact CE2-CG 4.49Å; F274-V279 HydrophobicContact CB-CG2 3.79Å; F274-V279 HydrophobicContact CD2-CG2 3.57Å; F274-V279 HydrophobicContact CE2-CG2 4.36Å; F274-V279 HydrophobicContact CG-CG2 3.79Å; F274-W281 AromaticContact CE1-CD2 3.76Å; F274-W281 HydrophobicContact CE1-CD2 3.76Å; F274-W281 AromaticContact CE1-CE3 3.79Å; F274-W281 HydrophobicContact CE1-CE3 3.79Å; F274-W281 HydrophobicContact CE1-CG 4.1Å; F274-W281 HydrophobicContact CE1-CZ3 4.28Å; F274-W281 HydrophobicContact CE2-CB 3.82Å; F274-W281 HydrophobicContact CE2-CD2 4.49Å; F274-W281 AromaticContact CE2-CG 3.97Å; F274-W281 HydrophobicContact CE2-CG 3.97Å; F274-W281 HydrophobicContact CZ-CB 3.72Å; F274-W281 AromaticContact CZ-CD1 3.73Å; F274-W281 AromaticContact CZ-CD2 3.51Å; F274-W281 HydrophobicContact CZ-CD2 3.51Å; F274-W281 AromaticContact CZ-CE2 3.99Å; F274-W281 HydrophobicContact CZ-CE3 4.01Å; F274-W281 AromaticContact CZ-CG 3.37Å; F274-W281 HydrophobicContact CZ-CG 3.37Å; F274-V309 HydrophobicContact CB-CG1 4Å; F274-V309 HydrophobicContact CD1-CB 4.32Å; F274-V309 HydrophobicContact CD1-CG1 4.1Å; F274-V309 HydrophobicContact CD1-CG2 3.99Å; F274-V309 HydrophobicContact CE1-CG2 4.21Å; F274-V309 HydrophobicContact CG-CG1 4.17Å; F274-W335 VanDerWaalsContact CA-CD2 3.42Å; F274-W335 HydrophobicContact CB-CB 4.18Å; F274-W335 HydrophobicContact CB-CD2 3.89Å; F274-W335 HydrophobicContact CB-CE3 4.39Å; F274-W335 HydrophobicContact CB-CG 3.73Å
275	D	95.8	Very high	95.2	Very high	29 Å²	29	48.8 Å²	48.8	16%	0.155	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	108.3	163.3	-173.7	-22.9	0	0	0	109.1	M261 M262 S277 K278 V279 W335	M261-D275 VanDerWaalsContact CB-OD1 3.29Å; M261-D275 WeakPolarHBondContact CB-OD1 3.41Å; M262-D275 HydrophobicContact SD-CB 3.61Å; D275-S277 VanDerWaalsContact CG-OG 3.29Å; D275-S277 PolarHBondContact O-N 3.08Å; D275-S277 VanDerWaalsContact O-N 3.14Å; D275-S277 WeakPolarHBondContact OD1-CB 3.44Å; D275-S277 PolarHBondContact OD1-N 3.46Å; D275-S277 PolarHBondContact OD1-OG 3.07Å; D275-S277 PolarHBondContact OD2-OG 3.29Å; D275-K278 HydrophobicContact CB-CB 4.11Å; D275-K278 HydrophobicContact CB-CG 4Å; D275-K278 PolarHBondContact O-N 2.89Å; D275-K278 WeakPolarHBondContact OD2-CG 3.39Å; D275-V279 PolarHBondContact O-N 2.91Å; D275-W335 HydrophobicContact CB-CZ2 4.33Å
276	F	94	Very high	95.1	Very high	10 Å²	10	49.7 Å²	49.7	4%	0.044	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-18.4	-177.2	-172.9	-129.7	0	0	0	113.4	V203 I206 H208 M252 M261 T263 F274 K278 W281	V203-F276 HydrophobicContact CG1-CD2 4.1Å; V203-F276 HydrophobicContact CG1-CE2 4.38Å; V203-F276 HydrophobicContact CG1-CG 4.27Å; V203-F276 HydrophobicContact CG2-CE1 4.21Å; V203-F276 HydrophobicContact CG2-CE2 4.08Å; V203-F276 HydrophobicContact CG2-CZ 3.9Å; I206-F276 HydrophobicContact CD1-CB 4.02Å; I206-F276 HydrophobicContact CD1-CD1 4.18Å; I206-F276 HydrophobicContact CD1-CG 4.5Å; I206-F276 HydrophobicContact CG2-CD1 4.33Å; H208-F276 HydrophobicContact CB-CE1 4.1Å; H208-F276 HydrophobicContact CB-CZ 4.41Å; H208-F276 AromaticContact ND1-CZ 3.79Å; M252-F276 HydrophobicContact CE-CD1 3.65Å; M252-F276 HydrophobicContact CE-CE1 4.04Å; M252-F276 HydrophobicContact CE-CG 4.18Å; M252-F276 VanDerWaalsContact CE-O 3.31Å; M252-F276 WeakPolarHBondContact CE-O 3.3Å; M252-F276 HydrophobicContact SD-CD1 3.65Å; M252-F276 HydrophobicContact SD-CE1 3.44Å; M252-F276 WeakPolarHBondContact SD-CE1 3.29Å; M252-F276 HydrophobicContact SD-CZ 4.3Å; M261-F276 PolarHBondContact O-N 3.42Å; T263-F276 HydrophobicContact CG2-CB 4.17Å; F274-F276 HydrophobicContact CD2-CB 4.33Å; F274-F276 HydrophobicContact CE2-CB 4.2Å; F274-F276 AromaticContact CE2-CD2 3.97Å; F274-F276 HydrophobicContact CE2-CD2 3.97Å; F274-F276 HydrophobicContact CE2-CG 4.49Å; F276-K278 VanDerWaalsContact C-N 3.32Å; F276-W281 HydrophobicContact CD2-CB 4.17Å; F276-W281 HydrophobicContact CE2-CB 4.05Å
277	S	91.4	Very high	95.1	Very high	40 Å²	40	46.1 Å²	46.1	28%	0.28	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-14	174.1	75	0	0	0	0	114	D275	D275-S277 VanDerWaalsContact CG-OG 3.29Å; D275-S277 PolarHBondContact O-N 3.08Å; D275-S277 VanDerWaalsContact O-N 3.14Å; D275-S277 WeakPolarHBondContact OD1-CB 3.44Å; D275-S277 PolarHBondContact OD1-N 3.46Å; D275-S277 PolarHBondContact OD1-OG 3.07Å; D275-S277 PolarHBondContact OD2-OG 3.29Å
278	K	92.8	Very high	95.2	Very high	99 Å²	99	45.8 Å²	45.8	43%	0.43	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	-6.3	-172.2	-59.5	-61.5	-178.3	179.1	0	114.3	N249 D275 F276 N329 E331	N249-K278 VanDerWaalsContact CG-O 3.29Å; N249-K278 VanDerWaalsContact ND2-C 3.25Å; N249-K278 PolarHBondContact ND2-O 3.09Å; N249-K278 PolarHBondContact OD1-O 3.26Å; N249-K278 VanDerWaalsContact OD1-O 3.1Å; D275-K278 HydrophobicContact CB-CB 4.11Å; D275-K278 HydrophobicContact CB-CG 4Å; D275-K278 PolarHBondContact O-N 2.89Å; D275-K278 WeakPolarHBondContact OD2-CG 3.39Å; F276-K278 VanDerWaalsContact C-N 3.32Å; K278-N329 PolarHBondContact O-ND2 3.18Å; K278-E331 HydrophobicContact CB-CB 3.89Å; K278-E331 HydrophobicContact CB-CG 3.93Å; K278-E331 HydrophobicContact CG-CG 4.38Å
279	V	93.5	Very high	95.5	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.024	21%	0.21	C	C	.	.	S	Bend	trans	-137.5	154.3	179.6	-53.7	0	0	0	0	111.6	N249 F274 D275 V309 E331	N249-V279 VanDerWaalsContact OD1-C 3.32Å; N249-V279 WeakPolarHBondContact OD1-CA 3.36Å; N249-V279 PolarHBondContact OD1-N 2.83Å; F274-V279 HydrophobicContact CB-CG2 3.79Å; F274-V279 HydrophobicContact CD2-CG2 3.57Å; F274-V279 HydrophobicContact CE2-CG2 4.36Å; F274-V279 HydrophobicContact CG-CG2 3.79Å; D275-V279 PolarHBondContact O-N 2.91Å; V279-V309 HydrophobicContact CB-CG1 4.07Å; V279-V309 HydrophobicContact CG1-CG1 4.13Å; V279-V309 HydrophobicContact CG2-CG1 3.8Å; V279-E331 HydrophobicContact CG1-CB 4.3Å
280	Y	92	Very high	95.6	Very high	81 Å²	81	36.7 Å²	36.7	32%	0.318	18%	0.184	S	C	.	.			trans	-80.7	124.5	169.5	177.7	-95.4	0	0	0	110.9	F250 N282	F250-Y280 AromaticContact CE2-CD2 3.97Å; F250-Y280 HydrophobicContact CE2-CD2 3.97Å; F250-Y280 HydrophobicContact CE2-CE2 4.02Å; F250-Y280 HydrophobicContact CZ-CD2 4.38Å; F250-Y280 HydrophobicContact CZ-CE2 4.27Å; Y280-N282 HydrophobicContact CE1-CB 4.22Å
281	W	94.2	Very high	95.6	Very high	19 Å²	19	37.5 Å²	37.5	7%	0.072	19%	0.186	C	C	.	.			trans	-138.7	134.3	170.8	-179.3	-96.3	0	0	0	110.7	V265 E267 Y272 F274 F276 V309 P311	V265-W281 HydrophobicContact CG2-CH2 4.18Å; V265-W281 HydrophobicContact CG2-CZ2 3.61Å; E267-W281 HydrophobicContact CB-CH2 4.27Å; E267-W281 HydrophobicContact CB-CZ2 4.19Å; Y272-W281 HydrophobicContact CD1-CZ3 4.41Å; Y272-W281 AromaticContact CD2-CH2 3.75Å; Y272-W281 HydrophobicContact CD2-CH2 3.75Å; Y272-W281 HydrophobicContact CD2-CZ3 4.4Å; Y272-W281 HydrophobicContact CE2-CH2 4.08Å; Y272-W281 AromaticContact CG-CH2 4Å; Y272-W281 HydrophobicContact CG-CH2 4Å; Y272-W281 HydrophobicContact CG-CZ3 4.2Å; F274-W281 AromaticContact CE1-CD2 3.76Å; F274-W281 HydrophobicContact CE1-CD2 3.76Å; F274-W281 AromaticContact CE1-CE3 3.79Å; F274-W281 HydrophobicContact CE1-CE3 3.79Å; F274-W281 HydrophobicContact CE1-CG 4.1Å; F274-W281 HydrophobicContact CE1-CZ3 4.28Å; F274-W281 HydrophobicContact CE2-CB 3.82Å; F274-W281 HydrophobicContact CE2-CD2 4.49Å; F274-W281 AromaticContact CE2-CG 3.97Å; F274-W281 HydrophobicContact CE2-CG 3.97Å; F274-W281 HydrophobicContact CZ-CB 3.72Å; F274-W281 AromaticContact CZ-CD1 3.73Å; F274-W281 AromaticContact CZ-CD2 3.51Å; F274-W281 HydrophobicContact CZ-CD2 3.51Å; F274-W281 AromaticContact CZ-CE2 3.99Å; F274-W281 HydrophobicContact CZ-CE3 4.01Å; F274-W281 AromaticContact CZ-CG 3.37Å; F274-W281 HydrophobicContact CZ-CG 3.37Å; F276-W281 HydrophobicContact CD2-CB 4.17Å; F276-W281 HydrophobicContact CE2-CB 4.05Å; W281-V309 HydrophobicContact CE3-CG2 3.41Å; W281-V309 VanDerWaalsContact CE3-CG2 3.41Å; W281-V309 HydrophobicContact CZ3-CG2 3.44Å; W281-V309 VanDerWaalsContact CZ3-CG2 3.44Å; W281-P311 HydrophobicContact CH2-CB 4.42Å; W281-P311 HydrophobicContact CZ3-CB 4.13Å; W281-P311 HydrophobicContact CZ3-CG 4.46Å
282	N	92.6	Very high	95.6	Very high	22 Å²	22	36.3 Å²	36.3	12%	0.118	18%	0.179	C	C	.	.			trans	-135	105	176.1	-175.7	-5.4	0	0	0	110.8	Y280 R284 L285	Y280-N282 HydrophobicContact CE1-CB 4.22Å; N282-R284 PolarHBondContact O-N 3.09Å; N282-R284 WeakPolarHBondContact OD1-CB 3.4Å; N282-R284 PolarHBondContact OD1-N 3.22Å; N282-L285 HydrophobicContact CB-CD1 4.19Å; N282-L285 HydrophobicContact CB-CG 4.32Å; N282-L285 PolarHBondContact O-N 2.93Å; N282-L285 VanDerWaalsContact O-N 3.15Å
283	P	93.1	Very high	95.6	Very high	38 Å²	38	36.7 Å²	36.7	25%	0.247	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-65.4	-14	-177.2	27.6	-35.1	0	0	0	113.4	L285 S286	P283-L285 PolarHBondContact O-N 2.99Å; P283-S286 PolarHBondContact O-N 2.85Å
284	R	93.2	Very high	95.5	Very high	132 Å²	132	40.9 Å²	40.9	50%	0.498	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-76.1	-7.2	178.1	-55.3	-177.5	-170.8	172.4	3.4	113.4	S201 N282	S201-R284 PolarHBondContact OG-NE 3.23Å; S201-R284 PolarHBondContact OG-NH2 3.22Å; N282-R284 PolarHBondContact O-N 3.09Å; N282-R284 WeakPolarHBondContact OD1-CB 3.4Å; N282-R284 PolarHBondContact OD1-N 3.22Å
285	L	96.4	Very high	95.5	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-91.5	1	177.3	-66.3	177.1	0	0	0	112.9	N282 P283 T287 E288 H289 V452 M461	N282-L285 HydrophobicContact CB-CD1 4.19Å; N282-L285 HydrophobicContact CB-CG 4.32Å; N282-L285 PolarHBondContact O-N 2.93Å; N282-L285 VanDerWaalsContact O-N 3.15Å; P283-L285 PolarHBondContact O-N 2.99Å; L285-T287 VanDerWaalsContact C-N 3.27Å; L285-T287 PolarHBondContact O-N 3.17Å; L285-E288 WeakPolarHBondContact O-CA 3.43Å; L285-E288 WeakPolarHBondContact O-CB 3.31Å; L285-E288 PolarHBondContact O-N 3.03Å; L285-H289 WeakPolarHBondContact CB-NE2 3.48Å; L285-H289 PolarHBondContact O-CD2 3.03Å; L285-H289 VanDerWaalsContact O-CG 3.24Å; L285-H289 PolarHBondContact O-N 3.29Å; L285-V452 HydrophobicContact CD2-CG1 3.88Å; L285-M461 HydrophobicContact CD1-CE 4.47Å; L285-M461 HydrophobicContact CD2-CE 3.92Å; L285-M461 HydrophobicContact CD2-SD 4.1Å
286	S	96.6	Very high	95.6	Very high	34 Å²	34	43.5 Å²	43.5	24%	0.238	22%	0.215	C	C	.	.	H	α-helix	trans	-56.5	-38.4	-174.8	69.2	0	0	0	0	113.8	E267 N268 P283 S290	E267-S286 WeakPolarHBondContact OE2-CB 3.19Å; N268-S286 PolarHBondContact ND2-O 2.69Å; P283-S286 PolarHBondContact O-N 2.85Å; S286-S290 PolarHBondContact O-N 2.83Å; S286-S290 VanDerWaalsContact O-N 3.08Å; S286-S290 PolarHBondContact O-OG 3.4Å
287	T	97	Very high	95.7	Very high	103 Å²	103	50.4 Å²	50.4	63%	0.632	25%	0.245	S	C	*	.	H	α-helix	trans	-68.8	-36.2	177.3	50.8	0	0	0	0	111.9	L285 S290 R291	L285-T287 VanDerWaalsContact C-N 3.27Å; L285-T287 PolarHBondContact O-N 3.17Å; T287-S290 PolarHBondContact O-N 3.3Å; T287-R291 WeakPolarHBondContact O-CB 3.49Å; T287-R291 PolarHBondContact O-N 3.2Å
288	E	98.1	Very high	96	Very high	6 Å²	6	52 Å²	52	3%	0.028	26%	0.26	C	S	.	.	H	α-helix	trans	-72.2	-39.4	177.3	-179.4	62.9	177.8	0	0	111.8	L285 S290 R291 I292 Y419 H450 V452	L285-E288 WeakPolarHBondContact O-CA 3.43Å; L285-E288 WeakPolarHBondContact O-CB 3.31Å; L285-E288 PolarHBondContact O-N 3.03Å; E288-S290 VanDerWaalsContact C-N 3.32Å; E288-S290 PolarHBondContact O-N 2.86Å; E288-R291 PolarHBondContact O-N 3.37Å; E288-R291 IonicContact OE1-CZ 2.71Å; E288-R291 IonicContact OE1-NE 2.85Å; E288-R291 PolarHBondContact OE1-NE 3.04Å; E288-R291 IonicContact OE1-NH2 3.22Å; E288-R291 PolarHBondContact OE1-NH2 3.02Å; E288-R291 IonicContact OE2-CZ 2.7Å; E288-R291 IonicContact OE2-NE 2.97Å; E288-R291 PolarHBondContact OE2-NE 3.34Å; E288-R291 IonicContact OE2-NH2 3.24Å; E288-I292 PolarHBondContact O-N 3.5Å; E288-Y419 HydrophobicContact CG-CE1 3.7Å; E288-Y419 VanDerWaalsContact CG-OH 3.31Å; E288-Y419 WeakPolarHBondContact CG-OH 3.32Å; E288-Y419 WeakPolarHBondContact OE1-CE1 3.2Å; E288-Y419 PolarHBondContact OE1-OH 3.01Å; E288-H450 IonicContact OE2-CD2 2.85Å; E288-H450 IonicContact OE2-NE2 3.99Å; E288-V452 HydrophobicContact CB-CG1 3.9Å; E288-V452 HydrophobicContact CG-CG1 3.76Å; E288-V452 HydrophobicContact CG-CG2 4.28Å
289	H	98.3	Very high	96	Very high	5 Å²	5	49.3 Å²	49.3	2%	0.023	26%	0.261	C	S	.	.	H	α-helix	trans	-56.3	-48.4	170.5	-57.9	160	0	0	0	110.5	E267 L285 T293 P311 F312	E267-H289 IonicContact OE1-CE1 3.71Å; E267-H289 IonicContact OE1-CG 3.58Å; E267-H289 IonicContact OE1-ND1 3.53Å; E267-H289 PolarHBondContact OE1-ND1 3.46Å; E267-H289 IonicContact OE2-CE1 2.61Å; E267-H289 IonicContact OE2-ND1 3.04Å; E267-H289 PolarHBondContact OE2-ND1 2.76Å; L285-H289 WeakPolarHBondContact CB-NE2 3.48Å; L285-H289 PolarHBondContact O-CD2 3.03Å; L285-H289 VanDerWaalsContact O-CG 3.24Å; L285-H289 PolarHBondContact O-N 3.29Å; H289-T293 WeakPolarHBondContact O-CB 3.33Å; H289-T293 WeakPolarHBondContact O-CG2 3.48Å; H289-T293 PolarHBondContact O-N 3.06Å; H289-T293 PolarHBondContact O-OG1 3.32Å; H289-P311 VanDerWaalsContact CE1-CB 3.46Å; H289-P311 WeakPolarHBondContact CE1-CB 3.09Å; H289-P311 WeakPolarHBondContact ND1-CB 3.36Å; H289-F312 HydrophobicContact CB-CE1 4.34Å; H289-F312 AromaticContact CD2-CE1 3.71Å; H289-F312 AromaticContact CD2-CE2 3.75Å; H289-F312 AromaticContact CD2-CZ 3.39Å; H289-F312 WeakPolarHBondContact CD2-CZ 3.48Å
290	S	97.5	Very high	96.2	Very high	24 Å²	24	50 Å²	50	17%	0.168	26%	0.264	C	S	.	.	H	α-helix	trans	-59.3	-48.9	174.5	-65.3	0	0	0	0	112	N268 S286 T287 E288 I292 T293 E294	N268-S290 PolarHBondContact ND2-OG 2.88Å; N268-S290 PolarHBondContact OD1-OG 3.3Å; S286-S290 PolarHBondContact O-N 2.83Å; S286-S290 VanDerWaalsContact O-N 3.08Å; S286-S290 PolarHBondContact O-OG 3.4Å; T287-S290 PolarHBondContact O-N 3.3Å; E288-S290 VanDerWaalsContact C-N 3.32Å; E288-S290 PolarHBondContact O-N 2.86Å; S290-I292 VanDerWaalsContact C-N 3.33Å; S290-I292 PolarHBondContact O-N 2.97Å; S290-T293 WeakPolarHBondContact CA-OG1 3.49Å; S290-T293 PolarHBondContact O-N 3.14Å; S290-T293 PolarHBondContact O-OG1 2.91Å; S290-T293 VanDerWaalsContact O-OG1 3.09Å; S290-E294 VanDerWaalsContact O-CB 3.24Å; S290-E294 WeakPolarHBondContact O-CB 3.31Å; S290-E294 WeakPolarHBondContact O-CG 3.46Å; S290-E294 PolarHBondContact O-N 3.24Å
291	R	98.2	Very high	96.4	Very high	64 Å²	64	46.2 Å²	46.2	24%	0.242	25%	0.25	C	C	.	.	H	α-helix	trans	-54.1	-47.6	-177.5	-170.6	-171	69	80.1	-5.1	112.4	T287 E288 L295 H450	T287-R291 WeakPolarHBondContact O-CB 3.49Å; T287-R291 PolarHBondContact O-N 3.2Å; E288-R291 PolarHBondContact O-N 3.37Å; E288-R291 IonicContact OE1-CZ 2.71Å; E288-R291 IonicContact OE1-NE 2.85Å; E288-R291 PolarHBondContact OE1-NE 3.04Å; E288-R291 IonicContact OE1-NH2 3.22Å; E288-R291 PolarHBondContact OE1-NH2 3.02Å; E288-R291 IonicContact OE2-CZ 2.7Å; E288-R291 IonicContact OE2-NE 2.97Å; E288-R291 PolarHBondContact OE2-NE 3.34Å; E288-R291 IonicContact OE2-NH2 3.24Å; R291-L295 WeakPolarHBondContact O-CG 2.99Å; R291-H450 PolarHBondContact NE-CD2 3.27Å; R291-H450 VanDerWaalsContact NE-CD2 3.31Å
292	I	98.3	Very high	96.6	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-70.6	-50.1	178.3	-65.4	-59.3	0	0	0	110.9	E288 S290 E294 L295 L296 F312 V385 H417 Y419	E288-I292 PolarHBondContact O-N 3.5Å; S290-I292 VanDerWaalsContact C-N 3.33Å; S290-I292 PolarHBondContact O-N 2.97Å; I292-E294 PolarHBondContact O-N 3.26Å; I292-E294 VanDerWaalsContact O-N 3.17Å; I292-L295 HydrophobicContact CD1-CD1 4.35Å; I292-L295 WeakPolarHBondContact O-CB 3.37Å; I292-L295 PolarHBondContact O-N 3.39Å; I292-L296 WeakPolarHBondContact O-CD1 3.34Å; I292-F312 HydrophobicContact CB-CD1 4.03Å; I292-F312 HydrophobicContact CB-CE1 3.77Å; I292-F312 HydrophobicContact CG1-CE1 3.95Å; I292-F312 HydrophobicContact CG2-CD1 4.01Å; I292-F312 HydrophobicContact CG2-CE1 4.1Å; I292-V385 HydrophobicContact CG2-CG2 3.7Å; I292-H417 HydrophobicContact CD1-CB 4.14Å; I292-Y419 WeakPolarHBondContact CG1-OH 3.18Å
293	T	98.1	Very high	96.9	Very high	9 Å²	9	44.3 Å²	44.3	6%	0.055	24%	0.241	C	C	.	.	H	α-helix	trans	-62.2	-28.9	-175.2	63.7	0	0	0	0	111.6	H289 S290 L295 L296 F312 P315 V316 K319	H289-T293 WeakPolarHBondContact O-CB 3.33Å; H289-T293 WeakPolarHBondContact O-CG2 3.48Å; H289-T293 PolarHBondContact O-N 3.06Å; H289-T293 PolarHBondContact O-OG1 3.32Å; S290-T293 WeakPolarHBondContact CA-OG1 3.49Å; S290-T293 PolarHBondContact O-N 3.14Å; S290-T293 PolarHBondContact O-OG1 2.91Å; S290-T293 VanDerWaalsContact O-OG1 3.09Å; T293-L295 VanDerWaalsContact C-N 3.33Å; T293-L295 PolarHBondContact O-N 2.89Å; T293-L296 PolarHBondContact O-N 2.77Å; T293-F312 HydrophobicContact CG2-CB 4.45Å; T293-F312 HydrophobicContact CG2-CD1 4.1Å; T293-P315 HydrophobicContact CG2-CB 3.88Å; T293-P315 HydrophobicContact CG2-CG 4.29Å; T293-V316 HydrophobicContact CG2-CG2 3.87Å; T293-K319 PolarHBondContact O-NZ 2.85Å
294	E	97.5	Very high	97.2	Very high	134 Å²	134	42.5 Å²	42.5	63%	0.626	23%	0.229	S	C	*	.	H	α-helix	trans	-67.4	-23.3	175.1	-77.7	172.8	-172	0	0	114.9	S290 I292 L296	S290-E294 VanDerWaalsContact O-CB 3.24Å; S290-E294 WeakPolarHBondContact O-CB 3.31Å; S290-E294 WeakPolarHBondContact O-CG 3.46Å; S290-E294 PolarHBondContact O-N 3.24Å; I292-E294 PolarHBondContact O-N 3.26Å; I292-E294 VanDerWaalsContact O-N 3.17Å; E294-L296 VanDerWaalsContact C-N 3.28Å; E294-L296 PolarHBondContact O-N 3.27Å
295	L	97.4	Very high	97.5	Very high	81 Å²	81	36.2 Å²	36.2	42%	0.424	21%	0.206	S	C	.	.	H	α-helix	trans	-68.3	-30.5	175.4	-58.1	176	0	0	0	112.1	R291 I292 T293	R291-L295 WeakPolarHBondContact O-CG 2.99Å; I292-L295 HydrophobicContact CD1-CD1 4.35Å; I292-L295 WeakPolarHBondContact O-CB 3.37Å; I292-L295 PolarHBondContact O-N 3.39Å; T293-L295 VanDerWaalsContact C-N 3.33Å; T293-L295 PolarHBondContact O-N 2.89Å
296	L	97.4	Very high	97.6	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	21%	0.209	C	C	.	.			trans	-83.6	140.2	-176.1	-62.2	89	0	0	0	112.5	I292 T293 E294 D300 L302 V316 H383	I292-L296 WeakPolarHBondContact O-CD1 3.34Å; T293-L296 PolarHBondContact O-N 2.77Å; E294-L296 VanDerWaalsContact C-N 3.28Å; E294-L296 PolarHBondContact O-N 3.27Å; L296-D300 HydrophobicContact CB-CB 4.46Å; L296-D300 HydrophobicContact CD2-CB 4.49Å; L296-L302 HydrophobicContact CD2-CB 3.83Å; L296-L302 HydrophobicContact CD2-CD1 4.34Å; L296-V316 HydrophobicContact CB-CG2 4.5Å; L296-V316 HydrophobicContact CD1-CG2 4.12Å; L296-V316 HydrophobicContact CD2-CG1 3.74Å; L296-V316 HydrophobicContact CD2-CG2 4.17Å; L296-H383 HydrophobicContact CD2-CB 4.06Å; L296-H383 HydrophobicContact CG-CB 4.41Å
297	K	96.7	Very high	97.6	Very high	155 Å²	155	35.6 Å²	35.6	67%	0.674	20%	0.199	S	C	*	.			trans	-114.9	162.6	178.6	-61.2	175.2	-174.5	172	0	110.7	G299 D300 C321	K297-G299 PolarHBondContact O-N 2.89Å; K297-D300 PolarHBondContact N-OD2 3.43Å; K297-D300 VanDerWaalsContact O-CB 3.24Å; K297-D300 WeakPolarHBondContact O-CB 3.37Å; K297-D300 PolarHBondContact O-N 3.1Å; K297-C321 PolarHBondContact O-SG 3.48Å
