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Fibromodulin

Affects the rate of fibrils formation. May have a primary role in collagen fibrillogenesis (By similarity).

AlphaFold DB , UniProt , Accession Q06828, Species HUMAN (Homo sapiens, Human), Gene FMOD, Length 376 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.3	Very low	36.4	Very low	234 Å²	234	144 Å²	144	100%	1.153	80%	0.795	S	S	*	*				0	80.9	0	-68.3	166.2	96.7	0	0	106.3
2	Q	35.4	Very low	36.4	Very low	159 Å²	159	145.5 Å²	145.5	74%	0.743	80%	0.8	S	S	*	*				82.9	91.6	93.1	-81.4	-169.9	-44.1	0	0	112.4
3	W	33.2	Very low	35.8	Very low	217 Å²	217	148.6 Å²	148.6	82%	0.822	80%	0.801	S	S	*	*				97.6	104.2	104.3	-73.7	21.4	0	0	0	111.3
4	T	36.3	Very low	35.7	Very low	119 Å²	119	146.4 Å²	146.4	73%	0.73	80%	0.802	S	S	*	*				41.7	119.6	86.4	59.1	0	0	0	0	116.1
5	S	36.5	Very low	35.3	Very low	112 Å²	112	146.5 Å²	146.5	78%	0.783	80%	0.8	S	S	*	*			trans	-179.4	110.7	135.5	-74.1	0	0	0	0	108.5
6	L	35.8	Very low	35.1	Very low	143 Å²	143	144.3 Å²	144.3	75%	0.749	80%	0.799	S	S	*	*				66.2	120.8	66.5	-124.8	141.4	0	0	0	114	L8	L6-L8 HydrophobicContact CD2-CD1 3.9Å; L6-L8 HydrophobicContact CD2-CG 4.31Å
7	L	38	Very low	34.6	Very low	154 Å²	154	145.1 Å²	145.1	81%	0.806	80%	0.795	S	S	*	*			trans	172.3	114	138.3	-88	152.4	0	0	0	107.7
8	L	33.3	Very low	34.4	Very low	129 Å²	129	141.9 Å²	141.9	68%	0.675	79%	0.792	S	S	*	*				95.2	144.7	54.2	-100.9	160.3	0	0	0	114.3	L6	L6-L8 HydrophobicContact CD2-CD1 3.9Å; L6-L8 HydrophobicContact CD2-CG 4.31Å
9	L	37.6	Very low	34.1	Very low	155 Å²	155	141.7 Å²	141.7	81%	0.812	78%	0.784	S	S	*	*			trans	87.4	137.3	163.3	-60.7	141	0	0	0	114.8
10	A	36.5	Very low	34.2	Very low	96 Å²	96	145.6 Å²	145.6	79%	0.793	79%	0.788	S	S	*	*			cis	178.1	152.5	-3.1	0	0	0	0	0	102
11	G	33.6	Very low	34.1	Very low	66 Å²	66	146.2 Å²	146.2	68%	0.68	79%	0.786	S	S	*	*			cis	160.1	178.1	18.1	0	0	0	0	0	106.3
12	L	36.3	Very low	33.9	Very low	162 Å²	162	142.3 Å²	142.3	85%	0.848	77%	0.77	S	S	*	*			trans	85	94.1	164.5	-49.6	173.2	0	0	0	115.9
13	F	29	Very low	34.2	Very low	186 Å²	186	138.4 Å²	138.4	82%	0.816	75%	0.754	S	S	*	*				67.1	100.9	86.3	-89.1	-85.6	0	0	0	113.9
14	S	34.5	Very low	34.6	Very low	117 Å²	117	132.4 Å²	132.4	82%	0.818	74%	0.743	S	S	*	*				-174.5	125.5	118.6	53.7	0	0	0	0	109.9
15	L	29	Very low	34.7	Very low	148 Å²	148	131.3 Å²	131.3	78%	0.775	73%	0.729	S	S	*	*			trans	-59.2	137.1	172.5	-69	91.7	0	0	0	111.2
16	S	32.3	Very low	35.2	Very low	112 Å²	112	132 Å²	132	78%	0.783	72%	0.715	S	S	*	*			trans	-143.1	100.3	136.9	65.5	0	0	0	0	108	A18	S16-A18 VanDerWaalsContact C-N 3.35Å; S16-A18 PolarHBondContact O-N 3.27Å
17	Q	27.1	Very low	35.7	Very low	157 Å²	157	130.4 Å²	130.4	73%	0.734	70%	0.699	S	S	*	*			trans	-59.3	101.8	158.8	-76.2	172.8	-69.6	0	0	107	Q19	Q17-Q19 PolarHBondContact O-N 3.36Å
18	A	30.9	Very low	35.7	Very low	89 Å²	89	128.2 Å²	128.2	74%	0.736	68%	0.683	S	S	*	*			trans	-83.2	83.9	155.7	0	0	0	0	0	106.2	S16 Y20	S16-A18 VanDerWaalsContact C-N 3.35Å; S16-A18 PolarHBondContact O-N 3.27Å; A18-Y20 VanDerWaalsContact C-N 3.3Å; A18-Y20 PolarHBondContact O-N 3.5Å; A18-Y20 VanDerWaalsContact O-N 3.08Å
19	Q	27.7	Very low	36.1	Very low	137 Å²	137	128.1 Å²	128.1	64%	0.64	68%	0.679	S	S	*	*			trans	-62.7	98.2	156.5	-90.5	168.3	-85.9	0	0	106.6	Q17	Q17-Q19 PolarHBondContact O-N 3.36Å
20	Y	35.9	Very low	36.3	Very low	219 Å²	219	124.5 Å²	124.5	86%	0.859	66%	0.655	S	S	*	*			trans	-98.7	95.6	149.2	-103	-90.6	0	0	0	105.1	A18 D22	A18-Y20 VanDerWaalsContact C-N 3.3Å; A18-Y20 PolarHBondContact O-N 3.5Å; A18-Y20 VanDerWaalsContact O-N 3.08Å; Y20-D22 PolarHBondContact O-N 2.82Å
21	E	33.8	Very low	36.5	Very low	159 Å²	159	124.1 Å²	124.1	74%	0.743	64%	0.639	S	S	*	*			trans	-57.1	122.6	164.5	-76.8	174.8	153.3	0	0	107.5	D23	E21-D23 PolarHBondContact O-N 3.19Å
22	D	39.3	Very low	36.6	Very low	153 Å²	153	129.7 Å²	129.7	82%	0.818	64%	0.639	S	S	*	*			trans	-47.4	106.4	164.2	-75.4	-52.1	0	0	0	108.3	Y20 P24	Y20-D22 PolarHBondContact O-N 2.82Å; D22-P24 WeakPolarHBondContact O-CD 3.49Å
23	D	42.9	Very low	36.7	Very low	77 Å²	77	125.9 Å²	125.9	41%	0.412	63%	0.626	S	S	.	*			trans	-74.2	105.2	164.6	-178.4	8.6	0	0	0	107.4	E21 H25 W26	E21-D23 PolarHBondContact O-N 3.19Å; D23-H25 PolarHBondContact O-N 3.36Å; D23-H25 WeakPolarHBondContact OD1-CA 3.31Å; D23-H25 VanDerWaalsContact OD1-CB 3.32Å; D23-H25 WeakPolarHBondContact OD1-CB 3.33Å; D23-H25 PolarHBondContact OD1-N 3.17Å; D23-W26 PolarHBondContact O-N 3.27Å; D23-W26 PolarHBondContact OD2-N 3.02Å
24	P	41	Very low	37.4	Very low	91 Å²	91	121 Å²	121	59%	0.591	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	2.1	179.7	-4.7	25.5	0	0	0	111.4	D22 W27	D22-P24 WeakPolarHBondContact O-CD 3.49Å; P24-W27 VanDerWaalsContact O-CD1 3.28Å; P24-W27 PolarHBondContact O-NE1 3.21Å
25	H	38.2	Very low	37.3	Very low	95 Å²	95	122 Å²	122	44%	0.44	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-121.2	15.4	-176.9	-63.7	-64.3	0	0	0	113.3	D23 W27 F28	D23-H25 PolarHBondContact O-N 3.36Å; D23-H25 WeakPolarHBondContact OD1-CA 3.31Å; D23-H25 VanDerWaalsContact OD1-CB 3.32Å; D23-H25 WeakPolarHBondContact OD1-CB 3.33Å; D23-H25 PolarHBondContact OD1-N 3.17Å; H25-W27 PolarHBondContact O-N 3.21Å; H25-F28 HydrophobicContact CB-CD2 3.8Å; H25-F28 AromaticContact CG-CD2 3.89Å; H25-F28 AromaticContact ND1-CD2 3.35Å; H25-F28 WeakPolarHBondContact ND1-CD2 3.23Å; H25-F28 AromaticContact ND1-CE2 3.32Å; H25-F28 VanDerWaalsContact ND1-CE2 3.32Å; H25-F28 WeakPolarHBondContact ND1-CE2 3.25Å; H25-F28 WeakPolarHBondContact O-CA 3.31Å; H25-F28 WeakPolarHBondContact O-CB 3.43Å; H25-F28 PolarHBondContact O-N 2.97Å
26	W	46.9	Very low	37.4	Very low	128 Å²	128	120 Å²	120	49%	0.485	60%	0.597	S	S	.	*	H	α-helix	trans	-54.2	-29.9	174.5	73.5	-95.3	0	0	0	112.5	D23 F28 H29 Y30 Y232	D23-W26 PolarHBondContact O-N 3.27Å; D23-W26 PolarHBondContact OD2-N 3.02Å; W26-F28 VanDerWaalsContact C-N 3.34Å; W26-F28 PolarHBondContact O-N 3.21Å; W26-H29 PolarHBondContact O-N 2.81Å; W26-Y30 HydrophobicContact CZ3-CG 4.33Å; W26-Y30 PolarHBondContact O-N 3.06Å; W26-Y232 WeakPolarHBondContact CH2-OH 3.09Å
27	W	45.3	Very low	37.4	Very low	109 Å²	109	121.3 Å²	121.3	41%	0.413	60%	0.6	S	S	.	*	H	α-helix	trans	-66.7	-27.7	173.8	62	-91.8	0	0	0	113.6	P24 H25 H29 Y30 L31	P24-W27 VanDerWaalsContact O-CD1 3.28Å; P24-W27 PolarHBondContact O-NE1 3.21Å; H25-W27 PolarHBondContact O-N 3.21Å; W27-H29 VanDerWaalsContact C-N 3.35Å; W27-Y30 WeakPolarHBondContact O-CB 3.38Å; W27-Y30 PolarHBondContact O-N 2.73Å; W27-L31 HydrophobicContact CE3-CD1 3.58Å; W27-L31 HydrophobicContact CE3-CG 4.5Å; W27-L31 HydrophobicContact CZ3-CD1 3.79Å; W27-L31 WeakPolarHBondContact O-CB 3.4Å; W27-L31 VanDerWaalsContact O-CG 3.29Å; W27-L31 WeakPolarHBondContact O-CG 3.4Å; W27-L31 PolarHBondContact O-N 3.09Å
28	F	38.7	Very low	37.5	Very low	107 Å²	107	121.5 Å²	121.5	47%	0.469	60%	0.595	S	S	.	*	H	α-helix	trans	-67.2	-37.7	170.8	-85.3	-76.4	0	0	0	110.9	H25 W26 R32	H25-F28 HydrophobicContact CB-CD2 3.8Å; H25-F28 AromaticContact CG-CD2 3.89Å; H25-F28 AromaticContact ND1-CD2 3.35Å; H25-F28 WeakPolarHBondContact ND1-CD2 3.23Å; H25-F28 AromaticContact ND1-CE2 3.32Å; H25-F28 VanDerWaalsContact ND1-CE2 3.32Å; H25-F28 WeakPolarHBondContact ND1-CE2 3.25Å; H25-F28 WeakPolarHBondContact O-CA 3.31Å; H25-F28 WeakPolarHBondContact O-CB 3.43Å; H25-F28 PolarHBondContact O-N 2.97Å; W26-F28 VanDerWaalsContact C-N 3.34Å; W26-F28 PolarHBondContact O-N 3.21Å; F28-R32 WeakPolarHBondContact O-CB 3.33Å; F28-R32 PolarHBondContact O-N 3.41Å
29	H	41.3	Very low	37.5	Very low	127 Å²	127	127.6 Å²	127.6	59%	0.588	60%	0.601	S	S	*	*	H	α-helix	trans	-69.4	-36.7	173.2	-83.4	-81.3	0	0	0	111.9	W26 W27 R32 S33	W26-H29 PolarHBondContact O-N 2.81Å; W27-H29 VanDerWaalsContact C-N 3.35Å; H29-R32 PolarHBondContact O-N 3.11Å; H29-S33 WeakPolarHBondContact O-CB 3.45Å; H29-S33 PolarHBondContact O-N 3.14Å
30	Y	43.1	Very low	37.9	Very low	80 Å²	80	125.4 Å²	125.4	31%	0.314	59%	0.593	S	S	.	*	H	α-helix	trans	-61.3	-51.1	171.9	-174.8	-106.5	0	0	0	112	W26 W27 R32 S33 Q34	W26-Y30 HydrophobicContact CZ3-CG 4.33Å; W26-Y30 PolarHBondContact O-N 3.06Å; W27-Y30 WeakPolarHBondContact O-CB 3.38Å; W27-Y30 PolarHBondContact O-N 2.73Å; Y30-R32 VanDerWaalsContact C-N 3.34Å; Y30-R32 PolarHBondContact O-N 3.21Å; Y30-S33 PolarHBondContact O-N 3.17Å; Y30-S33 PolarHBondContact O-OG 2.81Å; Y30-Q34 WeakPolarHBondContact O-CG 3.43Å; Y30-Q34 PolarHBondContact O-N 3.37Å
31	L	39.6	Very low	38.3	Very low	88 Å²	88	119.1 Å²	119.1	46%	0.461	58%	0.579	S	S	.	*	H	α-helix	trans	-63.5	-35.5	176.1	-71.9	175.3	0	0	0	112.9	W27 Q34 Q35	W27-L31 HydrophobicContact CE3-CD1 3.58Å; W27-L31 HydrophobicContact CE3-CG 4.5Å; W27-L31 HydrophobicContact CZ3-CD1 3.79Å; W27-L31 WeakPolarHBondContact O-CB 3.4Å; W27-L31 VanDerWaalsContact O-CG 3.29Å; W27-L31 WeakPolarHBondContact O-CG 3.4Å; W27-L31 PolarHBondContact O-N 3.09Å; L31-Q34 PolarHBondContact O-N 3.03Å; L31-Q35 WeakPolarHBondContact O-CG 3.3Å; L31-Q35 PolarHBondContact O-N 2.81Å
32	R	36.6	Very low	39	Very low	182 Å²	182	117.6 Å²	117.6	69%	0.687	57%	0.568	S	S	*	*	H	α-helix	trans	-74.2	-26.3	178.7	-154.7	177	-155.9	177.7	4.4	112.7	F28 H29 Y30 Q34	F28-R32 WeakPolarHBondContact O-CB 3.33Å; F28-R32 PolarHBondContact O-N 3.41Å; H29-R32 PolarHBondContact O-N 3.11Å; Y30-R32 VanDerWaalsContact C-N 3.34Å; Y30-R32 PolarHBondContact O-N 3.21Å; R32-Q34 VanDerWaalsContact C-N 3.35Å
33	S	37.5	Very low	39.1	Very low	82 Å²	82	115.9 Å²	115.9	57%	0.573	56%	0.558	S	S	*	*	H	α-helix	trans	-76.6	-21.5	171.3	77.3	0	0	0	0	113.2	H29 Y30	H29-S33 WeakPolarHBondContact O-CB 3.45Å; H29-S33 PolarHBondContact O-N 3.14Å; Y30-S33 PolarHBondContact O-N 3.17Å; Y30-S33 PolarHBondContact O-OG 2.81Å
34	Q	43.1	Very low	39.1	Very low	83 Å²	83	116.9 Å²	116.9	39%	0.388	57%	0.569	S	S	.	*	S	Bend	trans	-89.1	-8.1	173.5	-65.9	-68.1	-49.1	0	0	113.1	Y30 L31 R32 S36	Y30-Q34 WeakPolarHBondContact O-CG 3.43Å; Y30-Q34 PolarHBondContact O-N 3.37Å; L31-Q34 PolarHBondContact O-N 3.03Å; R32-Q34 VanDerWaalsContact C-N 3.35Å; Q34-S36 PolarHBondContact O-N 2.72Å; Q34-S36 VanDerWaalsContact O-N 3.16Å
35	Q	34.3	Very low	39.2	Very low	138 Å²	138	120.6 Å²	120.6	65%	0.645	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	6.1	-175.6	-97.7	176.8	-11.4	0	0	115.6	L31	L31-Q35 WeakPolarHBondContact O-CG 3.3Å; L31-Q35 PolarHBondContact O-N 2.81Å
36	S	30.4	Very low	39.4	Very low	108 Å²	108	121.7 Å²	121.7	76%	0.755	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	29.5	173.4	-169.6	0	0	0	0	113.4	Q34	Q34-S36 PolarHBondContact O-N 2.72Å; Q34-S36 VanDerWaalsContact O-N 3.16Å
37	T	31	Very low	38.9	Very low	139 Å²	139	125.9 Å²	125.9	85%	0.853	61%	0.605	S	S	*	*	S	Bend	trans	-175.5	59.2	153.7	44.7	0	0	0	0	109.1
38	Y	30.2	Very low	38.5	Very low	160 Å²	160	128 Å²	128	63%	0.627	62%	0.62	S	S	*	*			trans	-107.2	95.3	171.6	-164.9	-94.7	0	0	0	108.3	D40	Y38-D40 HydrophobicContact CD1-CB 4.37Å; Y38-D40 HydrophobicContact CE1-CB 4.22Å; Y38-D40 PolarHBondContact O-N 3.45Å
39	Y	31	Very low	38.3	Very low	218 Å²	218	129.7 Å²	129.7	86%	0.855	64%	0.639	S	S	*	*			trans	-76.7	106.5	163.6	-139.3	-87	0	0	0	105.7	P41	Y39-P41 WeakPolarHBondContact O-CD 3.28Å; Y39-P41 WeakPolarHBondContact O-CG 3.47Å
40	D	36.7	Very low	38.1	Very low	91 Å²	91	133.8 Å²	133.8	49%	0.487	65%	0.651	S	S	.	*			trans	-62.5	111.6	174.7	-175	-5.3	0	0	0	109.5	Y38 Y42	Y38-D40 HydrophobicContact CD1-CB 4.37Å; Y38-D40 HydrophobicContact CE1-CB 4.22Å; Y38-D40 PolarHBondContact O-N 3.45Å; D40-Y42 PolarHBondContact O-N 2.99Å; D40-Y42 WeakPolarHBondContact OD1-CB 3.14Å; D40-Y42 PolarHBondContact OD1-N 3.14Å
41	P	44.4	Very low	38	Very low	87 Å²	87	137.4 Å²	137.4	57%	0.565	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	4.8	178.9	-6.8	26.8	0	0	0	113.1	Y39	Y39-P41 WeakPolarHBondContact O-CD 3.28Å; Y39-P41 WeakPolarHBondContact O-CG 3.47Å
42	Y	46.9	Very low	37.9	Very low	126 Å²	126	139.2 Å²	139.2	49%	0.494	69%	0.688	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.2	15.8	-174.1	-64.6	-77.3	0	0	0	115	D40 P44	D40-Y42 PolarHBondContact O-N 2.99Å; D40-Y42 WeakPolarHBondContact OD1-CB 3.14Å; D40-Y42 PolarHBondContact OD1-N 3.14Å; Y42-P44 VanDerWaalsContact O-CD 3.28Å; Y42-P44 WeakPolarHBondContact O-CD 3.42Å
43	D	42.4	Very low	38.2	Very low	117 Å²	117	140.2 Å²	140.2	63%	0.626	69%	0.693	S	S	*	*			trans	-102.4	102.5	171.2	-164.4	-4.8	0	0	0	112	Y45	D43-Y45 VanDerWaalsContact C-N 3.35Å; D43-Y45 PolarHBondContact O-N 3.28Å; D43-Y45 WeakPolarHBondContact OD1-CD2 3.34Å
44	P	43.1	Very low	38.4	Very low	98 Å²	98	142 Å²	142	64%	0.636	70%	0.702	S	S	*	*			trans	-91.4	58.2	178.9	38.3	-34	0	0	0	111.4	Y42	Y42-P44 VanDerWaalsContact O-CD 3.28Å; Y42-P44 WeakPolarHBondContact O-CD 3.42Å
45	Y	42.1	Very low	38.4	Very low	170 Å²	170	149.1 Å²	149.1	67%	0.667	73%	0.727	S	S	*	*			trans	-140.2	90.7	170.1	-66.7	-73.6	0	0	0	113.1	D43 Y47	D43-Y45 VanDerWaalsContact C-N 3.35Å; D43-Y45 PolarHBondContact O-N 3.28Å; D43-Y45 WeakPolarHBondContact OD1-CD2 3.34Å; Y45-Y47 PolarHBondContact O-N 3.42Å
46	P	43.5	Very low	38.8	Very low	117 Å²	117	146.1 Å²	146.1	76%	0.76	73%	0.733	S	S	*	*			trans	-78.9	107.3	153	10.7	6.7	0	0	0	108	E48	P46-E48 VanDerWaalsContact C-N 3.29Å; P46-E48 PolarHBondContact O-N 3.08Å
47	Y	35.6	Very low	39.2	Very low	217 Å²	217	147.1 Å²	147.1	85%	0.851	73%	0.734	S	S	*	*			trans	-68.7	88.2	163.1	-75.8	-91.2	0	0	0	108.7	Y45	Y45-Y47 PolarHBondContact O-N 3.42Å