298	A	96.4	Very high	97.7	Very high	73 Å²	73	31.3 Å²	31.3	60%	0.603	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	132.9	176.6	0	0	0	0	0	111.2	K319 N320	A298-K319 VanDerWaalsContact CA-O 3.25Å; A298-K319 WeakPolarHBondContact CA-O 3.38Å; A298-K319 VanDerWaalsContact CB-O 3.28Å; A298-K319 WeakPolarHBondContact CB-O 3.44Å; A298-N320 HydrophobicContact CB-CB 4.44Å
299	G	94.3	Very high	97.7	Very high	43 Å²	43	31.1 Å²	31.1	44%	0.443	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	-15.2	-174.7	0	0	0	0	0	115.2	K297 N320 P380	K297-G299 PolarHBondContact O-N 2.89Å; G299-N320 PolarHBondContact N-O 3.09Å; G299-P380 WeakPolarHBondContact O-CB 3.33Å
300	D	96.1	Very high	97.7	Very high	18 Å²	18	30.9 Å²	30.9	10%	0.096	17%	0.173	C	C	.	.			trans	-67.4	165.1	175.5	-68.7	-20	0	0	0	112.2	L296 K297 C321 T322 S381	L296-D300 HydrophobicContact CB-CB 4.46Å; L296-D300 HydrophobicContact CD2-CB 4.49Å; K297-D300 PolarHBondContact N-OD2 3.43Å; K297-D300 VanDerWaalsContact O-CB 3.24Å; K297-D300 WeakPolarHBondContact O-CB 3.37Å; K297-D300 PolarHBondContact O-N 3.1Å; D300-C321 CarbonylContact O-C 3.6Å; D300-C321 WeakPolarHBondContact O-CA 3.26Å; D300-C321 WeakPolarHBondContact O-CB 3.1Å; D300-T322 PolarHBondContact O-N 2.74Å; D300-S381 WeakPolarHBondContact CA-O 3.48Å; D300-S381 WeakPolarHBondContact CB-O 3.38Å; D300-S381 WeakPolarHBondContact OD1-CB 3.25Å; D300-S381 PolarHBondContact OD1-N 3.03Å
301	V	97.3	Very high	97.7	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.7	179.8	-173.8	0	0	0	0	110.2	F303 T322 L371 P380 S381 V382 H383	V301-F303 HydrophobicContact CG1-CD2 4.35Å; V301-F303 HydrophobicContact CG1-CE2 3.81Å; V301-F303 HydrophobicContact CG1-CZ 3.91Å; V301-T322 WeakPolarHBondContact CA-O 3.47Å; V301-L371 HydrophobicContact CB-CD1 4.37Å; V301-L371 HydrophobicContact CG1-CD1 4.3Å; V301-L371 HydrophobicContact CG2-CD1 3.84Å; V301-P380 HydrophobicContact CG2-CB 4.28Å; V301-P380 HydrophobicContact CG2-CG 4.12Å; V301-S381 PolarHBondContact N-O 3.36Å; V301-V382 HydrophobicContact CB-CG2 4.3Å; V301-H383 PolarHBondContact O-N 3.19Å
302	L	98.7	Very high	97.7	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.9	172.5	175	68.5	0	0	0	110.7	L296 D304 F312 V316 T322 V323 F324 H383 V385	L296-L302 HydrophobicContact CD2-CB 3.83Å; L296-L302 HydrophobicContact CD2-CD1 4.34Å; L302-D304 HydrophobicContact CD2-CB 4.43Å; L302-D304 HydrophobicContact CG-CB 4.49Å; L302-F312 HydrophobicContact CD2-CB 4.36Å; L302-V316 HydrophobicContact CB-CG1 3.8Å; L302-V316 HydrophobicContact CD2-CB 3.77Å; L302-V316 HydrophobicContact CD2-CG1 3.86Å; L302-V316 HydrophobicContact CD2-CG2 3.85Å; L302-V316 HydrophobicContact CG-CG1 4.46Å; L302-T322 PolarHBondContact N-O 3.38Å; L302-V323 HydrophobicContact CB-CG1 4.41Å; L302-V323 HydrophobicContact CB-CG2 4.37Å; L302-V323 HydrophobicContact CD2-CG1 4.12Å; L302-V323 HydrophobicContact CG-CG1 4.45Å; L302-V323 WeakPolarHBondContact O-CA 3.21Å; L302-F324 PolarHBondContact O-N 3.45Å; L302-H383 CarbonylContact C-O 3.58Å; L302-H383 WeakPolarHBondContact CA-O 3.34Å; L302-H383 HydrophobicContact CD1-CB 4.25Å; L302-V385 HydrophobicContact CD1-CB 4.26Å; L302-V385 HydrophobicContact CD1-CG2 3.61Å
303	F	98.8	Very high	97.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	109.4	161.9	-59.7	-76.9	0	0	0	109.2	V301 F324 F359 V364 E367 L368 V382 H383 I384 V385	V301-F303 HydrophobicContact CG1-CD2 4.35Å; V301-F303 HydrophobicContact CG1-CE2 3.81Å; V301-F303 HydrophobicContact CG1-CZ 3.91Å; F303-F324 WeakPolarHBondContact CA-O 3.21Å; F303-F324 HydrophobicContact CD1-CB 3.54Å; F303-F324 HydrophobicContact CD1-CD1 4.43Å; F303-F324 AromaticContact CD1-CD2 3.99Å; F303-F324 HydrophobicContact CD1-CD2 3.99Å; F303-F324 AromaticContact CD1-CG 3.78Å; F303-F324 HydrophobicContact CD1-CG 3.78Å; F303-F324 HydrophobicContact CE1-CB 3.96Å; F303-F324 HydrophobicContact CE1-CD1 4.07Å; F303-F324 AromaticContact CE1-CD2 3.58Å; F303-F324 HydrophobicContact CE1-CD2 3.58Å; F303-F324 HydrophobicContact CE1-CE1 4.43Å; F303-F324 AromaticContact CE1-CE2 4Å; F303-F324 HydrophobicContact CE1-CE2 4Å; F303-F324 AromaticContact CE1-CG 3.63Å; F303-F324 HydrophobicContact CE1-CG 3.63Å; F303-F324 HydrophobicContact CE1-CZ 4.39Å; F303-F324 HydrophobicContact CZ-CD2 4.38Å; F303-F359 HydrophobicContact CB-CE1 4.41Å; F303-F359 HydrophobicContact CD1-CZ 4.3Å; F303-V364 HydrophobicContact CB-CG2 4.17Å; F303-V364 HydrophobicContact CD1-CB 4.18Å; F303-V364 HydrophobicContact CD1-CG1 4.23Å; F303-V364 HydrophobicContact CD1-CG2 3.53Å; F303-V364 HydrophobicContact CD2-CG1 4.19Å; F303-V364 HydrophobicContact CE1-CB 4.27Å; F303-V364 HydrophobicContact CE1-CG1 4.34Å; F303-V364 HydrophobicContact CE1-CG2 4.06Å; F303-V364 HydrophobicContact CE2-CG1 4.26Å; F303-V364 HydrophobicContact CG-CG1 4.16Å; F303-V364 HydrophobicContact CG-CG2 3.92Å; F303-V364 HydrophobicContact CZ-CG1 4.34Å; F303-E367 HydrophobicContact CE1-CB 4.11Å; F303-E367 HydrophobicContact CE1-CG 4.25Å; F303-E367 HydrophobicContact CZ-CB 3.81Å; F303-E367 HydrophobicContact CZ-CG 3.76Å; F303-L368 HydrophobicContact CE2-CD2 4.17Å; F303-L368 HydrophobicContact CE2-CG 4.41Å; F303-V382 HydrophobicContact CD2-CG1 3.78Å; F303-V382 HydrophobicContact CE2-CG1 3.55Å; F303-H383 PolarHBondContact N-O 2.7Å; F303-I384 HydrophobicContact CB-CG1 4.21Å; F303-I384 HydrophobicContact CB-CG2 4.26Å; F303-I384 HydrophobicContact CD2-CG1 3.99Å; F303-I384 CarbonylContact O-C 3.56Å; F303-I384 WeakPolarHBondContact O-CA 3.14Å; F303-V385 PolarHBondContact O-N 3.05Å
304	D	98.8	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	101	174.5	-170.6	-3.8	0	0	0	109	L302 F306 A307 F324 A325 N326	L302-D304 HydrophobicContact CD2-CB 4.43Å; L302-D304 HydrophobicContact CG-CB 4.49Å; D304-F306 VanDerWaalsContact C-N 3.33Å; D304-F306 PolarHBondContact O-N 2.8Å; D304-A307 HydrophobicContact CB-CB 4.12Å; D304-A307 VanDerWaalsContact CG-CA 3.48Å; D304-A307 WeakPolarHBondContact OD1-CA 3.24Å; D304-A307 WeakPolarHBondContact OD2-CA 3.15Å; D304-A307 WeakPolarHBondContact OD2-CB 3.19Å; D304-F324 PolarHBondContact N-O 3.48Å; D304-A325 HydrophobicContact CB-CB 4.47Å; D304-N326 PolarHBondContact O-N 2.95Å
305	V	98.8	Very high	97.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-27.9	-169.1	-175.6	0	0	0	0	112.2	N326 F359 L360 I384 V385 M386	V305-N326 CarbonylContact C-O 3.58Å; V305-N326 VanDerWaalsContact C-O 3.3Å; V305-N326 PolarHBondContact O-ND2 2.74Å; V305-F359 HydrophobicContact CB-CD1 4.4Å; V305-F359 HydrophobicContact CG1-CD1 4.25Å; V305-F359 HydrophobicContact CG2-CD1 4.28Å; V305-F359 HydrophobicContact CG2-CE1 4.28Å; V305-L360 HydrophobicContact CG1-CD1 4.39Å; V305-L360 HydrophobicContact CG1-CG 4.36Å; V305-L360 HydrophobicContact CG2-CD2 3.94Å; V305-L360 HydrophobicContact CG2-CG 4.35Å; V305-I384 HydrophobicContact CG2-CG2 3.76Å; V305-V385 PolarHBondContact N-O 2.91Å; V305-M386 HydrophobicContact CB-CG 4.2Å; V305-M386 HydrophobicContact CG2-CG 3.84Å
306	F	98.3	Very high	97.9	Very high	22 Å²	22	16.9 Å²	16.9	10%	0.096	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.4	63.2	-175.7	-48.7	-68.5	0	0	0	109.7	D304 G308 N326 M386 L388 A392 F395	D304-F306 VanDerWaalsContact C-N 3.33Å; D304-F306 PolarHBondContact O-N 2.8Å; F306-G308 VanDerWaalsContact C-N 3.28Å; F306-G308 PolarHBondContact O-N 3.47Å; F306-N326 CarbonylContact C-O 3.58Å; F306-N326 WeakPolarHBondContact CA-O 3.37Å; F306-N326 PolarHBondContact N-O 3.42Å; F306-M386 HydrophobicContact CD2-CB 4.28Å; F306-M386 HydrophobicContact CE2-CB 4.02Å; F306-M386 HydrophobicContact CE2-CE 4.44Å; F306-M386 HydrophobicContact CE2-CG 4.47Å; F306-L388 HydrophobicContact CB-CB 4.28Å; F306-L388 HydrophobicContact CD1-CB 4.2Å; F306-L388 HydrophobicContact CD1-CD2 3.89Å; F306-L388 HydrophobicContact CD1-CG 4.42Å; F306-L388 HydrophobicContact CD2-CB 3.32Å; F306-L388 HydrophobicContact CD2-CD2 4.35Å; F306-L388 HydrophobicContact CD2-CG 4.34Å; F306-L388 HydrophobicContact CE1-CB 4.36Å; F306-L388 HydrophobicContact CE1-CD2 3.57Å; F306-L388 HydrophobicContact CE1-CG 4.47Å; F306-L388 HydrophobicContact CE2-CB 3.51Å; F306-L388 HydrophobicContact CE2-CD2 4.04Å; F306-L388 HydrophobicContact CE2-CG 4.38Å; F306-L388 HydrophobicContact CG-CB 3.68Å; F306-L388 HydrophobicContact CG-CD2 4.27Å; F306-L388 HydrophobicContact CG-CG 4.35Å; F306-L388 HydrophobicContact CZ-CB 4.04Å; F306-L388 HydrophobicContact CZ-CD2 3.64Å; F306-L388 HydrophobicContact CZ-CG 4.44Å; F306-A392 HydrophobicContact CE2-CB 4.49Å; F306-F395 HydrophobicContact CE1-CE1 4.34Å; F306-F395 HydrophobicContact CE1-CE2 4.24Å; F306-F395 HydrophobicContact CE1-CZ 4.1Å; F306-F395 HydrophobicContact CZ-CD1 4.11Å; F306-F395 AromaticContact CZ-CD2 3.73Å; F306-F395 HydrophobicContact CZ-CD2 3.73Å; F306-F395 HydrophobicContact CZ-CE1 4.18Å; F306-F395 AromaticContact CZ-CE2 3.79Å; F306-F395 HydrophobicContact CZ-CE2 3.79Å; F306-F395 AromaticContact CZ-CG 3.89Å; F306-F395 HydrophobicContact CZ-CG 3.89Å; F306-F395 HydrophobicContact CZ-CZ 4.02Å
307	A	98.3	Very high	97.9	Very high	3 Å²	3	16.7 Å²	16.7	3%	0.025	11%	0.105	C	C	.	.			trans	-70.4	-19.5	-164.6	0	0	0	0	0	114.1	D304 V309 G310 P311 A325 N326 L336	D304-A307 HydrophobicContact CB-CB 4.12Å; D304-A307 VanDerWaalsContact CG-CA 3.48Å; D304-A307 WeakPolarHBondContact OD1-CA 3.24Å; D304-A307 WeakPolarHBondContact OD2-CA 3.15Å; D304-A307 WeakPolarHBondContact OD2-CB 3.19Å; A307-V309 PolarHBondContact O-N 2.83Å; A307-V309 VanDerWaalsContact O-N 3.13Å; A307-G310 WeakPolarHBondContact O-CA 3.29Å; A307-G310 PolarHBondContact O-N 3.21Å; A307-P311 VanDerWaalsContact O-CD 3.23Å; A307-P311 WeakPolarHBondContact O-CD 3.49Å; A307-A325 HydrophobicContact CB-CB 3.89Å; A307-N326 WeakPolarHBondContact CB-O 3.48Å; A307-N326 PolarHBondContact N-O 2.88Å; A307-L336 HydrophobicContact CB-CD2 4Å
308	G	97.8	Very high	98	Very high	12 Å²	12	13.1 Å²	13.1	12%	0.124	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	-121.3	-171.5	0	0	0	0	0	110.6	F306 D327	F306-G308 VanDerWaalsContact C-N 3.28Å; F306-G308 PolarHBondContact O-N 3.47Å; G308-D327 VanDerWaalsContact CA-OD2 3.26Å; G308-D327 WeakPolarHBondContact CA-OD2 3.25Å; G308-D327 PolarHBondContact N-OD2 3.4Å
309	V	98.2	Very high	98	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.012	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	7.2	177.5	-55.9	0	0	0	0	114.3	Y272 F274 V279 W281 A307 W335	Y272-V309 HydrophobicContact CD1-CG2 4.37Å; F274-V309 HydrophobicContact CB-CG1 4Å; F274-V309 HydrophobicContact CD1-CB 4.32Å; F274-V309 HydrophobicContact CD1-CG1 4.1Å; F274-V309 HydrophobicContact CD1-CG2 3.99Å; F274-V309 HydrophobicContact CE1-CG2 4.21Å; F274-V309 HydrophobicContact CG-CG1 4.17Å; V279-V309 HydrophobicContact CB-CG1 4.07Å; V279-V309 HydrophobicContact CG1-CG1 4.13Å; V279-V309 HydrophobicContact CG2-CG1 3.8Å; W281-V309 HydrophobicContact CE3-CG2 3.41Å; W281-V309 VanDerWaalsContact CE3-CG2 3.41Å; W281-V309 HydrophobicContact CZ3-CG2 3.44Å; W281-V309 VanDerWaalsContact CZ3-CG2 3.44Å; A307-V309 PolarHBondContact O-N 2.83Å; A307-V309 VanDerWaalsContact O-N 3.13Å; V309-W335 HydrophobicContact CB-CB 4.47Å; V309-W335 HydrophobicContact CG1-CB 3.84Å
310	G	98.3	Very high	98.1	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.079	C	C	.	.			trans	94.5	34	171.5	0	0	0	0	0	118.4	A307 F312 A313 I314	A307-G310 WeakPolarHBondContact O-CA 3.29Å; A307-G310 PolarHBondContact O-N 3.21Å; G310-F312 VanDerWaalsContact C-N 3.27Å; G310-F312 PolarHBondContact O-N 2.93Å; G310-A313 PolarHBondContact O-N 3.03Å; G310-I314 WeakPolarHBondContact O-CB 3.42Å; G310-I314 PolarHBondContact O-N 2.79Å
311	P	98.3	Very high	98.1	Very high	13 Å²	13	14.9 Å²	14.9	8%	0.084	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.1	-178.6	30.8	-34.7	0	0	0	114.3	W281 H289 A307 P315	W281-P311 HydrophobicContact CH2-CB 4.42Å; W281-P311 HydrophobicContact CZ3-CB 4.13Å; W281-P311 HydrophobicContact CZ3-CG 4.46Å; H289-P311 VanDerWaalsContact CE1-CB 3.46Å; H289-P311 WeakPolarHBondContact CE1-CB 3.09Å; H289-P311 WeakPolarHBondContact ND1-CB 3.36Å; A307-P311 VanDerWaalsContact O-CD 3.23Å; A307-P311 WeakPolarHBondContact O-CD 3.49Å; P311-P315 VanDerWaalsContact O-CD 3.31Å; P311-P315 WeakPolarHBondContact O-CD 3.41Å; P311-P315 WeakPolarHBondContact O-CG 3.23Å
312	F	98.6	Very high	98.1	Very high	3 Å²	3	17.6 Å²	17.6	1%	0.013	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-46	167.4	-59.9	-80.9	0	0	0	111.7	H289 I292 T293 L302 G310 I314 P315 V316 V385 N387 Y419	H289-F312 HydrophobicContact CB-CE1 4.34Å; H289-F312 AromaticContact CD2-CE1 3.71Å; H289-F312 AromaticContact CD2-CE2 3.75Å; H289-F312 AromaticContact CD2-CZ 3.39Å; H289-F312 WeakPolarHBondContact CD2-CZ 3.48Å; I292-F312 HydrophobicContact CB-CD1 4.03Å; I292-F312 HydrophobicContact CB-CE1 3.77Å; I292-F312 HydrophobicContact CG1-CE1 3.95Å; I292-F312 HydrophobicContact CG2-CD1 4.01Å; I292-F312 HydrophobicContact CG2-CE1 4.1Å; T293-F312 HydrophobicContact CG2-CB 4.45Å; T293-F312 HydrophobicContact CG2-CD1 4.1Å; L302-F312 HydrophobicContact CD2-CB 4.36Å; G310-F312 VanDerWaalsContact C-N 3.27Å; G310-F312 PolarHBondContact O-N 2.93Å; F312-I314 PolarHBondContact O-N 3.25Å; F312-P315 WeakPolarHBondContact O-CD 3.4Å; F312-V316 WeakPolarHBondContact O-CB 3.48Å; F312-V316 WeakPolarHBondContact O-CG2 3.5Å; F312-V316 PolarHBondContact O-N 3.37Å; F312-V385 HydrophobicContact CD1-CG1 4.44Å; F312-V385 HydrophobicContact CD2-CG1 3.97Å; F312-V385 HydrophobicContact CE1-CG1 4.38Å; F312-V385 HydrophobicContact CE2-CG1 3.91Å; F312-V385 HydrophobicContact CG-CG1 4.24Å; F312-V385 HydrophobicContact CZ-CG1 4.11Å; F312-N387 HydrophobicContact CE2-CB 3.84Å; F312-N387 HydrophobicContact CZ-CB 4.46Å; F312-Y419 HydrophobicContact CZ-CE2 4.47Å; F312-Y419 WeakPolarHBondContact CZ-OH 3.25Å
313	A	98.6	Very high	98.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-56.5	-48.6	-175.9	0	0	0	0	0	113.7	G310 V316 A317 V323 A325	G310-A313 PolarHBondContact O-N 3.03Å; A313-V316 PolarHBondContact O-N 2.85Å; A313-A317 VanDerWaalsContact O-CB 3.31Å; A313-A317 WeakPolarHBondContact O-CB 3.42Å; A313-A317 PolarHBondContact O-N 3.44Å; A313-V323 HydrophobicContact CB-CG1 3.89Å; A313-A325 HydrophobicContact CB-CB 3.79Å
314	I	98.7	Very high	98.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-68	-48.6	-175.1	-71.6	164.5	0	0	0	112.3	Y270 Y272 G310 F312 V316 A317 K318 N339 N343 V345	Y270-I314 HydrophobicContact CD1-CG2 4.1Å; Y270-I314 HydrophobicContact CG-CG2 4.17Å; Y272-I314 HydrophobicContact CD1-CD1 4.07Å; Y272-I314 HydrophobicContact CE1-CB 4.33Å; Y272-I314 HydrophobicContact CE1-CD1 3.69Å; G310-I314 WeakPolarHBondContact O-CB 3.42Å; G310-I314 PolarHBondContact O-N 2.79Å; F312-I314 PolarHBondContact O-N 3.25Å; I314-V316 VanDerWaalsContact C-N 3.32Å; I314-V316 PolarHBondContact O-N 2.59Å; I314-A317 PolarHBondContact O-N 3.23Å; I314-K318 PolarHBondContact O-N 3.36Å; I314-K318 VanDerWaalsContact O-N 3.13Å; I314-N339 HydrophobicContact CD1-CB 3.54Å; I314-N343 HydrophobicContact CG2-CB 3.64Å; I314-V345 HydrophobicContact CG1-CG2 4.13Å; I314-V345 HydrophobicContact CG2-CG2 4.34Å
315	P	98.4	Very high	98.1	Very high	4 Å²	4	17.8 Å²	17.8	3%	0.026	9%	0.094	C	C	.	.	H	α-helix	trans	-57.8	-41.8	175	-27.3	34.2	0	0	0	113.6	Y270 T293 P311 F312 K318 K319	Y270-P315 HydrophobicContact CD2-CB 4.06Å; Y270-P315 HydrophobicContact CD2-CG 3.59Å; Y270-P315 HydrophobicContact CE2-CB 3.51Å; Y270-P315 HydrophobicContact CE2-CG 3.6Å; Y270-P315 HydrophobicContact CG-CG 4.45Å; T293-P315 HydrophobicContact CG2-CB 3.88Å; T293-P315 HydrophobicContact CG2-CG 4.29Å; P311-P315 VanDerWaalsContact O-CD 3.31Å; P311-P315 WeakPolarHBondContact O-CD 3.41Å; P311-P315 WeakPolarHBondContact O-CG 3.23Å; F312-P315 WeakPolarHBondContact O-CD 3.4Å; P315-K318 WeakPolarHBondContact O-CB 3.24Å; P315-K318 PolarHBondContact O-N 3.14Å; P315-K319 PolarHBondContact O-N 3.08Å
316	V	98.5	Very high	98.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-69.8	-42.2	-179.4	168.4	0	0	0	0	111.5	T293 L296 L302 F312 A313 I314 K318 K319 C321 V323	T293-V316 HydrophobicContact CG2-CG2 3.87Å; L296-V316 HydrophobicContact CB-CG2 4.5Å; L296-V316 HydrophobicContact CD1-CG2 4.12Å; L296-V316 HydrophobicContact CD2-CG1 3.74Å; L296-V316 HydrophobicContact CD2-CG2 4.17Å; L302-V316 HydrophobicContact CB-CG1 3.8Å; L302-V316 HydrophobicContact CD2-CB 3.77Å; L302-V316 HydrophobicContact CD2-CG1 3.86Å; L302-V316 HydrophobicContact CD2-CG2 3.85Å; L302-V316 HydrophobicContact CG-CG1 4.46Å; F312-V316 WeakPolarHBondContact O-CB 3.48Å; F312-V316 WeakPolarHBondContact O-CG2 3.5Å; F312-V316 PolarHBondContact O-N 3.37Å; A313-V316 PolarHBondContact O-N 2.85Å; I314-V316 VanDerWaalsContact C-N 3.32Å; I314-V316 PolarHBondContact O-N 2.59Å; V316-K318 PolarHBondContact O-N 3.06Å; V316-K319 WeakPolarHBondContact O-CA 3.22Å; V316-K319 WeakPolarHBondContact O-CB 3.4Å; V316-K319 PolarHBondContact O-N 3.03Å; V316-C321 HydrophobicContact CG1-CB 3.42Å; V316-C321 VanDerWaalsContact CG1-CB 3.42Å; V316-V323 HydrophobicContact CB-CG2 4.22Å; V316-V323 HydrophobicContact CG1-CG2 3.66Å
317	A	98.3	Very high	98.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.7	-31.5	175.1	0	0	0	0	0	112.2	A313 I314 K319 N320 V323 V345 K348 V349	A313-A317 VanDerWaalsContact O-CB 3.31Å; A313-A317 WeakPolarHBondContact O-CB 3.42Å; A313-A317 PolarHBondContact O-N 3.44Å; I314-A317 PolarHBondContact O-N 3.23Å; A317-K319 PolarHBondContact O-N 3.35Å; A317-N320 PolarHBondContact O-N 3.25Å; A317-V323 HydrophobicContact CB-CG2 3.88Å; A317-V345 HydrophobicContact CB-CB 3.87Å; A317-V345 HydrophobicContact CB-CG1 4.01Å; A317-V345 HydrophobicContact CB-CG2 4.26Å; A317-K348 HydrophobicContact CB-CB 4.21Å; A317-K348 WeakPolarHBondContact O-CD 3Å; A317-V349 HydrophobicContact CB-CG2 3.5Å; A317-V349 VanDerWaalsContact CB-CG2 3.5Å
318	K	97.9	Very high	98.1	Very high	79 Å²	79	20.7 Å²	20.7	34%	0.343	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-17.6	173.6	-78.5	-67	-166.8	-158.6	0	114.7	Y270 I314 P315 V316 N320 N343 K344 V345	Y270-K318 HydrophobicContact CD1-CG 4.35Å; Y270-K318 HydrophobicContact CE1-CB 4Å; Y270-K318 HydrophobicContact CE1-CG 3.61Å; I314-K318 PolarHBondContact O-N 3.36Å; I314-K318 VanDerWaalsContact O-N 3.13Å; P315-K318 WeakPolarHBondContact O-CB 3.24Å; P315-K318 PolarHBondContact O-N 3.14Å; V316-K318 PolarHBondContact O-N 3.06Å; K318-N320 VanDerWaalsContact C-N 3.29Å; K318-N343 WeakPolarHBondContact CE-O 3.4Å; K318-N343 PolarHBondContact NZ-O 3.34Å; K318-K344 PolarHBondContact NZ-O 3.02Å; K318-V345 HydrophobicContact CD-CG1 3.54Å; K318-V345 HydrophobicContact CG-CG1 3.64Å