48	E	38.2	Very low	40	Very low	154 Å²	154	148.6 Å²	148.6	72%	0.72	74%	0.737	S	S	*	*			trans	-105.6	111.8	163.2	-80.9	-170.6	169.2	0	0	110.2	P46 Y50	P46-E48 VanDerWaalsContact C-N 3.29Å; P46-E48 PolarHBondContact O-N 3.08Å; E48-Y50 PolarHBondContact O-N 3.23Å
49	T	33.3	Very low	40.5	Very low	142 Å²	142	150.1 Å²	150.1	87%	0.871	75%	0.75	S	S	*	*			trans	-68.6	113.2	171	44.6	0	0	0	0	110.1
50	Y	37.9	Very low	41.3	Very low	212 Å²	212	142.5 Å²	142.5	83%	0.831	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-86.9	118.5	168.6	-94.4	-95.3	0	0	0	110.7	E48	E48-Y50 PolarHBondContact O-N 3.23Å
51	E	40.3	Very low	41.6	Very low	156 Å²	156	143.8 Å²	143.8	73%	0.729	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-73.3	137.5	161.9	-70.5	-173.2	153	0	0	110.2
52	P	38.2	Very low	41.3	Very low	126 Å²	126	144.6 Å²	144.6	82%	0.818	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-85.2	118.4	178.2	30.7	-28.7	0	0	0	111.3
53	Y	42.5	Very low	41.2	Very low	204 Å²	204	148.6 Å²	148.6	80%	0.8	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-75.7	143.3	166.8	-73.4	-77.5	0	0	0	111.5
54	P	42.1	Very low	41.3	Very low	118 Å²	118	149.4 Å²	149.4	77%	0.766	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-81.7	137.5	-175.8	31.5	-31.7	0	0	0	112.4	G56	P54-G56 PolarHBondContact O-N 2.96Å
55	Y	42.8	Very low	41.5	Very low	234 Å²	234	156 Å²	156	92%	0.918	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-64.1	117.8	173.1	-89.5	-96.7	0	0	0	111.4
56	G	42.1	Very low	41.5	Very low	74 Å²	74	150.9 Å²	150.9	76%	0.763	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-93	124.3	159.2	0	0	0	0	0	109.6	P54	P54-G56 PolarHBondContact O-N 2.96Å
57	V	39.1	Very low	41.6	Very low	130 Å²	130	150.7 Å²	150.7	79%	0.788	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-83.7	120.4	176.4	-179.5	0	0	0	0	107.9
58	D	47.8	Very low	42.1	Very low	169 Å²	169	146.2 Å²	146.2	90%	0.904	80%	0.802	S	S	*	*			trans	-136.9	125.6	160.8	-104.4	-30	0	0	0	109.8	G60	D58-G60 PolarHBondContact O-N 3.12Å
59	E	41	Very low	42.4	Very low	193 Å²	193	143.9 Å²	143.9	90%	0.902	80%	0.803	S	S	*	*			trans	-74.4	117.4	-176.9	-66.4	177.6	147.6	0	0	110.4
60	G	47.6	Very low	43.4	Very low	58 Å²	58	142.6 Å²	142.6	60%	0.598	80%	0.797	S	S	*	*			trans	-127	146.8	172.5	0	0	0	0	0	111.2	D58	D58-G60 PolarHBondContact O-N 3.12Å
61	P	42.4	Very low	44.7	Very low	117 Å²	117	138.3 Å²	138.3	76%	0.76	80%	0.795	S	S	*	*			trans	-79.7	155.9	-152.1	32.1	-35.2	0	0	0	114.3	Y63	P61-Y63 PolarHBondContact O-N 3.36Å
62	A	38	Very low	45.9	Very low	105 Å²	105	135.5 Å²	135.5	87%	0.868	79%	0.785	S	S	*	*			trans	-29.8	108.1	-177.7	0	0	0	0	0	116.3
63	Y	44.3	Very low	47.6	Very low	210 Å²	210	133.1 Å²	133.1	82%	0.824	77%	0.77	S	S	*	*			trans	-78.8	123.8	159.9	-66.2	-80.7	0	0	0	109.5	P61 Y65	P61-Y63 PolarHBondContact O-N 3.36Å; Y63-Y65 PolarHBondContact O-N 3.39Å
64	T	46.2	Very low	49.4	Very low	134 Å²	134	130 Å²	130	82%	0.822	76%	0.756	S	S	*	*			trans	-44.1	126.4	165.4	37.6	0	0	0	0	111.2	G66	T64-G66 PolarHBondContact O-N 3.05Å
65	Y	46.3	Very low	51.7	Low	235 Å²	235	130 Å²	130	92%	0.922	75%	0.75	S	S	*	*			trans	-52.8	94.4	172.4	-90.2	-95.9	0	0	0	110.6	Y63	Y63-Y65 PolarHBondContact O-N 3.39Å
66	G	43	Very low	54.3	Low	64 Å²	64	120.7 Å²	120.7	66%	0.66	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-68.7	130.2	159.9	0	0	0	0	0	108.1	T64	T64-G66 PolarHBondContact O-N 3.05Å
67	S	45.1	Very low	56.8	Low	113 Å²	113	118.1 Å²	118.1	79%	0.79	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-48.9	144.3	176.2	-56.2	0	0	0	0	111.2	S69	S67-S69 PolarHBondContact O-N 3.05Å
68	P	45.6	Very low	59.6	Low	123 Å²	123	121.3 Å²	121.3	80%	0.799	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-55.8	127.3	177.8	-15.4	26.9	0	0	0	108.8
69	S	44.4	Very low	61.9	Low	104 Å²	104	116.2 Å²	116.2	73%	0.727	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-50.4	131.2	164.5	46.1	0	0	0	0	107.9	S67	S67-S69 PolarHBondContact O-N 3.05Å
70	P	55.2	Low	64.6	Low	115 Å²	115	107.3 Å²	107.3	75%	0.747	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-52.9	141.8	-179.7	20.2	-30.3	0	0	0	109.5	D72	P70-D72 PolarHBondContact O-N 3.48Å
71	P	65	Low	67	Low	123 Å²	123	109.1 Å²	109.1	80%	0.799	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-53.8	127	-178.8	21	-31.2	0	0	0	109.3
72	D	65.3	Low	69.6	Low	96 Å²	96	104.9 Å²	104.9	51%	0.513	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-55	121.1	-179.3	-174.4	15.3	0	0	0	109.2	P70 R74	P70-D72 PolarHBondContact O-N 3.48Å; D72-R74 PolarHBondContact O-N 3.36Å
73	P	73.5	Confident	72.4	Confident	76 Å²	76	101.2 Å²	101.2	49%	0.494	56%	0.561	S	S	.	*			trans	-60.5	112.4	-174.2	19.5	-30.8	0	0	0	111.3	R106	P73-R106 PolarHBondContact O-NH1 2.8Å
74	R	80.4	Confident	74.7	Confident	139 Å²	139	96.3 Å²	96.3	53%	0.525	56%	0.555	S	S	.	*			trans	-94.2	20.5	178.5	-68.5	-67.5	177.3	136	-4.4	114	D72 C76	D72-R74 PolarHBondContact O-N 3.36Å; R74-C76 PolarHBondContact O-N 2.93Å
75	D	90.9	Very high	77.1	Confident	118 Å²	118	96.7 Å²	96.7	63%	0.631	55%	0.552	S	S	*	*			trans	-55.6	135	177	-168.6	-12.8	0	0	0	111.2	R106	D75-R106 PolarHBondContact O-NH1 3.21Å; D75-R106 PolarHBondContact O-NH2 3Å
76	C	96.2	Very high	79.5	Confident	39 Å²	39	89.6 Å²	89.6	26%	0.264	53%	0.526	S	S	.	.			trans	-141.9	130.8	177	-169.5	0	0	0	0	108.4	R74 Q78 C82	R74-C76 PolarHBondContact O-N 2.93Å; C76-Q78 PolarHBondContact O-N 3.06Å; C76-C82 HydrophobicContact CB-CB 3.71Å; C76-C82 WeakPolarHBondContact CB-SG 3.31Å; C76-C82 WeakPolarHBondContact SG-CB 3.29Å; C76-C82 PolarHBondContact SG-N 3.04Å; C76-C82 CovalentContact SG-SG 2.03Å; C76-C82 PolarHBondContact SG-SG 3.47Å
77	P	96.4	Very high	82	Confident	20 Å²	20	88.4 Å²	88.4	13%	0.13	51%	0.507	C	S	.	.			trans	-54.5	136.9	172.3	-23.5	33.5	0	0	0	111	E79 C80 M90 P101	P77-E79 HydrophobicContact CB-CG 4.27Å; P77-E79 PolarHBondContact O-N 3.2Å; P77-C80 HydrophobicContact CB-CB 4.36Å; P77-C80 PolarHBondContact O-N 3.14Å; P77-C80 VanDerWaalsContact O-O 3.08Å; P77-M90 HydrophobicContact CG-SD 4Å; P77-P101 HydrophobicContact CB-CB 3.76Å; P77-P101 HydrophobicContact CB-CG 4.08Å; P77-P101 HydrophobicContact CG-CB 3.77Å; P77-P101 HydrophobicContact CG-CG 4.09Å
78	Q	96.1	Very high	84.5	Confident	196 Å²	196	84.8 Å²	84.8	92%	0.916	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.8	-173.3	-171.9	-178.9	-13	0	0	112.6	C76 C80	C76-Q78 PolarHBondContact O-N 3.06Å; Q78-C80 PolarHBondContact O-N 3.14Å
79	E	96.5	Very high	87	Confident	62 Å²	62	78.9 Å²	78.9	29%	0.29	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	0.1	175.9	62.4	-95.3	-132.8	0	0	114.1	P77 R95 L97 P101	P77-E79 HydrophobicContact CB-CG 4.27Å; P77-E79 PolarHBondContact O-N 3.2Å; E79-R95 VanDerWaalsContact O-CD 3.31Å; E79-R95 WeakPolarHBondContact O-CD 3.44Å; E79-L97 HydrophobicContact CB-CD2 3.95Å; E79-L97 HydrophobicContact CG-CD2 4.25Å; E79-P101 HydrophobicContact CG-CG 4.29Å
80	C	98	Very high	89.6	Confident	7 Å²	7	74 Å²	74	5%	0.047	41%	0.407	C	S	.	.	S	Bend	trans	-129.6	160	-177.7	-61.3	0	0	0	0	111.8	P77 Q78 M90 Y91 C92	P77-C80 HydrophobicContact CB-CB 4.36Å; P77-C80 PolarHBondContact O-N 3.14Å; P77-C80 VanDerWaalsContact O-O 3.08Å; Q78-C80 PolarHBondContact O-N 3.14Å; C80-M90 HydrophobicContact CB-CG 3.94Å; C80-M90 HydrophobicContact CB-SD 4.41Å; C80-Y91 WeakPolarHBondContact CA-O 3.2Å; C80-C92 HydrophobicContact CB-CB 4.16Å; C80-C92 WeakPolarHBondContact CB-SG 3.32Å; C80-C92 WeakPolarHBondContact SG-CB 3.45Å; C80-C92 CovalentContact SG-SG 2.03Å; C80-C92 PolarHBondContact SG-SG 3.27Å
81	D	97.9	Very high	91.7	Very high	95 Å²	95	72.1 Å²	72.1	51%	0.508	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-107.9	126.8	174.7	-67.8	-48.5	0	0	0	111	Y91 R95	D81-Y91 PolarHBondContact N-O 2.84Å; D81-Y91 PolarHBondContact O-N 3.26Å; D81-R95 IonicContact OD2-CZ 2.75Å; D81-R95 IonicContact OD2-NE 3.64Å; D81-R95 IonicContact OD2-NH2 2.99Å; D81-R95 PolarHBondContact OD2-NH2 2.95Å
82	C	97.6	Very high	93.3	Very high	28 Å²	28	66.2 Å²	66.2	19%	0.189	35%	0.348	C	S	.	.			trans	-116.4	97.1	176.5	-60.1	0	0	0	0	110.1	C76 M107	C76-C82 HydrophobicContact CB-CB 3.71Å; C76-C82 WeakPolarHBondContact CB-SG 3.31Å; C76-C82 WeakPolarHBondContact SG-CB 3.29Å; C76-C82 PolarHBondContact SG-N 3.04Å; C76-C82 CovalentContact SG-SG 2.03Å; C76-C82 PolarHBondContact SG-SG 3.47Å; C82-M107 HydrophobicContact CB-CE 4.38Å; C82-M107 VanDerWaalsContact SG-CE 3.55Å
83	P	96	Very high	94.8	Very high	28 Å²	28	63.2 Å²	63.2	18%	0.182	33%	0.331	C	S	.	.			trans	-65.1	129.3	-173.4	21.3	-30.6	0	0	0	112.6	N85 F86 Y91	P83-N85 VanDerWaalsContact C-N 3.25Å; P83-N85 VanDerWaalsContact CB-OD1 3.29Å; P83-N85 WeakPolarHBondContact CB-OD1 3.45Å; P83-N85 PolarHBondContact O-N 3.18Å; P83-F86 HydrophobicContact CG-CB 4.19Å; P83-F86 CarbonylContact O-C 3.18Å; P83-F86 VanDerWaalsContact O-C 3.23Å; P83-F86 PolarHBondContact O-N 3.49Å; P83-F86 VanDerWaalsContact O-N 3.14Å; P83-Y91 HydrophobicContact CG-CD2 4.1Å; P83-Y91 HydrophobicContact CG-CE2 3.71Å
84	P	94.2	Very high	96	Very high	108 Å²	108	64.2 Å²	64.2	70%	0.701	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.9	177.8	-25.4	34.9	0	0	0	114.1	F86	P84-F86 VanDerWaalsContact C-N 3.34Å
85	N	95.9	Very high	96.9	Very high	142 Å²	142	61.5 Å²	61.5	76%	0.759	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-17.7	178.4	59.1	-53.1	0	0	0	113.5	P83	P83-N85 VanDerWaalsContact C-N 3.25Å; P83-N85 VanDerWaalsContact CB-OD1 3.29Å; P83-N85 WeakPolarHBondContact CB-OD1 3.45Å; P83-N85 PolarHBondContact O-N 3.18Å
86	F	96.2	Very high	97.2	Very high	85 Å²	85	61 Å²	61	37%	0.373	32%	0.32	S	S	.	.	S	Bend	trans	-137.9	69.6	175.2	-162	-120.6	0	0	0	110.3	P83 P84 T88 A89 Y109	P83-F86 HydrophobicContact CG-CB 4.19Å; P83-F86 CarbonylContact O-C 3.18Å; P83-F86 VanDerWaalsContact O-C 3.23Å; P83-F86 PolarHBondContact O-N 3.49Å; P83-F86 VanDerWaalsContact O-N 3.14Å; P84-F86 VanDerWaalsContact C-N 3.34Å; F86-T88 PolarHBondContact O-N 2.66Å; F86-A89 HydrophobicContact CD1-CB 3.35Å; F86-A89 HydrophobicContact CE1-CB 3.73Å; F86-A89 HydrophobicContact CG-CB 4.45Å; F86-A89 PolarHBondContact O-N 3.12Å; F86-Y109 AromaticContact CE1-CD2 3.68Å; F86-Y109 HydrophobicContact CE1-CD2 3.68Å; F86-Y109 AromaticContact CE1-CE2 3.95Å; F86-Y109 HydrophobicContact CE1-CE2 3.95Å; F86-Y109 HydrophobicContact CE1-CG 4.44Å; F86-Y109 AromaticContact CZ-CD2 3.88Å; F86-Y109 HydrophobicContact CZ-CD2 3.88Å; F86-Y109 AromaticContact CZ-CE2 3.63Å; F86-Y109 HydrophobicContact CZ-CE2 3.63Å
87	P	95.7	Very high	97.3	Very high	40 Å²	40	60.2 Å²	60.2	26%	0.26	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-9	-161.5	28.5	-37.6	0	0	0	115.5	R106	P87-R106 WeakPolarHBondContact O-CD 3.41Å; P87-R106 PolarHBondContact O-NE 3.46Å
88	T	97.4	Very high	97.4	Very high	36 Å²	36	65.1 Å²	65.1	22%	0.221	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	4.1	177.4	55.6	0	0	0	0	113.3	F86 K108 Y109	F86-T88 PolarHBondContact O-N 2.66Å; T88-K108 HydrophobicContact CG2-CD 4.28Å; T88-K108 HydrophobicContact CG2-CG 4.32Å; T88-K108 PolarHBondContact O-N 3.06Å; T88-Y109 PolarHBondContact O-N 2.98Å; T88-Y109 VanDerWaalsContact O-N 3.12Å
89	A	98.4	Very high	97.5	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	149.4	173.5	0	0	0	0	0	112.5	F86 Y91 Y109	F86-A89 HydrophobicContact CD1-CB 3.35Å; F86-A89 HydrophobicContact CE1-CB 3.73Å; F86-A89 HydrophobicContact CG-CB 4.45Å; F86-A89 PolarHBondContact O-N 3.12Å; A89-Y91 HydrophobicContact CB-CD2 4.44Å; A89-Y91 HydrophobicContact CB-CE2 3.67Å; A89-Y109 VanDerWaalsContact CA-O 3.32Å; A89-Y109 WeakPolarHBondContact CA-O 3.4Å
90	M	98.4	Very high	97.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	122.2	174.3	-171.5	174.6	70.9	0	0	109.7	P77 C80 V103 P104 M107 Y109 V110 Y111 F112	P77-M90 HydrophobicContact CG-SD 4Å; C80-M90 HydrophobicContact CB-CG 3.94Å; C80-M90 HydrophobicContact CB-SD 4.41Å; M90-V103 HydrophobicContact CE-CB 4.45Å; M90-V103 HydrophobicContact CE-CG1 4.17Å; M90-V103 HydrophobicContact CE-CG2 4.01Å; M90-P104 HydrophobicContact SD-CG 4.4Å; M90-M107 HydrophobicContact CB-CE 3.95Å; M90-M107 HydrophobicContact CB-CG 4.23Å; M90-M107 HydrophobicContact CB-SD 3.84Å; M90-M107 HydrophobicContact CG-CE 4.39Å; M90-M107 HydrophobicContact SD-CE 4.37Å; M90-Y109 PolarHBondContact N-O 3.29Å; M90-V110 HydrophobicContact CB-CG1 4.23Å; M90-V110 HydrophobicContact CE-CB 4.39Å; M90-V110 HydrophobicContact CE-CG1 3.94Å; M90-Y111 PolarHBondContact O-N 3.26Å; M90-F112 HydrophobicContact CE-CE1 3.93Å; M90-F112 HydrophobicContact CE-CE2 4.35Å; M90-F112 HydrophobicContact CE-CZ 3.42Å; M90-F112 VanDerWaalsContact CE-CZ 3.42Å
91	Y	98.7	Very high	97.6	Very high	76 Å²	76	59.6 Å²	59.6	30%	0.298	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	113.3	-177.5	-63.5	-91.4	0	0	0	110.1	C80 D81 P83 A89 Y111	C80-Y91 WeakPolarHBondContact CA-O 3.2Å; D81-Y91 PolarHBondContact N-O 2.84Å; D81-Y91 PolarHBondContact O-N 3.26Å; P83-Y91 HydrophobicContact CG-CD2 4.1Å; P83-Y91 HydrophobicContact CG-CE2 3.71Å; A89-Y91 HydrophobicContact CB-CD2 4.44Å; A89-Y91 HydrophobicContact CB-CE2 3.67Å; Y91-Y111 AromaticContact CD1-CD2 3.56Å; Y91-Y111 HydrophobicContact CD1-CD2 3.56Å; Y91-Y111 HydrophobicContact CD1-CE2 4.16Å; Y91-Y111 HydrophobicContact CD1-CG 4.08Å; Y91-Y111 AromaticContact CE1-CD2 3.48Å; Y91-Y111 HydrophobicContact CE1-CD2 3.48Å; Y91-Y111 VanDerWaalsContact CE1-CD2 3.48Å; Y91-Y111 AromaticContact CE1-CE2 3.58Å; Y91-Y111 HydrophobicContact CE1-CE2 3.58Å; Y91-Y111 HydrophobicContact CE1-CG 4.2Å; Y91-Y111 HydrophobicContact CG-CD2 4.19Å; Y91-Y111 AromaticContact CZ-CE2 3.82Å
92	C	98.7	Very high	97.6	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.304	C	S	.	.			trans	-129.3	13.7	-179.6	-50.3	0	0	0	0	110.9	C80 L97 Y111 F112 N115	C80-C92 HydrophobicContact CB-CB 4.16Å; C80-C92 WeakPolarHBondContact CB-SG 3.32Å; C80-C92 WeakPolarHBondContact SG-CB 3.45Å; C80-C92 CovalentContact SG-SG 2.03Å; C80-C92 PolarHBondContact SG-SG 3.27Å; C92-L97 HydrophobicContact CB-CD1 3.71Å; C92-L97 VanDerWaalsContact O-CD1 3.29Å; C92-L97 WeakPolarHBondContact O-CD1 3.29Å; C92-Y111 CarbonylContact C-O 3.23Å; C92-Y111 VanDerWaalsContact C-O 3.23Å; C92-Y111 VanDerWaalsContact CA-O 3.23Å; C92-Y111 WeakPolarHBondContact CA-O 3.3Å; C92-Y111 VanDerWaalsContact CB-O 3.27Å; C92-Y111 WeakPolarHBondContact CB-O 3.34Å; C92-Y111 PolarHBondContact N-O 3.29Å; C92-F112 HydrophobicContact CB-CD1 3.41Å; C92-F112 VanDerWaalsContact CB-CD1 3.41Å; C92-F112 HydrophobicContact CB-CE1 3.65Å; C92-F112 HydrophobicContact CB-CG 4.4Å; C92-F112 WeakPolarHBondContact SG-CE1 3.41Å; C92-N115 PolarHBondContact O-ND2 2.71Å
93	D	98.4	Very high	97.6	Very high	32 Å²	32	60.1 Å²	60.1	17%	0.171	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	155.9	-177.2	64.4	-65.7	0	0	0	112.8	R95 Y111 Q113	D93-R95 VanDerWaalsContact N-NH1 3.12Å; D93-R95 VanDerWaalsContact O-CG 3.28Å; D93-R95 WeakPolarHBondContact O-CG 3.01Å; D93-R95 PolarHBondContact O-N 2.82Å; D93-R95 PolarHBondContact O-NH1 3.45Å; D93-R95 IonicContact OD1-NH1 2.66Å; D93-R95 PolarHBondContact OD1-NH1 3.25Å; D93-Y111 PolarHBondContact N-O 3.3Å; D93-Y111 VanDerWaalsContact N-O 3.14Å; D93-Q113 CarbonylContact C-O 3.52Å; D93-Q113 VanDerWaalsContact CA-O 3.23Å; D93-Q113 WeakPolarHBondContact CA-O 3.02Å; D93-Q113 HydrophobicContact CB-CG 3.9Å
94	N	98.3	Very high	97.6	Very high	97 Å²	97	59.6 Å²	59.6	52%	0.519	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	31	170.7	-64.4	-56.2	0	0	0	116.2	Q113 N114	N94-Q113 PolarHBondContact N-O 3.04Å; N94-N114 WeakPolarHBondContact CA-O 3.49Å; N94-N114 WeakPolarHBondContact OD1-CB 3.17Å; N94-N114 PolarHBondContact OD1-ND2 3.44Å
95	R	98.2	Very high	97.8	Very high	82 Å²	82	58 Å²	58	31%	0.309	28%	0.284	S	S	.	.	S	Bend	trans	-113.7	10.2	-171.7	-81.2	165.8	-176	86	-6	114	E79 D81 D93 L97 N115	E79-R95 VanDerWaalsContact O-CD 3.31Å; E79-R95 WeakPolarHBondContact O-CD 3.44Å; D81-R95 IonicContact OD2-CZ 2.75Å; D81-R95 IonicContact OD2-NE 3.64Å; D81-R95 IonicContact OD2-NH2 2.99Å; D81-R95 PolarHBondContact OD2-NH2 2.95Å; D93-R95 VanDerWaalsContact N-NH1 3.12Å; D93-R95 VanDerWaalsContact O-CG 3.28Å; D93-R95 WeakPolarHBondContact O-CG 3.01Å; D93-R95 PolarHBondContact O-N 2.82Å; D93-R95 PolarHBondContact O-NH1 3.45Å; D93-R95 IonicContact OD1-NH1 2.66Å; D93-R95 PolarHBondContact OD1-NH1 3.25Å; R95-L97 HydrophobicContact CB-CD1 4.49Å; R95-L97 HydrophobicContact CB-CD2 4.01Å; R95-L97 HydrophobicContact CB-CG 3.86Å; R95-L97 PolarHBondContact O-N 3.11Å; R95-N115 PolarHBondContact N-OD1 3.22Å
96	N	98.1	Very high	97.8	Very high	109 Å²	109	52.9 Å²	52.9	58%	0.583	25%	0.254	S	S	*	.			trans	56.5	29.3	-173.7	-60.6	-71.5	0	0	0	113.6	N115 Q116	N96-N115 PolarHBondContact N-OD1 3.23Å; N96-Q116 VanDerWaalsContact CB-OE1 3.31Å; N96-Q116 PolarHBondContact O-OE1 3.32Å; N96-Q116 PolarHBondContact OD1-NE2 3.28Å; N96-Q116 PolarHBondContact OD1-OE1 2.75Å
97	L	98.4	Very high	97.9	Very high	22 Å²	22	48.8 Å²	48.8	12%	0.115	24%	0.236	C	C	.	.			trans	-63.1	140.1	179.2	-58.8	-175.1	0	0	0	110.2	E79 C92 R95 N115 Q116 I117	E79-L97 HydrophobicContact CB-CD2 3.95Å; E79-L97 HydrophobicContact CG-CD2 4.25Å; C92-L97 HydrophobicContact CB-CD1 3.71Å; C92-L97 VanDerWaalsContact O-CD1 3.29Å; C92-L97 WeakPolarHBondContact O-CD1 3.29Å; R95-L97 HydrophobicContact CB-CD1 4.49Å; R95-L97 HydrophobicContact CB-CD2 4.01Å; R95-L97 HydrophobicContact CB-CG 3.86Å; R95-L97 PolarHBondContact O-N 3.11Å; L97-N115 HydrophobicContact CB-CB 4.13Å; L97-N115 PolarHBondContact N-OD1 3.29Å; L97-Q116 CarbonylContact O-C 3.45Å; L97-Q116 VanDerWaalsContact O-C 3.25Å; L97-Q116 WeakPolarHBondContact O-CA 3.35Å; L97-Q116 PolarHBondContact O-N 2.66Å; L97-I117 HydrophobicContact CB-CG1 4.4Å; L97-I117 PolarHBondContact O-N 3.04Å
98	K	98.2	Very high	98	Very high	122 Å²	122	51.4 Å²	51.4	53%	0.53	24%	0.244	S	C	.	.	S	Bend	trans	-101.5	-16.5	179.3	-54.6	-52.7	-175.4	-172.7	0	112.9	Q116	K98-Q116 HydrophobicContact CD-CB 3.97Å
99	Y	98.3	Very high	98.1	Very high	141 Å²	141	52.3 Å²	52.3	55%	0.553	24%	0.243	S	C	*	.	S	Bend	trans	-147.3	163	-177.5	62.8	-89.8	0	0	0	110
100	L	98.5	Very high	98.1	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-87.4	128.5	173.3	-68.4	170.7	0	0	0	110.1	F112 I117 I120 Q121 V124 F125 L136	L100-F112 HydrophobicContact CD2-CB 3.79Å; L100-F112 HydrophobicContact CD2-CD1 3.35Å; L100-F112 HydrophobicContact CD2-CD2 3.62Å; L100-F112 HydrophobicContact CD2-CE1 3.7Å; L100-F112 HydrophobicContact CD2-CE2 3.91Å; L100-F112 HydrophobicContact CD2-CG 3.31Å; L100-F112 HydrophobicContact CD2-CZ 3.94Å; L100-I117 HydrophobicContact CD2-CD1 3.59Å; L100-I117 HydrophobicContact CG-CD1 4.17Å; L100-I117 HydrophobicContact CG-CG2 4.07Å; L100-I120 HydrophobicContact CD1-CB 4.3Å; L100-I120 HydrophobicContact CD1-CG1 4.26Å; L100-I120 HydrophobicContact CD1-CG2 3.93Å; L100-Q121 PolarHBondContact O-NE2 3.09Å; L100-V124 HydrophobicContact CB-CG2 3.88Å; L100-F125 HydrophobicContact CD1-CZ 4.37Å; L100-L136 HydrophobicContact CD1-CD2 3.9Å; L100-L136 HydrophobicContact CD2-CD2 3.68Å; L100-L136 HydrophobicContact CG-CD2 4.33Å
101	P	97.8	Very high	98.1	Very high	8 Å²	8	53.9 Å²	53.9	5%	0.052	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-68.5	156	164.1	27.2	-32.3	0	0	0	111.2	P77 E79 V103 F112 V124	P77-P101 HydrophobicContact CB-CB 3.76Å; P77-P101 HydrophobicContact CB-CG 4.08Å; P77-P101 HydrophobicContact CG-CB 3.77Å; P77-P101 HydrophobicContact CG-CG 4.09Å; E79-P101 HydrophobicContact CG-CG 4.29Å; P101-V103 PolarHBondContact O-N 3.15Å; P101-F112 HydrophobicContact CG-CE1 4Å; P101-V124 WeakPolarHBondContact O-CG2 3.31Å
102	F	97.7	Very high	98.1	Very high	130 Å²	130	50.3 Å²	50.3	57%	0.57	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-63.6	134.1	170.8	-77.6	-82.7	0	0	0	110.4
103	V	97.9	Very high	98.1	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.018	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-82.9	126.6	-174.5	-176.6	0	0	0	0	110.7	M90 P101 M107 V110 F112 V124 F125 A128	M90-V103 HydrophobicContact CE-CB 4.45Å; M90-V103 HydrophobicContact CE-CG1 4.17Å; M90-V103 HydrophobicContact CE-CG2 4.01Å; P101-V103 PolarHBondContact O-N 3.15Å; V103-M107 HydrophobicContact CG1-CB 3.59Å; V103-M107 HydrophobicContact CG1-CG 3.74Å; V103-V110 HydrophobicContact CG1-CG1 3.72Å; V103-V110 HydrophobicContact CG2-CG1 4.42Å; V103-F112 HydrophobicContact CG2-CE2 4.38Å; V103-F112 HydrophobicContact CG2-CZ 4.11Å; V103-V124 PolarHBondContact N-O 3Å; V103-V124 VanDerWaalsContact N-O 3.14Å; V103-F125 HydrophobicContact CB-CD1 4.42Å; V103-F125 HydrophobicContact CG2-CD1 3.63Å; V103-F125 HydrophobicContact CG2-CE1 3.87Å; V103-A128 HydrophobicContact CB-CB 3.98Å; V103-A128 HydrophobicContact CG1-CB 3.56Å
104	P	97.3	Very high	98.2	Very high	18 Å²	18	53.6 Å²	53.6	12%	0.117	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-58.7	146.6	173.9	-24.5	34.2	0	0	0	112.6	M90 R106 M107	M90-P104 HydrophobicContact SD-CG 4.4Å; P104-R106 PolarHBondContact O-N 2.03Å; P104-R106 VanDerWaalsContact O-N 3.11Å; P104-M107 HydrophobicContact CB-CE 4.08Å; P104-M107 HydrophobicContact CB-CG 4.21Å; P104-M107 HydrophobicContact CG-CE 3.95Å; P104-M107 HydrophobicContact CG-CG 4.44Å; P104-M107 WeakPolarHBondContact O-CG 3.45Å; P104-M107 PolarHBondContact O-N 2.99Å; P104-M107 VanDerWaalsContact O-N 3.14Å
105	S	96.9	Very high	98.2	Very high	73 Å²	73	49.3 Å²	49.3	51%	0.51	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-28	-172.1	53.7	0	0	0	0	115.2	M107 N127	S105-M107 VanDerWaalsContact C-N 3.28Å; S105-M107 PolarHBondContact O-N 3.12Å; S105-N127 VanDerWaalsContact CA-O 3.31Å; S105-N127 WeakPolarHBondContact CA-O 3.23Å; S105-N127 WeakPolarHBondContact CB-O 3.1Å
106	R	96.5	Very high	98.2	Very high	35 Å²	35	47.4 Å²	47.4	13%	0.132	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-11.3	-178.7	71.6	177.1	-175.6	-79.9	-7.4	114.6	P73 D75 P87 P104	P73-R106 PolarHBondContact O-NH1 2.8Å; D75-R106 PolarHBondContact O-NH1 3.21Å; D75-R106 PolarHBondContact O-NH2 3Å; P87-R106 WeakPolarHBondContact O-CD 3.41Å; P87-R106 PolarHBondContact O-NE 3.46Å; P104-R106 PolarHBondContact O-N 2.03Å; P104-R106 VanDerWaalsContact O-N 3.11Å
107	M	98.2	Very high	98.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.196	C	C	.	.			trans	-73.3	136.3	-171	-61	-53.8	173	0	0	112.2	C82 M90 V103 P104 S105 V110 L131	C82-M107 HydrophobicContact CB-CE 4.38Å; C82-M107 VanDerWaalsContact SG-CE 3.55Å; M90-M107 HydrophobicContact CB-CE 3.95Å; M90-M107 HydrophobicContact CB-CG 4.23Å; M90-M107 HydrophobicContact CB-SD 3.84Å; M90-M107 HydrophobicContact CG-CE 4.39Å; M90-M107 HydrophobicContact SD-CE 4.37Å; V103-M107 HydrophobicContact CG1-CB 3.59Å; V103-M107 HydrophobicContact CG1-CG 3.74Å; P104-M107 HydrophobicContact CB-CE 4.08Å; P104-M107 HydrophobicContact CB-CG 4.21Å; P104-M107 HydrophobicContact CG-CE 3.95Å; P104-M107 HydrophobicContact CG-CG 4.44Å; P104-M107 WeakPolarHBondContact O-CG 3.45Å; P104-M107 PolarHBondContact O-N 2.99Å; P104-M107 VanDerWaalsContact O-N 3.14Å; S105-M107 VanDerWaalsContact C-N 3.28Å; S105-M107 PolarHBondContact O-N 3.12Å; M107-V110 HydrophobicContact CB-CG1 3.94Å; M107-V110 HydrophobicContact CG-CG1 4.41Å; M107-L131 HydrophobicContact CB-CD2 4.28Å
108	K	98.5	Very high	98.2	Very high	95 Å²	95	43.2 Å²	43.2	41%	0.413	20%	0.203	S	C	.	.	S	Bend	trans	-113	-29.4	171.4	-65.7	-173.1	177.7	-178.5	0	112.1	T88 L132 W133	T88-K108 HydrophobicContact CG2-CD 4.28Å; T88-K108 HydrophobicContact CG2-CG 4.32Å; T88-K108 PolarHBondContact O-N 3.06Å; K108-L132 HydrophobicContact CB-CD1 4.47Å; K108-L132 HydrophobicContact CB-CG 4.37Å; K108-L132 HydrophobicContact CD-CD1 4.35Å; K108-L132 PolarHBondContact O-N 3.14Å; K108-W133 PolarHBondContact O-N 2.03Å; K108-W133 VanDerWaalsContact O-N 3.11Å
109	Y	98.8	Very high	98.3	Very high	54 Å²	54	39 Å²	39	21%	0.212	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	122	-177.1	-47.3	-86.3	0	0	0	109.1	F86 T88 A89 M90 L132 W133	F86-Y109 AromaticContact CE1-CD2 3.68Å; F86-Y109 HydrophobicContact CE1-CD2 3.68Å; F86-Y109 AromaticContact CE1-CE2 3.95Å; F86-Y109 HydrophobicContact CE1-CE2 3.95Å; F86-Y109 HydrophobicContact CE1-CG 4.44Å; F86-Y109 AromaticContact CZ-CD2 3.88Å; F86-Y109 HydrophobicContact CZ-CD2 3.88Å; F86-Y109 AromaticContact CZ-CE2 3.63Å; F86-Y109 HydrophobicContact CZ-CE2 3.63Å; T88-Y109 PolarHBondContact O-N 2.98Å; T88-Y109 VanDerWaalsContact O-N 3.12Å; A89-Y109 VanDerWaalsContact CA-O 3.32Å; A89-Y109 WeakPolarHBondContact CA-O 3.4Å; M90-Y109 PolarHBondContact N-O 3.29Å; Y109-L132 HydrophobicContact CE1-CB 4.42Å; Y109-L132 HydrophobicContact CE1-CD1 4.37Å; Y109-W133 HydrophobicContact CD1-CB 3.92Å; Y109-W133 AromaticContact CD1-CD2 3.96Å; Y109-W133 HydrophobicContact CD1-CD2 3.96Å; Y109-W133 HydrophobicContact CD1-CE3 4.46Å; Y109-W133 AromaticContact CD1-CG 3.72Å; Y109-W133 HydrophobicContact CD1-CG 3.72Å; Y109-W133 HydrophobicContact CE1-CD2 4.29Å; Y109-W133 HydrophobicContact CE1-CG 4.14Å
110	V	98.8	Very high	98.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.1	178.8	-61.7	0	0	0	0	111	M90 V103 M107 F112 L131 W133 I134 A135	M90-V110 HydrophobicContact CB-CG1 4.23Å; M90-V110 HydrophobicContact CE-CB 4.39Å; M90-V110 HydrophobicContact CE-CG1 3.94Å; V103-V110 HydrophobicContact CG1-CG1 3.72Å; V103-V110 HydrophobicContact CG2-CG1 4.42Å; M107-V110 HydrophobicContact CB-CG1 3.94Å; M107-V110 HydrophobicContact CG-CG1 4.41Å; V110-F112 HydrophobicContact CB-CD2 4.23Å; V110-F112 HydrophobicContact CB-CE2 3.63Å; V110-F112 HydrophobicContact CB-CZ 4.26Å; V110-F112 HydrophobicContact CG2-CD2 4.13Å; V110-F112 HydrophobicContact CG2-CE2 3.62Å; V110-L131 HydrophobicContact CB-CD2 4.4Å; V110-L131 HydrophobicContact CG1-CD2 3.66Å; V110-L131 HydrophobicContact CG2-CD2 3.9Å; V110-W133 PolarHBondContact N-O 3.39Å; V110-W133 VanDerWaalsContact N-O 3.15Å; V110-I134 HydrophobicContact CG2-CB 4.21Å; V110-I134 HydrophobicContact CG2-CG1 3.8Å; V110-I134 HydrophobicContact CG2-CG2 4.24Å; V110-A135 PolarHBondContact O-N 3.45Å
111	Y	98.9	Very high	98.2	Very high	34 Å²	34	34.9 Å²	34.9	13%	0.133	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	108.6	-173.2	-58.9	-80.7	0	0	0	109.5	M90 Y91 C92 D93 Q113 A135	M90-Y111 PolarHBondContact O-N 3.26Å; Y91-Y111 AromaticContact CD1-CD2 3.56Å; Y91-Y111 HydrophobicContact CD1-CD2 3.56Å; Y91-Y111 HydrophobicContact CD1-CE2 4.16Å; Y91-Y111 HydrophobicContact CD1-CG 4.08Å; Y91-Y111 AromaticContact CE1-CD2 3.48Å; Y91-Y111 HydrophobicContact CE1-CD2 3.48Å; Y91-Y111 VanDerWaalsContact CE1-CD2 3.48Å; Y91-Y111 AromaticContact CE1-CE2 3.58Å; Y91-Y111 HydrophobicContact CE1-CE2 3.58Å; Y91-Y111 HydrophobicContact CE1-CG 4.2Å; Y91-Y111 HydrophobicContact CG-CD2 4.19Å; Y91-Y111 AromaticContact CZ-CE2 3.82Å; C92-Y111 CarbonylContact C-O 3.23Å; C92-Y111 VanDerWaalsContact C-O 3.23Å; C92-Y111 VanDerWaalsContact CA-O 3.23Å; C92-Y111 WeakPolarHBondContact CA-O 3.3Å; C92-Y111 VanDerWaalsContact CB-O 3.27Å; C92-Y111 WeakPolarHBondContact CB-O 3.34Å; C92-Y111 PolarHBondContact N-O 3.29Å; D93-Y111 PolarHBondContact N-O 3.3Å; D93-Y111 VanDerWaalsContact N-O 3.14Å; Y111-Q113 VanDerWaalsContact CA-OE1 3.3Å; Y111-Q113 VanDerWaalsContact CB-OE1 3.29Å; Y111-A135 HydrophobicContact CD1-CB 4.11Å