319	K	96.9	Very high	98	Very high	65 Å²	65	20.3 Å²	20.3	28%	0.283	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	7.4	173.9	-63.6	-177.1	174.8	-168.6	0	113.8	T293 A298 P315 V316 A317 C321	T293-K319 PolarHBondContact O-NZ 2.85Å; A298-K319 VanDerWaalsContact CA-O 3.25Å; A298-K319 WeakPolarHBondContact CA-O 3.38Å; A298-K319 VanDerWaalsContact CB-O 3.28Å; A298-K319 WeakPolarHBondContact CB-O 3.44Å; P315-K319 PolarHBondContact O-N 3.08Å; V316-K319 WeakPolarHBondContact O-CA 3.22Å; V316-K319 WeakPolarHBondContact O-CB 3.4Å; V316-K319 PolarHBondContact O-N 3.03Å; A317-K319 PolarHBondContact O-N 3.35Å; K319-C321 VanDerWaalsContact C-N 3.3Å
320	N	96.5	Very high	98	Very high	100 Å²	100	23 Å²	23	54%	0.535	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	35.7	-173.8	-52.3	-43.6	0	0	0	113	A298 G299 A317 K318 K348	A298-N320 HydrophobicContact CB-CB 4.44Å; G299-N320 PolarHBondContact N-O 3.09Å; A317-N320 PolarHBondContact O-N 3.25Å; K318-N320 VanDerWaalsContact C-N 3.29Å; N320-K348 PolarHBondContact OD1-NZ 2.84Å
321	C	97.3	Very high	97.9	Very high	6 Å²	6	25.5 Å²	25.5	4%	0.041	13%	0.134	C	C	.	.			trans	-85.8	156.6	165.1	-58.4	0	0	0	0	110.1	K297 D300 V316 K319 V323	K297-C321 PolarHBondContact O-SG 3.48Å; D300-C321 CarbonylContact O-C 3.6Å; D300-C321 WeakPolarHBondContact O-CA 3.26Å; D300-C321 WeakPolarHBondContact O-CB 3.1Å; V316-C321 HydrophobicContact CG1-CB 3.42Å; V316-C321 VanDerWaalsContact CG1-CB 3.42Å; K319-C321 VanDerWaalsContact C-N 3.3Å; C321-V323 HydrophobicContact CB-CG2 4.35Å
322	T	96.8	Very high	97.9	Very high	59 Å²	59	25.1 Å²	25.1	36%	0.362	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	126.3	165.2	-59.3	0	0	0	0	108.2	D300 V301 L302 F324	D300-T322 PolarHBondContact O-N 2.74Å; V301-T322 WeakPolarHBondContact CA-O 3.47Å; L302-T322 PolarHBondContact N-O 3.38Å; T322-F324 HydrophobicContact CG2-CD2 4.22Å; T322-F324 HydrophobicContact CG2-CE2 3.71Å
323	V	98.7	Very high	97.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.2	-176.2	-174.8	0	0	0	0	111	L302 A313 V316 A317 C321 V349 K350	L302-V323 HydrophobicContact CB-CG1 4.41Å; L302-V323 HydrophobicContact CB-CG2 4.37Å; L302-V323 HydrophobicContact CD2-CG1 4.12Å; L302-V323 HydrophobicContact CG-CG1 4.45Å; L302-V323 WeakPolarHBondContact O-CA 3.21Å; A313-V323 HydrophobicContact CB-CG1 3.89Å; V316-V323 HydrophobicContact CB-CG2 4.22Å; V316-V323 HydrophobicContact CG1-CG2 3.66Å; A317-V323 HydrophobicContact CB-CG2 3.88Å; C321-V323 HydrophobicContact CB-CG2 4.35Å; V323-V349 HydrophobicContact CB-CG1 4.21Å; V323-V349 HydrophobicContact CB-CG2 4.19Å; V323-V349 HydrophobicContact CG1-CG1 3.95Å; V323-V349 HydrophobicContact CG1-CG2 4.45Å; V323-V349 CarbonylContact O-C 3.57Å; V323-V349 WeakPolarHBondContact O-CA 3.37Å; V323-K350 PolarHBondContact O-N 2.83Å
324	F	98.8	Very high	97.9	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.026	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125	166.8	-67.7	-115.1	0	0	0	107.7	L302 F303 D304 T322 K350 F352 F359 E367	L302-F324 PolarHBondContact O-N 3.45Å; F303-F324 WeakPolarHBondContact CA-O 3.21Å; F303-F324 HydrophobicContact CD1-CB 3.54Å; F303-F324 HydrophobicContact CD1-CD1 4.43Å; F303-F324 AromaticContact CD1-CD2 3.99Å; F303-F324 HydrophobicContact CD1-CD2 3.99Å; F303-F324 AromaticContact CD1-CG 3.78Å; F303-F324 HydrophobicContact CD1-CG 3.78Å; F303-F324 HydrophobicContact CE1-CB 3.96Å; F303-F324 HydrophobicContact CE1-CD1 4.07Å; F303-F324 AromaticContact CE1-CD2 3.58Å; F303-F324 HydrophobicContact CE1-CD2 3.58Å; F303-F324 HydrophobicContact CE1-CE1 4.43Å; F303-F324 AromaticContact CE1-CE2 4Å; F303-F324 HydrophobicContact CE1-CE2 4Å; F303-F324 AromaticContact CE1-CG 3.63Å; F303-F324 HydrophobicContact CE1-CG 3.63Å; F303-F324 HydrophobicContact CE1-CZ 4.39Å; F303-F324 HydrophobicContact CZ-CD2 4.38Å; D304-F324 PolarHBondContact N-O 3.48Å; T322-F324 HydrophobicContact CG2-CD2 4.22Å; T322-F324 HydrophobicContact CG2-CE2 3.71Å; F324-K350 CarbonylContact C-O 3.59Å; F324-K350 VanDerWaalsContact CA-O 3.31Å; F324-K350 WeakPolarHBondContact CA-O 3.5Å; F324-K350 HydrophobicContact CD1-CB 4.01Å; F324-K350 HydrophobicContact CD1-CD 3.91Å; F324-K350 HydrophobicContact CD2-CD 4.47Å; F324-K350 HydrophobicContact CE1-CB 4.31Å; F324-K350 HydrophobicContact CE1-CD 3.35Å; F324-K350 HydrophobicContact CE1-CG 4.47Å; F324-K350 HydrophobicContact CE2-CD 3.98Å; F324-K350 HydrophobicContact CG-CB 4.3Å; F324-K350 HydrophobicContact CG-CD 4.43Å; F324-K350 HydrophobicContact CZ-CD 3.39Å; F324-K350 VanDerWaalsContact CZ-NZ 3.32Å; F324-F352 HydrophobicContact CB-CE2 4.35Å; F324-F352 AromaticContact CD1-CE2 3.58Å; F324-F352 HydrophobicContact CD1-CE2 3.58Å; F324-F352 AromaticContact CD1-CZ 3.93Å; F324-F352 HydrophobicContact CD1-CZ 3.93Å; F324-F352 HydrophobicContact CE1-CE2 4.39Å; F324-F352 HydrophobicContact CE1-CZ 4.33Å; F324-F352 HydrophobicContact CG-CE2 4.38Å; F324-F359 HydrophobicContact CB-CE2 4.25Å; F324-F359 HydrophobicContact CB-CZ 3.8Å; F324-E367 HydrophobicContact CE1-CB 4.41Å; F324-E367 HydrophobicContact CE2-CB 4.42Å; F324-E367 HydrophobicContact CE2-CG 3.77Å; F324-E367 HydrophobicContact CZ-CB 3.92Å; F324-E367 HydrophobicContact CZ-CG 3.64Å; F324-E367 WeakPolarHBondContact CZ-OE2 3.41Å
325	A	98.8	Very high	97.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.7	-175.8	0	0	0	0	0	110	D304 A307 A313 L336 V349 K350 I351 F352	D304-A325 HydrophobicContact CB-CB 4.47Å; A307-A325 HydrophobicContact CB-CB 3.89Å; A313-A325 HydrophobicContact CB-CB 3.79Å; A325-L336 HydrophobicContact CB-CD2 3.78Å; A325-V349 HydrophobicContact CB-CG1 3.82Å; A325-K350 PolarHBondContact N-O 3.44Å; A325-I351 CarbonylContact O-C 3.55Å; A325-I351 VanDerWaalsContact O-CA 3.32Å; A325-I351 WeakPolarHBondContact O-CA 3.41Å; A325-F352 PolarHBondContact O-N 2.83Å
326	N	98.8	Very high	97.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	143.1	-177	177.5	70.3	0	0	0	110.7	D304 V305 F306 A307 F352 L354 F359	D304-N326 PolarHBondContact O-N 2.95Å; V305-N326 CarbonylContact C-O 3.58Å; V305-N326 VanDerWaalsContact C-O 3.3Å; V305-N326 PolarHBondContact O-ND2 2.74Å; F306-N326 CarbonylContact C-O 3.58Å; F306-N326 WeakPolarHBondContact CA-O 3.37Å; F306-N326 PolarHBondContact N-O 3.42Å; A307-N326 WeakPolarHBondContact CB-O 3.48Å; A307-N326 PolarHBondContact N-O 2.88Å; N326-F352 WeakPolarHBondContact CA-O 3.45Å; N326-F352 HydrophobicContact CB-CB 4.21Å; N326-F352 WeakPolarHBondContact OD1-CB 3.28Å; N326-F352 PolarHBondContact OD1-O 2.84Å; N326-L354 PolarHBondContact ND2-O 3.49Å; N326-L354 WeakPolarHBondContact OD1-CB 3.28Å; N326-L354 PolarHBondContact OD1-N 2.99Å; N326-L354 PolarHBondContact OD1-O 2.86Å; N326-F359 HydrophobicContact CB-CB 4.09Å; N326-F359 HydrophobicContact CB-CD1 3.58Å; N326-F359 HydrophobicContact CB-CD2 3.59Å; N326-F359 HydrophobicContact CB-CE1 3.79Å; N326-F359 HydrophobicContact CB-CE2 3.82Å; N326-F359 HydrophobicContact CB-CG 3.46Å; N326-F359 VanDerWaalsContact CB-CG 3.46Å; N326-F359 HydrophobicContact CB-CZ 3.89Å
327	D	98.4	Very high	97.9	Very high	20 Å²	20	36 Å²	36	11%	0.107	18%	0.181	C	C	.	.			trans	-146.7	143.1	164.3	-160.2	-84.9	0	0	0	110.1	G308 N329 S332 F352 N353	G308-D327 VanDerWaalsContact CA-OD2 3.26Å; G308-D327 WeakPolarHBondContact CA-OD2 3.25Å; G308-D327 PolarHBondContact N-OD2 3.4Å; D327-N329 VanDerWaalsContact OD1-CB 3.32Å; D327-N329 WeakPolarHBondContact OD1-CB 3.21Å; D327-N329 PolarHBondContact OD1-N 3.31Å; D327-S332 VanDerWaalsContact OD1-CB 3.32Å; D327-S332 WeakPolarHBondContact OD1-CB 3Å; D327-S332 PolarHBondContact OD1-OG 2.96Å; D327-F352 PolarHBondContact N-O 2.92Å; D327-N353 WeakPolarHBondContact O-CA 3.4Å; D327-N353 PolarHBondContact O-ND2 3.16Å
328	L	97.6	Very high	97.9	Very high	65 Å²	65	39.4 Å²	39.4	34%	0.34	20%	0.197	S	C	.	.	S	Bend	trans	-71.7	-32.3	178.7	178.9	65.3	0	0	0	111.9	M246 Y247 P330 N353 D355	M246-L328 HydrophobicContact CG-CD2 4.23Å; Y247-L328 HydrophobicContact CE1-CG 4.32Å; L328-P330 WeakPolarHBondContact O-CD 3.31Å; L328-N353 VanDerWaalsContact C-ND2 3.31Å; L328-N353 PolarHBondContact O-ND2 3.49Å; L328-D355 HydrophobicContact CD1-CB 4.44Å
329	N	96.2	Very high	98	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.027	18%	0.18	C	C	.	.			trans	-75.2	119.3	-177.5	175.6	3.4	0	0	0	110.3	Y247 K278 D327 E331 S332 H333	Y247-N329 HydrophobicContact CD1-CB 3.69Å; Y247-N329 HydrophobicContact CE1-CB 4.39Å; Y247-N329 HydrophobicContact CG-CB 4.14Å; K278-N329 PolarHBondContact O-ND2 3.18Å; D327-N329 VanDerWaalsContact OD1-CB 3.32Å; D327-N329 WeakPolarHBondContact OD1-CB 3.21Å; D327-N329 PolarHBondContact OD1-N 3.31Å; N329-E331 PolarHBondContact O-N 3.35Å; N329-E331 PolarHBondContact OD1-N 2.89Å; N329-S332 PolarHBondContact ND2-OG 2.67Å; N329-S332 WeakPolarHBondContact O-CB 3.1Å; N329-S332 PolarHBondContact O-N 3.13Å; N329-S332 VanDerWaalsContact O-N 3.09Å; N329-H333 PolarHBondContact O-N 3.41Å
330	P	97.1	Very high	98	Very high	57 Å²	57	32.5 Å²	32.5	37%	0.37	17%	0.167	S	C	.	.	H	α-helix	trans	-62.1	-29.4	-179.8	25.2	-34.6	0	0	0	113.2	L328 K334	L328-P330 WeakPolarHBondContact O-CD 3.31Å; P330-K334 WeakPolarHBondContact O-CB 3.45Å; P330-K334 PolarHBondContact O-N 3.24Å
331	E	97.2	Very high	98.1	Very high	54 Å²	54	34.4 Å²	34.4	25%	0.252	17%	0.17	S	C	.	.	H	α-helix	trans	-71.7	-40.7	174.2	-75	-66.2	129.5	0	0	111.5	K278 V279 N329 H333 K334 W335	K278-E331 HydrophobicContact CB-CB 3.89Å; K278-E331 HydrophobicContact CB-CG 3.93Å; K278-E331 HydrophobicContact CG-CG 4.38Å; V279-E331 HydrophobicContact CG1-CB 4.3Å; N329-E331 PolarHBondContact O-N 3.35Å; N329-E331 PolarHBondContact OD1-N 2.89Å; E331-H333 VanDerWaalsContact C-N 3.33Å; E331-H333 PolarHBondContact O-N 3.36Å; E331-K334 PolarHBondContact O-N 3.34Å; E331-K334 IonicContact OE1-NZ 3.84Å; E331-K334 PolarHBondContact OE1-NZ 2.99Å; E331-K334 VanDerWaalsContact OE1-NZ 3.16Å; E331-K334 IonicContact OE2-NZ 2.72Å; E331-K334 PolarHBondContact OE2-NZ 3.1Å; E331-W335 WeakPolarHBondContact O-CB 3.22Å; E331-W335 PolarHBondContact O-N 3.16Å
332	S	97.6	Very high	98.2	Very high	4 Å²	4	37 Å²	37	3%	0.028	18%	0.183	C	C	.	.	H	α-helix	trans	-57.6	-47.6	171.3	-68.2	0	0	0	0	110.8	D327 N329 K334 W335 L336	D327-S332 VanDerWaalsContact OD1-CB 3.32Å; D327-S332 WeakPolarHBondContact OD1-CB 3Å; D327-S332 PolarHBondContact OD1-OG 2.96Å; N329-S332 PolarHBondContact ND2-OG 2.67Å; N329-S332 WeakPolarHBondContact O-CB 3.1Å; N329-S332 PolarHBondContact O-N 3.13Å; N329-S332 VanDerWaalsContact O-N 3.09Å; S332-K334 PolarHBondContact O-N 3.1Å; S332-W335 CarbonylContact O-C 3.3Å; S332-W335 PolarHBondContact O-N 2.7Å; S332-L336 WeakPolarHBondContact O-CB 3.45Å; S332-L336 PolarHBondContact O-N 2.76Å
333	H	98.3	Very high	98.3	Very high	43 Å²	43	35 Å²	35	20%	0.199	17%	0.171	C	C	.	.	H	α-helix	trans	-58.4	-47.5	177.6	169.1	-102.3	0	0	0	112.7	N329 E331 W335 L336 L337 I351 F352 N353	N329-H333 PolarHBondContact O-N 3.41Å; E331-H333 VanDerWaalsContact C-N 3.33Å; E331-H333 PolarHBondContact O-N 3.36Å; H333-W335 VanDerWaalsContact C-N 3.33Å; H333-W335 PolarHBondContact O-N 2.92Å; H333-L336 WeakPolarHBondContact O-CB 3.3Å; H333-L336 PolarHBondContact O-N 3.24Å; H333-L337 WeakPolarHBondContact CE1-CD1 3.34Å; H333-L337 PolarHBondContact O-N 3.03Å; H333-I351 WeakPolarHBondContact CD2-CG2 3.43Å; H333-F352 PolarHBondContact CD2-O 3.23Å; H333-N353 HydrophobicContact CB-CB 3.99Å
334	K	98.6	Very high	98.3	Very high	103 Å²	103	42.9 Å²	42.9	45%	0.448	21%	0.205	S	C	.	.	H	α-helix	trans	-57	-45.5	174.5	168.6	-176.4	158.7	-156.1	0	111.7	P330 E331 S332 L337 H338	P330-K334 WeakPolarHBondContact O-CB 3.45Å; P330-K334 PolarHBondContact O-N 3.24Å; E331-K334 PolarHBondContact O-N 3.34Å; E331-K334 IonicContact OE1-NZ 3.84Å; E331-K334 PolarHBondContact OE1-NZ 2.99Å; E331-K334 VanDerWaalsContact OE1-NZ 3.16Å; E331-K334 IonicContact OE2-NZ 2.72Å; E331-K334 PolarHBondContact OE2-NZ 3.1Å; S332-K334 PolarHBondContact O-N 3.1Å; K334-L337 PolarHBondContact O-N 2.98Å; K334-H338 PolarHBondContact O-N 3.14Å; K334-H338 VanDerWaalsContact O-N 3.09Å
335	W	98.6	Very high	98.2	Very high	21 Å²	21	42.7 Å²	42.7	8%	0.08	20%	0.204	C	C	.	.	H	α-helix	trans	-70.9	-33.5	178.6	-74.8	119.4	0	0	0	113.1	M262 E273 F274 D275 V309 E331 S332 H333 H338 N339	M262-W335 HydrophobicContact CE-CH2 3.21Å; M262-W335 HydrophobicContact CE-CZ2 3.35Å; M262-W335 HydrophobicContact CE-CZ3 4.43Å; M262-W335 HydrophobicContact SD-CH2 4.39Å; M262-W335 HydrophobicContact SD-CZ2 3.97Å; E273-W335 HydrophobicContact CB-CZ3 4.19Å; F274-W335 VanDerWaalsContact CA-CD2 3.42Å; F274-W335 HydrophobicContact CB-CB 4.18Å; F274-W335 HydrophobicContact CB-CD2 3.89Å; F274-W335 HydrophobicContact CB-CE3 4.39Å; F274-W335 HydrophobicContact CB-CG 3.73Å; D275-W335 HydrophobicContact CB-CZ2 4.33Å; V309-W335 HydrophobicContact CB-CB 4.47Å; V309-W335 HydrophobicContact CG1-CB 3.84Å; E331-W335 WeakPolarHBondContact O-CB 3.22Å; E331-W335 PolarHBondContact O-N 3.16Å; S332-W335 CarbonylContact O-C 3.3Å; S332-W335 PolarHBondContact O-N 2.7Å; H333-W335 VanDerWaalsContact C-N 3.33Å; H333-W335 PolarHBondContact O-N 2.92Å; W335-H338 HydrophobicContact CE3-CB 4.09Å; W335-H338 AromaticContact CE3-CD2 3.76Å; W335-H338 HydrophobicContact CZ3-CB 4.47Å; W335-H338 AromaticContact CZ3-CD2 3.63Å; W335-H338 PolarHBondContact O-N 3.36Å; W335-N339 WeakPolarHBondContact O-CB 3.26Å; W335-N339 PolarHBondContact O-N 3.42Å; W335-N339 PolarHBondContact O-ND2 2.8Å
336	L	98.7	Very high	98	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-47.6	172.3	175.6	59	0	0	0	111.2	A307 A325 S332 H333 H338 N339 C340 I351	A307-L336 HydrophobicContact CB-CD2 4Å; A325-L336 HydrophobicContact CB-CD2 3.78Å; S332-L336 WeakPolarHBondContact O-CB 3.45Å; S332-L336 PolarHBondContact O-N 2.76Å; H333-L336 WeakPolarHBondContact O-CB 3.3Å; H333-L336 PolarHBondContact O-N 3.24Å; L336-H338 VanDerWaalsContact C-N 3.34Å; L336-H338 PolarHBondContact O-N 2.98Å; L336-N339 PolarHBondContact O-N 2.91Å; L336-C340 WeakPolarHBondContact O-CB 3.33Å; L336-C340 PolarHBondContact O-N 3.4Å; L336-C340 PolarHBondContact O-SG 3.33Å; L336-C340 VanDerWaalsContact O-SG 3.37Å; L336-I351 HydrophobicContact CD2-CG1 4.27Å; L336-I351 HydrophobicContact CD2-CG2 3.7Å; L336-I351 HydrophobicContact CG-CD1 4.1Å; L336-I351 HydrophobicContact CG-CG1 4.25Å; L336-I351 HydrophobicContact CG-CG2 4.1Å
337	L	98.8	Very high	97.8	Very high	70 Å²	70	53.8 Å²	53.8	37%	0.366	26%	0.258	S	S	.	.	H	α-helix	trans	-56.4	-47.7	173.8	-76.9	165.3	0	0	0	111.7	H333 K334 K341 I351	H333-L337 WeakPolarHBondContact CE1-CD1 3.34Å; H333-L337 PolarHBondContact O-N 3.03Å; K334-L337 PolarHBondContact O-N 2.98Å; L337-K341 PolarHBondContact O-N 3.17Å; L337-I351 HydrophobicContact CD2-CB 4.25Å; L337-I351 HydrophobicContact CD2-CD1 3.65Å; L337-I351 HydrophobicContact CD2-CG2 4.32Å; L337-I351 HydrophobicContact CG-CD1 4.15Å; L337-I351 HydrophobicContact CG-CG2 4.24Å
338	H	98.7	Very high	97.5	Very high	70 Å²	70	57 Å²	57	32%	0.324	27%	0.271	S	S	.	.	H	α-helix	trans	-60	-47.8	176.2	178.4	73.8	0	0	0	111.9	E273 K334 W335 L336 C340 K341 L342	E273-H338 IonicContact OE2-CD2 3.98Å; E273-H338 IonicContact OE2-CE1 3.46Å; E273-H338 IonicContact OE2-NE2 2.69Å; E273-H338 PolarHBondContact OE2-NE2 3.3Å; K334-H338 PolarHBondContact O-N 3.14Å; K334-H338 VanDerWaalsContact O-N 3.09Å; W335-H338 HydrophobicContact CE3-CB 4.09Å; W335-H338 AromaticContact CE3-CD2 3.76Å; W335-H338 HydrophobicContact CZ3-CB 4.47Å; W335-H338 AromaticContact CZ3-CD2 3.63Å; W335-H338 PolarHBondContact O-N 3.36Å; L336-H338 VanDerWaalsContact C-N 3.34Å; L336-H338 PolarHBondContact O-N 2.98Å; H338-C340 VanDerWaalsContact C-N 3.35Å; H338-C340 PolarHBondContact O-N 3.1Å; H338-K341 WeakPolarHBondContact O-CB 3.3Å; H338-K341 PolarHBondContact O-N 2.92Å; H338-K341 VanDerWaalsContact O-N 3.16Å; H338-L342 WeakPolarHBondContact O-CB 3.21Å; H338-L342 PolarHBondContact O-N 3.36Å
339	N	98.8	Very high	97.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-69.8	-31.7	-176.7	-71.8	-33.6	0	0	0	112.5	Y272 E273 I314 W335 L336 L342 N343	Y272-N339 HydrophobicContact CD1-CB 4.41Å; E273-N339 PolarHBondContact N-OD1 3.18Å; E273-N339 PolarHBondContact O-ND2 3.48Å; E273-N339 PolarHBondContact O-OD1 2.93Å; I314-N339 HydrophobicContact CD1-CB 3.54Å; W335-N339 WeakPolarHBondContact O-CB 3.26Å; W335-N339 PolarHBondContact O-N 3.42Å; W335-N339 PolarHBondContact O-ND2 2.8Å; L336-N339 PolarHBondContact O-N 2.91Å; N339-L342 PolarHBondContact O-N 2.8Å; N339-N343 WeakPolarHBondContact O-CB 3.35Å; N339-N343 PolarHBondContact O-N 3.13Å; N339-N343 PolarHBondContact O-ND2 3.09Å
340	C	98.7	Very high	97.7	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.8	-43.1	170.6	-77.4	0	0	0	0	111.5	L336 H338 N343 K344 V345 D346 I351	L336-C340 WeakPolarHBondContact O-CB 3.33Å; L336-C340 PolarHBondContact O-N 3.4Å; L336-C340 PolarHBondContact O-SG 3.33Å; L336-C340 VanDerWaalsContact O-SG 3.37Å; H338-C340 VanDerWaalsContact C-N 3.35Å; H338-C340 PolarHBondContact O-N 3.1Å; C340-N343 CarbonylContact O-C 3.53Å; C340-N343 PolarHBondContact O-N 3.15Å; C340-K344 PolarHBondContact O-N 3.29Å; C340-V345 HydrophobicContact CB-CG2 4.03Å; C340-V345 PolarHBondContact O-N 3.11Å; C340-D346 HydrophobicContact CB-CB 4.35Å; C340-D346 PolarHBondContact O-N 3.23Å; C340-I351 HydrophobicContact CB-CD1 4.17Å
341	K	98.6	Very high	97.7	Very high	140 Å²	140	57.8 Å²	57.8	61%	0.609	27%	0.268	S	S	*	.	H	α-helix	trans	-65	-47.6	173.4	-68.2	176.6	-178.5	178.8	0	111.7	L337 H338 N343 K344 D346	L337-K341 PolarHBondContact O-N 3.17Å; H338-K341 WeakPolarHBondContact O-CB 3.3Å; H338-K341 PolarHBondContact O-N 2.92Å; H338-K341 VanDerWaalsContact O-N 3.16Å; K341-N343 PolarHBondContact O-N 2.98Å; K341-K344 PolarHBondContact O-N 3.19Å; K341-D346 HydrophobicContact CG-CB 3.77Å
342	L	98.5	Very high	97.8	Very high	59 Å²	59	57.7 Å²	57.7	31%	0.309	27%	0.266	S	S	.	.	H	α-helix	trans	-54.5	-40.9	178.2	179.1	61.7	0	0	0	111.7	T271 E273 H338 N339	T271-L342 HydrophobicContact CG2-CD2 4.13Å; T271-L342 WeakPolarHBondContact O-CD2 3.27Å; E273-L342 HydrophobicContact CB-CD2 4.42Å; E273-L342 HydrophobicContact CG-CD2 3.95Å; H338-L342 WeakPolarHBondContact O-CB 3.21Å; H338-L342 PolarHBondContact O-N 3.36Å; N339-L342 PolarHBondContact O-N 2.8Å
343	N	98.6	Very high	97.9	Very high	18 Å²	18	60.5 Å²	60.5	10%	0.096	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	1.9	178	-67.2	-82	0	0	0	113.4	T271 I314 K318 N339 C340 K341 V345	T271-N343 PolarHBondContact N-OD1 2.83Å; T271-N343 VanDerWaalsContact N-OD1 3.15Å; T271-N343 PolarHBondContact O-ND2 2.82Å; I314-N343 HydrophobicContact CG2-CB 3.64Å; K318-N343 WeakPolarHBondContact CE-O 3.4Å; K318-N343 PolarHBondContact NZ-O 3.34Å; N339-N343 WeakPolarHBondContact O-CB 3.35Å; N339-N343 PolarHBondContact O-N 3.13Å; N339-N343 PolarHBondContact O-ND2 3.09Å; C340-N343 CarbonylContact O-C 3.53Å; C340-N343 PolarHBondContact O-N 3.15Å; K341-N343 PolarHBondContact O-N 2.98Å; N343-V345 HydrophobicContact CB-CG2 4.46Å
344	K	98.2	Very high	97.9	Very high	165 Å²	165	61.4 Å²	61.4	72%	0.717	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	53.7	-179.9	-46.1	177	-177.8	-175.9	0	112.6	K318 C340 K341	K318-K344 PolarHBondContact NZ-O 3.02Å; C340-K344 PolarHBondContact O-N 3.29Å; K341-K344 PolarHBondContact O-N 3.19Å