112	F	98.8	Very high	98.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.202	C	C	.	.			trans	-122.2	11.9	179.9	-61.2	-74.5	0	0	0	112.3	M90 C92 L100 P101 V103 V110 N115 I117 F125 A135 L136 N139	M90-F112 HydrophobicContact CE-CE1 3.93Å; M90-F112 HydrophobicContact CE-CE2 4.35Å; M90-F112 HydrophobicContact CE-CZ 3.42Å; M90-F112 VanDerWaalsContact CE-CZ 3.42Å; C92-F112 HydrophobicContact CB-CD1 3.41Å; C92-F112 VanDerWaalsContact CB-CD1 3.41Å; C92-F112 HydrophobicContact CB-CE1 3.65Å; C92-F112 HydrophobicContact CB-CG 4.4Å; C92-F112 WeakPolarHBondContact SG-CE1 3.41Å; L100-F112 HydrophobicContact CD2-CB 3.79Å; L100-F112 HydrophobicContact CD2-CD1 3.35Å; L100-F112 HydrophobicContact CD2-CD2 3.62Å; L100-F112 HydrophobicContact CD2-CE1 3.7Å; L100-F112 HydrophobicContact CD2-CE2 3.91Å; L100-F112 HydrophobicContact CD2-CG 3.31Å; L100-F112 HydrophobicContact CD2-CZ 3.94Å; P101-F112 HydrophobicContact CG-CE1 4Å; V103-F112 HydrophobicContact CG2-CE2 4.38Å; V103-F112 HydrophobicContact CG2-CZ 4.11Å; V110-F112 HydrophobicContact CB-CD2 4.23Å; V110-F112 HydrophobicContact CB-CE2 3.63Å; V110-F112 HydrophobicContact CB-CZ 4.26Å; V110-F112 HydrophobicContact CG2-CD2 4.13Å; V110-F112 HydrophobicContact CG2-CE2 3.62Å; F112-N115 PolarHBondContact O-ND2 2.96Å; F112-I117 HydrophobicContact CB-CD1 4.07Å; F112-F125 HydrophobicContact CE2-CE1 4.38Å; F112-A135 CarbonylContact C-O 3.42Å; F112-A135 WeakPolarHBondContact CA-O 3.31Å; F112-A135 WeakPolarHBondContact CB-O 3.28Å; F112-A135 PolarHBondContact N-O 2.66Å; F112-L136 HydrophobicContact CB-CD2 3.77Å; F112-L136 HydrophobicContact CD2-CD2 4.1Å; F112-L136 HydrophobicContact CG-CD2 4.24Å; F112-N139 PolarHBondContact O-ND2 3.4Å
113	Q	98.7	Very high	98.2	Very high	28 Å²	28	35.4 Å²	35.4	13%	0.131	18%	0.183	C	C	.	.			trans	-64.5	156.7	-175.1	66.2	-84.3	12.5	0	0	113.4	D93 N94 Y111 N115 A135 H137	D93-Q113 CarbonylContact C-O 3.52Å; D93-Q113 VanDerWaalsContact CA-O 3.23Å; D93-Q113 WeakPolarHBondContact CA-O 3.02Å; D93-Q113 HydrophobicContact CB-CG 3.9Å; N94-Q113 PolarHBondContact N-O 3.04Å; Y111-Q113 VanDerWaalsContact CA-OE1 3.3Å; Y111-Q113 VanDerWaalsContact CB-OE1 3.29Å; Q113-N115 PolarHBondContact O-N 2.75Å; Q113-N115 PolarHBondContact O-ND2 3.19Å; Q113-A135 PolarHBondContact N-O 3.41Å; Q113-H137 CarbonylContact C-O 3.59Å; Q113-H137 WeakPolarHBondContact CA-O 3.45Å; Q113-H137 WeakPolarHBondContact CB-CD2 3.18Å; Q113-H137 WeakPolarHBondContact CB-NE2 3.42Å; Q113-H137 VanDerWaalsContact CB-O 3.3Å; Q113-H137 WeakPolarHBondContact CB-O 3.27Å; Q113-H137 WeakPolarHBondContact CG-NE2 3.17Å
114	N	98.6	Very high	98.2	Very high	74 Å²	74	35.3 Å²	35.3	40%	0.396	18%	0.182	S	C	.	.	S	Bend	trans	57.8	48.9	173.8	-57.6	-26.8	0	0	0	113.1	N94 H137 G138	N94-N114 WeakPolarHBondContact CA-O 3.49Å; N94-N114 WeakPolarHBondContact OD1-CB 3.17Å; N94-N114 PolarHBondContact OD1-ND2 3.44Å; N114-H137 PolarHBondContact N-O 3.05Å; N114-G138 WeakPolarHBondContact CA-O 3.41Å; N114-G138 PolarHBondContact N-O 2.94Å
115	N	98.8	Very high	98.2	Very high	7 Å²	7	34.5 Å²	34.5	4%	0.037	18%	0.177	C	C	.	.	S	Bend	trans	-119.8	-165	174.9	-78.5	-64.6	0	0	0	109.8	C92 R95 N96 L97 F112 Q113 I117 G138 N139	C92-N115 PolarHBondContact O-ND2 2.71Å; R95-N115 PolarHBondContact N-OD1 3.22Å; N96-N115 PolarHBondContact N-OD1 3.23Å; L97-N115 HydrophobicContact CB-CB 4.13Å; L97-N115 PolarHBondContact N-OD1 3.29Å; F112-N115 PolarHBondContact O-ND2 2.96Å; Q113-N115 PolarHBondContact O-N 2.75Å; Q113-N115 PolarHBondContact O-ND2 3.19Å; N115-I117 HydrophobicContact CB-CD1 3.92Å; N115-I117 HydrophobicContact CB-CG1 4Å; N115-G138 PolarHBondContact N-O 3.37Å; N115-N139 WeakPolarHBondContact CA-OD1 3.31Å; N115-N139 WeakPolarHBondContact CB-OD1 3.39Å; N115-N139 PolarHBondContact N-OD1 3.15Å; N115-N139 PolarHBondContact O-OD1 3.36Å
116	Q	98.6	Very high	98.2	Very high	42 Å²	42	33.6 Å²	33.6	20%	0.196	17%	0.166	C	C	.	.			trans	-121.5	41.1	173.2	-55.7	89	46.4	0	0	110.3	N96 L97 K98	N96-Q116 VanDerWaalsContact CB-OE1 3.31Å; N96-Q116 PolarHBondContact O-OE1 3.32Å; N96-Q116 PolarHBondContact OD1-NE2 3.28Å; N96-Q116 PolarHBondContact OD1-OE1 2.75Å; L97-Q116 CarbonylContact O-C 3.45Å; L97-Q116 VanDerWaalsContact O-C 3.25Å; L97-Q116 WeakPolarHBondContact O-CA 3.35Å; L97-Q116 PolarHBondContact O-N 2.66Å; K98-Q116 HydrophobicContact CD-CB 3.97Å
117	I	98.8	Very high	98.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.			trans	-71.8	131.8	177.8	-63.5	160.5	0	0	0	108.2	L97 L100 F112 N115 S119 N139 Q140 I141	L97-I117 HydrophobicContact CB-CG1 4.4Å; L97-I117 PolarHBondContact O-N 3.04Å; L100-I117 HydrophobicContact CD2-CD1 3.59Å; L100-I117 HydrophobicContact CG-CD1 4.17Å; L100-I117 HydrophobicContact CG-CG2 4.07Å; F112-I117 HydrophobicContact CB-CD1 4.07Å; N115-I117 HydrophobicContact CB-CD1 3.92Å; N115-I117 HydrophobicContact CB-CG1 4Å; I117-S119 VanDerWaalsContact CG2-O 3.29Å; I117-S119 WeakPolarHBondContact CG2-O 3.4Å; I117-N139 HydrophobicContact CB-CB 4.37Å; I117-N139 VanDerWaalsContact CB-OD1 3.32Å; I117-N139 WeakPolarHBondContact CB-OD1 3.49Å; I117-N139 PolarHBondContact N-OD1 3.14Å; I117-Q140 CarbonylContact O-C 3.31Å; I117-Q140 VanDerWaalsContact O-C 3.27Å; I117-Q140 WeakPolarHBondContact O-CA 3.29Å; I117-Q140 PolarHBondContact O-N 3.15Å; I117-I141 HydrophobicContact CG2-CG1 4.23Å; I117-I141 PolarHBondContact O-N 2.92Å
118	T	98.6	Very high	98.2	Very high	43 Å²	43	37.5 Å²	37.5	26%	0.264	19%	0.19	S	C	.	.			trans	-110.1	-8.2	-179.3	68.7	0	0	0	0	114.1	Q140 K145	T118-Q140 WeakPolarHBondContact CA-O 3.1Å; T118-Q140 HydrophobicContact CG2-CB 4.19Å; T118-K145 WeakPolarHBondContact O-CB 3.27Å; T118-K145 WeakPolarHBondContact O-CD 3.2Å; T118-K145 PolarHBondContact OG1-NZ 2.92Å
119	S	98.6	Very high	98.1	Very high	34 Å²	34	36.7 Å²	36.7	24%	0.238	19%	0.193	C	C	.	.			trans	-149.7	150.4	-173	59.2	0	0	0	0	112.3	I117 K145	I117-S119 VanDerWaalsContact CG2-O 3.29Å; I117-S119 WeakPolarHBondContact CG2-O 3.4Å; S119-K145 WeakPolarHBondContact CA-O 3.32Å
120	I	98.6	Very high	98	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-112.6	97.1	167.7	-49	175.8	0	0	0	106.6	L100 V124 F125 L136 I141 K145 V146 G147 V150 F151 L162	L100-I120 HydrophobicContact CD1-CB 4.3Å; L100-I120 HydrophobicContact CD1-CG1 4.26Å; L100-I120 HydrophobicContact CD1-CG2 3.93Å; I120-V124 HydrophobicContact CG2-CG1 3.89Å; I120-F125 HydrophobicContact CG2-CE2 3.84Å; I120-F125 HydrophobicContact CG2-CZ 4.24Å; I120-L136 HydrophobicContact CD1-CD1 3.81Å; I120-L136 HydrophobicContact CG1-CD1 4.42Å; I120-I141 HydrophobicContact CD1-CD1 4.13Å; I120-I141 HydrophobicContact CD1-CG2 4.29Å; I120-I141 HydrophobicContact CG1-CD1 3.97Å; I120-I141 HydrophobicContact CG1-CG2 4.09Å; I120-K145 PolarHBondContact N-O 3.07Å; I120-V146 HydrophobicContact CD1-CG2 4.45Å; I120-G147 VanDerWaalsContact O-CA 3.3Å; I120-G147 WeakPolarHBondContact O-CA 3.37Å; I120-G147 PolarHBondContact O-N 3.39Å; I120-V150 HydrophobicContact CG2-CG1 4.2Å; I120-V150 HydrophobicContact CG2-CG2 3.77Å; I120-F151 HydrophobicContact CD1-CZ 3.88Å; I120-L162 HydrophobicContact CD1-CD2 4.1Å
121	Q	97.9	Very high	98	Very high	54 Å²	54	35.4 Å²	35.4	25%	0.252	20%	0.196	S	C	.	.			trans	-67.6	151.6	-174.5	71	-81.9	13.4	0	0	112.8	L100 G123 V124	L100-Q121 PolarHBondContact O-NE2 3.09Å; Q121-G123 PolarHBondContact O-N 3.21Å; Q121-V124 HydrophobicContact CG-CB 4.1Å; Q121-V124 WeakPolarHBondContact O-CG1 3.4Å; Q121-V124 PolarHBondContact O-N 3.17Å
122	E	97.4	Very high	98	Very high	132 Å²	132	35.4 Å²	35.4	62%	0.617	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	136.3	177.3	-173.3	170	180	0	0	111	V124	E122-V124 VanDerWaalsContact C-N 3.3Å; E122-V124 PolarHBondContact O-N 3.09Å
123	G	96.8	Very high	98	Very high	16 Å²	16	37.5 Å²	37.5	17%	0.165	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	-0.3	177.5	0	0	0	0	0	116.2	Q121 F125 D126	Q121-G123 PolarHBondContact O-N 3.21Å; G123-F125 PolarHBondContact O-N 3.05Å; G123-D126 WeakPolarHBondContact O-CB 3.27Å; G123-D126 PolarHBondContact O-N 2.79Å
124	V	98.2	Very high	98	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-29.1	-177.2	66.6	0	0	0	0	113.9	L100 P101 V103 I120 Q121 E122 V150	L100-V124 HydrophobicContact CB-CG2 3.88Å; P101-V124 WeakPolarHBondContact O-CG2 3.31Å; V103-V124 PolarHBondContact N-O 3Å; V103-V124 VanDerWaalsContact N-O 3.14Å; I120-V124 HydrophobicContact CG2-CG1 3.89Å; Q121-V124 HydrophobicContact CG-CB 4.1Å; Q121-V124 WeakPolarHBondContact O-CG1 3.4Å; Q121-V124 PolarHBondContact O-N 3.17Å; E122-V124 VanDerWaalsContact C-N 3.3Å; E122-V124 PolarHBondContact O-N 3.09Å; V124-V150 HydrophobicContact CG1-CG2 3.87Å
125	F	98.1	Very high	98	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	3.8	-179.6	-50.8	-55.4	0	0	0	114.2	L100 V103 F112 I120 G123 N127 A128 L131 I134 L136 V150 F151 L154	L100-F125 HydrophobicContact CD1-CZ 4.37Å; V103-F125 HydrophobicContact CB-CD1 4.42Å; V103-F125 HydrophobicContact CG2-CD1 3.63Å; V103-F125 HydrophobicContact CG2-CE1 3.87Å; F112-F125 HydrophobicContact CE2-CE1 4.38Å; I120-F125 HydrophobicContact CG2-CE2 3.84Å; I120-F125 HydrophobicContact CG2-CZ 4.24Å; G123-F125 PolarHBondContact O-N 3.05Å; F125-N127 VanDerWaalsContact C-N 3.27Å; F125-N127 PolarHBondContact O-N 2.99Å; F125-A128 PolarHBondContact O-N 2.99Å; F125-L131 HydrophobicContact CB-CD1 3.94Å; F125-L131 HydrophobicContact CD1-CD1 3.76Å; F125-L131 HydrophobicContact CG-CD1 4.06Å; F125-I134 HydrophobicContact CD1-CD1 4.44Å; F125-I134 HydrophobicContact CD2-CD1 4.27Å; F125-I134 HydrophobicContact CE1-CD1 4.31Å; F125-I134 HydrophobicContact CE2-CD1 4.14Å; F125-I134 HydrophobicContact CG-CD1 4.44Å; F125-I134 HydrophobicContact CZ-CD1 4.17Å; F125-I134 HydrophobicContact CZ-CG2 4.25Å; F125-L136 HydrophobicContact CZ-CD1 4.48Å; F125-V150 HydrophobicContact CD2-CG2 3.89Å; F125-V150 HydrophobicContact CE2-CG2 4.12Å; F125-F151 HydrophobicContact CD2-CD1 4.31Å; F125-F151 HydrophobicContact CD2-CE1 4.32Å; F125-F151 HydrophobicContact CE2-CD1 4.19Å; F125-F151 AromaticContact CE2-CE1 3.74Å; F125-F151 HydrophobicContact CE2-CE1 3.74Å; F125-L154 HydrophobicContact CB-CD1 4Å; F125-L154 HydrophobicContact CB-CD2 3.86Å; F125-L154 HydrophobicContact CB-CG 4.37Å; F125-L154 HydrophobicContact CD2-CD1 4.11Å; F125-L154 HydrophobicContact CG-CD1 4.19Å
126	D	97.1	Very high	98.1	Very high	54 Å²	54	32.5 Å²	32.5	29%	0.289	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-31	-168.9	-94.3	30.6	0	0	0	113.7	G123 T129 K153	G123-D126 WeakPolarHBondContact O-CB 3.27Å; G123-D126 PolarHBondContact O-N 2.79Å; D126-T129 WeakPolarHBondContact O-CG2 3.4Å; D126-K153 VanDerWaalsContact OD2-CE 3.31Å; D126-K153 WeakPolarHBondContact OD2-CE 3.38Å; D126-K153 IonicContact OD2-NZ 2.73Å; D126-K153 PolarHBondContact OD2-NZ 2.9Å
127	N	96	Very high	98.1	Very high	118 Å²	118	32.2 Å²	32.2	63%	0.631	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-28.9	176.8	-76.4	-6.6	0	0	0	112.8	S105 F125 T129	S105-N127 VanDerWaalsContact CA-O 3.31Å; S105-N127 WeakPolarHBondContact CA-O 3.23Å; S105-N127 WeakPolarHBondContact CB-O 3.1Å; F125-N127 VanDerWaalsContact C-N 3.27Å; F125-N127 PolarHBondContact O-N 2.99Å; N127-T129 PolarHBondContact O-N 2.78Å
128	A	97.2	Very high	98.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.19	C	C	.	.			trans	-95.7	59.4	-173.8	0	0	0	0	0	111	V103 F125 G130 L131	V103-A128 HydrophobicContact CB-CB 3.98Å; V103-A128 HydrophobicContact CG1-CB 3.56Å; F125-A128 PolarHBondContact O-N 2.99Å; A128-G130 PolarHBondContact O-N 2.91Å; A128-G130 VanDerWaalsContact O-N 3.09Å; A128-L131 HydrophobicContact CB-CD1 3.79Å; A128-L131 HydrophobicContact CB-CD2 4.47Å; A128-L131 HydrophobicContact CB-CG 3.8Å; A128-L131 VanDerWaalsContact O-CG 3.25Å; A128-L131 WeakPolarHBondContact O-CG 3.02Å; A128-L131 PolarHBondContact O-N 2.78Å
129	T	96.6	Very high	98.1	Very high	78 Å²	78	31.6 Å²	31.6	48%	0.479	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-15	-175.1	59.4	0	0	0	0	114	D126 N127	D126-T129 WeakPolarHBondContact O-CG2 3.4Å; N127-T129 PolarHBondContact O-N 2.78Å
130	G	97.8	Very high	98.1	Very high	26 Å²	26	34.6 Å²	34.6	27%	0.268	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	8.9	177.5	0	0	0	0	0	115	A128 L132	A128-G130 PolarHBondContact O-N 2.91Å; A128-G130 VanDerWaalsContact O-N 3.09Å; G130-L132 PolarHBondContact O-N 3.03Å
131	L	98.7	Very high	98.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.19	C	C	.	.			trans	-57.1	130.5	177.3	-78.3	168.8	0	0	0	111.5	M107 V110 F125 A128 I134 L154 H156 L157	M107-L131 HydrophobicContact CB-CD2 4.28Å; V110-L131 HydrophobicContact CB-CD2 4.4Å; V110-L131 HydrophobicContact CG1-CD2 3.66Å; V110-L131 HydrophobicContact CG2-CD2 3.9Å; F125-L131 HydrophobicContact CB-CD1 3.94Å; F125-L131 HydrophobicContact CD1-CD1 3.76Å; F125-L131 HydrophobicContact CG-CD1 4.06Å; A128-L131 HydrophobicContact CB-CD1 3.79Å; A128-L131 HydrophobicContact CB-CD2 4.47Å; A128-L131 HydrophobicContact CB-CG 3.8Å; A128-L131 VanDerWaalsContact O-CG 3.25Å; A128-L131 WeakPolarHBondContact O-CG 3.02Å; A128-L131 PolarHBondContact O-N 2.78Å; L131-I134 HydrophobicContact CD1-CD1 4.09Å; L131-I134 HydrophobicContact CD1-CG1 4.3Å; L131-L154 HydrophobicContact CB-CD2 4.37Å; L131-L154 HydrophobicContact CD1-CD1 4.24Å; L131-L154 HydrophobicContact CD1-CD2 4.13Å; L131-H156 CarbonylContact O-C 3.52Å; L131-L157 HydrophobicContact CB-CD1 4.37Å; L131-L157 VanDerWaalsContact O-CA 3.31Å; L131-L157 WeakPolarHBondContact O-CA 3.23Å; L131-L157 PolarHBondContact O-N 3.01Å