345	V	97.9	Very high	97.8	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.012	28%	0.281	C	S	.	.			trans	-136.2	10.4	174	-64.5	0	0	0	0	112.6	I314 A317 K318 C340 N343 Q347 K348 V349	I314-V345 HydrophobicContact CG1-CG2 4.13Å; I314-V345 HydrophobicContact CG2-CG2 4.34Å; A317-V345 HydrophobicContact CB-CB 3.87Å; A317-V345 HydrophobicContact CB-CG1 4.01Å; A317-V345 HydrophobicContact CB-CG2 4.26Å; K318-V345 HydrophobicContact CD-CG1 3.54Å; K318-V345 HydrophobicContact CG-CG1 3.64Å; C340-V345 HydrophobicContact CB-CG2 4.03Å; C340-V345 PolarHBondContact O-N 3.11Å; N343-V345 HydrophobicContact CB-CG2 4.46Å; V345-Q347 PolarHBondContact O-N 2.85Å; V345-Q347 VanDerWaalsContact O-N 3.14Å; V345-K348 PolarHBondContact O-N 2.9Å; V345-V349 HydrophobicContact CB-CG2 4.41Å; V345-V349 HydrophobicContact CG2-CG2 4.2Å; V345-V349 PolarHBondContact O-N 2.81Å
346	D	94.8	Very high	97.8	Very high	63 Å²	63	58.2 Å²	58.2	34%	0.337	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-27.1	-179.9	55.9	-66.7	0	0	0	113.7	C340 K341	C340-D346 HydrophobicContact CB-CB 4.35Å; C340-D346 PolarHBondContact O-N 3.23Å; K341-D346 HydrophobicContact CG-CB 3.77Å
347	Q	93.8	Very high	97.8	Very high	170 Å²	170	62.7 Å²	62.7	79%	0.794	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-4	175	-56.2	-55.7	-49.7	0	0	114.1	V345	V345-Q347 PolarHBondContact O-N 2.85Å; V345-Q347 VanDerWaalsContact O-N 3.14Å
348	K	92.8	Very high	97.7	Very high	88 Å²	88	63.7 Å²	63.7	38%	0.383	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-8.2	-175.4	-63.2	-172.5	179.3	-178.1	0	113.6	A317 N320 V345	A317-K348 HydrophobicContact CB-CB 4.21Å; A317-K348 WeakPolarHBondContact O-CD 3Å; N320-K348 PolarHBondContact OD1-NZ 2.84Å; V345-K348 PolarHBondContact O-N 2.9Å
349	V	98.1	Very high	97.7	Very high	10 Å²	10	60.4 Å²	60.4	6%	0.061	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121	-177.9	-170.3	0	0	0	0	108.6	A317 V323 A325 V345 I351	A317-V349 HydrophobicContact CB-CG2 3.5Å; A317-V349 VanDerWaalsContact CB-CG2 3.5Å; V323-V349 HydrophobicContact CB-CG1 4.21Å; V323-V349 HydrophobicContact CB-CG2 4.19Å; V323-V349 HydrophobicContact CG1-CG1 3.95Å; V323-V349 HydrophobicContact CG1-CG2 4.45Å; V323-V349 CarbonylContact O-C 3.57Å; V323-V349 WeakPolarHBondContact O-CA 3.37Å; A325-V349 HydrophobicContact CB-CG1 3.82Å; V345-V349 HydrophobicContact CB-CG2 4.41Å; V345-V349 HydrophobicContact CG2-CG2 4.2Å; V345-V349 PolarHBondContact O-N 2.81Å; V349-I351 HydrophobicContact CB-CD1 4.43Å; V349-I351 HydrophobicContact CB-CG1 4.16Å; V349-I351 HydrophobicContact CG1-CD1 4.27Å; V349-I351 HydrophobicContact CG1-CG1 3.61Å
350	K	98.6	Very high	97.7	Very high	101 Å²	101	60.4 Å²	60.4	44%	0.439	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	118.4	166.6	-66	172.9	178.7	177.9	0	107.6	V323 F324 A325 F352 E367	V323-K350 PolarHBondContact O-N 2.83Å; F324-K350 CarbonylContact C-O 3.59Å; F324-K350 VanDerWaalsContact CA-O 3.31Å; F324-K350 WeakPolarHBondContact CA-O 3.5Å; F324-K350 HydrophobicContact CD1-CB 4.01Å; F324-K350 HydrophobicContact CD1-CD 3.91Å; F324-K350 HydrophobicContact CD2-CD 4.47Å; F324-K350 HydrophobicContact CE1-CB 4.31Å; F324-K350 HydrophobicContact CE1-CD 3.35Å; F324-K350 HydrophobicContact CE1-CG 4.47Å; F324-K350 HydrophobicContact CE2-CD 3.98Å; F324-K350 HydrophobicContact CG-CB 4.3Å; F324-K350 HydrophobicContact CG-CD 4.43Å; F324-K350 HydrophobicContact CZ-CD 3.39Å; F324-K350 VanDerWaalsContact CZ-NZ 3.32Å; A325-K350 PolarHBondContact N-O 3.44Å; K350-F352 HydrophobicContact CB-CE2 3.71Å; K350-F352 HydrophobicContact CB-CZ 4.11Å; K350-F352 WeakPolarHBondContact O-CE2 3.48Å; K350-E367 IonicContact NZ-OE2 2.8Å
351	I	98.7	Very high	97.7	Very high	32 Å²	32	64.5 Å²	64.5	16%	0.164	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136.3	-170.4	-62	165.2	0	0	0	109.9	A325 H333 L336 L337 C340 V349	A325-I351 CarbonylContact O-C 3.55Å; A325-I351 VanDerWaalsContact O-CA 3.32Å; A325-I351 WeakPolarHBondContact O-CA 3.41Å; H333-I351 WeakPolarHBondContact CD2-CG2 3.43Å; L336-I351 HydrophobicContact CD2-CG1 4.27Å; L336-I351 HydrophobicContact CD2-CG2 3.7Å; L336-I351 HydrophobicContact CG-CD1 4.1Å; L336-I351 HydrophobicContact CG-CG1 4.25Å; L336-I351 HydrophobicContact CG-CG2 4.1Å; L337-I351 HydrophobicContact CD2-CB 4.25Å; L337-I351 HydrophobicContact CD2-CD1 3.65Å; L337-I351 HydrophobicContact CD2-CG2 4.32Å; L337-I351 HydrophobicContact CG-CD1 4.15Å; L337-I351 HydrophobicContact CG-CG2 4.24Å; C340-I351 HydrophobicContact CB-CD1 4.17Å; V349-I351 HydrophobicContact CB-CD1 4.43Å; V349-I351 HydrophobicContact CB-CG1 4.16Å; V349-I351 HydrophobicContact CG1-CD1 4.27Å; V349-I351 HydrophobicContact CG1-CG1 3.61Å
352	F	98.7	Very high	97.6	Very high	52 Å²	52	58.7 Å²	58.7	23%	0.228	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	152.8	-176.1	-56.8	-95	0	0	0	111.3	F324 A325 N326 D327 H333 K350 L354 F359 P363	F324-F352 HydrophobicContact CB-CE2 4.35Å; F324-F352 AromaticContact CD1-CE2 3.58Å; F324-F352 HydrophobicContact CD1-CE2 3.58Å; F324-F352 AromaticContact CD1-CZ 3.93Å; F324-F352 HydrophobicContact CD1-CZ 3.93Å; F324-F352 HydrophobicContact CE1-CE2 4.39Å; F324-F352 HydrophobicContact CE1-CZ 4.33Å; F324-F352 HydrophobicContact CG-CE2 4.38Å; A325-F352 PolarHBondContact O-N 2.83Å; N326-F352 WeakPolarHBondContact CA-O 3.45Å; N326-F352 HydrophobicContact CB-CB 4.21Å; N326-F352 WeakPolarHBondContact OD1-CB 3.28Å; N326-F352 PolarHBondContact OD1-O 2.84Å; D327-F352 PolarHBondContact N-O 2.92Å; H333-F352 PolarHBondContact CD2-O 3.23Å; K350-F352 HydrophobicContact CB-CE2 3.71Å; K350-F352 HydrophobicContact CB-CZ 4.11Å; K350-F352 WeakPolarHBondContact O-CE2 3.48Å; F352-L354 HydrophobicContact CB-CD1 4.29Å; F352-L354 HydrophobicContact CB-CG 4.33Å; F352-L354 HydrophobicContact CD1-CD1 4.28Å; F352-F359 HydrophobicContact CB-CD2 4.16Å; F352-F359 HydrophobicContact CB-CE2 4.36Å; F352-F359 HydrophobicContact CD2-CD2 4.08Å; F352-F359 AromaticContact CD2-CE2 3.49Å; F352-F359 HydrophobicContact CD2-CE2 3.49Å; F352-F359 VanDerWaalsContact CD2-CE2 3.49Å; F352-F359 HydrophobicContact CD2-CZ 4.48Å; F352-F359 AromaticContact CE2-CE2 3.93Å; F352-F359 HydrophobicContact CE2-CE2 3.93Å; F352-F359 HydrophobicContact CG-CD2 4.07Å; F352-F359 AromaticContact CG-CE2 3.97Å; F352-F359 HydrophobicContact CG-CE2 3.97Å; F352-P363 HydrophobicContact CD1-CB 4.44Å; F352-P363 HydrophobicContact CD1-CG 3.81Å; F352-P363 HydrophobicContact CE1-CB 3.91Å; F352-P363 HydrophobicContact CE1-CG 3.56Å; F352-P363 HydrophobicContact CE2-CB 4.33Å; F352-P363 HydrophobicContact CG-CG 4.47Å; F352-P363 HydrophobicContact CZ-CB 3.85Å; F352-P363 HydrophobicContact CZ-CG 4.04Å
353	N	98.6	Very high	97.6	Very high	63 Å²	63	56.7 Å²	56.7	34%	0.337	28%	0.277	S	S	.	.			trans	-125.5	75.5	171.9	-177.9	-146.3	0	0	0	109.7	D327 L328 H333	D327-N353 WeakPolarHBondContact O-CA 3.4Å; D327-N353 PolarHBondContact O-ND2 3.16Å; L328-N353 VanDerWaalsContact C-ND2 3.31Å; L328-N353 PolarHBondContact O-ND2 3.49Å; H333-N353 HydrophobicContact CB-CB 3.99Å
354	L	98.4	Very high	97.6	Very high	62 Å²	62	55.9 Å²	55.9	33%	0.325	27%	0.272	S	S	.	.	S	Bend	trans	-127.9	162.7	-175.8	-58.6	173	0	0	0	110.5	N326 F352 D358 F359 P363	N326-L354 PolarHBondContact ND2-O 3.49Å; N326-L354 WeakPolarHBondContact OD1-CB 3.28Å; N326-L354 PolarHBondContact OD1-N 2.99Å; N326-L354 PolarHBondContact OD1-O 2.86Å; F352-L354 HydrophobicContact CB-CD1 4.29Å; F352-L354 HydrophobicContact CB-CG 4.33Å; F352-L354 HydrophobicContact CD1-CD1 4.28Å; L354-D358 HydrophobicContact CB-CB 4.47Å; L354-F359 HydrophobicContact CB-CB 4.33Å; L354-F359 HydrophobicContact CD1-CB 4.47Å; L354-P363 HydrophobicContact CD1-CG 4.2Å
355	D	98.1	Very high	97.5	Very high	58 Å²	58	50.8 Å²	50.8	31%	0.31	25%	0.25	S	C	.	.			trans	-58.5	144.7	160.7	-176.5	-93.7	0	0	0	110	L328 K357 D358 F359	L328-D355 HydrophobicContact CD1-CB 4.44Å; D355-K357 PolarHBondContact O-N 3.45Å; D355-K357 VanDerWaalsContact OD1-CB 3.23Å; D355-K357 WeakPolarHBondContact OD1-CB 3.3Å; D355-K357 PolarHBondContact OD1-N 2.91Å; D355-D358 HydrophobicContact CB-CB 4.47Å; D355-D358 PolarHBondContact O-N 3.39Å; D355-D358 VanDerWaalsContact O-N 3.15Å; D355-F359 PolarHBondContact O-N 2.92Å
356	G	97.9	Very high	97.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.4	-32.2	-176.7	0	0	0	0	0	113	L360	G356-L360 WeakPolarHBondContact O-CB 3.32Å; G356-L360 WeakPolarHBondContact O-CD1 3.37Å; G356-L360 WeakPolarHBondContact O-CG 3.38Å; G356-L360 PolarHBondContact O-N 2.81Å; G356-L360 VanDerWaalsContact O-N 3.07Å
357	K	97.8	Very high	97.3	Very high	93 Å²	93	54.6 Å²	54.6	40%	0.404	27%	0.266	S	S	.	.	H	α-helix	trans	-71.1	-44.8	177.3	-175.1	-179.9	176.5	-174.4	0	110.9	D355 F359 L360 Q361 F395 A398	D355-K357 PolarHBondContact O-N 3.45Å; D355-K357 VanDerWaalsContact OD1-CB 3.23Å; D355-K357 WeakPolarHBondContact OD1-CB 3.3Å; D355-K357 PolarHBondContact OD1-N 2.91Å; K357-F359 VanDerWaalsContact C-N 3.3Å; K357-F359 PolarHBondContact O-N 3.02Å; K357-L360 WeakPolarHBondContact O-CB 3.35Å; K357-L360 PolarHBondContact O-N 3.23Å; K357-Q361 HydrophobicContact CG-CG 4.45Å; K357-Q361 WeakPolarHBondContact O-CB 3.42Å; K357-Q361 WeakPolarHBondContact O-CG 3.04Å; K357-Q361 PolarHBondContact O-N 2.92Å; K357-F395 HydrophobicContact CB-CD1 4.09Å; K357-F395 HydrophobicContact CB-CE1 4.12Å; K357-A398 HydrophobicContact CG-CB 4.13Å
358	D	98.5	Very high	97.2	Very high	92 Å²	92	46.5 Å²	46.5	49%	0.492	23%	0.228	S	C	.	.	H	α-helix	trans	-64.5	-38.6	178.2	-63.6	-22.2	0	0	0	111.1	L354 D355 L360 Q361 G362	L354-D358 HydrophobicContact CB-CB 4.47Å; D355-D358 HydrophobicContact CB-CB 4.47Å; D355-D358 PolarHBondContact O-N 3.39Å; D355-D358 VanDerWaalsContact O-N 3.15Å; D358-L360 PolarHBondContact O-N 3.09Å; D358-Q361 PolarHBondContact O-N 3.15Å; D358-G362 PolarHBondContact O-N 2.73Å
359	F	98.7	Very high	97.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-44	172.5	177.6	-113.5	0	0	0	112.4	F303 V305 F324 N326 F352 L354 D355 K357 P363 V364	F303-F359 HydrophobicContact CB-CE1 4.41Å; F303-F359 HydrophobicContact CD1-CZ 4.3Å; V305-F359 HydrophobicContact CB-CD1 4.4Å; V305-F359 HydrophobicContact CG1-CD1 4.25Å; V305-F359 HydrophobicContact CG2-CD1 4.28Å; V305-F359 HydrophobicContact CG2-CE1 4.28Å; F324-F359 HydrophobicContact CB-CE2 4.25Å; F324-F359 HydrophobicContact CB-CZ 3.8Å; N326-F359 HydrophobicContact CB-CB 4.09Å; N326-F359 HydrophobicContact CB-CD1 3.58Å; N326-F359 HydrophobicContact CB-CD2 3.59Å; N326-F359 HydrophobicContact CB-CE1 3.79Å; N326-F359 HydrophobicContact CB-CE2 3.82Å; N326-F359 HydrophobicContact CB-CG 3.46Å; N326-F359 VanDerWaalsContact CB-CG 3.46Å; N326-F359 HydrophobicContact CB-CZ 3.89Å; F352-F359 HydrophobicContact CB-CD2 4.16Å; F352-F359 HydrophobicContact CB-CE2 4.36Å; F352-F359 HydrophobicContact CD2-CD2 4.08Å; F352-F359 AromaticContact CD2-CE2 3.49Å; F352-F359 HydrophobicContact CD2-CE2 3.49Å; F352-F359 VanDerWaalsContact CD2-CE2 3.49Å; F352-F359 HydrophobicContact CD2-CZ 4.48Å; F352-F359 AromaticContact CE2-CE2 3.93Å; F352-F359 HydrophobicContact CE2-CE2 3.93Å; F352-F359 HydrophobicContact CG-CD2 4.07Å; F352-F359 AromaticContact CG-CE2 3.97Å; F352-F359 HydrophobicContact CG-CE2 3.97Å; L354-F359 HydrophobicContact CB-CB 4.33Å; L354-F359 HydrophobicContact CD1-CB 4.47Å; D355-F359 PolarHBondContact O-N 2.92Å; K357-F359 VanDerWaalsContact C-N 3.3Å; K357-F359 PolarHBondContact O-N 3.02Å; F359-P363 HydrophobicContact CD2-CB 3.97Å; F359-P363 HydrophobicContact CD2-CG 3.99Å; F359-P363 HydrophobicContact CE2-CB 3.93Å; F359-P363 HydrophobicContact CE2-CG 4.38Å; F359-P363 WeakPolarHBondContact O-CD 3.48Å; F359-V364 HydrophobicContact CD1-CG2 3.8Å; F359-V364 HydrophobicContact CE1-CG2 3.55Å; F359-V364 HydrophobicContact CE2-CG2 4.31Å; F359-V364 HydrophobicContact CG-CG2 4.32Å; F359-V364 HydrophobicContact CZ-CG2 3.83Å; F359-V364 VanDerWaalsContact O-CG2 3.3Å; F359-V364 WeakPolarHBondContact O-CG2 3.44Å; F359-V364 PolarHBondContact O-N 3.47Å; F359-V364 VanDerWaalsContact O-N 3.1Å
360	L	98.4	Very high	96.6	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.255	C	S	.	.	I	π-helix	trans	-65	-40.2	176.6	-73.6	167.5	0	0	0	112.3	V305 G356 K357 D358 V364 K365 I384 M386 F395 A398 F399	V305-L360 HydrophobicContact CG1-CD1 4.39Å; V305-L360 HydrophobicContact CG1-CG 4.36Å; V305-L360 HydrophobicContact CG2-CD2 3.94Å; V305-L360 HydrophobicContact CG2-CG 4.35Å; G356-L360 WeakPolarHBondContact O-CB 3.32Å; G356-L360 WeakPolarHBondContact O-CD1 3.37Å; G356-L360 WeakPolarHBondContact O-CG 3.38Å; G356-L360 PolarHBondContact O-N 2.81Å; G356-L360 VanDerWaalsContact O-N 3.07Å; K357-L360 WeakPolarHBondContact O-CB 3.35Å; K357-L360 PolarHBondContact O-N 3.23Å; D358-L360 PolarHBondContact O-N 3.09Å; L360-V364 HydrophobicContact CD2-CG1 4.34Å; L360-V364 HydrophobicContact CD2-CG2 4.25Å; L360-V364 WeakPolarHBondContact O-CB 3.45Å; L360-K365 PolarHBondContact O-N 2.84Å; L360-I384 HydrophobicContact CD2-CG2 4.28Å; L360-M386 HydrophobicContact CD1-CE 4.38Å; L360-F395 HydrophobicContact CD1-CB 4.35Å; L360-A398 HydrophobicContact CB-CB 4.06Å; L360-A398 HydrophobicContact CD1-CB 3.86Å; L360-F399 HydrophobicContact CD1-CZ 4.38Å; L360-F399 HydrophobicContact CD2-CE1 3.68Å; L360-F399 HydrophobicContact CD2-CZ 3.7Å
361	Q	97.3	Very high	96	Very high	86 Å²	86	48.2 Å²	48.2	40%	0.402	24%	0.24	S	C	.	.	I	π-helix	trans	-86	-17.9	-175	-67	-174	-42.7	0	0	114.3	K357 D358 K365 A398 L402	K357-Q361 HydrophobicContact CG-CG 4.45Å; K357-Q361 WeakPolarHBondContact O-CB 3.42Å; K357-Q361 WeakPolarHBondContact O-CG 3.04Å; K357-Q361 PolarHBondContact O-N 2.92Å; D358-Q361 PolarHBondContact O-N 3.15Å; Q361-K365 WeakPolarHBondContact O-CB 3.44Å; Q361-K365 WeakPolarHBondContact O-CD 3.5Å; Q361-A398 HydrophobicContact CG-CB 4.37Å; Q361-L402 HydrophobicContact CG-CD1 4.15Å
362	G	97.9	Very high	95.1	Very high	19 Å²	19	47.4 Å²	47.4	20%	0.196	24%	0.236	C	C	.	.	I	π-helix	trans	-104.7	-97.8	173.9	0	0	0	0	0	111.9	D358 V364 K365 E366	D358-G362 PolarHBondContact O-N 2.73Å; G362-V364 VanDerWaalsContact C-N 3.29Å; G362-V364 PolarHBondContact O-N 2.62Å; G362-V364 VanDerWaalsContact O-N 3.11Å; G362-K365 WeakPolarHBondContact O-CB 3.48Å; G362-K365 PolarHBondContact O-N 2.99Å; G362-E366 WeakPolarHBondContact O-CG 3.39Å; G362-E366 PolarHBondContact O-N 2.89Å
363	P	98.1	Very high	94	Very high	17 Å²	17	49 Å²	49	11%	0.11	25%	0.253	C	S	.	.	I	π-helix	trans	-50.5	-40.8	-172.8	-30.1	34.6	0	0	0	115.5	F352 L354 F359 E367	F352-P363 HydrophobicContact CD1-CB 4.44Å; F352-P363 HydrophobicContact CD1-CG 3.81Å; F352-P363 HydrophobicContact CE1-CB 3.91Å; F352-P363 HydrophobicContact CE1-CG 3.56Å; F352-P363 HydrophobicContact CE2-CB 4.33Å; F352-P363 HydrophobicContact CG-CG 4.47Å; F352-P363 HydrophobicContact CZ-CB 3.85Å; F352-P363 HydrophobicContact CZ-CG 4.04Å; L354-P363 HydrophobicContact CD1-CG 4.2Å; F359-P363 HydrophobicContact CD2-CB 3.97Å; F359-P363 HydrophobicContact CD2-CG 3.99Å; F359-P363 HydrophobicContact CE2-CB 3.93Å; F359-P363 HydrophobicContact CE2-CG 4.38Å; F359-P363 WeakPolarHBondContact O-CD 3.48Å; P363-E367 WeakPolarHBondContact O-CB 2.83Å; P363-E367 PolarHBondContact O-N 2.89Å
364	V	97.6	Very high	92.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.261	C	S	.	.	I	π-helix	trans	-69.4	-47.2	178.4	176.7	0	0	0	0	110.7	F303 F359 L360 G362 E366 E367 L368 I384	F303-V364 HydrophobicContact CB-CG2 4.17Å; F303-V364 HydrophobicContact CD1-CB 4.18Å; F303-V364 HydrophobicContact CD1-CG1 4.23Å; F303-V364 HydrophobicContact CD1-CG2 3.53Å; F303-V364 HydrophobicContact CD2-CG1 4.19Å; F303-V364 HydrophobicContact CE1-CB 4.27Å; F303-V364 HydrophobicContact CE1-CG1 4.34Å; F303-V364 HydrophobicContact CE1-CG2 4.06Å; F303-V364 HydrophobicContact CE2-CG1 4.26Å; F303-V364 HydrophobicContact CG-CG1 4.16Å; F303-V364 HydrophobicContact CG-CG2 3.92Å; F303-V364 HydrophobicContact CZ-CG1 4.34Å; F359-V364 HydrophobicContact CD1-CG2 3.8Å; F359-V364 HydrophobicContact CE1-CG2 3.55Å; F359-V364 HydrophobicContact CE2-CG2 4.31Å; F359-V364 HydrophobicContact CG-CG2 4.32Å; F359-V364 HydrophobicContact CZ-CG2 3.83Å; F359-V364 VanDerWaalsContact O-CG2 3.3Å; F359-V364 WeakPolarHBondContact O-CG2 3.44Å; F359-V364 PolarHBondContact O-N 3.47Å; F359-V364 VanDerWaalsContact O-N 3.1Å; L360-V364 HydrophobicContact CD2-CG1 4.34Å; L360-V364 HydrophobicContact CD2-CG2 4.25Å; L360-V364 WeakPolarHBondContact O-CB 3.45Å; G362-V364 VanDerWaalsContact C-N 3.29Å; G362-V364 PolarHBondContact O-N 2.62Å; G362-V364 VanDerWaalsContact O-N 3.11Å; V364-E366 PolarHBondContact O-N 2.7Å; V364-E367 PolarHBondContact O-N 2.81Å; V364-L368 HydrophobicContact CG1-CD1 3.82Å; V364-L368 HydrophobicContact CG1-CG 4.18Å; V364-L368 WeakPolarHBondContact O-CB 3.24Å; V364-L368 VanDerWaalsContact O-CG 3.23Å; V364-L368 WeakPolarHBondContact O-CG 3.41Å; V364-L368 PolarHBondContact O-N 3.01Å; V364-I384 HydrophobicContact CG1-CD1 4.35Å
365	K	95.8	Very high	90.5	Very high	58 Å²	58	53.6 Å²	53.6	25%	0.252	29%	0.287	S	S	.	.	H	α-helix	trans	-55.8	-49.9	176.7	179.2	178.9	172.9	162.7	0	111.5	L360 Q361 G362 E367 L368 M369 L402 L403	L360-K365 PolarHBondContact O-N 2.84Å; Q361-K365 WeakPolarHBondContact O-CB 3.44Å; Q361-K365 WeakPolarHBondContact O-CD 3.5Å; G362-K365 WeakPolarHBondContact O-CB 3.48Å; G362-K365 PolarHBondContact O-N 2.99Å; K365-E367 PolarHBondContact O-N 2.85Å; K365-L368 PolarHBondContact O-N 3.48Å; K365-M369 HydrophobicContact CG-SD 4.32Å; K365-M369 WeakPolarHBondContact O-CG 3.34Å; K365-M369 PolarHBondContact O-N 3.29Å; K365-L402 HydrophobicContact CB-CD1 3.93Å; K365-L402 HydrophobicContact CB-CG 4.19Å; K365-L402 HydrophobicContact CD-CD1 4.2Å; K365-L402 VanDerWaalsContact CD-O 3.25Å; K365-L402 WeakPolarHBondContact CD-O 3.41Å; K365-L402 WeakPolarHBondContact CE-O 3.4Å; K365-L402 HydrophobicContact CG-CD1 4.21Å; K365-L402 HydrophobicContact CG-CG 4.27Å; K365-L402 PolarHBondContact NZ-O 3.41Å; K365-L403 HydrophobicContact CG-CD2 4.17Å
366	E	95.1	Very high	88.6	Confident	120 Å²	120	58.8 Å²	58.8	56%	0.561	31%	0.307	S	S	*	.	H	α-helix	trans	-59	-47.4	-177.8	-71.1	171.5	-170.2	0	0	111.8	G362 V364 M369 Q370	G362-E366 WeakPolarHBondContact O-CG 3.39Å; G362-E366 PolarHBondContact O-N 2.89Å; V364-E366 PolarHBondContact O-N 2.7Å; E366-M369 PolarHBondContact O-N 3.33Å; E366-Q370 WeakPolarHBondContact O-CG 3.38Å; E366-Q370 PolarHBondContact O-N 2.93Å
367	E	94.4	Very high	86.7	Confident	26 Å²	26	68.7 Å²	68.7	12%	0.121	35%	0.353	C	S	.	.	H	α-helix	trans	-69.7	-39.3	179.1	-173.9	72.5	-166	0	0	111.5	F303 F324 K350 P363 V364 K365 M369 Q370 L371	F303-E367 HydrophobicContact CE1-CB 4.11Å; F303-E367 HydrophobicContact CE1-CG 4.25Å; F303-E367 HydrophobicContact CZ-CB 3.81Å; F303-E367 HydrophobicContact CZ-CG 3.76Å; F324-E367 HydrophobicContact CE1-CB 4.41Å; F324-E367 HydrophobicContact CE2-CB 4.42Å; F324-E367 HydrophobicContact CE2-CG 3.77Å; F324-E367 HydrophobicContact CZ-CB 3.92Å; F324-E367 HydrophobicContact CZ-CG 3.64Å; F324-E367 WeakPolarHBondContact CZ-OE2 3.41Å; K350-E367 IonicContact NZ-OE2 2.8Å; P363-E367 WeakPolarHBondContact O-CB 2.83Å; P363-E367 PolarHBondContact O-N 2.89Å; V364-E367 PolarHBondContact O-N 2.81Å; K365-E367 PolarHBondContact O-N 2.85Å; E367-M369 VanDerWaalsContact C-N 3.34Å; E367-M369 PolarHBondContact O-N 2.87Å; E367-Q370 PolarHBondContact O-N 3.1Å; E367-L371 HydrophobicContact CG-CD1 3.85Å; E367-L371 HydrophobicContact CG-CG 4.24Å; E367-L371 WeakPolarHBondContact O-CG 3.42Å; E367-L371 PolarHBondContact O-N 3.1Å
368	L	92.3	Very high	85.1	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-60.9	-41.6	175.2	-75.8	179.8	0	0	0	112.1	F303 V364 K365 Q370 L371 L372 V382 L402 L403 P414	F303-L368 HydrophobicContact CE2-CD2 4.17Å; F303-L368 HydrophobicContact CE2-CG 4.41Å; V364-L368 HydrophobicContact CG1-CD1 3.82Å; V364-L368 HydrophobicContact CG1-CG 4.18Å; V364-L368 WeakPolarHBondContact O-CB 3.24Å; V364-L368 VanDerWaalsContact O-CG 3.23Å; V364-L368 WeakPolarHBondContact O-CG 3.41Å; V364-L368 PolarHBondContact O-N 3.01Å; K365-L368 PolarHBondContact O-N 3.48Å; L368-Q370 VanDerWaalsContact C-N 3.27Å; L368-Q370 PolarHBondContact O-N 3.11Å; L368-L371 PolarHBondContact O-N 3.25Å; L368-L372 HydrophobicContact CB-CD1 4.37Å; L368-L372 VanDerWaalsContact O-CB 3.26Å; L368-L372 WeakPolarHBondContact O-CB 3.22Å; L368-L372 VanDerWaalsContact O-CG 3.27Å; L368-L372 WeakPolarHBondContact O-CG 3.2Å; L368-L372 PolarHBondContact O-N 2.68Å; L368-V382 HydrophobicContact CD2-CG1 3.93Å; L368-L402 HydrophobicContact CD1-CD2 4.17Å; L368-L403 HydrophobicContact CB-CD1 4.41Å; L368-L403 HydrophobicContact CB-CD2 4.16Å; L368-P414 HydrophobicContact CD1-CG 4.11Å; L368-P414 HydrophobicContact CD2-CG 3.59Å
369	M	89.6	Confident	84.1	Confident	96 Å²	96	72.7 Å²	72.7	47%	0.473	36%	0.36	S	S	.	.	H	α-helix	trans	-59.4	-39.7	175.4	-76.2	-179.1	54.9	0	0	111.8	K365 E366 E367 S373 L403	K365-M369 HydrophobicContact CG-SD 4.32Å; K365-M369 WeakPolarHBondContact O-CG 3.34Å; K365-M369 PolarHBondContact O-N 3.29Å; E366-M369 PolarHBondContact O-N 3.33Å; E367-M369 VanDerWaalsContact C-N 3.34Å; E367-M369 PolarHBondContact O-N 2.87Å; M369-S373 VanDerWaalsContact O-CB 3.26Å; M369-S373 WeakPolarHBondContact O-CB 3.48Å; M369-S373 PolarHBondContact O-N 3.4Å; M369-S373 PolarHBondContact O-OG 3.47Å; M369-L403 HydrophobicContact CG-CD2 3.7Å
370	Q	88.1	Confident	83.6	Confident	116 Å²	116	74.6 Å²	74.6	54%	0.542	37%	0.373	S	S	.	.	H	α-helix	trans	-69.5	-49.9	176.8	-66.3	175.2	24.3	0	0	111.3	E366 E367 L368 L372 S373 L374	E366-Q370 WeakPolarHBondContact O-CG 3.38Å; E366-Q370 PolarHBondContact O-N 2.93Å; E367-Q370 PolarHBondContact O-N 3.1Å; L368-Q370 VanDerWaalsContact C-N 3.27Å; L368-Q370 PolarHBondContact O-N 3.11Å; Q370-L372 PolarHBondContact O-N 2.8Å; Q370-S373 PolarHBondContact O-N 2.85Å; Q370-S373 PolarHBondContact O-OG 2.9Å; Q370-L374 WeakPolarHBondContact O-CG 3.25Å; Q370-L374 PolarHBondContact O-N 2.87Å
371	L	86.8	Confident	83.3	Confident	22 Å²	22	76.5 Å²	76.5	12%	0.115	39%	0.386	C	S	.	.	H	α-helix	trans	-64.6	-38.8	-176.6	-68.5	172.2	0	0	0	112.9	V301 E367 L368 P380 V382	V301-L371 HydrophobicContact CB-CD1 4.37Å; V301-L371 HydrophobicContact CG1-CD1 4.3Å; V301-L371 HydrophobicContact CG2-CD1 3.84Å; E367-L371 HydrophobicContact CG-CD1 3.85Å; E367-L371 HydrophobicContact CG-CG 4.24Å; E367-L371 WeakPolarHBondContact O-CG 3.42Å; E367-L371 PolarHBondContact O-N 3.1Å; L368-L371 PolarHBondContact O-N 3.25Å; L371-P380 HydrophobicContact CD2-CG 4.11Å; L371-V382 HydrophobicContact CD1-CG2 4.07Å
372	L	79.9	Confident	83.3	Confident	16 Å²	16	72.8 Å²	72.8	8%	0.084	37%	0.369	C	S	.	.	H	α-helix	trans	-81	-24.9	-175.3	-65	170.9	0	0	0	112.8	L368 Q370 K379 L403 F412	L368-L372 HydrophobicContact CB-CD1 4.37Å; L368-L372 VanDerWaalsContact O-CB 3.26Å; L368-L372 WeakPolarHBondContact O-CB 3.22Å; L368-L372 VanDerWaalsContact O-CG 3.27Å; L368-L372 WeakPolarHBondContact O-CG 3.2Å; L368-L372 PolarHBondContact O-N 2.68Å; Q370-L372 PolarHBondContact O-N 2.8Å; L372-K379 PolarHBondContact O-NZ 3.41Å; L372-L403 HydrophobicContact CD1-CD1 3.47Å; L372-L403 VanDerWaalsContact CD1-CD1 3.47Å; L372-F412 WeakPolarHBondContact CD2-O 3.35Å
373	S	74.8	Confident	83.3	Confident	85 Å²	85	72.3 Å²	72.3	59%	0.594	36%	0.362	S	S	*	.	H	α-helix	trans	-77.8	-15.4	175	57.9	0	0	0	0	114.1	M369 Q370 S375	M369-S373 VanDerWaalsContact O-CB 3.26Å; M369-S373 WeakPolarHBondContact O-CB 3.48Å; M369-S373 PolarHBondContact O-N 3.4Å; M369-S373 PolarHBondContact O-OG 3.47Å; Q370-S373 PolarHBondContact O-N 2.85Å; Q370-S373 PolarHBondContact O-OG 2.9Å; S373-S375 PolarHBondContact O-N 2.8Å
374	L	67.7	Low	83.3	Confident	97 Å²	97	71.5 Å²	71.5	51%	0.508	36%	0.357	S	S	.	.			trans	-68	131.3	176.9	-68.5	168.2	0	0	0	111.6	Q370 K379	Q370-L374 WeakPolarHBondContact O-CG 3.25Å; Q370-L374 PolarHBondContact O-N 2.87Å; L374-K379 WeakPolarHBondContact O-CE 3.24Å; L374-K379 PolarHBondContact O-NZ 3.23Å
375	S	55.7	Low	83.4	Confident	124 Å²	124	71.5 Å²	71.5	87%	0.867	36%	0.357	S	S	*	.			trans	-89.4	9.5	-176.4	57.9	0	0	0	0	115.2	S373	S373-S375 PolarHBondContact O-N 2.8Å
376	K	58.8	Low	83.5	Confident	167 Å²	167	68.8 Å²	68.8	73%	0.726	35%	0.345	S	S	*	.			trans	-82.8	148.1	-169.9	-75.5	-174.3	176.6	179.3	0	114.1	R378	K376-R378 PolarHBondContact O-N 3.39Å
377	E	57.4	Low	83.7	Confident	208 Å²	208	64.2 Å²	64.2	97%	0.972	32%	0.324	S	S	*	.	S	Bend	trans	-54.3	-1.5	-179.7	-64.6	177	161.2	0	0	116.4
378	R	64.6	Low	83.8	Confident	232 Å²	232	64.3 Å²	64.3	88%	0.875	33%	0.325	S	S	*	.			trans	-153.1	97.4	175.4	-151.6	172.3	-174.3	173.1	2.6	111.3	K376	K376-R378 PolarHBondContact O-N 3.39Å
379	K	76.9	Confident	84	Confident	37 Å²	37	64.8 Å²	64.8	16%	0.161	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-80.9	136.7	172.1	-70.1	-176.3	176.4	-174.5	0	109.9	L372 L374 F412	L372-K379 PolarHBondContact O-NZ 3.41Å; L374-K379 WeakPolarHBondContact O-CE 3.24Å; L374-K379 PolarHBondContact O-NZ 3.23Å; K379-F412 HydrophobicContact CB-CB 4.3Å; K379-F412 HydrophobicContact CB-CD1 3.74Å; K379-F412 HydrophobicContact CB-CE1 4.18Å; K379-F412 HydrophobicContact CB-CG 3.94Å; K379-F412 HydrophobicContact CD-CB 3.98Å; K379-F412 HydrophobicContact CD-CD2 4Å; K379-F412 HydrophobicContact CD-CG 3.94Å; K379-F412 HydrophobicContact CG-CG 4.43Å
380	P	88.2	Confident	84.2	Confident	41 Å²	41	63.1 Å²	63.1	27%	0.266	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-65.5	149.5	174.6	29.6	-34.7	0	0	0	110.4	G299 V301 L371	G299-P380 WeakPolarHBondContact O-CB 3.33Å; V301-P380 HydrophobicContact CG2-CB 4.28Å; V301-P380 HydrophobicContact CG2-CG 4.12Å; L371-P380 HydrophobicContact CD2-CG 4.11Å
381	S	93.2	Very high	84.5	Confident	40 Å²	40	62.2 Å²	62.2	28%	0.28	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-69.7	136.9	170.1	-170.8	0	0	0	0	108.9	D300 V301 H383	D300-S381 WeakPolarHBondContact CA-O 3.48Å; D300-S381 WeakPolarHBondContact CB-O 3.38Å; D300-S381 WeakPolarHBondContact OD1-CB 3.25Å; D300-S381 PolarHBondContact OD1-N 3.03Å; V301-S381 PolarHBondContact N-O 3.36Å; S381-H383 PolarHBondContact OG-CD2 3.24Å; S381-H383 PolarHBondContact OG-NE2 2.71Å
382	V	96.1	Very high	85.1	Confident	8 Å²	8	61.2 Å²	61.2	5%	0.048	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.9	177.7	-178	0	0	0	0	109.1	V301 F303 L368 L371 P414 I415	V301-V382 HydrophobicContact CB-CG2 4.3Å; F303-V382 HydrophobicContact CD2-CG1 3.78Å; F303-V382 HydrophobicContact CE2-CG1 3.55Å; L368-V382 HydrophobicContact CD2-CG1 3.93Å; L371-V382 HydrophobicContact CD1-CG2 4.07Å; V382-P414 HydrophobicContact CB-CB 4.25Å; V382-P414 HydrophobicContact CB-CG 4.44Å; V382-P414 HydrophobicContact CG1-CB 4Å; V382-P414 HydrophobicContact CG1-CG 4.24Å; V382-P414 WeakPolarHBondContact O-CA 3.27Å; V382-I415 PolarHBondContact O-N 3.14Å
383	H	98.4	Very high	85.9	Confident	9 Å²	9	61.1 Å²	61.1	4%	0.042	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.6	177.4	-67.5	-103	0	0	0	110.2	L296 V301 L302 F303 S381 I415 H417	L296-H383 HydrophobicContact CD2-CB 4.06Å; L296-H383 HydrophobicContact CG-CB 4.41Å; V301-H383 PolarHBondContact O-N 3.19Å; L302-H383 CarbonylContact C-O 3.58Å; L302-H383 WeakPolarHBondContact CA-O 3.34Å; L302-H383 HydrophobicContact CD1-CB 4.25Å; F303-H383 PolarHBondContact N-O 2.7Å; S381-H383 PolarHBondContact OG-CD2 3.24Å; S381-H383 PolarHBondContact OG-NE2 2.71Å; H383-I415 CarbonylContact C-O 3.56Å; H383-I415 WeakPolarHBondContact CA-O 3.41Å; H383-H417 AromaticContact CE1-NE2 3.88Å; H383-H417 AromaticContact CG-NE2 3.94Å; H383-H417 AromaticContact ND1-CD2 3.89Å; H383-H417 AromaticContact ND1-CE1 3.95Å; H383-H417 AromaticContact ND1-NE2 2.95Å; H383-H417 PolarHBondContact ND1-NE2 3.16Å
384	I	98.8	Very high	87	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.4	174.5	-51.6	-179.4	0	0	0	108.1	F303 V305 L360 V364 M386 F399 P414 I415 V416 H417 I468	F303-I384 HydrophobicContact CB-CG1 4.21Å; F303-I384 HydrophobicContact CB-CG2 4.26Å; F303-I384 HydrophobicContact CD2-CG1 3.99Å; F303-I384 CarbonylContact O-C 3.56Å; F303-I384 WeakPolarHBondContact O-CA 3.14Å; V305-I384 HydrophobicContact CG2-CG2 3.76Å; L360-I384 HydrophobicContact CD2-CG2 4.28Å; V364-I384 HydrophobicContact CG1-CD1 4.35Å; I384-M386 HydrophobicContact CG2-CG 4.24Å; I384-F399 HydrophobicContact CD1-CE1 3.59Å; I384-F399 HydrophobicContact CD1-CZ 3.93Å; I384-F399 HydrophobicContact CG2-CZ 4.15Å; I384-P414 HydrophobicContact CD1-CB 3.87Å; I384-P414 HydrophobicContact CG1-CB 4.22Å; I384-I415 PolarHBondContact N-O 3.04Å; I384-V416 HydrophobicContact CB-CG2 4.22Å; I384-V416 HydrophobicContact CD1-CG2 4.42Å; I384-V416 CarbonylContact O-C 3.54Å; I384-V416 WeakPolarHBondContact O-CA 3.24Å; I384-H417 PolarHBondContact O-N 3.3Å; I384-I468 HydrophobicContact CD1-CD1 4.28Å
385	V	98.8	Very high	88.5	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.4	-179.2	176.1	0	0	0	0	109.4	I292 L302 F303 V305 F312 H417 Y419	I292-V385 HydrophobicContact CG2-CG2 3.7Å; L302-V385 HydrophobicContact CD1-CB 4.26Å; L302-V385 HydrophobicContact CD1-CG2 3.61Å; F303-V385 PolarHBondContact O-N 3.05Å; V305-V385 PolarHBondContact N-O 2.91Å; F312-V385 HydrophobicContact CD1-CG1 4.44Å; F312-V385 HydrophobicContact CD2-CG1 3.97Å; F312-V385 HydrophobicContact CE1-CG1 4.38Å; F312-V385 HydrophobicContact CE2-CG1 3.91Å; F312-V385 HydrophobicContact CG-CG1 4.24Å; F312-V385 HydrophobicContact CZ-CG1 4.11Å; V385-H417 HydrophobicContact CG2-CB 4.26Å; V385-Y419 HydrophobicContact CG1-CE2 4.13Å
386	M	98.7	Very high	90.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	70.2	-176.7	-61.4	173.4	70.8	0	0	110.5	V305 F306 L360 I384 L388 A392 F395 L396 F399 V416 H417 Y419	V305-M386 HydrophobicContact CB-CG 4.2Å; V305-M386 HydrophobicContact CG2-CG 3.84Å; F306-M386 HydrophobicContact CD2-CB 4.28Å; F306-M386 HydrophobicContact CE2-CB 4.02Å; F306-M386 HydrophobicContact CE2-CE 4.44Å; F306-M386 HydrophobicContact CE2-CG 4.47Å; L360-M386 HydrophobicContact CD1-CE 4.38Å; I384-M386 HydrophobicContact CG2-CG 4.24Å; M386-L388 PolarHBondContact O-N 2.89Å; M386-A392 HydrophobicContact CB-CB 4.02Å; M386-A392 VanDerWaalsContact CE-O 3.23Å; M386-A392 WeakPolarHBondContact CE-O 3.2Å; M386-A392 VanDerWaalsContact O-CB 3.32Å; M386-A392 WeakPolarHBondContact O-CB 3.28Å; M386-F395 HydrophobicContact CE-CB 3.28Å; M386-F395 HydrophobicContact CE-CG 4.38Å; M386-L396 HydrophobicContact CE-CD2 4.29Å; M386-L396 HydrophobicContact SD-CD2 3.96Å; M386-F399 HydrophobicContact SD-CE2 3.91Å; M386-F399 HydrophobicContact SD-CZ 4.12Å; M386-V416 HydrophobicContact SD-CG1 4.04Å; M386-H417 PolarHBondContact N-O 2.98Å; M386-Y419 WeakPolarHBondContact O-CD2 3.42Å; M386-Y419 PolarHBondContact O-N 2.68Å
387	N	98.1	Very high	92.3	Very high	24 Å²	24	48 Å²	48	13%	0.128	24%	0.24	C	C	.	.			trans	-81.2	59.2	-177.5	-171	21.5	0	0	0	113.3	F312 Y419	F312-N387 HydrophobicContact CE2-CB 3.84Å; F312-N387 HydrophobicContact CZ-CB 4.46Å; N387-Y419 HydrophobicContact CB-CD2 3.98Å; N387-Y419 HydrophobicContact CB-CE2 4.09Å
388	L	96.8	Very high	94.2	Very high	29 Å²	29	38.2 Å²	38.2	15%	0.152	19%	0.194	C	C	.	.			trans	-127.5	69	175.8	-169.2	73.7	0	0	0	110.5	R248 F306 M386 A390 K391 A392 F395	R248-L388 VanDerWaalsContact NH1-CD1 3.3Å; R248-L388 VanDerWaalsContact NH2-CD1 3.34Å; R248-L388 VanDerWaalsContact NH2-CG 3.26Å; F306-L388 HydrophobicContact CB-CB 4.28Å; F306-L388 HydrophobicContact CD1-CB 4.2Å; F306-L388 HydrophobicContact CD1-CD2 3.89Å; F306-L388 HydrophobicContact CD1-CG 4.42Å; F306-L388 HydrophobicContact CD2-CB 3.32Å; F306-L388 HydrophobicContact CD2-CD2 4.35Å; F306-L388 HydrophobicContact CD2-CG 4.34Å; F306-L388 HydrophobicContact CE1-CB 4.36Å; F306-L388 HydrophobicContact CE1-CD2 3.57Å; F306-L388 HydrophobicContact CE1-CG 4.47Å; F306-L388 HydrophobicContact CE2-CB 3.51Å; F306-L388 HydrophobicContact CE2-CD2 4.04Å; F306-L388 HydrophobicContact CE2-CG 4.38Å; F306-L388 HydrophobicContact CG-CB 3.68Å; F306-L388 HydrophobicContact CG-CD2 4.27Å; F306-L388 HydrophobicContact CG-CG 4.35Å; F306-L388 HydrophobicContact CZ-CB 4.04Å; F306-L388 HydrophobicContact CZ-CD2 3.64Å; F306-L388 HydrophobicContact CZ-CG 4.44Å; M386-L388 PolarHBondContact O-N 2.89Å; L388-A390 VanDerWaalsContact C-N 3.25Å; L388-A390 PolarHBondContact O-N 2.88Å; L388-K391 HydrophobicContact CD2-CB 3.89Å; L388-K391 HydrophobicContact CG-CB 4.32Å; L388-K391 PolarHBondContact O-N 3.22Å; L388-A392 HydrophobicContact CB-CB 4.27Å; L388-A392 WeakPolarHBondContact O-CB 3.45Å; L388-A392 PolarHBondContact O-N 3.38Å; L388-F395 HydrophobicContact CD2-CE2 3.9Å
389	P	96.1	Very high	95.7	Very high	9 Å²	9	27.1 Å²	27.1	6%	0.058	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.4	-156.4	-22.2	31	0	0	0	116.8	Y419 S420 F421 M461	P389-Y419 WeakPolarHBondContact CA-O 3.37Å; P389-S420 CarbonylContact O-C 3.56Å; P389-S420 VanDerWaalsContact O-CA 3.26Å; P389-S420 WeakPolarHBondContact O-CA 3.26Å; P389-F421 HydrophobicContact CB-CD1 4.05Å; P389-F421 HydrophobicContact CB-CD2 3.99Å; P389-F421 HydrophobicContact CB-CE1 3.84Å; P389-F421 HydrophobicContact CB-CE2 3.8Å; P389-F421 HydrophobicContact CB-CG 4.12Å; P389-F421 HydrophobicContact CB-CZ 3.73Å; P389-F421 HydrophobicContact CG-CE1 4.35Å; P389-F421 HydrophobicContact CG-CZ 4.15Å; P389-F421 PolarHBondContact O-N 2.76Å; P389-M461 HydrophobicContact CB-CG 4.45Å; P389-M461 HydrophobicContact CG-CE 3.55Å; P389-M461 HydrophobicContact CG-CG 4.33Å; P389-M461 HydrophobicContact CG-SD 3.98Å
390	A	93.9	Very high	96.6	Very high	61 Å²	61	28.9 Å²	28.9	50%	0.504	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-16.9	174.8	0	0	0	0	0	114.1	R248 L388 F421	R248-A390 VanDerWaalsContact NH2-CB 3.34Å; L388-A390 VanDerWaalsContact C-N 3.25Å; L388-A390 PolarHBondContact O-N 2.88Å; A390-F421 HydrophobicContact CB-CD2 4.16Å; A390-F421 HydrophobicContact CB-CE2 4.17Å
391	K	95.9	Very high	96.8	Very high	98 Å²	98	34.7 Å²	34.7	43%	0.426	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.2	-15.4	-172.1	-67.3	-170	173	-173.4	0	115.1	L388 I393 E394 F395	L388-K391 HydrophobicContact CD2-CB 3.89Å; L388-K391 HydrophobicContact CG-CB 4.32Å; L388-K391 PolarHBondContact O-N 3.22Å; K391-I393 PolarHBondContact O-N 3.49Å; K391-E394 VanDerWaalsContact O-CB 3.31Å; K391-E394 WeakPolarHBondContact O-CB 3.27Å; K391-E394 PolarHBondContact O-N 2.97Å; K391-F395 HydrophobicContact CB-CE2 4.14Å; K391-F395 WeakPolarHBondContact O-CD2 3.14Å
392	A	97.6	Very high	96.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-56.5	-32.4	-169.6	0	0	0	0	0	114	F306 M386 L388 E394 F395 Y419	F306-A392 HydrophobicContact CE2-CB 4.49Å; M386-A392 HydrophobicContact CB-CB 4.02Å; M386-A392 VanDerWaalsContact CE-O 3.23Å; M386-A392 WeakPolarHBondContact CE-O 3.2Å; M386-A392 VanDerWaalsContact O-CB 3.32Å; M386-A392 WeakPolarHBondContact O-CB 3.28Å; L388-A392 HydrophobicContact CB-CB 4.27Å; L388-A392 WeakPolarHBondContact O-CB 3.45Å; L388-A392 PolarHBondContact O-N 3.38Å; A392-E394 VanDerWaalsContact C-N 3.28Å; A392-E394 PolarHBondContact O-N 2.82Å; A392-F395 PolarHBondContact O-N 2.85Å; A392-Y419 WeakPolarHBondContact CB-O 3.23Å
393	I	98	Very high	96.5	Very high	13 Å²	13	33 Å²	33	7%	0.067	16%	0.164	C	C	.	.	H	α-helix	trans	-60.1	-36.3	175	-73.4	-176.4	0	0	0	112.1	K391 F395 L396 V431 R434 A435 V438	K391-I393 PolarHBondContact O-N 3.49Å; I393-F395 VanDerWaalsContact C-N 3.28Å; I393-F395 PolarHBondContact O-N 3.43Å; I393-L396 HydrophobicContact CG1-CD1 4.49Å; I393-L396 HydrophobicContact CG2-CD1 4.47Å; I393-L396 VanDerWaalsContact O-CB 3.23Å; I393-L396 WeakPolarHBondContact O-CB 3.49Å; I393-L396 WeakPolarHBondContact O-CG 3.29Å; I393-L396 PolarHBondContact O-N 3.32Å; I393-L396 VanDerWaalsContact O-N 3.12Å; I393-V431 HydrophobicContact CD1-CG1 4.36Å; I393-R434 HydrophobicContact CD1-CB 3.96Å; I393-R434 HydrophobicContact CG2-CB 4.33Å; I393-A435 HydrophobicContact CD1-CB 4.45Å; I393-V438 HydrophobicContact CG2-CB 4.4Å; I393-V438 HydrophobicContact CG2-CG2 3.72Å; I393-V438 WeakPolarHBondContact O-CG1 3.33Å
394	E	97.7	Very high	95.9	Very high	115 Å²	115	37.3 Å²	37.3	54%	0.537	19%	0.188	S	C	.	.	H	α-helix	trans	-63.1	-36.6	179.4	-61.1	166	-155.1	0	0	111.6	K391 A392 L396 S397	K391-E394 VanDerWaalsContact O-CB 3.31Å; K391-E394 WeakPolarHBondContact O-CB 3.27Å; K391-E394 PolarHBondContact O-N 2.97Å; A392-E394 VanDerWaalsContact C-N 3.28Å; A392-E394 PolarHBondContact O-N 2.82Å; E394-L396 PolarHBondContact O-N 3.06Å; E394-S397 WeakPolarHBondContact O-CB 3.32Å; E394-S397 PolarHBondContact O-N 2.71Å; E394-S397 PolarHBondContact O-OG 2.8Å
395	F	98.2	Very high	94.9	Very high	29 Å²	29	38.4 Å²	38.4	13%	0.127	20%	0.199	C	C	.	.	H	α-helix	trans	-70.8	-13.9	178.6	-71.7	-92.3	0	0	0	113.2	F306 K357 L360 M386 L388 K391 A392 I393 S397 A398	F306-F395 HydrophobicContact CE1-CE1 4.34Å; F306-F395 HydrophobicContact CE1-CE2 4.24Å; F306-F395 HydrophobicContact CE1-CZ 4.1Å; F306-F395 HydrophobicContact CZ-CD1 4.11Å; F306-F395 AromaticContact CZ-CD2 3.73Å; F306-F395 HydrophobicContact CZ-CD2 3.73Å; F306-F395 HydrophobicContact CZ-CE1 4.18Å; F306-F395 AromaticContact CZ-CE2 3.79Å; F306-F395 HydrophobicContact CZ-CE2 3.79Å; F306-F395 AromaticContact CZ-CG 3.89Å; F306-F395 HydrophobicContact CZ-CG 3.89Å; F306-F395 HydrophobicContact CZ-CZ 4.02Å; K357-F395 HydrophobicContact CB-CD1 4.09Å; K357-F395 HydrophobicContact CB-CE1 4.12Å; L360-F395 HydrophobicContact CD1-CB 4.35Å; M386-F395 HydrophobicContact CE-CB 3.28Å; M386-F395 HydrophobicContact CE-CG 4.38Å; L388-F395 HydrophobicContact CD2-CE2 3.9Å; K391-F395 HydrophobicContact CB-CE2 4.14Å; K391-F395 WeakPolarHBondContact O-CD2 3.14Å; A392-F395 PolarHBondContact O-N 2.85Å; I393-F395 VanDerWaalsContact C-N 3.28Å; I393-F395 PolarHBondContact O-N 3.43Å; F395-S397 PolarHBondContact O-N 2.76Å; F395-A398 VanDerWaalsContact O-CB 3.23Å; F395-A398 WeakPolarHBondContact O-CB 3.45Å; F395-A398 PolarHBondContact O-N 3.47Å