132	L	98.8	Very high	98.1	Very high	34 Å²	34	34.2 Å²	34.2	18%	0.178	19%	0.191	C	C	.	.			trans	-107.2	-42.7	175.1	-57.5	-178.4	0	0	0	110.4	K108 Y109 G130 H156 L157 E158 R159	K108-L132 HydrophobicContact CB-CD1 4.47Å; K108-L132 HydrophobicContact CB-CG 4.37Å; K108-L132 HydrophobicContact CD-CD1 4.35Å; K108-L132 PolarHBondContact O-N 3.14Å; Y109-L132 HydrophobicContact CE1-CB 4.42Å; Y109-L132 HydrophobicContact CE1-CD1 4.37Å; G130-L132 PolarHBondContact O-N 3.03Å; L132-H156 HydrophobicContact CD2-CB 3.96Å; L132-H156 WeakPolarHBondContact CD2-O 3.2Å; L132-L157 WeakPolarHBondContact O-CD1 3.48Å; L132-E158 PolarHBondContact O-N 2.67Å; L132-R159 PolarHBondContact O-N 2.87Å
133	W	98.8	Very high	98.2	Very high	44 Å²	44	28.6 Å²	28.6	17%	0.167	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.2	-176.4	-67.1	24.1	0	0	0	110.7	K108 Y109 V110 R159	K108-W133 PolarHBondContact O-N 2.03Å; K108-W133 VanDerWaalsContact O-N 3.11Å; Y109-W133 HydrophobicContact CD1-CB 3.92Å; Y109-W133 AromaticContact CD1-CD2 3.96Å; Y109-W133 HydrophobicContact CD1-CD2 3.96Å; Y109-W133 HydrophobicContact CD1-CE3 4.46Å; Y109-W133 AromaticContact CD1-CG 3.72Å; Y109-W133 HydrophobicContact CD1-CG 3.72Å; Y109-W133 HydrophobicContact CE1-CD2 4.29Å; Y109-W133 HydrophobicContact CE1-CG 4.14Å; V110-W133 PolarHBondContact N-O 3.39Å; V110-W133 VanDerWaalsContact N-O 3.15Å; W133-R159 WeakPolarHBondContact CA-O 3.07Å; W133-R159 HydrophobicContact CG-CB 4.17Å; W133-R159 VanDerWaalsContact NE1-NH1 3.16Å
134	I	98.8	Very high	98.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	113.1	170.4	-62.5	172.1	0	0	0	108.3	V110 F125 L131 L136 F151 L154 L157 R159 L160 Y161	V110-I134 HydrophobicContact CG2-CB 4.21Å; V110-I134 HydrophobicContact CG2-CG1 3.8Å; V110-I134 HydrophobicContact CG2-CG2 4.24Å; F125-I134 HydrophobicContact CD1-CD1 4.44Å; F125-I134 HydrophobicContact CD2-CD1 4.27Å; F125-I134 HydrophobicContact CE1-CD1 4.31Å; F125-I134 HydrophobicContact CE2-CD1 4.14Å; F125-I134 HydrophobicContact CG-CD1 4.44Å; F125-I134 HydrophobicContact CZ-CD1 4.17Å; F125-I134 HydrophobicContact CZ-CG2 4.25Å; L131-I134 HydrophobicContact CD1-CD1 4.09Å; L131-I134 HydrophobicContact CD1-CG1 4.3Å; I134-L136 HydrophobicContact CG2-CD1 3.52Å; I134-L136 HydrophobicContact CG2-CG 3.76Å; I134-F151 HydrophobicContact CD1-CD1 4.45Å; I134-F151 HydrophobicContact CD1-CE1 4.42Å; I134-L154 HydrophobicContact CD1-CD1 3.54Å; I134-L157 HydrophobicContact CB-CD1 4.41Å; I134-L157 HydrophobicContact CD1-CD1 3.69Å; I134-L157 HydrophobicContact CD1-CD2 4.23Å; I134-L157 HydrophobicContact CG1-CD1 3.71Å; I134-R159 PolarHBondContact N-O 3.02Å; I134-R159 VanDerWaalsContact N-O 3.09Å; I134-L160 HydrophobicContact CB-CD1 3.98Å; I134-L160 HydrophobicContact CG2-CD1 4.06Å; I134-Y161 PolarHBondContact O-N 2.85Å
135	A	98.9	Very high	98.2	Very high	5 Å²	5	38.7 Å²	38.7	4%	0.041	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	112.9	172.6	0	0	0	0	0	110.9	V110 Y111 F112 Q113 Y161	V110-A135 PolarHBondContact O-N 3.45Å; Y111-A135 HydrophobicContact CD1-CB 4.11Å; F112-A135 CarbonylContact C-O 3.42Å; F112-A135 WeakPolarHBondContact CA-O 3.31Å; F112-A135 WeakPolarHBondContact CB-O 3.28Å; F112-A135 PolarHBondContact N-O 2.66Å; Q113-A135 PolarHBondContact N-O 3.41Å; A135-Y161 HydrophobicContact CB-CD2 4.17Å
136	L	98.9	Very high	98.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.221	C	C	.	.			trans	-125.3	9.7	179.6	-76.1	162.4	0	0	0	112.4	L100 F112 I120 F125 I134 N139 I141 Y161 L162 N165	L100-L136 HydrophobicContact CD1-CD2 3.9Å; L100-L136 HydrophobicContact CD2-CD2 3.68Å; L100-L136 HydrophobicContact CG-CD2 4.33Å; F112-L136 HydrophobicContact CB-CD2 3.77Å; F112-L136 HydrophobicContact CD2-CD2 4.1Å; F112-L136 HydrophobicContact CG-CD2 4.24Å; I120-L136 HydrophobicContact CD1-CD1 3.81Å; I120-L136 HydrophobicContact CG1-CD1 4.42Å; F125-L136 HydrophobicContact CZ-CD1 4.48Å; I134-L136 HydrophobicContact CG2-CD1 3.52Å; I134-L136 HydrophobicContact CG2-CG 3.76Å; L136-N139 PolarHBondContact O-ND2 3.27Å; L136-I141 HydrophobicContact CB-CD1 4.18Å; L136-I141 HydrophobicContact CD2-CD1 4.25Å; L136-Y161 CarbonylContact C-O 3.1Å; L136-Y161 WeakPolarHBondContact CA-O 3.11Å; L136-Y161 WeakPolarHBondContact CB-O 3.44Å; L136-Y161 PolarHBondContact N-O 2.92Å; L136-L162 HydrophobicContact CB-CD2 3.81Å; L136-L162 HydrophobicContact CD1-CD2 3.95Å; L136-N165 PolarHBondContact O-ND2 3.37Å; L136-N165 VanDerWaalsContact O-ND2 3.09Å
137	H	98.7	Very high	98.3	Very high	35 Å²	35	38.3 Å²	38.3	16%	0.162	22%	0.215	C	C	.	.			trans	-66.9	158.3	-177.6	60	-104.2	0	0	0	113.2	Q113 N114 N139 Y161 D163	Q113-H137 CarbonylContact C-O 3.59Å; Q113-H137 WeakPolarHBondContact CA-O 3.45Å; Q113-H137 WeakPolarHBondContact CB-CD2 3.18Å; Q113-H137 WeakPolarHBondContact CB-NE2 3.42Å; Q113-H137 VanDerWaalsContact CB-O 3.3Å; Q113-H137 WeakPolarHBondContact CB-O 3.27Å; Q113-H137 WeakPolarHBondContact CG-NE2 3.17Å; N114-H137 PolarHBondContact N-O 3.05Å; H137-N139 PolarHBondContact O-ND2 2.99Å; H137-Y161 PolarHBondContact N-O 2.66Å; H137-D163 WeakPolarHBondContact CA-O 3.42Å; H137-D163 VanDerWaalsContact CB-CG 3.41Å; H137-D163 VanDerWaalsContact CB-O 3.3Å; H137-D163 WeakPolarHBondContact CB-O 3.3Å; H137-D163 WeakPolarHBondContact CB-OD1 3.44Å; H137-D163 VanDerWaalsContact CB-OD2 3.25Å; H137-D163 WeakPolarHBondContact CB-OD2 3.35Å; H137-D163 IonicContact CG-OD1 2.73Å; H137-D163 IonicContact CG-OD2 2.79Å
138	G	98.6	Very high	98.3	Very high	22 Å²	22	40.8 Å²	40.8	23%	0.227	22%	0.215	C	C	.	.	S	Bend	trans	65.6	45.9	-179.5	0	0	0	0	0	112.3	N114 N115 D163 H164	N114-G138 WeakPolarHBondContact CA-O 3.41Å; N114-G138 PolarHBondContact N-O 2.94Å; N115-G138 PolarHBondContact N-O 3.37Å; G138-D163 PolarHBondContact N-O 3.44Å; G138-H164 WeakPolarHBondContact CA-O 3.35Å; G138-H164 PolarHBondContact N-O 3.48Å
139	N	98.8	Very high	98.2	Very high	9 Å²	9	46.1 Å²	46.1	5%	0.048	24%	0.238	C	C	.	.	S	Bend	trans	-128.7	-170.8	177.9	-83.7	-72.6	0	0	0	110.1	F112 N115 I117 L136 H137 I141 H164 N165	F112-N139 PolarHBondContact O-ND2 3.4Å; N115-N139 WeakPolarHBondContact CA-OD1 3.31Å; N115-N139 WeakPolarHBondContact CB-OD1 3.39Å; N115-N139 PolarHBondContact N-OD1 3.15Å; N115-N139 PolarHBondContact O-OD1 3.36Å; I117-N139 HydrophobicContact CB-CB 4.37Å; I117-N139 VanDerWaalsContact CB-OD1 3.32Å; I117-N139 WeakPolarHBondContact CB-OD1 3.49Å; I117-N139 PolarHBondContact N-OD1 3.14Å; L136-N139 PolarHBondContact O-ND2 3.27Å; H137-N139 PolarHBondContact O-ND2 2.99Å; N139-I141 HydrophobicContact CB-CD1 4.18Å; N139-I141 HydrophobicContact CB-CG1 4.09Å; N139-H164 PolarHBondContact N-O 2.72Å; N139-H164 VanDerWaalsContact N-O 3.09Å; N139-H164 VanDerWaalsContact O-O 3.14Å; N139-N165 WeakPolarHBondContact CA-OD1 3.43Å; N139-N165 WeakPolarHBondContact CB-OD1 3.49Å; N139-N165 PolarHBondContact O-OD1 3.22Å
140	Q	98.8	Very high	98.2	Very high	97 Å²	97	42.7 Å²	42.7	45%	0.453	22%	0.217	S	C	.	.			trans	-120.5	34.3	-178.2	-61.8	174.6	25.1	0	0	111	I117 T118 T142 N165 N166	I117-Q140 CarbonylContact O-C 3.31Å; I117-Q140 VanDerWaalsContact O-C 3.27Å; I117-Q140 WeakPolarHBondContact O-CA 3.29Å; I117-Q140 PolarHBondContact O-N 3.15Å; T118-Q140 WeakPolarHBondContact CA-O 3.1Å; T118-Q140 HydrophobicContact CG2-CB 4.19Å; Q140-T142 PolarHBondContact O-N 3.02Å; Q140-N165 PolarHBondContact N-OD1 3.03Å; Q140-N166 WeakPolarHBondContact CA-OD1 3.34Å
141	I	98.8	Very high	98.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.205	C	C	.	.			trans	-71.3	128	-174.7	-59.5	165.8	0	0	0	109.1	I117 I120 L136 N139 V146 L162 N165 N166 L167	I117-I141 HydrophobicContact CG2-CG1 4.23Å; I117-I141 PolarHBondContact O-N 2.92Å; I120-I141 HydrophobicContact CD1-CD1 4.13Å; I120-I141 HydrophobicContact CD1-CG2 4.29Å; I120-I141 HydrophobicContact CG1-CD1 3.97Å; I120-I141 HydrophobicContact CG1-CG2 4.09Å; L136-I141 HydrophobicContact CB-CD1 4.18Å; L136-I141 HydrophobicContact CD2-CD1 4.25Å; N139-I141 HydrophobicContact CB-CD1 4.18Å; N139-I141 HydrophobicContact CB-CG1 4.09Å; I141-V146 HydrophobicContact CG2-CG2 3.96Å; I141-L162 HydrophobicContact CD1-CD2 4.3Å; I141-N165 HydrophobicContact CB-CB 4.44Å; I141-N165 WeakPolarHBondContact CB-OD1 3.33Å; I141-N165 VanDerWaalsContact CG1-OD1 3.27Å; I141-N165 WeakPolarHBondContact CG1-OD1 3.47Å; I141-N165 PolarHBondContact N-OD1 3.14Å; I141-N166 CarbonylContact O-C 3.12Å; I141-N166 VanDerWaalsContact O-CA 3.3Å; I141-N166 WeakPolarHBondContact O-CA 3.3Å; I141-N166 PolarHBondContact O-N 3.12Å; I141-L167 HydrophobicContact CG2-CD2 4.04Å; I141-L167 PolarHBondContact O-N 3.32Å
142	T	98.7	Very high	98	Very high	46 Å²	46	43.9 Å²	43.9	28%	0.282	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-103.8	148.5	174.6	65.6	0	0	0	0	111.4	Q140 D144 K145 N166	Q140-T142 PolarHBondContact O-N 3.02Å; T142-D144 PolarHBondContact O-N 3.15Å; T142-D144 VanDerWaalsContact O-N 3.14Å; T142-K145 PolarHBondContact O-N 3.17Å; T142-K145 WeakPolarHBondContact OG1-CG 3.42Å; T142-N166 HydrophobicContact CG2-CB 3.95Å
143	S	98.4	Very high	97.8	Very high	14 Å²	14	47.6 Å²	47.6	10%	0.098	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-59.5	-27.8	-177.1	-62.1	0	0	0	0	114.3	K145 L167 T168 R169	S143-K145 VanDerWaalsContact C-N 3.26Å; S143-K145 PolarHBondContact O-N 3.05Å; S143-L167 WeakPolarHBondContact OG-CA 3.18Å; S143-T168 PolarHBondContact OG-N 3.3Å; S143-R169 PolarHBondContact O-NH2 3.26Å; S143-R169 PolarHBondContact OG-N 3.23Å; S143-R169 PolarHBondContact OG-O 3.28Å
144	D	98.2	Very high	97.7	Very high	125 Å²	125	45.5 Å²	45.5	67%	0.668	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-74.1	-18.9	177.1	-61.7	-31.1	0	0	0	112.8	T142 R169	T142-D144 PolarHBondContact O-N 3.15Å; T142-D144 VanDerWaalsContact O-N 3.14Å; D144-R169 IonicContact OD1-CZ 3.26Å; D144-R169 VanDerWaalsContact OD1-CZ 3.28Å; D144-R169 IonicContact OD1-NH1 3.25Å; D144-R169 PolarHBondContact OD1-NH1 2.83Å; D144-R169 IonicContact OD1-NH2 2.87Å; D144-R169 PolarHBondContact OD1-NH2 3.07Å
145	K	98.4	Very high	97.7	Very high	104 Å²	104	55 Å²	55	45%	0.452	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-104.4	14	-178.3	-67.8	-178.1	172.4	-176.1	0	113	T118 S119 I120 T142 S143	T118-K145 WeakPolarHBondContact O-CB 3.27Å; T118-K145 WeakPolarHBondContact O-CD 3.2Å; T118-K145 PolarHBondContact OG1-NZ 2.92Å; S119-K145 WeakPolarHBondContact CA-O 3.32Å; I120-K145 PolarHBondContact N-O 3.07Å; T142-K145 PolarHBondContact O-N 3.17Å; T142-K145 WeakPolarHBondContact OG1-CG 3.42Å; S143-K145 VanDerWaalsContact C-N 3.26Å; S143-K145 PolarHBondContact O-N 3.05Å
146	V	98.5	Very high	97.6	Very high	33 Å²	33	60.3 Å²	60.3	20%	0.2	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-88.5	116.4	169.9	-179.8	0	0	0	0	108.6	I120 I141 V150 F151 L167	I120-V146 HydrophobicContact CD1-CG2 4.45Å; I141-V146 HydrophobicContact CG2-CG2 3.96Å; V146-V150 HydrophobicContact CG1-CG1 4.04Å; V146-F151 HydrophobicContact CG1-CE2 4.42Å; V146-L167 HydrophobicContact CG2-CD2 4.16Å
147	G	97.5	Very high	97.6	Very high	15 Å²	15	60.3 Å²	60.3	16%	0.155	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-56.9	144.2	-176.8	0	0	0	0	0	112.7	I120 K149 V150	I120-G147 VanDerWaalsContact O-CA 3.3Å; I120-G147 WeakPolarHBondContact O-CA 3.37Å; I120-G147 PolarHBondContact O-N 3.39Å; G147-K149 PolarHBondContact O-N 2.82Å; G147-V150 WeakPolarHBondContact O-CB 3.39Å; G147-V150 WeakPolarHBondContact O-CG1 3.41Å; G147-V150 PolarHBondContact O-N 2.9Å
148	R	95.9	Very high	97.6	Very high	169 Å²	169	61 Å²	61	64%	0.638	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	126.4	-177.9	-177.5	172.7	-177.6	-103.4	7.9	110.2	V150	R148-V150 PolarHBondContact O-N 3.44Å; R148-V150 VanDerWaalsContact O-N 3.08Å
149	K	95.3	Very high	97.6	Very high	113 Å²	113	62.5 Å²	62.5	49%	0.491	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	25.2	177.1	-65.3	-177.5	179.3	-176	0	114	G147 F151 S152 P173	G147-K149 PolarHBondContact O-N 2.82Å; K149-F151 PolarHBondContact O-N 2.91Å; K149-F151 VanDerWaalsContact O-N 3.12Å; K149-S152 WeakPolarHBondContact CA-OG 3.39Å; K149-S152 WeakPolarHBondContact CB-OG 3.29Å; K149-S152 VanDerWaalsContact O-CB 3.3Å; K149-S152 WeakPolarHBondContact O-CB 3.44Å; K149-S152 PolarHBondContact O-N 3.29Å; K149-S152 PolarHBondContact O-OG 2.8Å; K149-P173 HydrophobicContact CG-CG 4.45Å
150	V	97.8	Very high	97.6	Very high	5 Å²	5	62 Å²	62	3%	0.03	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.8	-172.5	68.4	0	0	0	0	113.9	I120 V124 F125 V146 G147 R148	I120-V150 HydrophobicContact CG2-CG1 4.2Å; I120-V150 HydrophobicContact CG2-CG2 3.77Å; V124-V150 HydrophobicContact CG1-CG2 3.87Å; F125-V150 HydrophobicContact CD2-CG2 3.89Å; F125-V150 HydrophobicContact CE2-CG2 4.12Å; V146-V150 HydrophobicContact CG1-CG1 4.04Å; G147-V150 WeakPolarHBondContact O-CB 3.39Å; G147-V150 WeakPolarHBondContact O-CG1 3.41Å; G147-V150 PolarHBondContact O-N 2.9Å; R148-V150 PolarHBondContact O-N 3.44Å; R148-V150 VanDerWaalsContact O-N 3.08Å