396	L	98.1	Very high	93.6	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-60.6	-25.2	173.8	-64.3	-179.3	0	0	0	112.2	M386 I393 E394 A398 F399 V416 C418 A435 V438 L439 F466	M386-L396 HydrophobicContact CE-CD2 4.29Å; M386-L396 HydrophobicContact SD-CD2 3.96Å; I393-L396 HydrophobicContact CG1-CD1 4.49Å; I393-L396 HydrophobicContact CG2-CD1 4.47Å; I393-L396 VanDerWaalsContact O-CB 3.23Å; I393-L396 WeakPolarHBondContact O-CB 3.49Å; I393-L396 WeakPolarHBondContact O-CG 3.29Å; I393-L396 PolarHBondContact O-N 3.32Å; I393-L396 VanDerWaalsContact O-N 3.12Å; E394-L396 PolarHBondContact O-N 3.06Å; L396-A398 PolarHBondContact O-N 3.06Å; L396-F399 HydrophobicContact CD2-CD2 4.11Å; L396-F399 HydrophobicContact CD2-CE2 3.81Å; L396-F399 WeakPolarHBondContact O-CD2 3.49Å; L396-F399 PolarHBondContact O-N 3.28Å; L396-F399 VanDerWaalsContact O-N 3.16Å; L396-V416 HydrophobicContact CD2-CG1 4.08Å; L396-C418 HydrophobicContact CD2-CB 4.26Å; L396-A435 HydrophobicContact CD1-CB 3.72Å; L396-V438 HydrophobicContact CB-CG1 3.9Å; L396-L439 HydrophobicContact CB-CD2 3.96Å; L396-L439 HydrophobicContact CB-CG 4.26Å; L396-L439 HydrophobicContact CD1-CD1 4.45Å; L396-L439 HydrophobicContact CD1-CG 4.45Å; L396-F466 HydrophobicContact CD1-CZ 4.37Å; L396-F466 HydrophobicContact CD2-CZ 4.03Å
397	S	96.9	Very high	92.4	Very high	54 Å²	54	45.6 Å²	45.6	38%	0.378	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-59.6	-26.2	174.1	61.9	0	0	0	0	113.1	E394 F395 F399 K400	E394-S397 WeakPolarHBondContact O-CB 3.32Å; E394-S397 PolarHBondContact O-N 2.71Å; E394-S397 PolarHBondContact O-OG 2.8Å; F395-S397 PolarHBondContact O-N 2.76Å; S397-F399 PolarHBondContact O-N 2.88Å; S397-K400 WeakPolarHBondContact O-CB 3.3Å; S397-K400 PolarHBondContact O-N 3.33Å; S397-K400 VanDerWaalsContact O-N 3.15Å
398	A	97.2	Very high	90.9	Very high	2 Å²	2	49.1 Å²	49.1	2%	0.017	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-66	-20.5	178.6	0	0	0	0	0	113	K357 L360 Q361 F395 L396 K400	K357-A398 HydrophobicContact CG-CB 4.13Å; L360-A398 HydrophobicContact CB-CB 4.06Å; L360-A398 HydrophobicContact CD1-CB 3.86Å; Q361-A398 HydrophobicContact CG-CB 4.37Å; F395-A398 VanDerWaalsContact O-CB 3.23Å; F395-A398 WeakPolarHBondContact O-CB 3.45Å; F395-A398 PolarHBondContact O-N 3.47Å; L396-A398 PolarHBondContact O-N 3.06Å; A398-K400 VanDerWaalsContact C-N 3.33Å
399	F	96.6	Very high	89.6	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-77.5	-17.6	176.4	-62.5	-61.8	0	0	0	113.4	L360 I384 M386 L396 S397 W401 L402 V416 I468 V472 L473	L360-F399 HydrophobicContact CD1-CZ 4.38Å; L360-F399 HydrophobicContact CD2-CE1 3.68Å; L360-F399 HydrophobicContact CD2-CZ 3.7Å; I384-F399 HydrophobicContact CD1-CE1 3.59Å; I384-F399 HydrophobicContact CD1-CZ 3.93Å; I384-F399 HydrophobicContact CG2-CZ 4.15Å; M386-F399 HydrophobicContact SD-CE2 3.91Å; M386-F399 HydrophobicContact SD-CZ 4.12Å; L396-F399 HydrophobicContact CD2-CD2 4.11Å; L396-F399 HydrophobicContact CD2-CE2 3.81Å; L396-F399 WeakPolarHBondContact O-CD2 3.49Å; L396-F399 PolarHBondContact O-N 3.28Å; L396-F399 VanDerWaalsContact O-N 3.16Å; S397-F399 PolarHBondContact O-N 2.88Å; F399-W401 PolarHBondContact O-N 3.3Å; F399-W401 VanDerWaalsContact O-N 3.15Å; F399-L402 HydrophobicContact CD1-CD2 4.04Å; F399-L402 WeakPolarHBondContact O-CB 3.33Å; F399-L402 PolarHBondContact O-N 2.9Å; F399-V416 HydrophobicContact CE2-CG2 4.07Å; F399-V416 HydrophobicContact CZ-CG2 4.02Å; F399-I468 HydrophobicContact CD1-CD1 3.6Å; F399-I468 HydrophobicContact CD2-CD1 4.32Å; F399-I468 HydrophobicContact CE1-CD1 3.77Å; F399-I468 HydrophobicContact CE2-CD1 4.47Å; F399-I468 HydrophobicContact CG-CD1 3.9Å; F399-I468 HydrophobicContact CZ-CD1 4.22Å; F399-V472 HydrophobicContact CB-CG1 4.42Å; F399-L473 WeakPolarHBondContact O-CA 3.1Å
400	K	94.5	Very high	88.2	Confident	74 Å²	74	54.2 Å²	54.2	32%	0.322	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	117.5	-179.7	-72.5	-175.8	173.8	175.9	0	110.1	S397 A398 L402 V438 L439 V472	S397-K400 WeakPolarHBondContact O-CB 3.3Å; S397-K400 PolarHBondContact O-N 3.33Å; S397-K400 VanDerWaalsContact O-N 3.15Å; A398-K400 VanDerWaalsContact C-N 3.33Å; K400-L402 PolarHBondContact O-N 3.02Å; K400-V438 WeakPolarHBondContact CE-O 3.44Å; K400-V438 PolarHBondContact NZ-O 3.47Å; K400-L439 VanDerWaalsContact CE-C 3.45Å; K400-L439 WeakPolarHBondContact CE-O 3.32Å; K400-V472 CarbonylContact C-O 3.57Å; K400-V472 WeakPolarHBondContact CA-O 3.46Å; K400-V472 HydrophobicContact CG-CG1 4.06Å
401	W	93.1	Very high	87	Confident	163 Å²	163	58.6 Å²	58.6	62%	0.617	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	33.9	178.9	-43.5	-48.2	0	0	0	112.5	F399 L403 V472 L473 K475	F399-W401 PolarHBondContact O-N 3.3Å; F399-W401 VanDerWaalsContact O-N 3.15Å; W401-L403 PolarHBondContact O-N 2.88Å; W401-V472 PolarHBondContact N-O 2.72Å; W401-L473 CarbonylContact C-O 3.54Å; W401-K475 HydrophobicContact CB-CB 4.05Å; W401-K475 HydrophobicContact CB-CG 4.3Å; W401-K475 HydrophobicContact CG-CB 4.41Å; W401-K475 HydrophobicContact CG-CG 4.37Å
402	L	92.9	Very high	86.1	Confident	7 Å²	7	57.8 Å²	57.8	4%	0.037	30%	0.298	C	S	.	.			trans	-62.4	-37.3	179.7	-174.5	63.4	0	0	0	111.2	Q361 K365 L368 F399 K400 L473	Q361-L402 HydrophobicContact CG-CD1 4.15Å; K365-L402 HydrophobicContact CB-CD1 3.93Å; K365-L402 HydrophobicContact CB-CG 4.19Å; K365-L402 HydrophobicContact CD-CD1 4.2Å; K365-L402 VanDerWaalsContact CD-O 3.25Å; K365-L402 WeakPolarHBondContact CD-O 3.41Å; K365-L402 WeakPolarHBondContact CE-O 3.4Å; K365-L402 HydrophobicContact CG-CD1 4.21Å; K365-L402 HydrophobicContact CG-CG 4.27Å; K365-L402 PolarHBondContact NZ-O 3.41Å; L368-L402 HydrophobicContact CD1-CD2 4.17Å; F399-L402 HydrophobicContact CD1-CD2 4.04Å; F399-L402 WeakPolarHBondContact O-CB 3.33Å; F399-L402 PolarHBondContact O-N 2.9Å; K400-L402 PolarHBondContact O-N 3.02Å; L402-L473 HydrophobicContact CB-CD1 3.95Å; L402-L473 HydrophobicContact CD2-CD1 4.09Å; L402-L473 PolarHBondContact N-O 2.57Å
403	L	90.7	Very high	85.8	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.021	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-110.4	143.8	-178.7	-56.5	-177.8	0	0	0	111.7	K365 L368 M369 L372 W401 L473 Y474 K475	K365-L403 HydrophobicContact CG-CD2 4.17Å; L368-L403 HydrophobicContact CB-CD1 4.41Å; L368-L403 HydrophobicContact CB-CD2 4.16Å; M369-L403 HydrophobicContact CG-CD2 3.7Å; L372-L403 HydrophobicContact CD1-CD1 3.47Å; L372-L403 VanDerWaalsContact CD1-CD1 3.47Å; W401-L403 PolarHBondContact O-N 2.88Å; L403-L473 HydrophobicContact CD1-CD1 4.31Å; L403-L473 HydrophobicContact CD1-CD2 3.67Å; L403-L473 HydrophobicContact CD1-CG 3.81Å; L403-L473 HydrophobicContact CG-CD1 4.24Å; L403-L473 HydrophobicContact CG-CD2 4.42Å; L403-L473 HydrophobicContact CG-CG 4.02Å; L403-L473 PolarHBondContact N-O 2.77Å; L403-Y474 HydrophobicContact CB-CD1 3.87Å; L403-Y474 HydrophobicContact CB-CE1 3.85Å; L403-Y474 HydrophobicContact CD1-CE1 4.09Å; L403-Y474 WeakPolarHBondContact O-CA 3.47Å; L403-K475 PolarHBondContact O-N 3.24Å
404	D	85.1	Confident	85.6	Confident	101 Å²	101	57.6 Å²	57.6	54%	0.54	30%	0.296	S	S	.	.			trans	-87.3	154.9	171.6	-62.6	-62.7	0	0	0	110.8
405	G	78	Confident	85.6	Confident	23 Å²	23	54.1 Å²	54.1	24%	0.237	28%	0.281	C	S	.	.	S	Bend	trans	90.6	-155.3	175.7	0	0	0	0	0	114.4
406	Q	71.3	Confident	85.6	Confident	116 Å²	116	52.8 Å²	52.8	54%	0.542	28%	0.275	S	S	.	.			trans	-119.3	149.1	179.6	-70.7	-65.4	-51.3	0	0	110.1	C408	Q406-C408 PolarHBondContact O-N 3.25Å
407	P	72.9	Confident	85.7	Confident	34 Å²	34	52.8 Å²	52.8	22%	0.221	28%	0.276	C	S	.	.			trans	-61.4	128.4	177.7	26.8	-35.6	0	0	0	110.6	S409 A470 Y474	P407-S409 PolarHBondContact O-N 3.19Å; P407-A470 HydrophobicContact CB-CB 4.35Å; P407-A470 HydrophobicContact CG-CB 3.99Å; P407-Y474 HydrophobicContact CB-CD2 4.11Å; P407-Y474 HydrophobicContact CB-CE2 3.66Å; P407-Y474 HydrophobicContact CG-CD2 4.43Å; P407-Y474 HydrophobicContact CG-CE2 4.45Å
408	C	66.9	Low	85.8	Confident	99 Å²	99	50.2 Å²	50.2	67%	0.669	26%	0.258	S	S	*	.	S	Bend	trans	-67.8	-25.3	170.9	-58.5	0	0	0	0	112.3	Q406	Q406-C408 PolarHBondContact O-N 3.25Å
409	S	69.2	Low	85.8	Confident	42 Å²	42	50.2 Å²	50.2	29%	0.294	26%	0.257	S	S	.	.			trans	-163.3	146.8	171.9	169.6	0	0	0	0	109.2	P407 E411	P407-S409 PolarHBondContact O-N 3.19Å; S409-E411 VanDerWaalsContact C-N 3.33Å; S409-E411 PolarHBondContact OG-N 2.88Å
410	N	68.3	Low	85.9	Confident	102 Å²	102	50.4 Å²	50.4	55%	0.545	26%	0.258	S	S	.	.	S	Bend	trans	-83	-8.9	173.1	-71.3	-17.5	0	0	0	112.9	F412 Q467	N410-F412 VanDerWaalsContact C-N 3.35Å; N410-F412 PolarHBondContact O-N 3.05Å; N410-Q467 PolarHBondContact O-NE2 2.99Å
411	E	67.9	Low	86.1	Confident	153 Å²	153	49.1 Å²	49.1	72%	0.715	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-16.1	-175.6	-67.6	-177.2	160.6	0	0	113.8	S409	S409-E411 VanDerWaalsContact C-N 3.33Å; S409-E411 PolarHBondContact OG-N 2.88Å
412	F	78.1	Confident	86.3	Confident	81 Å²	81	41.6 Å²	41.6	36%	0.355	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	28.5	-171.1	-56.8	-76.1	0	0	0	113.6	L372 K379 N410	L372-F412 WeakPolarHBondContact CD2-O 3.35Å; K379-F412 HydrophobicContact CB-CB 4.3Å; K379-F412 HydrophobicContact CB-CD1 3.74Å; K379-F412 HydrophobicContact CB-CE1 4.18Å; K379-F412 HydrophobicContact CB-CG 3.94Å; K379-F412 HydrophobicContact CD-CB 3.98Å; K379-F412 HydrophobicContact CD-CD2 4Å; K379-F412 HydrophobicContact CD-CG 3.94Å; K379-F412 HydrophobicContact CG-CG 4.43Å; N410-F412 VanDerWaalsContact C-N 3.35Å; N410-F412 PolarHBondContact O-N 3.05Å
413	L	90.4	Very high	86.5	Confident	10 Å²	10	49 Å²	49	5%	0.052	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-76.8	152.9	176.4	-56.2	171.2	0	0	0	110.4	Q467 I468 A470 L473 Y474	L413-Q467 HydrophobicContact CB-CG 3.82Å; L413-I468 WeakPolarHBondContact CD1-O 3.48Å; L413-A470 HydrophobicContact CD1-CB 3.86Å; L413-L473 HydrophobicContact CD2-CD2 4.09Å; L413-Y474 HydrophobicContact CD2-CE2 3.92Å
414	P	94.7	Very high	86.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-60.2	142	-177.6	-24.1	35	0	0	0	112.9	L368 V382 I384 Q467 I468	L368-P414 HydrophobicContact CD1-CG 4.11Å; L368-P414 HydrophobicContact CD2-CG 3.59Å; V382-P414 HydrophobicContact CB-CB 4.25Å; V382-P414 HydrophobicContact CB-CG 4.44Å; V382-P414 HydrophobicContact CG1-CB 4Å; V382-P414 HydrophobicContact CG1-CG 4.24Å; V382-P414 WeakPolarHBondContact O-CA 3.27Å; I384-P414 HydrophobicContact CD1-CB 3.87Å; I384-P414 HydrophobicContact CG1-CB 4.22Å; P414-Q467 WeakPolarHBondContact O-CA 3.05Å; P414-I468 HydrophobicContact CB-CD1 4.01Å; P414-I468 HydrophobicContact CG-CD1 4.4Å; P414-I468 PolarHBondContact O-N 3.23Å
415	I	97.4	Very high	87.3	Confident	43 Å²	43	53.2 Å²	53.2	22%	0.221	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	120.7	172.4	-58.2	169.2	0	0	0	108	V382 H383 I384 T465	V382-I415 PolarHBondContact O-N 3.14Å; H383-I415 CarbonylContact C-O 3.56Å; H383-I415 WeakPolarHBondContact CA-O 3.41Å; I384-I415 PolarHBondContact N-O 3.04Å; I415-T465 HydrophobicContact CG2-CG2 3.75Å
416	V	98.5	Very high	88.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.2	178	174.7	0	0	0	0	109.7	I384 M386 L396 F399 C418 T465 F466 I468	I384-V416 HydrophobicContact CB-CG2 4.22Å; I384-V416 HydrophobicContact CD1-CG2 4.42Å; I384-V416 CarbonylContact O-C 3.54Å; I384-V416 WeakPolarHBondContact O-CA 3.24Å; M386-V416 HydrophobicContact SD-CG1 4.04Å; L396-V416 HydrophobicContact CD2-CG1 4.08Å; F399-V416 HydrophobicContact CE2-CG2 4.07Å; F399-V416 HydrophobicContact CZ-CG2 4.02Å; V416-C418 HydrophobicContact CG1-CB 3.94Å; V416-T465 VanDerWaalsContact O-CA 3.25Å; V416-T465 WeakPolarHBondContact O-CA 3.42Å; V416-F466 HydrophobicContact CB-CE1 4.09Å; V416-F466 HydrophobicContact CB-CE2 4.21Å; V416-F466 HydrophobicContact CB-CZ 3.9Å; V416-F466 HydrophobicContact CG1-CE1 3.98Å; V416-F466 HydrophobicContact CG1-CZ 3.92Å; V416-F466 HydrophobicContact CG2-CZ 4.47Å; V416-F466 PolarHBondContact N-O 2.72Å; V416-F466 PolarHBondContact O-N 2.76Å; V416-F466 VanDerWaalsContact O-N 3.1Å; V416-I468 HydrophobicContact CB-CG1 4.45Å; V416-I468 HydrophobicContact CG2-CD1 3.48Å; V416-I468 VanDerWaalsContact CG2-CD1 3.48Å; V416-I468 HydrophobicContact CG2-CG1 3.36Å
417	H	98.8	Very high	89.4	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	92.9	168.6	-54.8	-72.1	0	0	0	108.4	I292 H383 I384 V385 M386 T465	I292-H417 HydrophobicContact CD1-CB 4.14Å; H383-H417 AromaticContact CE1-NE2 3.88Å; H383-H417 AromaticContact CG-NE2 3.94Å; H383-H417 AromaticContact ND1-CD2 3.89Å; H383-H417 AromaticContact ND1-CE1 3.95Å; H383-H417 AromaticContact ND1-NE2 2.95Å; H383-H417 PolarHBondContact ND1-NE2 3.16Å; I384-H417 PolarHBondContact O-N 3.3Å; V385-H417 HydrophobicContact CG2-CB 4.26Å; M386-H417 PolarHBondContact N-O 2.98Å; H417-T465 VanDerWaalsContact CE1-CG2 3.4Å; H417-T465 WeakPolarHBondContact CE1-CG2 3.47Å; H417-T465 VanDerWaalsContact ND1-CG2 3.28Å; H417-T465 WeakPolarHBondContact ND1-CG2 3.49Å; H417-T465 PolarHBondContact ND1-OG1 3.12Å
418	C	98.6	Very high	90.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.1	-176.6	-176.6	0	0	0	0	110.5	L396 V416 C463 I464	L396-C418 HydrophobicContact CD2-CB 4.26Å; V416-C418 HydrophobicContact CG1-CB 3.94Å; C418-C463 CarbonylContact O-C 3.57Å; C418-C463 WeakPolarHBondContact O-CA 2.98Å; C418-I464 HydrophobicContact CB-CG2 3.87Å; C418-I464 PolarHBondContact N-O 3.44Å; C418-I464 WeakPolarHBondContact O-CG2 3.27Å; C418-I464 PolarHBondContact O-N 3.11Å
419	Y	98.6	Very high	92	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	142.1	179.7	-67	-101	0	0	0	110.9	E288 I292 F312 V385 M386 N387 P389 A392 V452 M461 L462 C463	E288-Y419 HydrophobicContact CG-CE1 3.7Å; E288-Y419 VanDerWaalsContact CG-OH 3.31Å; E288-Y419 WeakPolarHBondContact CG-OH 3.32Å; E288-Y419 WeakPolarHBondContact OE1-CE1 3.2Å; E288-Y419 PolarHBondContact OE1-OH 3.01Å; I292-Y419 WeakPolarHBondContact CG1-OH 3.18Å; F312-Y419 HydrophobicContact CZ-CE2 4.47Å; F312-Y419 WeakPolarHBondContact CZ-OH 3.25Å; V385-Y419 HydrophobicContact CG1-CE2 4.13Å; M386-Y419 WeakPolarHBondContact O-CD2 3.42Å; M386-Y419 PolarHBondContact O-N 2.68Å; N387-Y419 HydrophobicContact CB-CD2 3.98Å; N387-Y419 HydrophobicContact CB-CE2 4.09Å; P389-Y419 WeakPolarHBondContact CA-O 3.37Å; A392-Y419 WeakPolarHBondContact CB-O 3.23Å; Y419-V452 HydrophobicContact CD1-CG2 4.02Å; Y419-V452 HydrophobicContact CE1-CG2 3.85Å; Y419-M461 HydrophobicContact CD1-CE 3.39Å; Y419-M461 HydrophobicContact CE1-CE 3.95Å; Y419-M461 HydrophobicContact CG-CE 4.14Å; Y419-L462 CarbonylContact C-O 3.58Å; Y419-L462 VanDerWaalsContact CA-O 3.26Å; Y419-L462 WeakPolarHBondContact CA-O 3.42Å; Y419-C463 HydrophobicContact CD1-CB 3.89Å; Y419-C463 HydrophobicContact CE1-CB 3.75Å; Y419-C463 HydrophobicContact CG-CB 4.45Å
420	S	98.3	Very high	93.4	Very high	4 Å²	4	48 Å²	48	3%	0.028	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	150.3	172.6	-172.5	0	0	0	0	111.8	P389 R434 L462	P389-S420 CarbonylContact O-C 3.56Å; P389-S420 VanDerWaalsContact O-CA 3.26Å; P389-S420 WeakPolarHBondContact O-CA 3.26Å; S420-R434 PolarHBondContact OG-NH1 2.89Å; S420-R434 PolarHBondContact OG-NH2 2.94Å; S420-R434 VanDerWaalsContact OG-NH2 3.09Å; S420-L462 PolarHBondContact N-O 2.92Å; S420-L462 PolarHBondContact O-N 3.26Å
421	F	97.8	Very high	94.8	Very high	48 Å²	48	43.1 Å²	43.1	21%	0.211	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	149.3	158.9	-60.1	-52.6	0	0	0	110.9	P389 A390 R434 V455 K459 E460 M461	P389-F421 HydrophobicContact CB-CD1 4.05Å; P389-F421 HydrophobicContact CB-CD2 3.99Å; P389-F421 HydrophobicContact CB-CE1 3.84Å; P389-F421 HydrophobicContact CB-CE2 3.8Å; P389-F421 HydrophobicContact CB-CG 4.12Å; P389-F421 HydrophobicContact CB-CZ 3.73Å; P389-F421 HydrophobicContact CG-CE1 4.35Å; P389-F421 HydrophobicContact CG-CZ 4.15Å; P389-F421 PolarHBondContact O-N 2.76Å; A390-F421 HydrophobicContact CB-CD2 4.16Å; A390-F421 HydrophobicContact CB-CE2 4.17Å; F421-R434 PolarHBondContact O-NH2 2.88Å; F421-V455 HydrophobicContact CD1-CG2 3.81Å; F421-V455 HydrophobicContact CE1-CG1 4.24Å; F421-V455 HydrophobicContact CE1-CG2 3.62Å; F421-K459 VanDerWaalsContact CG-CE 3.46Å; F421-E460 CarbonylContact C-O 3.57Å; F421-E460 VanDerWaalsContact CA-O 3.23Å; F421-E460 WeakPolarHBondContact CA-O 3.49Å; F421-M461 HydrophobicContact CD1-CB 3.9Å; F421-M461 HydrophobicContact CD1-CG 4.26Å; F421-M461 HydrophobicContact CE1-CB 3.88Å; F421-M461 HydrophobicContact CE1-CG 4.03Å; F421-M461 HydrophobicContact CE1-SD 4.11Å
422	S	97.7	Very high	96.2	Very high	5 Å²	5	38.7 Å²	38.7	4%	0.035	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	148.1	167.2	-175.4	0	0	0	0	110.4	D424 P427 D430 K459 E460	S422-D424 PolarHBondContact OG-N 3.49Å; S422-P427 WeakPolarHBondContact OG-CA 3.46Å; S422-D430 WeakPolarHBondContact CB-OD2 3.34Å; S422-D430 PolarHBondContact OG-OD2 2.82Å; S422-K459 CarbonylContact O-C 3.57Å; S422-K459 WeakPolarHBondContact O-CA 3.45Å; S422-E460 PolarHBondContact N-O 2.99Å; S422-E460 PolarHBondContact O-N 3.31Å
423	K	96.8	Very high	97.1	Very high	161 Å²	161	40.3 Å²	40.3	70%	0.7	22%	0.217	S	C	*	.			trans	-119.6	9	170.5	-62.2	-174.9	177.1	179.6	0	112.4	N458 K459	K423-N458 WeakPolarHBondContact CA-O 3.46Å; K423-N458 VanDerWaalsContact CB-O 3.27Å; K423-N458 WeakPolarHBondContact CB-O 3.18Å; K423-N458 WeakPolarHBondContact CG-O 3.38Å; K423-K459 HydrophobicContact CG-CB 4.08Å; K423-K459 HydrophobicContact CG-CG 4.05Å
424	D	97.3	Very high	97.5	Very high	86 Å²	86	43.8 Å²	43.8	46%	0.46	23%	0.229	S	C	.	.	S	Bend	trans	-72.8	162.3	-175.5	-164.7	-93.4	0	0	0	111.5	S422 N426 P427 D430	S422-D424 PolarHBondContact OG-N 3.49Å; D424-N426 VanDerWaalsContact C-N 3.26Å; D424-N426 PolarHBondContact OD1-N 2.87Å; D424-P427 WeakPolarHBondContact O-CD 3.43Å; D424-P427 VanDerWaalsContact O-CG 3.29Å; D424-P427 WeakPolarHBondContact O-CG 3.46Å; D424-D430 HydrophobicContact CB-CB 3.64Å
425	A	95.5	Very high	97.7	Very high	108 Å²	108	43.8 Å²	43.8	89%	0.893	23%	0.229	S	C	*	.	S	Bend	trans	-68.8	-27	172.8	0	0	0	0	0	112.3	P427	A425-P427 VanDerWaalsContact C-CD 3.48Å; A425-P427 WeakPolarHBondContact O-CD 3.36Å
426	N	96.7	Very high	97.6	Very high	86 Å²	86	42.1 Å²	42.1	46%	0.46	22%	0.222	S	C	.	.	S	Bend	trans	-121	78.8	169.5	-170	-9.8	0	0	0	110.9	D424 A428 E429 D430	D424-N426 VanDerWaalsContact C-N 3.26Å; D424-N426 PolarHBondContact OD1-N 2.87Å; N426-A428 VanDerWaalsContact C-N 3.25Å; N426-A428 PolarHBondContact O-N 2.91Å; N426-A428 VanDerWaalsContact O-N 3.14Å; N426-E429 HydrophobicContact CB-CB 4.12Å; N426-E429 PolarHBondContact O-N 3.34Å; N426-E429 PolarHBondContact OD1-N 3.43Å; N426-D430 PolarHBondContact O-N 2.9Å; N426-D430 VanDerWaalsContact O-N 3.1Å