151	F	97.5	Very high	97.7	Very high	3 Å²	3	58.2 Å²	58.2	1%	0.013	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-4.5	177.3	-53.2	-64.6	0	0	0	114.2	I120 F125 I134 V146 K149 K153 L154 L160 L162 L174	I120-F151 HydrophobicContact CD1-CZ 3.88Å; F125-F151 HydrophobicContact CD2-CD1 4.31Å; F125-F151 HydrophobicContact CD2-CE1 4.32Å; F125-F151 HydrophobicContact CE2-CD1 4.19Å; F125-F151 AromaticContact CE2-CE1 3.74Å; F125-F151 HydrophobicContact CE2-CE1 3.74Å; I134-F151 HydrophobicContact CD1-CD1 4.45Å; I134-F151 HydrophobicContact CD1-CE1 4.42Å; V146-F151 HydrophobicContact CG1-CE2 4.42Å; K149-F151 PolarHBondContact O-N 2.91Å; K149-F151 VanDerWaalsContact O-N 3.12Å; F151-K153 VanDerWaalsContact C-N 3.28Å; F151-K153 PolarHBondContact O-N 3.02Å; F151-L154 HydrophobicContact CD1-CD1 4.23Å; F151-L154 PolarHBondContact O-N 3.05Å; F151-L160 HydrophobicContact CE1-CD1 4.04Å; F151-L160 HydrophobicContact CE1-CD2 4.42Å; F151-L160 HydrophobicContact CE2-CD2 4.4Å; F151-L160 HydrophobicContact CZ-CD1 4.28Å; F151-L160 HydrophobicContact CZ-CD2 4.3Å; F151-L162 HydrophobicContact CZ-CD1 4.37Å; F151-L174 HydrophobicContact CD2-CD2 4.17Å
152	S	92.8	Very high	97.7	Very high	48 Å²	48	58.3 Å²	58.3	34%	0.336	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-22.5	-168.2	-61.5	0	0	0	0	114.6	K149 P173	K149-S152 WeakPolarHBondContact CA-OG 3.39Å; K149-S152 WeakPolarHBondContact CB-OG 3.29Å; K149-S152 VanDerWaalsContact O-CB 3.3Å; K149-S152 WeakPolarHBondContact O-CB 3.44Å; K149-S152 PolarHBondContact O-N 3.29Å; K149-S152 PolarHBondContact O-OG 2.8Å; S152-P173 WeakPolarHBondContact OG-CG 3.42Å
153	K	95.2	Very high	97.7	Very high	112 Å²	112	56.9 Å²	56.9	49%	0.487	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-12.1	179.5	-66.7	-170.3	-175.7	-171.7	0	113.7	D126 F151 R155	D126-K153 VanDerWaalsContact OD2-CE 3.31Å; D126-K153 WeakPolarHBondContact OD2-CE 3.38Å; D126-K153 IonicContact OD2-NZ 2.73Å; D126-K153 PolarHBondContact OD2-NZ 2.9Å; F151-K153 VanDerWaalsContact C-N 3.28Å; F151-K153 PolarHBondContact O-N 3.02Å; K153-R155 VanDerWaalsContact C-N 3.27Å; K153-R155 PolarHBondContact O-N 3.45Å
154	L	97.9	Very high	97.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.275	C	S	.	.			trans	-86.2	67.3	-173.2	-50.5	-177.4	0	0	0	110.7	F125 L131 I134 F151 H156 L157 P175	F125-L154 HydrophobicContact CB-CD1 4Å; F125-L154 HydrophobicContact CB-CD2 3.86Å; F125-L154 HydrophobicContact CB-CG 4.37Å; F125-L154 HydrophobicContact CD2-CD1 4.11Å; F125-L154 HydrophobicContact CG-CD1 4.19Å; L131-L154 HydrophobicContact CB-CD2 4.37Å; L131-L154 HydrophobicContact CD1-CD1 4.24Å; L131-L154 HydrophobicContact CD1-CD2 4.13Å; I134-L154 HydrophobicContact CD1-CD1 3.54Å; F151-L154 HydrophobicContact CD1-CD1 4.23Å; F151-L154 PolarHBondContact O-N 3.05Å; L154-H156 PolarHBondContact O-N 2.96Å; L154-L157 HydrophobicContact CB-CB 3.94Å; L154-L157 HydrophobicContact CD1-CD2 4.32Å; L154-L157 WeakPolarHBondContact O-CB 3.37Å; L154-L157 PolarHBondContact O-N 3.26Å; L154-L157 VanDerWaalsContact O-N 3.14Å; L154-P175 WeakPolarHBondContact O-CB 3.35Å
155	R	97.3	Very high	97.7	Very high	199 Å²	199	54.7 Å²	54.7	75%	0.751	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-8.2	-172.5	-63.1	-175	178.9	-167.9	1	114.9	K153 S177	K153-R155 VanDerWaalsContact C-N 3.27Å; K153-R155 PolarHBondContact O-N 3.45Å; R155-S177 VanDerWaalsContact O-CB 3.23Å; R155-S177 WeakPolarHBondContact O-CB 3.42Å; R155-S177 PolarHBondContact O-OG 3.12Å
156	H	98.3	Very high	97.7	Very high	117 Å²	117	52.8 Å²	52.8	54%	0.542	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	4.2	179.9	-59.5	-63.9	0	0	0	112.7	L131 L132 L154 E158	L131-H156 CarbonylContact O-C 3.52Å; L132-H156 HydrophobicContact CD2-CB 3.96Å; L132-H156 WeakPolarHBondContact CD2-O 3.2Å; L154-H156 PolarHBondContact O-N 2.96Å; H156-E158 WeakPolarHBondContact O-CG 3.38Å; H156-E158 PolarHBondContact O-N 2.91Å
157	L	98.7	Very high	97.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	23%	0.229	C	C	.	.			trans	-63.2	124.4	-179.7	-170.6	73.3	0	0	0	110	L131 L132 I134 L154 L160 P175 S177 L178	L131-L157 HydrophobicContact CB-CD1 4.37Å; L131-L157 VanDerWaalsContact O-CA 3.31Å; L131-L157 WeakPolarHBondContact O-CA 3.23Å; L131-L157 PolarHBondContact O-N 3.01Å; L132-L157 WeakPolarHBondContact O-CD1 3.48Å; I134-L157 HydrophobicContact CB-CD1 4.41Å; I134-L157 HydrophobicContact CD1-CD1 3.69Å; I134-L157 HydrophobicContact CD1-CD2 4.23Å; I134-L157 HydrophobicContact CG1-CD1 3.71Å; L154-L157 HydrophobicContact CB-CB 3.94Å; L154-L157 HydrophobicContact CD1-CD2 4.32Å; L154-L157 WeakPolarHBondContact O-CB 3.37Å; L154-L157 PolarHBondContact O-N 3.26Å; L154-L157 VanDerWaalsContact O-N 3.14Å; L157-L160 HydrophobicContact CD2-CB 4.3Å; L157-P175 HydrophobicContact CB-CG 3.76Å; L157-P175 HydrophobicContact CD2-CG 3.72Å; L157-P175 HydrophobicContact CG-CG 4.33Å; L157-S177 PolarHBondContact N-OG 3.45Å; L157-S177 VanDerWaalsContact N-OG 3.12Å; L157-S177 CarbonylContact O-C 3.12Å; L157-S177 VanDerWaalsContact O-CB 3.29Å; L157-S177 WeakPolarHBondContact O-CB 3.26Å; L157-S177 PolarHBondContact O-OG 2.96Å; L157-L178 HydrophobicContact CD2-CD2 3.92Å; L157-L178 HydrophobicContact CG-CD2 3.95Å; L157-L178 WeakPolarHBondContact O-CA 3.28Å; L157-L178 PolarHBondContact O-N 3.2Å
158	E	98.8	Very high	97.8	Very high	49 Å²	49	53.2 Å²	53.2	23%	0.229	24%	0.238	C	C	.	.			trans	-106.7	-36.8	-178.1	-60.4	-166.1	131.3	0	0	112	L132 H156 R179 E180	L132-E158 PolarHBondContact O-N 2.67Å; H156-E158 WeakPolarHBondContact O-CG 3.38Å; H156-E158 PolarHBondContact O-N 2.91Å; E158-R179 HydrophobicContact CB-CG 4.38Å; E158-R179 PolarHBondContact O-N 3.47Å; E158-R179 IonicContact OE1-CZ 3.52Å; E158-R179 IonicContact OE1-NE 2.95Å; E158-R179 PolarHBondContact OE1-NE 2.89Å; E158-R179 IonicContact OE1-NH2 3.25Å; E158-R179 PolarHBondContact OE1-NH2 3.19Å; E158-E180 PolarHBondContact O-N 3.5Å; E158-E180 VanDerWaalsContact O-N 3.09Å
159	R	98.9	Very high	97.9	Very high	54 Å²	54	50.5 Å²	50.5	20%	0.204	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	127.8	-176.1	-58.3	-165.9	168.2	79	5.5	111.8	L132 W133 I134 Y161 E180	L132-R159 PolarHBondContact O-N 2.87Å; W133-R159 WeakPolarHBondContact CA-O 3.07Å; W133-R159 HydrophobicContact CG-CB 4.17Å; W133-R159 VanDerWaalsContact NE1-NH1 3.16Å; I134-R159 PolarHBondContact N-O 3.02Å; I134-R159 VanDerWaalsContact N-O 3.09Å; R159-Y161 HydrophobicContact CB-CE2 3.82Å; R159-Y161 VanDerWaalsContact CD-OH 3.31Å; R159-Y161 WeakPolarHBondContact CD-OH 3.33Å; R159-E180 WeakPolarHBondContact CD-OE2 3.47Å; R159-E180 HydrophobicContact CG-CB 4.19Å; R159-E180 IonicContact CZ-OE1 3.47Å; R159-E180 VanDerWaalsContact CZ-OE1 3.3Å; R159-E180 IonicContact CZ-OE2 2.78Å; R159-E180 IonicContact NE-OE1 3.21Å; R159-E180 PolarHBondContact NE-OE1 3.14Å; R159-E180 IonicContact NE-OE2 3.3Å; R159-E180 PolarHBondContact NE-OE2 3.37Å; R159-E180 IonicContact NH2-OE1 3.55Å; R159-E180 PolarHBondContact NH2-OE1 3.44Å
160	L	98.8	Very high	98.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	117.9	177.2	178.9	61.2	0	0	0	110	I134 F151 L157 L162 L174 L178 E180 L181 H182	I134-L160 HydrophobicContact CB-CD1 3.98Å; I134-L160 HydrophobicContact CG2-CD1 4.06Å; F151-L160 HydrophobicContact CE1-CD1 4.04Å; F151-L160 HydrophobicContact CE1-CD2 4.42Å; F151-L160 HydrophobicContact CE2-CD2 4.4Å; F151-L160 HydrophobicContact CZ-CD1 4.28Å; F151-L160 HydrophobicContact CZ-CD2 4.3Å; L157-L160 HydrophobicContact CD2-CB 4.3Å; L160-L162 HydrophobicContact CD1-CD1 4.24Å; L160-L162 HydrophobicContact CD1-CG 4.17Å; L160-L162 HydrophobicContact CD2-CD1 3.87Å; L160-L162 HydrophobicContact CG-CD1 4.01Å; L160-L162 HydrophobicContact CG-CG 4.18Å; L160-L174 HydrophobicContact CD2-CD2 3.85Å; L160-L178 HydrophobicContact CB-CD2 3.93Å; L160-E180 PolarHBondContact N-O 3.37Å; L160-L181 HydrophobicContact CB-CD1 4.07Å; L160-L181 HydrophobicContact CD2-CD1 3.97Å; L160-L181 HydrophobicContact CG-CD1 4.12Å; L160-H182 PolarHBondContact O-N 3.09Å
161	Y	98.9	Very high	98.1	Very high	17 Å²	17	46.6 Å²	46.6	7%	0.067	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.7	177.5	-51.8	-94.9	0	0	0	110.3	I134 A135 L136 H137 R159 H182	I134-Y161 PolarHBondContact O-N 2.85Å; A135-Y161 HydrophobicContact CB-CD2 4.17Å; L136-Y161 CarbonylContact C-O 3.1Å; L136-Y161 WeakPolarHBondContact CA-O 3.11Å; L136-Y161 WeakPolarHBondContact CB-O 3.44Å; L136-Y161 PolarHBondContact N-O 2.92Å; H137-Y161 PolarHBondContact N-O 2.66Å; R159-Y161 HydrophobicContact CB-CE2 3.82Å; R159-Y161 VanDerWaalsContact CD-OH 3.31Å; R159-Y161 WeakPolarHBondContact CD-OH 3.33Å; Y161-H182 HydrophobicContact CD1-CB 4.07Å; Y161-H182 AromaticContact CD1-CD2 3.37Å; Y161-H182 WeakPolarHBondContact CD1-CD2 3.46Å; Y161-H182 AromaticContact CD1-CG 3.66Å; Y161-H182 AromaticContact CD1-NE2 3.88Å; Y161-H182 AromaticContact CE1-CD2 3.38Å; Y161-H182 WeakPolarHBondContact CE1-CD2 3.41Å; Y161-H182 AromaticContact CE1-NE2 3.44Å; Y161-H182 WeakPolarHBondContact CE1-NE2 3.38Å
162	L	98.9	Very high	97.9	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	23%	0.234	C	C	.	.			trans	-129.2	13.4	178	-77.7	170.4	0	0	0	111.5	I120 L136 I141 F151 L160 N165 L167 P171 H182 L183 N186	I120-L162 HydrophobicContact CD1-CD2 4.1Å; L136-L162 HydrophobicContact CB-CD2 3.81Å; L136-L162 HydrophobicContact CD1-CD2 3.95Å; I141-L162 HydrophobicContact CD1-CD2 4.3Å; F151-L162 HydrophobicContact CZ-CD1 4.37Å; L160-L162 HydrophobicContact CD1-CD1 4.24Å; L160-L162 HydrophobicContact CD1-CG 4.17Å; L160-L162 HydrophobicContact CD2-CD1 3.87Å; L160-L162 HydrophobicContact CG-CD1 4.01Å; L160-L162 HydrophobicContact CG-CG 4.18Å; L162-N165 PolarHBondContact O-ND2 2.71Å; L162-L167 HydrophobicContact CB-CD1 4.07Å; L162-L167 HydrophobicContact CD1-CD1 4.42Å; L162-P171 HydrophobicContact CD1-CB 4.38Å; L162-P171 HydrophobicContact CD1-CG 3.91Å; L162-H182 CarbonylContact C-O 3.49Å; L162-H182 WeakPolarHBondContact CA-O 3.37Å; L162-H182 PolarHBondContact N-O 3Å; L162-L183 HydrophobicContact CB-CD2 3.8Å; L162-L183 HydrophobicContact CD1-CD2 4.23Å; L162-N186 PolarHBondContact O-ND2 3.38Å
163	D	98.9	Very high	98.1	Very high	16 Å²	16	49.8 Å²	49.8	9%	0.086	24%	0.24	C	C	.	.			trans	-62.9	160.7	174.4	58.3	-75.2	0	0	0	111.9	H137 G138 N165 H182 D184	H137-D163 WeakPolarHBondContact CA-O 3.42Å; H137-D163 VanDerWaalsContact CB-CG 3.41Å; H137-D163 VanDerWaalsContact CB-O 3.3Å; H137-D163 WeakPolarHBondContact CB-O 3.3Å; H137-D163 WeakPolarHBondContact CB-OD1 3.44Å; H137-D163 VanDerWaalsContact CB-OD2 3.25Å; H137-D163 WeakPolarHBondContact CB-OD2 3.35Å; H137-D163 IonicContact CG-OD1 2.73Å; H137-D163 IonicContact CG-OD2 2.79Å; G138-D163 PolarHBondContact N-O 3.44Å; D163-N165 PolarHBondContact O-N 2.91Å; D163-N165 PolarHBondContact O-ND2 3.08Å; D163-H182 HydrophobicContact CB-CB 4.14Å; D163-H182 PolarHBondContact N-O 3.27Å; D163-H182 WeakPolarHBondContact OD1-CB 3.39Å; D163-D184 CarbonylContact C-O 3.48Å; D163-D184 WeakPolarHBondContact CA-O 3.31Å; D163-D184 VanDerWaalsContact CB-O 3.27Å; D163-D184 WeakPolarHBondContact CB-O 3.22Å; D163-D184 WeakPolarHBondContact CB-OD1 3.25Å
164	H	98.8	Very high	98.2	Very high	88 Å²	88	45.3 Å²	45.3	41%	0.407	22%	0.222	S	C	.	.	S	Bend	trans	53	56.8	-179.3	-60.9	84.6	0	0	0	112.8	G138 N139 D184 H185	G138-H164 WeakPolarHBondContact CA-O 3.35Å; G138-H164 PolarHBondContact N-O 3.48Å; N139-H164 PolarHBondContact N-O 2.72Å; N139-H164 VanDerWaalsContact N-O 3.09Å; N139-H164 VanDerWaalsContact O-O 3.14Å; H164-D184 PolarHBondContact N-O 3.45Å; H164-D184 VanDerWaalsContact N-O 3.07Å; H164-H185 VanDerWaalsContact CA-O 3.3Å; H164-H185 WeakPolarHBondContact CA-O 3.3Å; H164-H185 AromaticContact CD2-CG 3.89Å; H164-H185 AromaticContact CE1-CG 3.58Å; H164-H185 AromaticContact CE1-ND1 3.43Å; H164-H185 PolarHBondContact CE1-ND1 3.35Å; H164-H185 PolarHBondContact N-O 3.09Å; H164-H185 AromaticContact NE2-CD2 3.69Å; H164-H185 AromaticContact NE2-CG 3.38Å; H164-H185 AromaticContact NE2-ND1 3.64Å
165	N	98.9	Very high	98.2	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.027	23%	0.225	C	C	.	.	S	Bend	trans	-134.3	-169.7	176.7	-87.6	-82.3	0	0	0	110.5	L136 N139 Q140 I141 L162 D163 L167 H185 N186 Q187	L136-N165 PolarHBondContact O-ND2 3.37Å; L136-N165 VanDerWaalsContact O-ND2 3.09Å; N139-N165 WeakPolarHBondContact CA-OD1 3.43Å; N139-N165 WeakPolarHBondContact CB-OD1 3.49Å; N139-N165 PolarHBondContact O-OD1 3.22Å; Q140-N165 PolarHBondContact N-OD1 3.03Å; I141-N165 HydrophobicContact CB-CB 4.44Å; I141-N165 WeakPolarHBondContact CB-OD1 3.33Å; I141-N165 VanDerWaalsContact CG1-OD1 3.27Å; I141-N165 WeakPolarHBondContact CG1-OD1 3.47Å; I141-N165 PolarHBondContact N-OD1 3.14Å; L162-N165 PolarHBondContact O-ND2 2.71Å; D163-N165 PolarHBondContact O-N 2.91Å; D163-N165 PolarHBondContact O-ND2 3.08Å; N165-L167 HydrophobicContact CB-CG 4.22Å; N165-H185 PolarHBondContact N-O 3.03Å; N165-N186 WeakPolarHBondContact CA-OD1 3.13Å; N165-N186 WeakPolarHBondContact CB-OD1 3.27Å; N165-N186 PolarHBondContact N-OD1 3.08Å; N165-N186 PolarHBondContact O-OD1 3.04Å; N165-Q187 PolarHBondContact O-NE2 3.31Å; N165-Q187 VanDerWaalsContact O-NE2 3.14Å
166	N	98.8	Very high	98.2	Very high	63 Å²	63	44.9 Å²	44.9	34%	0.337	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-110.6	35.7	178.6	-64.8	100.6	0	0	0	112.3	Q140 I141 T142 T168 N186 Q187	Q140-N166 WeakPolarHBondContact CA-OD1 3.34Å; I141-N166 CarbonylContact O-C 3.12Å; I141-N166 VanDerWaalsContact O-CA 3.3Å; I141-N166 WeakPolarHBondContact O-CA 3.3Å; I141-N166 PolarHBondContact O-N 3.12Å; T142-N166 HydrophobicContact CG2-CB 3.95Å; N166-T168 PolarHBondContact O-N 2.87Å; N166-N186 PolarHBondContact N-OD1 3.03Å; N166-Q187 PolarHBondContact ND2-OE1 2.96Å
167	L	98.8	Very high	98.2	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.202	C	C	.	.			trans	-73.9	126	179.8	-57.6	177.7	0	0	0	109.8	I141 S143 V146 L162 N165 L183 N186 Q187 I188	I141-L167 HydrophobicContact CG2-CD2 4.04Å; I141-L167 PolarHBondContact O-N 3.32Å; S143-L167 WeakPolarHBondContact OG-CA 3.18Å; V146-L167 HydrophobicContact CG2-CD2 4.16Å; L162-L167 HydrophobicContact CB-CD1 4.07Å; L162-L167 HydrophobicContact CD1-CD1 4.42Å; N165-L167 HydrophobicContact CB-CG 4.22Å; L167-L183 HydrophobicContact CD1-CD2 3.86Å; L167-N186 HydrophobicContact CB-CB 4.2Å; L167-N186 VanDerWaalsContact CB-OD1 3.22Å; L167-N186 WeakPolarHBondContact CB-OD1 3.22Å; L167-N186 VanDerWaalsContact CG-OD1 3.31Å; L167-N186 WeakPolarHBondContact CG-OD1 3.45Å; L167-N186 PolarHBondContact N-OD1 2.94Å; L167-Q187 CarbonylContact O-C 3.52Å; L167-Q187 WeakPolarHBondContact O-CA 3.1Å; L167-Q187 PolarHBondContact O-N 3.06Å; L167-I188 HydrophobicContact CB-CG1 4.27Å; L167-I188 PolarHBondContact O-N 3.3Å; L167-I188 VanDerWaalsContact O-N 3.16Å
168	T	98.7	Very high	98.2	Very high	56 Å²	56	40.2 Å²	40.2	34%	0.344	20%	0.202	S	C	.	.			trans	-101.2	-11.6	176.4	55.9	0	0	0	0	113	S143 N166 Q187 S189	S143-T168 PolarHBondContact OG-N 3.3Å; N166-T168 PolarHBondContact O-N 2.87Å; T168-Q187 WeakPolarHBondContact CA-O 3.17Å; T168-Q187 HydrophobicContact CG2-CB 4.28Å; T168-S189 PolarHBondContact O-N 3Å; T168-S189 PolarHBondContact O-OG 2.92Å
169	R	98.7	Very high	98.2	Very high	113 Å²	113	43.5 Å²	43.5	43%	0.426	21%	0.212	S	C	.	.	S	Bend	trans	-141.9	151.6	-178.1	-57.6	-179	-58.6	-90.4	2.1	110.2	S143 D144	S143-R169 PolarHBondContact O-NH2 3.26Å; S143-R169 PolarHBondContact OG-N 3.23Å; S143-R169 PolarHBondContact OG-O 3.28Å; D144-R169 IonicContact OD1-CZ 3.26Å; D144-R169 VanDerWaalsContact OD1-CZ 3.28Å; D144-R169 IonicContact OD1-NH1 3.25Å; D144-R169 PolarHBondContact OD1-NH1 2.83Å; D144-R169 IonicContact OD1-NH2 2.87Å; D144-R169 PolarHBondContact OD1-NH2 3.07Å
170	M	98.4	Very high	98.2	Very high	25 Å²	25	43 Å²	43	12%	0.123	21%	0.212	C	C	.	.			trans	-53.8	128.6	171.2	-68.6	-63.7	-68.5	0	0	111.2	L183 I188 V191 A195 L196 L207	M170-L183 HydrophobicContact CE-CD1 3.57Å; M170-L183 HydrophobicContact SD-CD1 3.82Å; M170-I188 HydrophobicContact CG-CG2 4.26Å; M170-I188 HydrophobicContact SD-CD1 4.09Å; M170-I188 HydrophobicContact SD-CG2 4.18Å; M170-V191 HydrophobicContact CE-CG1 4.36Å; M170-V191 HydrophobicContact CG-CB 4.34Å; M170-V191 HydrophobicContact CG-CG1 4.15Å; M170-V191 HydrophobicContact CG-CG2 4.15Å; M170-V191 HydrophobicContact SD-CG1 4.38Å; M170-V191 HydrophobicContact SD-CG2 3.93Å; M170-A195 HydrophobicContact CB-CB 4.11Å; M170-A195 HydrophobicContact CG-CB 4.15Å; M170-L196 HydrophobicContact CE-CD2 3.73Å; M170-L196 HydrophobicContact CE-CG 4.33Å; M170-L207 HydrophobicContact SD-CD2 4.03Å
171	P	97.2	Very high	98.2	Very high	11 Å²	11	43 Å²	43	7%	0.071	21%	0.212	C	C	.	.			trans	-72.3	147	172.4	30.5	-33.6	0	0	0	110.5	L162 L183	L162-P171 HydrophobicContact CD1-CB 4.38Å; L162-P171 HydrophobicContact CD1-CG 3.91Å; P171-L183 HydrophobicContact CG-CD1 4.48Å; P171-L183 HydrophobicContact CG-CD2 3.83Å
172	G	93.8	Very high	98.2	Very high	45 Å²	45	43.6 Å²	43.6	46%	0.464	22%	0.216	S	C	.	.			trans	-179.3	171.7	176.5	0	0	0	0	0	115.1
173	P	96.7	Very high	98.2	Very high	72 Å²	72	43.5 Å²	43.5	47%	0.468	22%	0.215	S	C	.	.	S	Bend	cis	-74.2	143.5	-2.8	31.2	-34.8	0	0	0	112.1	K149 S152	K149-P173 HydrophobicContact CG-CG 4.45Å; S152-P173 WeakPolarHBondContact OG-CG 3.42Å
174	L	97.8	Very high	98.2	Very high	18 Å²	18	43.2 Å²	43.2	9%	0.094	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-91.3	151.6	179.8	-64.2	175.4	0	0	0	111.4	F151 L160 L178 L181 L196 L199	F151-L174 HydrophobicContact CD2-CD2 4.17Å; L160-L174 HydrophobicContact CD2-CD2 3.85Å; L174-L178 HydrophobicContact CB-CD1 3.93Å; L174-L178 HydrophobicContact CD1-CD1 4.17Å; L174-L178 HydrophobicContact CD2-CD1 4.37Å; L174-L178 HydrophobicContact CG-CD1 4.39Å; L174-L181 HydrophobicContact CD1-CD2 3.6Å; L174-L196 HydrophobicContact CD1-CD2 4.44Å; L174-L199 HydrophobicContact CB-CD1 4.36Å; L174-L199 HydrophobicContact CB-CD2 4.23Å; L174-L199 HydrophobicContact CD1-CD1 4.14Å
175	P	97.8	Very high	98.2	Very high	10 Å²	10	42.3 Å²	42.3	7%	0.065	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-73.8	137.1	178.7	27.2	-29.5	0	0	0	111.3	L154 L157 S177 L178 L199	L154-P175 WeakPolarHBondContact O-CB 3.35Å; L157-P175 HydrophobicContact CB-CG 3.76Å; L157-P175 HydrophobicContact CD2-CG 3.72Å; L157-P175 HydrophobicContact CG-CG 4.33Å; P175-S177 PolarHBondContact O-N 3.45Å; P175-L178 HydrophobicContact CG-CD1 4.45Å; P175-L178 HydrophobicContact CG-CG 4.1Å; P175-L178 PolarHBondContact O-N 2.95Å; P175-L199 VanDerWaalsContact O-CD2 3.28Å; P175-L199 WeakPolarHBondContact O-CD2 3.46Å
176	R	98.2	Very high	98.2	Very high	180 Å²	180	42.4 Å²	42.4	68%	0.679	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-11.4	-177.3	-62.2	-177.6	-176.9	153.5	-2.5	114.7	L178 G198	R176-L178 VanDerWaalsContact C-N 3.33Å; R176-G198 WeakPolarHBondContact CB-O 3.49Å; R176-G198 WeakPolarHBondContact CG-O 3.31Å
177	S	98.4	Very high	98.2	Very high	20 Å²	20	42.2 Å²	42.2	14%	0.14	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-11.5	178	51.8	0	0	0	0	114.1	R155 L157 P175 R179	R155-S177 VanDerWaalsContact O-CB 3.23Å; R155-S177 WeakPolarHBondContact O-CB 3.42Å; R155-S177 PolarHBondContact O-OG 3.12Å; L157-S177 PolarHBondContact N-OG 3.45Å; L157-S177 VanDerWaalsContact N-OG 3.12Å; L157-S177 CarbonylContact O-C 3.12Å; L157-S177 VanDerWaalsContact O-CB 3.29Å; L157-S177 WeakPolarHBondContact O-CB 3.26Å; L157-S177 PolarHBondContact O-OG 2.96Å; P175-S177 PolarHBondContact O-N 3.45Å; S177-R179 PolarHBondContact O-N 2.87Å
178	L	98.7	Very high	98.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.207	C	C	.	.			trans	-57.2	138.2	-176.6	-79.7	177.1	0	0	0	112.2	L157 L160 L174 P175 R176 N201 L202	L157-L178 HydrophobicContact CD2-CD2 3.92Å; L157-L178 HydrophobicContact CG-CD2 3.95Å; L157-L178 WeakPolarHBondContact O-CA 3.28Å; L157-L178 PolarHBondContact O-N 3.2Å; L160-L178 HydrophobicContact CB-CD2 3.93Å; L174-L178 HydrophobicContact CB-CD1 3.93Å; L174-L178 HydrophobicContact CD1-CD1 4.17Å; L174-L178 HydrophobicContact CD2-CD1 4.37Å; L174-L178 HydrophobicContact CG-CD1 4.39Å; P175-L178 HydrophobicContact CG-CD1 4.45Å; P175-L178 HydrophobicContact CG-CG 4.1Å; P175-L178 PolarHBondContact O-N 2.95Å; R176-L178 VanDerWaalsContact C-N 3.33Å; L178-N201 CarbonylContact O-C 2.99Å; L178-L202 HydrophobicContact CB-CD1 4.03Å; L178-L202 WeakPolarHBondContact O-CA 3.4Å; L178-L202 PolarHBondContact O-N 3.29Å; L178-L202 VanDerWaalsContact O-N 3.14Å
179	R	98.8	Very high	98.2	Very high	117 Å²	117	42 Å²	42	44%	0.442	21%	0.208	S	C	.	.	S	Bend	trans	-112.2	-40	174.1	-61.2	-176.6	-173.3	-116.6	6.6	111.5	E158 S177 L202 T203 A204	E158-R179 HydrophobicContact CB-CG 4.38Å; E158-R179 PolarHBondContact O-N 3.47Å; E158-R179 IonicContact OE1-CZ 3.52Å; E158-R179 IonicContact OE1-NE 2.95Å; E158-R179 PolarHBondContact OE1-NE 2.89Å; E158-R179 IonicContact OE1-NH2 3.25Å; E158-R179 PolarHBondContact OE1-NH2 3.19Å; S177-R179 PolarHBondContact O-N 2.87Å; R179-L202 CarbonylContact O-C 3.54Å; R179-L202 WeakPolarHBondContact O-CD1 3.39Å; R179-T203 PolarHBondContact O-N 3.31Å; R179-T203 PolarHBondContact O-OG1 3.06Å; R179-T203 VanDerWaalsContact O-OG1 3.05Å; R179-A204 PolarHBondContact O-N 3.31Å
180	E	98.9	Very high	98.2	Very high	43 Å²	43	43.1 Å²	43.1	20%	0.201	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132	-179.7	-64.9	166.9	-145.4	0	0	110.3	E158 R159 L160 A204	E158-E180 PolarHBondContact O-N 3.5Å; E158-E180 VanDerWaalsContact O-N 3.09Å; R159-E180 WeakPolarHBondContact CD-OE2 3.47Å; R159-E180 HydrophobicContact CG-CB 4.19Å; R159-E180 IonicContact CZ-OE1 3.47Å; R159-E180 VanDerWaalsContact CZ-OE1 3.3Å; R159-E180 IonicContact CZ-OE2 2.78Å; R159-E180 IonicContact NE-OE1 3.21Å; R159-E180 PolarHBondContact NE-OE1 3.14Å; R159-E180 IonicContact NE-OE2 3.3Å; R159-E180 PolarHBondContact NE-OE2 3.37Å; R159-E180 IonicContact NH2-OE1 3.55Å; R159-E180 PolarHBondContact NH2-OE1 3.44Å; L160-E180 PolarHBondContact N-O 3.37Å; E180-A204 HydrophobicContact CG-CB 4.27Å
181	L	98.9	Very high	98.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	116.8	179.2	178.8	60.9	0	0	0	110.2	L160 L174 L183 L196 L202 A204 L205 Y206	L160-L181 HydrophobicContact CB-CD1 4.07Å; L160-L181 HydrophobicContact CD2-CD1 3.97Å; L160-L181 HydrophobicContact CG-CD1 4.12Å; L174-L181 HydrophobicContact CD1-CD2 3.6Å; L181-L183 HydrophobicContact CD1-CD1 4.25Å; L181-L183 HydrophobicContact CD1-CG 4.1Å; L181-L183 HydrophobicContact CD2-CD1 3.76Å; L181-L183 HydrophobicContact CD2-CG 4.43Å; L181-L183 HydrophobicContact CG-CD1 3.93Å; L181-L183 HydrophobicContact CG-CG 4.04Å; L181-L196 HydrophobicContact CD2-CD2 4.2Å; L181-L202 HydrophobicContact CB-CD1 3.95Å; L181-A204 PolarHBondContact N-O 3.07Å; L181-L205 HydrophobicContact CB-CD1 4.05Å; L181-L205 HydrophobicContact CD2-CD1 3.83Å; L181-L205 HydrophobicContact CG-CD1 4.03Å; L181-Y206 PolarHBondContact O-N 2.94Å
182	H	98.9	Very high	98.3	Very high	31 Å²	31	43.6 Å²	43.6	14%	0.144	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.5	175.1	-64.4	-108.1	0	0	0	110.2	L160 Y161 L162 D163 D184 Y206	L160-H182 PolarHBondContact O-N 3.09Å; Y161-H182 HydrophobicContact CD1-CB 4.07Å; Y161-H182 AromaticContact CD1-CD2 3.37Å; Y161-H182 WeakPolarHBondContact CD1-CD2 3.46Å; Y161-H182 AromaticContact CD1-CG 3.66Å; Y161-H182 AromaticContact CD1-NE2 3.88Å; Y161-H182 AromaticContact CE1-CD2 3.38Å; Y161-H182 WeakPolarHBondContact CE1-CD2 3.41Å; Y161-H182 AromaticContact CE1-NE2 3.44Å; Y161-H182 WeakPolarHBondContact CE1-NE2 3.38Å; L162-H182 CarbonylContact C-O 3.49Å; L162-H182 WeakPolarHBondContact CA-O 3.37Å; L162-H182 PolarHBondContact N-O 3Å; D163-H182 HydrophobicContact CB-CB 4.14Å; D163-H182 PolarHBondContact N-O 3.27Å; D163-H182 WeakPolarHBondContact OD1-CB 3.39Å; H182-D184 IonicContact ND1-OD1 3.19Å; H182-Y206 AromaticContact CD2-CD2 3.93Å; H182-Y206 AromaticContact CE1-CD2 3.26Å; H182-Y206 WeakPolarHBondContact CE1-CD2 3.46Å; H182-Y206 AromaticContact CE1-CE2 3.28Å; H182-Y206 WeakPolarHBondContact CE1-CE2 3.35Å; H182-Y206 AromaticContact CG-CD2 3.81Å; H182-Y206 AromaticContact ND1-CD2 3.39Å; H182-Y206 WeakPolarHBondContact ND1-CD2 3.47Å; H182-Y206 AromaticContact ND1-CE2 3.91Å; H182-Y206 AromaticContact ND1-CG 3.86Å; H182-Y206 AromaticContact NE2-CD2 3.61Å; H182-Y206 AromaticContact NE2-CE2 3.52Å
183	L	98.9	Very high	98.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.217	C	C	.	.			trans	-133.9	10.3	177.8	-73	170.6	0	0	0	111.4	L162 L167 M170 P171 L181 N186 I188 Y206 L207 N210	L162-L183 HydrophobicContact CB-CD2 3.8Å; L162-L183 HydrophobicContact CD1-CD2 4.23Å; L167-L183 HydrophobicContact CD1-CD2 3.86Å; M170-L183 HydrophobicContact CE-CD1 3.57Å; M170-L183 HydrophobicContact SD-CD1 3.82Å; P171-L183 HydrophobicContact CG-CD1 4.48Å; P171-L183 HydrophobicContact CG-CD2 3.83Å; L181-L183 HydrophobicContact CD1-CD1 4.25Å; L181-L183 HydrophobicContact CD1-CG 4.1Å; L181-L183 HydrophobicContact CD2-CD1 3.76Å; L181-L183 HydrophobicContact CD2-CG 4.43Å; L181-L183 HydrophobicContact CG-CD1 3.93Å; L181-L183 HydrophobicContact CG-CG 4.04Å; L183-N186 PolarHBondContact O-ND2 2.95Å; L183-I188 HydrophobicContact CB-CD1 4.03Å; L183-I188 HydrophobicContact CD1-CD1 4.38Å; L183-I188 HydrophobicContact CD2-CD1 4.31Å; L183-I188 HydrophobicContact CG-CD1 4.49Å; L183-Y206 CarbonylContact C-O 3.54Å; L183-Y206 PolarHBondContact N-O 2.72Å; L183-L207 HydrophobicContact CB-CD2 3.73Å; L183-L207 HydrophobicContact CD1-CD2 4.03Å; L183-N210 PolarHBondContact O-ND2 3.36Å
184	D	98.9	Very high	98.5	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.053	22%	0.223	C	C	.	.			trans	-65.4	161.7	178.3	58	-80.7	0	0	0	112.4	D163 H164 H182 N186 Y206 Q208	D163-D184 CarbonylContact C-O 3.48Å; D163-D184 WeakPolarHBondContact CA-O 3.31Å; D163-D184 VanDerWaalsContact CB-O 3.27Å; D163-D184 WeakPolarHBondContact CB-O 3.22Å; D163-D184 WeakPolarHBondContact CB-OD1 3.25Å; H164-D184 PolarHBondContact N-O 3.45Å; H164-D184 VanDerWaalsContact N-O 3.07Å; H182-D184 IonicContact ND1-OD1 3.19Å; D184-N186 PolarHBondContact O-N 2.91Å; D184-N186 PolarHBondContact O-ND2 3.08Å; D184-N186 VanDerWaalsContact O-ND2 3.09Å; D184-Y206 PolarHBondContact N-O 3.4Å; D184-Y206 WeakPolarHBondContact OD1-CB 3Å; D184-Q208 CarbonylContact C-O 3.19Å; D184-Q208 WeakPolarHBondContact CA-O 3.18Å; D184-Q208 HydrophobicContact CB-CG 3.82Å; D184-Q208 VanDerWaalsContact CB-NE2 3.32Å; D184-Q208 WeakPolarHBondContact CB-O 3.43Å; D184-Q208 VanDerWaalsContact CG-NE2 3.34Å
185	H	98.9	Very high	98.5	Very high	68 Å²	68	47.4 Å²	47.4	32%	0.315	23%	0.226	S	C	.	.	S	Bend	trans	54.7	48.3	-179.1	-58.8	86	0	0	0	113.2	H164 N165 Q208 H209	H164-H185 VanDerWaalsContact CA-O 3.3Å; H164-H185 WeakPolarHBondContact CA-O 3.3Å; H164-H185 AromaticContact CD2-CG 3.89Å; H164-H185 AromaticContact CE1-CG 3.58Å; H164-H185 AromaticContact CE1-ND1 3.43Å; H164-H185 PolarHBondContact CE1-ND1 3.35Å; H164-H185 PolarHBondContact N-O 3.09Å; H164-H185 AromaticContact NE2-CD2 3.69Å; H164-H185 AromaticContact NE2-CG 3.38Å; H164-H185 AromaticContact NE2-ND1 3.64Å; N165-H185 PolarHBondContact N-O 3.03Å; H185-Q208 PolarHBondContact N-O 3.45Å; H185-H209 VanDerWaalsContact CA-O 3.23Å; H185-H209 WeakPolarHBondContact CA-O 3.21Å; H185-H209 AromaticContact CD2-CG 3.91Å; H185-H209 AromaticContact CE1-CD2 3.72Å; H185-H209 PolarHBondContact N-O 3.36Å; H185-H209 AromaticContact NE2-CD2 3.37Å; H185-H209 PolarHBondContact NE2-CD2 3.36Å; H185-H209 AromaticContact NE2-CG 3.64Å