427	P	96.9	Very high	97.6	Very high	20 Å²	20	45.8 Å²	45.8	13%	0.13	25%	0.253	C	S	.	.	H	α-helix	trans	-55.1	-34.6	-175	-33.5	41.8	0	0	0	115.4	S422 D424 A425 V431 E460 L462	S422-P427 WeakPolarHBondContact OG-CA 3.46Å; D424-P427 WeakPolarHBondContact O-CD 3.43Å; D424-P427 VanDerWaalsContact O-CG 3.29Å; D424-P427 WeakPolarHBondContact O-CG 3.46Å; A425-P427 VanDerWaalsContact C-CD 3.48Å; A425-P427 WeakPolarHBondContact O-CD 3.36Å; P427-V431 WeakPolarHBondContact O-CG2 3.34Å; P427-V431 PolarHBondContact O-N 2.84Å; P427-V431 VanDerWaalsContact O-N 3.16Å; P427-E460 VanDerWaalsContact CB-OE2 3.27Å; P427-E460 WeakPolarHBondContact CB-OE2 3.35Å; P427-E460 HydrophobicContact CG-CG 4.49Å; P427-E460 WeakPolarHBondContact CG-OE2 3.21Å; P427-L462 HydrophobicContact CB-CD1 3.85Å; P427-L462 HydrophobicContact CB-CD2 3.88Å; P427-L462 HydrophobicContact CB-CG 4.5Å
428	A	97.2	Very high	97.5	Very high	30 Å²	30	47.6 Å²	47.6	25%	0.248	26%	0.264	C	S	.	.	H	α-helix	trans	-71.5	-35.3	-180	0	0	0	0	0	112.5	N426 R432 V449 L462	N426-A428 VanDerWaalsContact C-N 3.25Å; N426-A428 PolarHBondContact O-N 2.91Å; N426-A428 VanDerWaalsContact O-N 3.14Å; A428-R432 WeakPolarHBondContact O-CG 3.2Å; A428-R432 PolarHBondContact O-N 3.26Å; A428-R432 PolarHBondContact O-NE 2.83Å; A428-V449 HydrophobicContact CB-CB 4.05Å; A428-V449 HydrophobicContact CB-CG1 3.98Å; A428-V449 HydrophobicContact CB-CG2 4.41Å; A428-L462 HydrophobicContact CB-CD2 4.43Å
429	E	97.3	Very high	97.4	Very high	36 Å²	36	47.9 Å²	47.9	17%	0.168	27%	0.265	C	S	.	.	H	α-helix	trans	-71.5	-47	175.3	-174.3	55.3	-149	0	0	111.3	N426 V431 R432 Q433	N426-E429 HydrophobicContact CB-CB 4.12Å; N426-E429 PolarHBondContact O-N 3.34Å; N426-E429 PolarHBondContact OD1-N 3.43Å; E429-V431 VanDerWaalsContact C-N 3.34Å; E429-V431 PolarHBondContact O-N 3.34Å; E429-R432 WeakPolarHBondContact O-CB 3.12Å; E429-R432 PolarHBondContact O-N 3.13Å; E429-R432 VanDerWaalsContact O-N 3.09Å; E429-R432 IonicContact OE2-CZ 3.1Å; E429-R432 IonicContact OE2-NE 3.86Å; E429-R432 IonicContact OE2-NH1 3.22Å; E429-R432 IonicContact OE2-NH2 3.63Å; E429-R432 PolarHBondContact OE2-NH2 3.18Å; E429-Q433 HydrophobicContact CG-CG 4.36Å; E429-Q433 WeakPolarHBondContact O-CG 3.5Å; E429-Q433 PolarHBondContact O-N 3.24Å; E429-Q433 VanDerWaalsContact OE1-CG 3.31Å; E429-Q433 WeakPolarHBondContact OE1-CG 3.47Å; E429-Q433 PolarHBondContact OE1-NE2 3.36Å
430	D	97.8	Very high	97.3	Very high	32 Å²	32	51 Å²	51	17%	0.171	30%	0.297	C	S	.	.	H	α-helix	trans	-53.6	-48.5	176.4	161.6	57.6	0	0	0	112.3	S422 D424 N426 R432 Q433 R434	S422-D430 WeakPolarHBondContact CB-OD2 3.34Å; S422-D430 PolarHBondContact OG-OD2 2.82Å; D424-D430 HydrophobicContact CB-CB 3.64Å; N426-D430 PolarHBondContact O-N 2.9Å; N426-D430 VanDerWaalsContact O-N 3.1Å; D430-R432 VanDerWaalsContact C-N 3.33Å; D430-R432 PolarHBondContact O-N 2.83Å; D430-Q433 PolarHBondContact O-N 3.2Å; D430-R434 WeakPolarHBondContact O-CG 3.23Å; D430-R434 PolarHBondContact O-N 2.89Å; D430-R434 WeakPolarHBondContact OD1-CD 3.33Å; D430-R434 IonicContact OD1-CZ 3.56Å; D430-R434 IonicContact OD1-NE 3.78Å; D430-R434 PolarHBondContact OD1-NE 2.83Å; D430-R434 IonicContact OD1-NH2 3.76Å; D430-R434 IonicContact OD2-CZ 2.62Å; D430-R434 IonicContact OD2-NE 3.44Å; D430-R434 PolarHBondContact OD2-NE 3.03Å; D430-R434 IonicContact OD2-NH2 3.09Å; D430-R434 PolarHBondContact OD2-NH2 3.2Å
431	V	97.9	Very high	97.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.7	-38.9	179.4	171.7	0	0	0	0	111.6	I393 P427 E429 A435 L462 I464	I393-V431 HydrophobicContact CD1-CG1 4.36Å; P427-V431 WeakPolarHBondContact O-CG2 3.34Å; P427-V431 PolarHBondContact O-N 2.84Å; P427-V431 VanDerWaalsContact O-N 3.16Å; E429-V431 VanDerWaalsContact C-N 3.34Å; E429-V431 PolarHBondContact O-N 3.34Å; V431-A435 VanDerWaalsContact O-CB 3.29Å; V431-A435 WeakPolarHBondContact O-CB 3.22Å; V431-A435 PolarHBondContact O-N 3.31Å; V431-L462 HydrophobicContact CG2-CB 4.33Å; V431-L462 HydrophobicContact CG2-CD1 3.93Å; V431-I464 HydrophobicContact CG1-CB 3.84Å; V431-I464 HydrophobicContact CG1-CG2 3.78Å
432	R	97.8	Very high	96.9	Very high	60 Å²	60	55.1 Å²	55.1	23%	0.226	33%	0.326	C	S	.	.	H	α-helix	trans	-64	-47.2	175.9	-79	-175.6	-70.1	160.3	1.2	111.7	A428 E429 D430 A435 G436 S447 V449 I464	A428-R432 WeakPolarHBondContact O-CG 3.2Å; A428-R432 PolarHBondContact O-N 3.26Å; A428-R432 PolarHBondContact O-NE 2.83Å; E429-R432 WeakPolarHBondContact O-CB 3.12Å; E429-R432 PolarHBondContact O-N 3.13Å; E429-R432 VanDerWaalsContact O-N 3.09Å; E429-R432 IonicContact OE2-CZ 3.1Å; E429-R432 IonicContact OE2-NE 3.86Å; E429-R432 IonicContact OE2-NH1 3.22Å; E429-R432 IonicContact OE2-NH2 3.63Å; E429-R432 PolarHBondContact OE2-NH2 3.18Å; D430-R432 VanDerWaalsContact C-N 3.33Å; D430-R432 PolarHBondContact O-N 2.83Å; R432-A435 PolarHBondContact O-N 2.99Å; R432-G436 PolarHBondContact O-N 2.94Å; R432-S447 WeakPolarHBondContact CD-OG 3.23Å; R432-V449 HydrophobicContact CG-CG2 3.66Å; R432-I464 HydrophobicContact CB-CD1 4.38Å; R432-I464 HydrophobicContact CG-CD1 3.73Å
433	Q	97.7	Very high	96.7	Very high	115 Å²	115	55 Å²	55	54%	0.537	33%	0.325	S	S	.	.	H	α-helix	trans	-63.3	-46.1	-179.9	-70.3	-178.6	2.1	0	0	111.7	E429 D430 A435 G436 A437	E429-Q433 HydrophobicContact CG-CG 4.36Å; E429-Q433 WeakPolarHBondContact O-CG 3.5Å; E429-Q433 PolarHBondContact O-N 3.24Å; E429-Q433 VanDerWaalsContact OE1-CG 3.31Å; E429-Q433 WeakPolarHBondContact OE1-CG 3.47Å; E429-Q433 PolarHBondContact OE1-NE2 3.36Å; D430-Q433 PolarHBondContact O-N 3.2Å; Q433-A435 PolarHBondContact O-N 2.86Å; Q433-G436 PolarHBondContact O-N 3.49Å; Q433-A437 VanDerWaalsContact O-CB 3.26Å; Q433-A437 WeakPolarHBondContact O-CB 3.4Å; Q433-A437 PolarHBondContact O-N 3.22Å
434	R	98.2	Very high	96.3	Very high	84 Å²	84	53 Å²	53	32%	0.317	32%	0.318	S	S	.	.	H	α-helix	trans	-63.8	-42.3	177.7	-73.1	-170.2	-70.8	122.6	-0.7	112.6	I393 S420 F421 D430 V438	I393-R434 HydrophobicContact CD1-CB 3.96Å; I393-R434 HydrophobicContact CG2-CB 4.33Å; S420-R434 PolarHBondContact OG-NH1 2.89Å; S420-R434 PolarHBondContact OG-NH2 2.94Å; S420-R434 VanDerWaalsContact OG-NH2 3.09Å; F421-R434 PolarHBondContact O-NH2 2.88Å; D430-R434 WeakPolarHBondContact O-CG 3.23Å; D430-R434 PolarHBondContact O-N 2.89Å; D430-R434 WeakPolarHBondContact OD1-CD 3.33Å; D430-R434 IonicContact OD1-CZ 3.56Å; D430-R434 IonicContact OD1-NE 3.78Å; D430-R434 PolarHBondContact OD1-NE 2.83Å; D430-R434 IonicContact OD1-NH2 3.76Å; D430-R434 IonicContact OD2-CZ 2.62Å; D430-R434 IonicContact OD2-NE 3.44Å; D430-R434 PolarHBondContact OD2-NE 3.03Å; D430-R434 IonicContact OD2-NH2 3.09Å; D430-R434 PolarHBondContact OD2-NH2 3.2Å; R434-V438 WeakPolarHBondContact O-CG2 3.3Å; R434-V438 PolarHBondContact O-N 2.94Å; R434-V438 VanDerWaalsContact O-N 3.17Å
435	A	98.1	Very high	95.8	Very high	0 Å²	0	54 Å²	54	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-64.4	-45.7	175.9	0	0	0	0	0	111.7	I393 L396 V431 R432 Q433 V438 L439 L443 I464	I393-A435 HydrophobicContact CD1-CB 4.45Å; L396-A435 HydrophobicContact CD1-CB 3.72Å; V431-A435 VanDerWaalsContact O-CB 3.29Å; V431-A435 WeakPolarHBondContact O-CB 3.22Å; V431-A435 PolarHBondContact O-N 3.31Å; R432-A435 PolarHBondContact O-N 2.99Å; Q433-A435 PolarHBondContact O-N 2.86Å; A435-V438 PolarHBondContact O-N 3.38Å; A435-L439 WeakPolarHBondContact O-CG 3.38Å; A435-L439 PolarHBondContact O-N 2.95Å; A435-L443 HydrophobicContact CB-CD1 3.81Å; A435-I464 HydrophobicContact CB-CD1 4.09Å
436	G	97.3	Very high	95.4	Very high	7 Å²	7	52 Å²	52	7%	0.072	32%	0.318	C	S	.	.	H	α-helix	trans	-63.3	-40.5	177.7	0	0	0	0	0	113.1	R432 Q433 V438 L439 G440 I441	R432-G436 PolarHBondContact O-N 2.94Å; Q433-G436 PolarHBondContact O-N 3.49Å; G436-V438 PolarHBondContact O-N 3.44Å; G436-L439 CarbonylContact O-C 3.39Å; G436-L439 PolarHBondContact O-N 3.02Å; G436-G440 WeakPolarHBondContact O-CA 3.43Å; G436-G440 PolarHBondContact O-N 3.45Å; G436-I441 CarbonylContact C-O 3.51Å; G436-I441 WeakPolarHBondContact CA-O 3.38Å; G436-I441 PolarHBondContact O-N 3.44Å; G436-I441 VanDerWaalsContact O-N 3.1Å
437	A	97.6	Very high	95.4	Very high	78 Å²	78	49.1 Å²	49.1	65%	0.645	30%	0.304	S	S	*	.	H	α-helix	trans	-60.8	-44	175.5	0	0	0	0	0	112	Q433 L439 G440	Q433-A437 VanDerWaalsContact O-CB 3.26Å; Q433-A437 WeakPolarHBondContact O-CB 3.4Å; Q433-A437 PolarHBondContact O-N 3.22Å; A437-L439 PolarHBondContact O-N 3.1Å; A437-G440 PolarHBondContact O-N 2.89Å
438	V	97.6	Very high	95.4	Very high	39 Å²	39	51.6 Å²	51.6	24%	0.236	32%	0.322	C	S	.	.	H	α-helix	trans	-64.7	-40.8	175.9	174.3	0	0	0	0	111.1	I393 L396 K400 R434 A435 G436 G440	I393-V438 HydrophobicContact CG2-CB 4.4Å; I393-V438 HydrophobicContact CG2-CG2 3.72Å; I393-V438 WeakPolarHBondContact O-CG1 3.33Å; L396-V438 HydrophobicContact CB-CG1 3.9Å; K400-V438 WeakPolarHBondContact CE-O 3.44Å; K400-V438 PolarHBondContact NZ-O 3.47Å; R434-V438 WeakPolarHBondContact O-CG2 3.3Å; R434-V438 PolarHBondContact O-N 2.94Å; R434-V438 VanDerWaalsContact O-N 3.17Å; A435-V438 PolarHBondContact O-N 3.38Å; G436-V438 PolarHBondContact O-N 3.44Å; V438-G440 VanDerWaalsContact C-N 3.34Å
439	L	96.2	Very high	95.4	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-75	-21.9	179	-66.1	167.2	0	0	0	113.3	L396 K400 A435 G436 A437 I441 L443 F466 V472	L396-L439 HydrophobicContact CB-CD2 3.96Å; L396-L439 HydrophobicContact CB-CG 4.26Å; L396-L439 HydrophobicContact CD1-CD1 4.45Å; L396-L439 HydrophobicContact CD1-CG 4.45Å; K400-L439 VanDerWaalsContact CE-C 3.45Å; K400-L439 WeakPolarHBondContact CE-O 3.32Å; A435-L439 WeakPolarHBondContact O-CG 3.38Å; A435-L439 PolarHBondContact O-N 2.95Å; G436-L439 CarbonylContact O-C 3.39Å; G436-L439 PolarHBondContact O-N 3.02Å; A437-L439 PolarHBondContact O-N 3.1Å; L439-I441 HydrophobicContact CB-CG2 4Å; L439-L443 HydrophobicContact CD1-CD1 3.88Å; L439-L443 HydrophobicContact CD1-CD2 4.1Å; L439-L443 HydrophobicContact CD1-CG 4.29Å; L439-F466 HydrophobicContact CD1-CE2 3.72Å; L439-F466 HydrophobicContact CD1-CZ 3.81Å; L439-V472 HydrophobicContact CB-CG2 4.31Å; L439-V472 HydrophobicContact CD2-CG1 3.83Å
440	G	95.1	Very high	95.5	Very high	65 Å²	65	54.2 Å²	54.2	67%	0.67	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	19	-173.6	0	0	0	0	0	114.2	G436 A437 V438	G436-G440 WeakPolarHBondContact O-CA 3.43Å; G436-G440 PolarHBondContact O-N 3.45Å; A437-G440 PolarHBondContact O-N 2.89Å; V438-G440 VanDerWaalsContact C-N 3.34Å
441	I	93.8	Very high	95.5	Very high	65 Å²	65	56.5 Å²	56.5	33%	0.333	34%	0.344	S	S	.	.	S	Bend	trans	-145.3	145.5	-179.5	-169	170.2	0	0	0	110.5	G436 L439 P469 V472	G436-I441 CarbonylContact C-O 3.51Å; G436-I441 WeakPolarHBondContact CA-O 3.38Å; G436-I441 PolarHBondContact O-N 3.44Å; G436-I441 VanDerWaalsContact O-N 3.1Å; L439-I441 HydrophobicContact CB-CG2 4Å; I441-P469 HydrophobicContact CD1-CB 4.09Å; I441-P469 HydrophobicContact CD1-CG 4.3Å; I441-P469 HydrophobicContact CG2-CG 4.05Å; I441-V472 HydrophobicContact CG2-CG2 3.72Å
442	S	94.3	Very high	95.5	Very high	74 Å²	74	57.8 Å²	57.8	52%	0.517	35%	0.351	S	S	.	.			trans	-69.5	138.1	174.3	-179.4	0	0	0	0	111.4	E444	S442-E444 PolarHBondContact OG-N 2.96Å
443	L	93.6	Very high	95.4	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.01	35%	0.351	C	S	.	.			trans	-105.8	6.2	176.9	-65.8	-177.3	0	0	0	113.2	A435 L439 A445 C446 S447 I464 F466 P469	A435-L443 HydrophobicContact CB-CD1 3.81Å; L439-L443 HydrophobicContact CD1-CD1 3.88Å; L439-L443 HydrophobicContact CD1-CD2 4.1Å; L439-L443 HydrophobicContact CD1-CG 4.29Å; L443-A445 VanDerWaalsContact C-N 3.34Å; L443-A445 PolarHBondContact O-N 2.89Å; L443-C446 PolarHBondContact O-N 3.13Å; L443-S447 VanDerWaalsContact O-CB 3.3Å; L443-S447 WeakPolarHBondContact O-CB 3.39Å; L443-S447 PolarHBondContact O-N 2.9Å; L443-S447 VanDerWaalsContact O-N 3.11Å; L443-S447 PolarHBondContact O-OG 3.23Å; L443-I464 HydrophobicContact CD1-CD1 3.84Å; L443-F466 HydrophobicContact CD1-CD1 4.03Å; L443-F466 HydrophobicContact CD1-CD2 4.36Å; L443-F466 HydrophobicContact CD1-CE1 4.11Å; L443-F466 HydrophobicContact CD1-CE2 4.44Å; L443-F466 HydrophobicContact CD1-CG 4.16Å; L443-F466 HydrophobicContact CD1-CZ 4.31Å; L443-F466 HydrophobicContact CD2-CD2 4.03Å; L443-F466 HydrophobicContact CD2-CE2 4.47Å; L443-F466 HydrophobicContact CD2-CG 4.3Å; L443-P469 HydrophobicContact CD2-CG 4.45Å
444	E	89.2	Confident	95.3	Very high	119 Å²	119	57.3 Å²	57.3	56%	0.556	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-42.7	-172.3	-76.3	172.9	-147.8	0	0	113.6	S442	S442-E444 PolarHBondContact OG-N 2.96Å
445	A	86.6	Confident	94.8	Very high	109 Å²	109	55.4 Å²	55.4	90%	0.901	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-11.1	-175.7	0	0	0	0	0	114.3	L443	L443-A445 VanDerWaalsContact C-N 3.34Å; L443-A445 PolarHBondContact O-N 2.89Å
446	C	87.4	Confident	94.3	Very high	66 Å²	66	57.8 Å²	57.8	45%	0.446	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.6	14.1	-168.5	63.2	0	0	0	0	114.3	L443 F466	L443-C446 PolarHBondContact O-N 3.13Å; C446-F466 WeakPolarHBondContact O-CB 3.31Å
447	S	95.3	Very high	93.7	Very high	25 Å²	25	63.3 Å²	63.3	18%	0.175	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	153.2	176	68.1	0	0	0	0	112.7	R432 L443 T465	R432-S447 WeakPolarHBondContact CD-OG 3.23Å; L443-S447 VanDerWaalsContact O-CB 3.3Å; L443-S447 WeakPolarHBondContact O-CB 3.39Å; L443-S447 PolarHBondContact O-N 2.9Å; L443-S447 VanDerWaalsContact O-N 3.11Å; L443-S447 PolarHBondContact O-OG 3.23Å; S447-T465 CarbonylContact C-O 3.6Å; S447-T465 WeakPolarHBondContact CA-O 3.2Å
448	S	97.6	Very high	93.4	Very high	72 Å²	72	66.4 Å²	66.4	50%	0.503	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	143.2	167	59.4	0	0	0	0	109	I464 T465	S448-I464 CarbonylContact O-C 3.53Å; S448-I464 WeakPolarHBondContact O-CA 3.35Å; S448-T465 PolarHBondContact N-O 3Å; S448-T465 PolarHBondContact O-N 3.48Å; S448-T465 PolarHBondContact OG-O 3.5Å
449	V	98.1	Very high	93.3	Very high	43 Å²	43	67.3 Å²	67.3	26%	0.261	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.2	177.5	-173.4	0	0	0	0	109.5	A428 R432 L462 I464	A428-V449 HydrophobicContact CB-CB 4.05Å; A428-V449 HydrophobicContact CB-CG1 3.98Å; A428-V449 HydrophobicContact CB-CG2 4.41Å; R432-V449 HydrophobicContact CG-CG2 3.66Å; V449-L462 HydrophobicContact CG1-CB 3.93Å; V449-L462 HydrophobicContact CG1-CD2 3.6Å; V449-L462 HydrophobicContact CG1-CG 4.41Å; V449-I464 HydrophobicContact CG2-CB 4.27Å; V449-I464 HydrophobicContact CG2-CD1 4.48Å; V449-I464 HydrophobicContact CG2-CG1 4.07Å
450	H	98.2	Very high	93.3	Very high	77 Å²	77	69.6 Å²	69.6	36%	0.356	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.8	177.6	-177.7	65.5	0	0	0	110.4	E288 R291 V452 L462 C463	E288-H450 IonicContact OE2-CD2 2.85Å; E288-H450 IonicContact OE2-NE2 3.99Å; R291-H450 PolarHBondContact NE-CD2 3.27Å; R291-H450 VanDerWaalsContact NE-CD2 3.31Å; H450-V452 PolarHBondContact O-N 3.3Å; H450-L462 CarbonylContact O-C 3.57Å; H450-L462 VanDerWaalsContact O-CA 3.24Å; H450-L462 WeakPolarHBondContact O-CA 3.15Å; H450-C463 PolarHBondContact N-O 3.36Å; H450-C463 PolarHBondContact O-N 3.19Å
451	L	98.1	Very high	93.5	Very high	81 Å²	81	66.6 Å²	66.6	42%	0.424	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	110.6	168.7	174.6	62.2	0	0	0	109	E460	L451-E460 HydrophobicContact CD1-CB 3.79Å; L451-E460 HydrophobicContact CD1-CG 3.97Å
452	V	97.9	Very high	93.7	Very high	26 Å²	26	63.7 Å²	63.7	16%	0.158	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-51.4	-179.4	-179.3	0	0	0	0	110.2	L285 E288 Y419 H450 M461 C463	L285-V452 HydrophobicContact CD2-CG1 3.88Å; E288-V452 HydrophobicContact CB-CG1 3.9Å; E288-V452 HydrophobicContact CG-CG1 3.76Å; E288-V452 HydrophobicContact CG-CG2 4.28Å; Y419-V452 HydrophobicContact CD1-CG2 4.02Å; Y419-V452 HydrophobicContact CE1-CG2 3.85Å; H450-V452 PolarHBondContact O-N 3.3Å; V452-M461 WeakPolarHBondContact CA-O 3.46Å; V452-M461 HydrophobicContact CB-CB 4.38Å; V452-M461 HydrophobicContact CB-CG 4.08Å; V452-M461 VanDerWaalsContact CB-O 3.31Å; V452-M461 WeakPolarHBondContact CB-O 3.45Å; V452-M461 HydrophobicContact CG1-CE 4.24Å; V452-M461 HydrophobicContact CG1-CG 4.44Å; V452-M461 HydrophobicContact CG1-SD 4.35Å; V452-M461 HydrophobicContact CG2-CG 4.42Å; V452-M461 PolarHBondContact N-O 2.94Å; V452-C463 HydrophobicContact CG2-CB 3.92Å
453	R	95.8	Very high	93.9	Very high	57 Å²	57	60.2 Å²	60.2	22%	0.215	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	161.3	178.2	66.4	-176.2	-152.4	92.4	-1.9	113	V455 M461	R453-V455 HydrophobicContact CG-CG2 4.46Å; R453-M461 HydrophobicContact CG-CB 4.11Å; R453-M461 PolarHBondContact N-O 2.99Å; R453-M461 PolarHBondContact O-N 2.92Å
454	N	94.4	Very high	94.1	Very high	108 Å²	108	60.1 Å²	60.1	58%	0.578	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	132.5	161.9	-63.2	-23.7	0	0	0	110.2
455	V	89	Confident	94.6	Very high	44 Å²	44	55.4 Å²	55.4	27%	0.267	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-45.5	-176.3	-179.3	0	0	0	0	111.1	F421 R453 K459 M461	F421-V455 HydrophobicContact CD1-CG2 3.81Å; F421-V455 HydrophobicContact CE1-CG1 4.24Å; F421-V455 HydrophobicContact CE1-CG2 3.62Å; R453-V455 HydrophobicContact CG-CG2 4.46Å; V455-K459 WeakPolarHBondContact CA-O 3.47Å; V455-K459 HydrophobicContact CB-CB 4.44Å; V455-K459 HydrophobicContact CB-CD 4.3Å; V455-K459 HydrophobicContact CB-CG 4.15Å; V455-K459 WeakPolarHBondContact CB-O 3.34Å; V455-K459 HydrophobicContact CG1-CD 4.09Å; V455-K459 HydrophobicContact CG1-CG 4.49Å; V455-K459 PolarHBondContact N-O 3.22Å; V455-M461 HydrophobicContact CG2-CB 3.64Å
456	A	86.3	Confident	95.1	Very high	50 Å²	50	50.4 Å²	50.4	41%	0.413	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	171.7	177.3	0	0	0	0	0	107.9	N458 K459	A456-N458 PolarHBondContact O-N 2.9Å; A456-K459 HydrophobicContact CB-CB 4.12Å; A456-K459 PolarHBondContact N-O 2.96Å; A456-K459 PolarHBondContact O-N 3.37Å
457	P	86.3	Confident	95.5	Very high	123 Å²	123	50.9 Å²	50.9	80%	0.799	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	128.9	170.8	-27.3	36.1	0	0	0	110.8	K459	P457-K459 PolarHBondContact O-N 3.13Å; P457-K459 VanDerWaalsContact O-N 3.12Å
458	N	90.4	Very high	95.4	Very high	144 Å²	144	49.7 Å²	49.7	77%	0.77	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	28.4	-177.8	-49.7	-30.3	0	0	0	114	K423 A456	K423-N458 WeakPolarHBondContact CA-O 3.46Å; K423-N458 VanDerWaalsContact CB-O 3.27Å; K423-N458 WeakPolarHBondContact CB-O 3.18Å; K423-N458 WeakPolarHBondContact CG-O 3.38Å; A456-N458 PolarHBondContact O-N 2.9Å
459	K	94.9	Very high	95.2	Very high	58 Å²	58	47.3 Å²	47.3	25%	0.252	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	114.4	174.4	-171.5	-179.1	178.7	177.6	0	110.5	F421 S422 K423 V455 A456 P457	F421-K459 VanDerWaalsContact CG-CE 3.46Å; S422-K459 CarbonylContact O-C 3.57Å; S422-K459 WeakPolarHBondContact O-CA 3.45Å; K423-K459 HydrophobicContact CG-CB 4.08Å; K423-K459 HydrophobicContact CG-CG 4.05Å; V455-K459 WeakPolarHBondContact CA-O 3.47Å; V455-K459 HydrophobicContact CB-CB 4.44Å; V455-K459 HydrophobicContact CB-CD 4.3Å; V455-K459 HydrophobicContact CB-CG 4.15Å; V455-K459 WeakPolarHBondContact CB-O 3.34Å; V455-K459 HydrophobicContact CG1-CD 4.09Å; V455-K459 HydrophobicContact CG1-CG 4.49Å; V455-K459 PolarHBondContact N-O 3.22Å; A456-K459 HydrophobicContact CB-CB 4.12Å; A456-K459 PolarHBondContact N-O 2.96Å; A456-K459 PolarHBondContact O-N 3.37Å; P457-K459 PolarHBondContact O-N 3.13Å; P457-K459 VanDerWaalsContact O-N 3.12Å
460	E	97.4	Very high	94.8	Very high	53 Å²	53	46.2 Å²	46.2	25%	0.248	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	152.1	179.6	-65	-172.9	164.2	0	0	111	F421 S422 P427 L451 L462	F421-E460 CarbonylContact C-O 3.57Å; F421-E460 VanDerWaalsContact CA-O 3.23Å; F421-E460 WeakPolarHBondContact CA-O 3.49Å; S422-E460 PolarHBondContact N-O 2.99Å; S422-E460 PolarHBondContact O-N 3.31Å; P427-E460 VanDerWaalsContact CB-OE2 3.27Å; P427-E460 WeakPolarHBondContact CB-OE2 3.35Å; P427-E460 HydrophobicContact CG-CG 4.49Å; P427-E460 WeakPolarHBondContact CG-OE2 3.21Å; L451-E460 HydrophobicContact CD1-CB 3.79Å; L451-E460 HydrophobicContact CD1-CG 3.97Å; E460-L462 HydrophobicContact CB-CD1 3.94Å
461	M	98.1	Very high	94.5	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.015	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.8	167	179.3	173.4	166.3	0	0	108.1	L285 P389 Y419 F421 V452 R453 V455	L285-M461 HydrophobicContact CD1-CE 4.47Å; L285-M461 HydrophobicContact CD2-CE 3.92Å; L285-M461 HydrophobicContact CD2-SD 4.1Å; P389-M461 HydrophobicContact CB-CG 4.45Å; P389-M461 HydrophobicContact CG-CE 3.55Å; P389-M461 HydrophobicContact CG-CG 4.33Å; P389-M461 HydrophobicContact CG-SD 3.98Å; Y419-M461 HydrophobicContact CD1-CE 3.39Å; Y419-M461 HydrophobicContact CE1-CE 3.95Å; Y419-M461 HydrophobicContact CG-CE 4.14Å; F421-M461 HydrophobicContact CD1-CB 3.9Å; F421-M461 HydrophobicContact CD1-CG 4.26Å; F421-M461 HydrophobicContact CE1-CB 3.88Å; F421-M461 HydrophobicContact CE1-CG 4.03Å; F421-M461 HydrophobicContact CE1-SD 4.11Å; V452-M461 WeakPolarHBondContact CA-O 3.46Å; V452-M461 HydrophobicContact CB-CB 4.38Å; V452-M461 HydrophobicContact CB-CG 4.08Å; V452-M461 VanDerWaalsContact CB-O 3.31Å; V452-M461 WeakPolarHBondContact CB-O 3.45Å; V452-M461 HydrophobicContact CG1-CE 4.24Å; V452-M461 HydrophobicContact CG1-CG 4.44Å; V452-M461 HydrophobicContact CG1-SD 4.35Å; V452-M461 HydrophobicContact CG2-CG 4.42Å; V452-M461 PolarHBondContact N-O 2.94Å; R453-M461 HydrophobicContact CG-CB 4.11Å; R453-M461 PolarHBondContact N-O 2.99Å; R453-M461 PolarHBondContact O-N 2.92Å; V455-M461 HydrophobicContact CG2-CB 3.64Å
462	L	98.5	Very high	94.3	Very high	4 Å²	4	42 Å²	42	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	153.9	-178.1	-54.8	98.9	0	0	0	110.5	Y419 S420 P427 A428 V431 V449 H450 E460	Y419-L462 CarbonylContact C-O 3.58Å; Y419-L462 VanDerWaalsContact CA-O 3.26Å; Y419-L462 WeakPolarHBondContact CA-O 3.42Å; S420-L462 PolarHBondContact N-O 2.92Å; S420-L462 PolarHBondContact O-N 3.26Å; P427-L462 HydrophobicContact CB-CD1 3.85Å; P427-L462 HydrophobicContact CB-CD2 3.88Å; P427-L462 HydrophobicContact CB-CG 4.5Å; A428-L462 HydrophobicContact CB-CD2 4.43Å; V431-L462 HydrophobicContact CG2-CB 4.33Å; V431-L462 HydrophobicContact CG2-CD1 3.93Å; V449-L462 HydrophobicContact CG1-CB 3.93Å; V449-L462 HydrophobicContact CG1-CD2 3.6Å; V449-L462 HydrophobicContact CG1-CG 4.41Å; H450-L462 CarbonylContact O-C 3.57Å; H450-L462 VanDerWaalsContact O-CA 3.24Å; H450-L462 WeakPolarHBondContact O-CA 3.15Å; E460-L462 HydrophobicContact CB-CD1 3.94Å
463	C	98.7	Very high	94	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	111.6	168.3	-179.1	0	0	0	0	108.3	C418 Y419 H450 V452	C418-C463 CarbonylContact O-C 3.57Å; C418-C463 WeakPolarHBondContact O-CA 2.98Å; Y419-C463 HydrophobicContact CD1-CB 3.89Å; Y419-C463 HydrophobicContact CE1-CB 3.75Å; Y419-C463 HydrophobicContact CG-CB 4.45Å; H450-C463 PolarHBondContact N-O 3.36Å; H450-C463 PolarHBondContact O-N 3.19Å; V452-C463 HydrophobicContact CG2-CB 3.92Å
464	I	98.6	Very high	93.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.1	166.8	-174.2	175.5	0	0	0	108.6	C418 V431 R432 A435 L443 S448 V449 F466	C418-I464 HydrophobicContact CB-CG2 3.87Å; C418-I464 PolarHBondContact N-O 3.44Å; C418-I464 WeakPolarHBondContact O-CG2 3.27Å; C418-I464 PolarHBondContact O-N 3.11Å; V431-I464 HydrophobicContact CG1-CB 3.84Å; V431-I464 HydrophobicContact CG1-CG2 3.78Å; R432-I464 HydrophobicContact CB-CD1 4.38Å; R432-I464 HydrophobicContact CG-CD1 3.73Å; A435-I464 HydrophobicContact CB-CD1 4.09Å; L443-I464 HydrophobicContact CD1-CD1 3.84Å; S448-I464 CarbonylContact O-C 3.53Å; S448-I464 WeakPolarHBondContact O-CA 3.35Å; V449-I464 HydrophobicContact CG2-CB 4.27Å; V449-I464 HydrophobicContact CG2-CD1 4.48Å; V449-I464 HydrophobicContact CG2-CG1 4.07Å; I464-F466 HydrophobicContact CD1-CD1 4.34Å; I464-F466 HydrophobicContact CG1-CD1 4.07Å; I464-F466 HydrophobicContact CG2-CE1 4.41Å
465	T	98.6	Very high	93.2	Very high	20 Å²	20	39.1 Å²	39.1	12%	0.123	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.3	177.6	-61	0	0	0	0	109.7	I415 V416 H417 S447 S448	I415-T465 HydrophobicContact CG2-CG2 3.75Å; V416-T465 VanDerWaalsContact O-CA 3.25Å; V416-T465 WeakPolarHBondContact O-CA 3.42Å; H417-T465 VanDerWaalsContact CE1-CG2 3.4Å; H417-T465 WeakPolarHBondContact CE1-CG2 3.47Å; H417-T465 VanDerWaalsContact ND1-CG2 3.28Å; H417-T465 WeakPolarHBondContact ND1-CG2 3.49Å; H417-T465 PolarHBondContact ND1-OG1 3.12Å; S447-T465 CarbonylContact C-O 3.6Å; S447-T465 WeakPolarHBondContact CA-O 3.2Å; S448-T465 PolarHBondContact N-O 3Å; S448-T465 PolarHBondContact O-N 3.48Å; S448-T465 PolarHBondContact OG-O 3.5Å
466	F	97.4	Very high	92.1	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	154.2	179.2	60.7	-82	0	0	0	110.4	L396 V416 L439 L443 C446 I464 I468	L396-F466 HydrophobicContact CD1-CZ 4.37Å; L396-F466 HydrophobicContact CD2-CZ 4.03Å; V416-F466 HydrophobicContact CB-CE1 4.09Å; V416-F466 HydrophobicContact CB-CE2 4.21Å; V416-F466 HydrophobicContact CB-CZ 3.9Å; V416-F466 HydrophobicContact CG1-CE1 3.98Å; V416-F466 HydrophobicContact CG1-CZ 3.92Å; V416-F466 HydrophobicContact CG2-CZ 4.47Å; V416-F466 PolarHBondContact N-O 2.72Å; V416-F466 PolarHBondContact O-N 2.76Å; V416-F466 VanDerWaalsContact O-N 3.1Å; L439-F466 HydrophobicContact CD1-CE2 3.72Å; L439-F466 HydrophobicContact CD1-CZ 3.81Å; L443-F466 HydrophobicContact CD1-CD1 4.03Å; L443-F466 HydrophobicContact CD1-CD2 4.36Å; L443-F466 HydrophobicContact CD1-CE1 4.11Å; L443-F466 HydrophobicContact CD1-CE2 4.44Å; L443-F466 HydrophobicContact CD1-CG 4.16Å; L443-F466 HydrophobicContact CD1-CZ 4.31Å; L443-F466 HydrophobicContact CD2-CD2 4.03Å; L443-F466 HydrophobicContact CD2-CE2 4.47Å; L443-F466 HydrophobicContact CD2-CG 4.3Å; C446-F466 WeakPolarHBondContact O-CB 3.31Å; I464-F466 HydrophobicContact CD1-CD1 4.34Å; I464-F466 HydrophobicContact CG1-CD1 4.07Å; I464-F466 HydrophobicContact CG2-CE1 4.41Å; F466-I468 HydrophobicContact CE2-CG1 4.45Å
467	Q	95.6	Very high	90.7	Very high	76 Å²	76	46.9 Å²	46.9	36%	0.355	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	131.3	167.5	-175	172.1	-18	0	0	108.7	N410 L413 P414 P469	N410-Q467 PolarHBondContact O-NE2 2.99Å; L413-Q467 HydrophobicContact CB-CG 3.82Å; P414-Q467 WeakPolarHBondContact O-CA 3.05Å; Q467-P469 WeakPolarHBondContact O-CD 3.13Å
468	I	93.6	Very high	88.7	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-61.6	124.6	-177.4	-57.2	176.5	0	0	0	109	I384 F399 L413 P414 V416 F466 A470 V472 L473	I384-I468 HydrophobicContact CD1-CD1 4.28Å; F399-I468 HydrophobicContact CD1-CD1 3.6Å; F399-I468 HydrophobicContact CD2-CD1 4.32Å; F399-I468 HydrophobicContact CE1-CD1 3.77Å; F399-I468 HydrophobicContact CE2-CD1 4.47Å; F399-I468 HydrophobicContact CG-CD1 3.9Å; F399-I468 HydrophobicContact CZ-CD1 4.22Å; L413-I468 WeakPolarHBondContact CD1-O 3.48Å; P414-I468 HydrophobicContact CB-CD1 4.01Å; P414-I468 HydrophobicContact CG-CD1 4.4Å; P414-I468 PolarHBondContact O-N 3.23Å; V416-I468 HydrophobicContact CB-CG1 4.45Å; V416-I468 HydrophobicContact CG2-CD1 3.48Å; V416-I468 VanDerWaalsContact CG2-CD1 3.48Å; V416-I468 HydrophobicContact CG2-CG1 3.36Å; F466-I468 HydrophobicContact CE2-CG1 4.45Å; I468-A470 PolarHBondContact O-N 3.36Å; I468-V472 HydrophobicContact CG2-CB 4.47Å; I468-L473 HydrophobicContact CD1-CD1 4.5Å; I468-L473 HydrophobicContact CG2-CB 3.97Å; I468-L473 HydrophobicContact CG2-CD1 4.41Å
469	P	92.4	Very high	86.3	Confident	23 Å²	23	49.5 Å²	49.5	15%	0.149	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-63	136.5	176.8	-24.4	35.8	0	0	0	111.8	I441 L443 Q467 A471 V472 L473	I441-P469 HydrophobicContact CD1-CB 4.09Å; I441-P469 HydrophobicContact CD1-CG 4.3Å; I441-P469 HydrophobicContact CG2-CG 4.05Å; L443-P469 HydrophobicContact CD2-CG 4.45Å; Q467-P469 WeakPolarHBondContact O-CD 3.13Å; P469-A471 PolarHBondContact O-N 3.13Å; P469-V472 HydrophobicContact CB-CG2 4.18Å; P469-V472 HydrophobicContact CG-CG2 4.41Å; P469-V472 WeakPolarHBondContact O-CB 3.32Å; P469-V472 PolarHBondContact O-N 3.5Å; P469-L473 PolarHBondContact O-N 2.85Å; P469-L473 VanDerWaalsContact O-N 3.11Å
470	A	91.3	Very high	83.3	Confident	20 Å²	20	53.1 Å²	53.1	17%	0.165	28%	0.277	C	S	.	.	H	α-helix	trans	-55.1	-40.2	179.4	0	0	0	0	0	112.8	P407 L413 I468 V472 L473 Y474	P407-A470 HydrophobicContact CB-CB 4.35Å; P407-A470 HydrophobicContact CG-CB 3.99Å; L413-A470 HydrophobicContact CD1-CB 3.86Å; I468-A470 PolarHBondContact O-N 3.36Å; A470-V472 PolarHBondContact O-N 3.27Å; A470-L473 PolarHBondContact O-N 3.39Å; A470-Y474 HydrophobicContact CB-CD2 4.39Å; A470-Y474 PolarHBondContact O-N 2.92Å
471	A	91	Very high	80.6	Confident	63 Å²	63	56.4 Å²	56.4	52%	0.521	30%	0.303	S	S	.	.	H	α-helix	trans	-62.8	-20.5	178.3	0	0	0	0	0	113.9	P469	P469-A471 PolarHBondContact O-N 3.13Å
472	V	93.3	Very high	77.8	Confident	7 Å²	7	63.8 Å²	63.8	4%	0.042	34%	0.338	C	S	.	.	H	α-helix	trans	-87.3	-47.1	172.3	178.1	0	0	0	0	110.2	F399 K400 W401 L439 I441 I468 P469 A470	F399-V472 HydrophobicContact CB-CG1 4.42Å; K400-V472 CarbonylContact C-O 3.57Å; K400-V472 WeakPolarHBondContact CA-O 3.46Å; K400-V472 HydrophobicContact CG-CG1 4.06Å; W401-V472 PolarHBondContact N-O 2.72Å; L439-V472 HydrophobicContact CB-CG2 4.31Å; L439-V472 HydrophobicContact CD2-CG1 3.83Å; I441-V472 HydrophobicContact CG2-CG2 3.72Å; I468-V472 HydrophobicContact CG2-CB 4.47Å; P469-V472 HydrophobicContact CB-CG2 4.18Å; P469-V472 HydrophobicContact CG-CG2 4.41Å; P469-V472 WeakPolarHBondContact O-CB 3.32Å; P469-V472 PolarHBondContact O-N 3.5Å; A470-V472 PolarHBondContact O-N 3.27Å
473	L	92.9	Very high	74.9	Confident	0 Å²	0	71 Å²	71	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-69.9	-38.5	-171.2	-170.6	65.4	0	0	0	113.2	F399 W401 L402 L403 L413 I468 P469 A470	F399-L473 WeakPolarHBondContact O-CA 3.1Å; W401-L473 CarbonylContact C-O 3.54Å; L402-L473 HydrophobicContact CB-CD1 3.95Å; L402-L473 HydrophobicContact CD2-CD1 4.09Å; L402-L473 PolarHBondContact N-O 2.57Å; L403-L473 HydrophobicContact CD1-CD1 4.31Å; L403-L473 HydrophobicContact CD1-CD2 3.67Å; L403-L473 HydrophobicContact CD1-CG 3.81Å; L403-L473 HydrophobicContact CG-CD1 4.24Å; L403-L473 HydrophobicContact CG-CD2 4.42Å; L403-L473 HydrophobicContact CG-CG 4.02Å; L403-L473 PolarHBondContact N-O 2.77Å; L413-L473 HydrophobicContact CD2-CD2 4.09Å; I468-L473 HydrophobicContact CD1-CD1 4.5Å; I468-L473 HydrophobicContact CG2-CB 3.97Å; I468-L473 HydrophobicContact CG2-CD1 4.41Å; P469-L473 PolarHBondContact O-N 2.85Å; P469-L473 VanDerWaalsContact O-N 3.11Å; A470-L473 PolarHBondContact O-N 3.39Å
474	Y	90.7	Very high	72	Confident	13 Å²	13	79.3 Å²	79.3	5%	0.051	42%	0.415	C	S	.	.	B	Isolated β-bridge	trans	-100.2	140	-175.4	-69.2	-89	0	0	0	112	L403 P407 L413 A470 N476	L403-Y474 HydrophobicContact CB-CD1 3.87Å; L403-Y474 HydrophobicContact CB-CE1 3.85Å; L403-Y474 HydrophobicContact CD1-CE1 4.09Å; L403-Y474 WeakPolarHBondContact O-CA 3.47Å; P407-Y474 HydrophobicContact CB-CD2 4.11Å; P407-Y474 HydrophobicContact CB-CE2 3.66Å; P407-Y474 HydrophobicContact CG-CD2 4.43Å; P407-Y474 HydrophobicContact CG-CE2 4.45Å; L413-Y474 HydrophobicContact CD2-CE2 3.92Å; A470-Y474 HydrophobicContact CB-CD2 4.39Å; A470-Y474 PolarHBondContact O-N 2.92Å; Y474-N476 PolarHBondContact O-N 3.14Å
475	K	82	Confident	69	Low	117 Å²	117	87.7 Å²	87.7	51%	0.509	45%	0.454	S	S	.	.			trans	-71.4	116.2	169.2	-164	175	-179.8	-178.5	0	109.8	W401 L403 Q477	W401-K475 HydrophobicContact CB-CB 4.05Å; W401-K475 HydrophobicContact CB-CG 4.3Å; W401-K475 HydrophobicContact CG-CB 4.41Å; W401-K475 HydrophobicContact CG-CG 4.37Å; L403-K475 PolarHBondContact O-N 3.24Å; K475-Q477 PolarHBondContact O-N 2.87Å; K475-Q477 VanDerWaalsContact O-N 3.1Å
476	N	66.6	Low	66	Low	101 Å²	101	93.9 Å²	93.9	54%	0.54	49%	0.486	S	S	.	.			trans	-61.6	115.8	171.7	-80.8	-17.1	0	0	0	109.6	Y474 T478	Y474-N476 PolarHBondContact O-N 3.14Å; N476-T478 VanDerWaalsContact C-N 3.25Å; N476-T478 PolarHBondContact O-N 3.4Å
477	Q	55.5	Low	63.1	Low	155 Å²	155	98.8 Å²	98.8	72%	0.724	52%	0.519	S	S	*	.			trans	-76.8	84	162.1	-70.6	-176.5	1.9	0	0	107.5	K475 K479	K475-Q477 PolarHBondContact O-N 2.87Å; K475-Q477 VanDerWaalsContact O-N 3.1Å; Q477-K479 PolarHBondContact O-N 3.21Å
478	T	45.7	Very low	60.2	Low	126 Å²	126	101.1 Å²	101.1	77%	0.773	54%	0.541	S	S	*	.			trans	-60.2	122.4	159.1	29	0	0	0	0	107.8	N476 N480	N476-T478 VanDerWaalsContact C-N 3.25Å; N476-T478 PolarHBondContact O-N 3.4Å; T478-N480 PolarHBondContact O-N 3.43Å
479	K	40.6	Very low	57.4	Low	196 Å²	196	109.7 Å²	109.7	85%	0.852	59%	0.585	S	S	*	*			trans	-35	128.2	170.4	-68.2	173.9	174.5	179.3	0	110.7	Q477 P481	Q477-K479 PolarHBondContact O-N 3.21Å; K479-P481 VanDerWaalsContact O-CD 3.27Å; K479-P481 WeakPolarHBondContact O-CD 3.32Å
480	N	31.5	Very low	54.7	Low	134 Å²	134	118 Å²	118	72%	0.717	62%	0.619	S	S	*	*			trans	-52.1	122.6	157.1	-86	-2.4	0	0	0	107.6	T478 E482	T478-N480 PolarHBondContact O-N 3.43Å; N480-E482 PolarHBondContact O-N 3Å; N480-E482 VanDerWaalsContact O-N 3.1Å
481	P	39.6	Very low	52.2	Low	123 Å²	123	129.1 Å²	129.1	80%	0.799	66%	0.657	S	S	*	*			trans	-81.4	68.4	159.2	33.8	-26.4	0	0	0	107.4	K479	K479-P481 VanDerWaalsContact O-CD 3.27Å; K479-P481 WeakPolarHBondContact O-CD 3.32Å
482	E	40.6	Very low	49.4	Very low	157 Å²	157	135.2 Å²	135.2	73%	0.734	67%	0.674	S	S	*	*			trans	-113.4	63	162.2	-75.3	-170.6	174.5	0	0	108.2	N480	N480-E482 PolarHBondContact O-N 3Å; N480-E482 VanDerWaalsContact O-N 3.1Å
483	N	37.8	Very low	46.4	Very low	155 Å²	155	146.7 Å²	146.7	83%	0.829	72%	0.717	S	S	*	*			trans	-112.8	76.8	145	-83.2	-8.3	0	0	0	105.5	E485	N483-E485 PolarHBondContact O-N 3.27Å
484	H	37.6	Very low	43.5	Very low	175 Å²	175	153.6 Å²	153.6	81%	0.81	76%	0.759	S	S	*	*			trans	-72.9	93.4	149	-94.6	-73.1	0	0	0	105.5	D486	H484-D486 PolarHBondContact O-N 3.3Å; H484-D486 VanDerWaalsContact O-N 3.14Å
485	E	34.4	Very low	40.7	Very low	176 Å²	176	157.3 Å²	157.3	82%	0.822	79%	0.793	S	S	*	*			trans	-57.3	112.2	156.3	-75.4	-174.8	156.5	0	0	106.7	N483	N483-E485 PolarHBondContact O-N 3.27Å
486	D	36.2	Very low	38.3	Very low	150 Å²	150	160.6 Å²	160.6	80%	0.802	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-56.5	129.5	165	-85.5	-36	0	0	0	108.6	H484	H484-D486 PolarHBondContact O-N 3.3Å; H484-D486 VanDerWaalsContact O-N 3.14Å
487	P	35.8	Very low	36.6	Very low	108 Å²	108	159.7 Å²	159.7	70%	0.701	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-66.2	149	173.4	26.7	-30.7	0	0	0	110.1	L489	P487-L489 PolarHBondContact O-N 3.13Å
488	P	34.6	Very low	35.3	Very low	125 Å²	125	162.1 Å²	162.1	81%	0.812	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-65.2	134	-168.9	24.8	-32.4	0	0	0	112	K490	P488-K490 PolarHBondContact O-N 2.93Å; P488-K490 VanDerWaalsContact O-N 3.08Å
489	L	35.2	Very low	34.6	Very low	179 Å²	179	160.2 Å²	160.2	94%	0.937	82%	0.817	S	S	*	*			trans	-47.7	110.6	174.7	-78.3	153.8	0	0	0	111.5	P487 R491	P487-L489 PolarHBondContact O-N 3.13Å; L489-R491 PolarHBondContact O-N 2.66Å
490	K	35.8	Very low	34.2	Very low	199 Å²	199	158.5 Å²	158.5	87%	0.865	82%	0.817	S	S	*	*			trans	-64.9	116.6	164.2	-86.2	-179.4	176.4	175.4	0	108.8	P488 Q492	P488-K490 PolarHBondContact O-N 2.93Å; P488-K490 VanDerWaalsContact O-N 3.08Å; K490-Q492 PolarHBondContact O-N 2.74Å
491	R	38.1	Very low	34.2	Very low	252 Å²	252	159.6 Å²	159.6	95%	0.951	82%	0.818	S	S	*	*			trans	-47.2	121.1	160	-88.6	176.3	166.9	172.6	-4.1	109.7	L489	L489-R491 PolarHBondContact O-N 2.66Å
492	Q	32.4	Very low	33.8	Very low	191 Å²	191	161.8 Å²	161.8	89%	0.893	82%	0.815	S	S	*	*			trans	-113.8	132.6	159.6	-90.3	-176.9	-19.5	0	0	110.1	K490	K490-Q492 PolarHBondContact O-N 2.74Å
493	R	29.9	Very low	33.3	Very low	249 Å²	249	161.4 Å²	161.4	94%	0.94	82%	0.823	S	S	*	*			trans	-64.3	146.3	179.8	-91.8	166.7	145.4	169.2	-8.7	111.7
494	T	32.1	Very low	33.2	Very low	144 Å²	144	163 Å²	163	88%	0.883	83%	0.825	S	S	*	*			trans	-72	137.5	161.3	26.4	0	0	0	0	112.4
495	A	32.2	Very low	33.3	Very low	91 Å²	91	162.2 Å²	162.2	75%	0.752	83%	0.826	S	S	*	*			trans	157.6	147.9	154.2	0	0	0	0	0	107.3
496	E	31.5	Very low	33.4	Very low	186 Å²	186	158.7 Å²	158.7	87%	0.869	83%	0.827	S	S	*	*			cis	-168.7	155.8	-19.3	-116.3	175.4	178.2	0	0	104.7
497	A	30.6	Very low	33.3	Very low	82 Å²	82	156.2 Å²	156.2	68%	0.678	82%	0.821	S	S	*	*			trans	66.8	126.4	149.8	0	0	0	0	0	123
498	F	29.4	Very low	33.5	Very low	207 Å²	207	158.7 Å²	158.7	91%	0.908	83%	0.829	S	S	*	*			trans	37.8	147.1	130.2	-73.3	-96	0	0	0	119.5
499	S	30.6	Very low	34	Very low	85 Å²	85	162.8 Å²	162.8	59%	0.594	85%	0.852	S	S	*	*			cis	-172.6	153.7	-8.5	45.4	0	0	0	0	103.4
500	D	31.5	Very low	33.9	Very low	161 Å²	161	162 Å²	162	86%	0.861	85%	0.848	S	S	*	*				174.5	152.4	126.1	-86.6	-3.9	0	0	0	112.3
501	E	31.9	Very low	33.8	Very low	157 Å²	157	160.1 Å²	160.1	73%	0.734	85%	0.847	S	S	*	*			trans	-105.3	170.4	-149	-154.6	-171.3	-158.8	0	0	110.5
502	K	31.4	Very low	33.6	Very low	169 Å²	169	154.9 Å²	154.9	74%	0.735	84%	0.841	S	S	*	*			trans	84.9	114	155.4	-66.2	171.5	177.1	156.5	0	118.2
503	T	29.3	Very low	33.6	Very low	149 Å²	149	152.8 Å²	152.8	91%	0.914	84%	0.838	S	S	*	*				-146.8	116.3	108.9	-41.8	0	0	0	0	109.2
504	Q	35.7	Very low	33.9	Very low	187 Å²	187	146.8 Å²	146.8	87%	0.874	83%	0.831	S	S	*	*			trans	-117.7	143.7	164.8	-145.4	175.2	18	0	0	108.6
505	I	40	Very low	34	Very low	159 Å²	159	147 Å²	147	82%	0.815	83%	0.828	S	S	*	*			trans	-62.9	146.1	-168.7	-63.8	152.6	0	0	0	112.3
506	A	36.8	Very low	34.1	Very low	102 Å²	102	151 Å²	151	84%	0.843	83%	0.833	S	S	*	*			trans	-128.5	117.4	152.8	0	0	0	0	0	109.9
507	S	35.1	Very low	34.3	Very low	99 Å²	99	148.3 Å²	148.3	69%	0.692	83%	0.831	S	S	*	*			trans	-71.6	157.2	168.8	38.1	0	0	0	0	111.9
508	N	39.8	Very low	34.6	Very low	160 Å²	160	153.8 Å²	153.8	86%	0.856	84%	0.843	S	S	*	*			trans	-100	121.4	149	-99.3	-10.6	0	0	0	108
509	T	44.1	Very low	35.1	Very low	211 Å²	211	149 Å²	149	100%	1.294	84%	0.838	S	S	*	*			trans	63.4	0	165.9	38.1	0	0	0	0	119.6

Retrieved 509 of 509 residues in 550.3 ms (Link to these results)

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