186	N	98.9	Very high	98.5	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.043	22%	0.224	C	C	.	.	S	Bend	trans	-124.3	-165.6	173.7	-85.3	-84.1	0	0	0	109.3	L162 N165 N166 L167 L183 D184 I188 H209 N210	L162-N186 PolarHBondContact O-ND2 3.38Å; N165-N186 WeakPolarHBondContact CA-OD1 3.13Å; N165-N186 WeakPolarHBondContact CB-OD1 3.27Å; N165-N186 PolarHBondContact N-OD1 3.08Å; N165-N186 PolarHBondContact O-OD1 3.04Å; N166-N186 PolarHBondContact N-OD1 3.03Å; L167-N186 HydrophobicContact CB-CB 4.2Å; L167-N186 VanDerWaalsContact CB-OD1 3.22Å; L167-N186 WeakPolarHBondContact CB-OD1 3.22Å; L167-N186 VanDerWaalsContact CG-OD1 3.31Å; L167-N186 WeakPolarHBondContact CG-OD1 3.45Å; L167-N186 PolarHBondContact N-OD1 2.94Å; L183-N186 PolarHBondContact O-ND2 2.95Å; D184-N186 PolarHBondContact O-N 2.91Å; D184-N186 PolarHBondContact O-ND2 3.08Å; D184-N186 VanDerWaalsContact O-ND2 3.09Å; N186-I188 HydrophobicContact CB-CD1 4.38Å; N186-I188 HydrophobicContact CB-CG1 4.14Å; N186-H209 PolarHBondContact N-O 3.05Å; N186-N210 WeakPolarHBondContact CA-OD1 3.33Å; N186-N210 WeakPolarHBondContact CB-OD1 3.47Å; N186-N210 PolarHBondContact O-OD1 2.87Å
187	Q	98.8	Very high	98.5	Very high	58 Å²	58	45.3 Å²	45.3	27%	0.271	22%	0.223	S	C	.	.			trans	-119.6	33.1	176.5	-59.3	90.1	65.9	0	0	111	N165 N166 L167 T168 S189 N210	N165-Q187 PolarHBondContact O-NE2 3.31Å; N165-Q187 VanDerWaalsContact O-NE2 3.14Å; N166-Q187 PolarHBondContact ND2-OE1 2.96Å; L167-Q187 CarbonylContact O-C 3.52Å; L167-Q187 WeakPolarHBondContact O-CA 3.1Å; L167-Q187 PolarHBondContact O-N 3.06Å; T168-Q187 WeakPolarHBondContact CA-O 3.17Å; T168-Q187 HydrophobicContact CG2-CB 4.28Å; Q187-S189 PolarHBondContact O-N 2.97Å; Q187-N210 PolarHBondContact N-OD1 2.93Å
188	I	98.9	Very high	98.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.			trans	-67.4	119.5	-176.6	-60.6	171.5	0	0	0	108.6	L167 M170 L183 N186 L207 N210 E211 I212	L167-I188 HydrophobicContact CB-CG1 4.27Å; L167-I188 PolarHBondContact O-N 3.3Å; L167-I188 VanDerWaalsContact O-N 3.16Å; M170-I188 HydrophobicContact CG-CG2 4.26Å; M170-I188 HydrophobicContact SD-CD1 4.09Å; M170-I188 HydrophobicContact SD-CG2 4.18Å; L183-I188 HydrophobicContact CB-CD1 4.03Å; L183-I188 HydrophobicContact CD1-CD1 4.38Å; L183-I188 HydrophobicContact CD2-CD1 4.31Å; L183-I188 HydrophobicContact CG-CD1 4.49Å; N186-I188 HydrophobicContact CB-CD1 4.38Å; N186-I188 HydrophobicContact CB-CG1 4.14Å; I188-L207 HydrophobicContact CD1-CD2 4.36Å; I188-N210 HydrophobicContact CB-CB 4.32Å; I188-N210 VanDerWaalsContact CB-OD1 3.26Å; I188-N210 WeakPolarHBondContact CB-OD1 3.33Å; I188-N210 WeakPolarHBondContact CG1-OD1 3.1Å; I188-N210 PolarHBondContact N-OD1 3.22Å; I188-E211 CarbonylContact O-C 3.23Å; I188-E211 WeakPolarHBondContact O-CA 3.3Å; I188-E211 PolarHBondContact O-N 3.09Å; I188-I212 HydrophobicContact CB-CG1 4.43Å; I188-I212 HydrophobicContact CG2-CG1 4.22Å; I188-I212 VanDerWaalsContact O-CG1 3.23Å; I188-I212 WeakPolarHBondContact O-CG1 3.41Å; I188-I212 PolarHBondContact O-N 3.2Å; I188-I212 VanDerWaalsContact O-N 3.09Å
189	S	98.5	Very high	98.4	Very high	53 Å²	53	45.8 Å²	45.8	37%	0.371	23%	0.231	S	C	.	.			trans	-91.2	-20.7	-174.7	53.5	0	0	0	0	114.4	T168 Q187 E211 I212 Q213	T168-S189 PolarHBondContact O-N 3Å; T168-S189 PolarHBondContact O-OG 2.92Å; Q187-S189 PolarHBondContact O-N 2.97Å; S189-E211 WeakPolarHBondContact CA-O 3.18Å; S189-I212 WeakPolarHBondContact O-CA 3.34Å; S189-Q213 PolarHBondContact O-N 3.32Å
190	R	98.3	Very high	98.4	Very high	136 Å²	136	44 Å²	44	51%	0.513	23%	0.228	S	C	.	.			trans	-158.2	146.2	-177	-174.6	178.5	178.9	-144.8	0.5	111.7	P192	R190-P192 WeakPolarHBondContact O-CD 3.23Å
191	V	98.6	Very high	98.4	Very high	1 Å²	1	46 Å²	46	1%	0.006	24%	0.24	C	C	.	.			trans	-106.7	107.9	166.6	-174.6	0	0	0	0	109.4	M170 A195 L196 L207 I212 E214 V215	M170-V191 HydrophobicContact CE-CG1 4.36Å; M170-V191 HydrophobicContact CG-CB 4.34Å; M170-V191 HydrophobicContact CG-CG1 4.15Å; M170-V191 HydrophobicContact CG-CG2 4.15Å; M170-V191 HydrophobicContact SD-CG1 4.38Å; M170-V191 HydrophobicContact SD-CG2 3.93Å; V191-A195 HydrophobicContact CG1-CB 4.11Å; V191-L196 HydrophobicContact CG1-CD1 4.42Å; V191-L207 HydrophobicContact CG2-CD1 4.21Å; V191-I212 HydrophobicContact CG2-CD1 4.05Å; V191-I212 HydrophobicContact CG2-CG2 4.3Å; V191-E214 PolarHBondContact N-O 3.32Å; V191-V215 HydrophobicContact CB-CB 4.13Å; V191-V215 HydrophobicContact CB-CG1 3.98Å; V191-V215 HydrophobicContact CG2-CG1 3.9Å
192	P	98.2	Very high	98.4	Very high	45 Å²	45	46 Å²	46	29%	0.292	24%	0.24	S	C	.	.			trans	-62.5	150.3	174.5	-23.1	32	0	0	0	112.9	R190 N194 A195	R190-P192 WeakPolarHBondContact O-CD 3.23Å; P192-N194 PolarHBondContact O-N 3.39Å; P192-A195 HydrophobicContact CB-CB 4.32Å; P192-A195 HydrophobicContact CG-CB 4.46Å; P192-A195 VanDerWaalsContact O-CB 3.27Å; P192-A195 WeakPolarHBondContact O-CB 3.18Å; P192-A195 PolarHBondContact O-N 3.48Å
193	N	98.2	Very high	98.4	Very high	87 Å²	87	46.5 Å²	46.5	47%	0.465	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-29.6	-178.2	-69.4	-14	0	0	0	114.4	S217	N193-S217 PolarHBondContact OD1-N 3.16Å; N193-S217 VanDerWaalsContact OD1-N 3.08Å
194	N	97.6	Very high	98.4	Very high	109 Å²	109	47 Å²	47	58%	0.583	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	6.1	-179.3	69.7	-39	0	0	0	113.9	P192 L196 E197	P192-N194 PolarHBondContact O-N 3.39Å; N194-L196 PolarHBondContact O-N 3.25Å; N194-E197 WeakPolarHBondContact O-CB 3.22Å; N194-E197 PolarHBondContact O-N 3.31Å
195	A	97.9	Very high	98.4	Very high	20 Å²	20	46.5 Å²	46.5	17%	0.165	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.9	-175.2	0	0	0	0	0	113.2	M170 V191 P192	M170-A195 HydrophobicContact CB-CB 4.11Å; M170-A195 HydrophobicContact CG-CB 4.15Å; V191-A195 HydrophobicContact CG1-CB 4.11Å; P192-A195 HydrophobicContact CB-CB 4.32Å; P192-A195 HydrophobicContact CG-CB 4.46Å; P192-A195 VanDerWaalsContact O-CB 3.27Å; P192-A195 WeakPolarHBondContact O-CB 3.18Å; P192-A195 PolarHBondContact O-N 3.48Å
196	L	98.2	Very high	98.4	Very high	4 Å²	4	46 Å²	46	2%	0.021	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	24.4	-176.2	-55.2	170.3	0	0	0	111.7	M170 L174 L181 V191 N194 G198 L199 L205 M219 L222	M170-L196 HydrophobicContact CE-CD2 3.73Å; M170-L196 HydrophobicContact CE-CG 4.33Å; L174-L196 HydrophobicContact CD1-CD2 4.44Å; L181-L196 HydrophobicContact CD2-CD2 4.2Å; V191-L196 HydrophobicContact CG1-CD1 4.42Å; N194-L196 PolarHBondContact O-N 3.25Å; L196-G198 PolarHBondContact O-N 3.03Å; L196-L199 HydrophobicContact CB-CD1 4.17Å; L196-L199 HydrophobicContact CD2-CD1 3.84Å; L196-L199 PolarHBondContact O-N 3.36Å; L196-L205 HydrophobicContact CD1-CD2 3.59Å; L196-M219 HydrophobicContact CD1-CE 4.23Å; L196-M219 HydrophobicContact CD1-SD 3.73Å; L196-L222 HydrophobicContact CB-CD2 4.02Å; L196-L222 HydrophobicContact CD1-CD1 3.97Å
197	E	97.2	Very high	98.4	Very high	141 Å²	141	45.6 Å²	45.6	66%	0.659	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	125.2	-175.5	-172.8	-176.6	169	0	0	112.1	N194 L199	N194-E197 WeakPolarHBondContact O-CB 3.22Å; N194-E197 PolarHBondContact O-N 3.31Å; E197-L199 VanDerWaalsContact C-N 3.32Å; E197-L199 PolarHBondContact O-N 3.29Å
198	G	97.4	Very high	98.4	Very high	28 Å²	28	44.1 Å²	44.1	29%	0.289	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	8.3	174.2	0	0	0	0	0	115.5	R176 L196 E200	R176-G198 WeakPolarHBondContact CB-O 3.49Å; R176-G198 WeakPolarHBondContact CG-O 3.31Å; L196-G198 PolarHBondContact O-N 3.03Å; G198-E200 PolarHBondContact O-N 2.9Å
199	L	98.5	Very high	98.4	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	25%	0.249	C	C	.	.			trans	-78.2	57	173.8	-54.1	-171.2	0	0	0	111.2	L174 P175 L196 E197 N201 L202 L222	L174-L199 HydrophobicContact CB-CD1 4.36Å; L174-L199 HydrophobicContact CB-CD2 4.23Å; L174-L199 HydrophobicContact CD1-CD1 4.14Å; P175-L199 VanDerWaalsContact O-CD2 3.28Å; P175-L199 WeakPolarHBondContact O-CD2 3.46Å; L196-L199 HydrophobicContact CB-CD1 4.17Å; L196-L199 HydrophobicContact CD2-CD1 3.84Å; L196-L199 PolarHBondContact O-N 3.36Å; E197-L199 VanDerWaalsContact C-N 3.32Å; E197-L199 PolarHBondContact O-N 3.29Å; L199-N201 PolarHBondContact O-N 2.69Å; L199-L202 HydrophobicContact CB-CB 4.09Å; L199-L202 HydrophobicContact CD1-CD2 4.33Å; L199-L202 WeakPolarHBondContact O-CB 3.23Å; L199-L202 PolarHBondContact O-N 3.4Å; L199-L222 HydrophobicContact CB-CD2 3.88Å
200	E	98.3	Very high	98.4	Very high	81 Å²	81	45.4 Å²	45.4	38%	0.379	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.3	-174.9	-63.4	-169.1	-165.6	0	0	113.3	G198 R223 S224	G198-E200 PolarHBondContact O-N 2.9Å; E200-R223 IonicContact OE1-CZ 3.8Å; E200-R223 IonicContact OE1-NH1 3.36Å; E200-R223 PolarHBondContact OE1-NH1 3.14Å; E200-R223 IonicContact OE2-CZ 3.65Å; E200-R223 IonicContact OE2-NE 3.93Å; E200-R223 IonicContact OE2-NH1 2.8Å; E200-R223 PolarHBondContact OE2-NH1 3.36Å; E200-S224 WeakPolarHBondContact O-CB 3.42Å; E200-S224 PolarHBondContact O-N 3.25Å; E200-S224 PolarHBondContact O-OG 3.45Å
201	N	98.6	Very high	98.4	Very high	85 Å²	85	43.2 Å²	43.2	46%	0.455	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-4.5	178.8	-69	-12.3	0	0	0	113.8	L178 L199 T203	L178-N201 CarbonylContact O-C 2.99Å; L199-N201 PolarHBondContact O-N 2.69Å; N201-T203 PolarHBondContact O-N 3.13Å
202	L	98.9	Very high	98.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.228	C	C	.	.			trans	-69.4	121.9	-176.7	-165.9	75.8	0	0	0	109.7	L178 R179 L181 L199 L205 L222 S224 L225	L178-L202 HydrophobicContact CB-CD1 4.03Å; L178-L202 WeakPolarHBondContact O-CA 3.4Å; L178-L202 PolarHBondContact O-N 3.29Å; L178-L202 VanDerWaalsContact O-N 3.14Å; R179-L202 CarbonylContact O-C 3.54Å; R179-L202 WeakPolarHBondContact O-CD1 3.39Å; L181-L202 HydrophobicContact CB-CD1 3.95Å; L199-L202 HydrophobicContact CB-CB 4.09Å; L199-L202 HydrophobicContact CD1-CD2 4.33Å; L199-L202 WeakPolarHBondContact O-CB 3.23Å; L199-L202 PolarHBondContact O-N 3.4Å; L202-L205 HydrophobicContact CD2-CB 4.13Å; L202-L205 HydrophobicContact CD2-CD1 4.47Å; L202-L205 HydrophobicContact CD2-CD2 4.44Å; L202-L222 HydrophobicContact CD2-CD1 4.43Å; L202-L222 HydrophobicContact CD2-CD2 4.41Å; L202-S224 CarbonylContact O-C 3.52Å; L202-L225 HydrophobicContact CD2-CD1 4.14Å; L202-L225 HydrophobicContact CG-CD1 4.17Å; L202-L225 WeakPolarHBondContact O-CA 3.28Å; L202-L225 PolarHBondContact O-N 2.86Å
203	T	98.9	Very high	98.5	Very high	41 Å²	41	45.6 Å²	45.6	25%	0.252	24%	0.236	S	C	.	.			trans	-104.5	-31.9	-178.2	55.7	0	0	0	0	112.9	R179 N201 S224 I226 L227	R179-T203 PolarHBondContact O-N 3.31Å; R179-T203 PolarHBondContact O-OG1 3.06Å; R179-T203 VanDerWaalsContact O-OG1 3.05Å; N201-T203 PolarHBondContact O-N 3.13Å; T203-S224 WeakPolarHBondContact CA-O 3.37Å; T203-I226 PolarHBondContact O-N 3.45Å; T203-L227 PolarHBondContact O-N 2.95Å; T203-L227 VanDerWaalsContact O-N 3.12Å
204	A	98.9	Very high	98.5	Very high	10 Å²	10	45.9 Å²	45.9	8%	0.083	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.9	177.6	0	0	0	0	0	111.6	R179 E180 L181 Y206 L227	R179-A204 PolarHBondContact O-N 3.31Å; E180-A204 HydrophobicContact CG-CB 4.27Å; L181-A204 PolarHBondContact N-O 3.07Å; A204-Y206 HydrophobicContact CB-CE2 3.75Å; A204-L227 HydrophobicContact CB-CB 4.45Å
205	L	98.9	Very high	98.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	115	177	178.3	57.6	0	0	0	110.3	L181 L196 L202 L207 M219 L222 L225 L227 L228 D229	L181-L205 HydrophobicContact CB-CD1 4.05Å; L181-L205 HydrophobicContact CD2-CD1 3.83Å; L181-L205 HydrophobicContact CG-CD1 4.03Å; L196-L205 HydrophobicContact CD1-CD2 3.59Å; L202-L205 HydrophobicContact CD2-CB 4.13Å; L202-L205 HydrophobicContact CD2-CD1 4.47Å; L202-L205 HydrophobicContact CD2-CD2 4.44Å; L205-L207 HydrophobicContact CD1-CD1 4.2Å; L205-L207 HydrophobicContact CD1-CG 4.13Å; L205-L207 HydrophobicContact CD2-CD1 3.86Å; L205-L207 HydrophobicContact CG-CD1 3.91Å; L205-L207 HydrophobicContact CG-CG 4.15Å; L205-M219 HydrophobicContact CD2-CE 4.02Å; L205-M219 HydrophobicContact CD2-SD 4.01Å; L205-L222 HydrophobicContact CD2-CD1 4.43Å; L205-L225 HydrophobicContact CB-CD1 3.95Å; L205-L227 PolarHBondContact N-O 2.89Å; L205-L227 VanDerWaalsContact N-O 3.07Å; L205-L228 HydrophobicContact CB-CD1 4.15Å; L205-L228 HydrophobicContact CD2-CD1 3.89Å; L205-L228 HydrophobicContact CG-CD1 4.06Å; L205-D229 PolarHBondContact O-N 3.17Å
206	Y	98.9	Very high	98.5	Very high	57 Å²	57	40.3 Å²	40.3	22%	0.224	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.3	179.3	-59.1	-83.3	0	0	0	110	L181 H182 L183 D184 A204 L227 D229	L181-Y206 PolarHBondContact O-N 2.94Å; H182-Y206 AromaticContact CD2-CD2 3.93Å; H182-Y206 AromaticContact CE1-CD2 3.26Å; H182-Y206 WeakPolarHBondContact CE1-CD2 3.46Å; H182-Y206 AromaticContact CE1-CE2 3.28Å; H182-Y206 WeakPolarHBondContact CE1-CE2 3.35Å; H182-Y206 AromaticContact CG-CD2 3.81Å; H182-Y206 AromaticContact ND1-CD2 3.39Å; H182-Y206 WeakPolarHBondContact ND1-CD2 3.47Å; H182-Y206 AromaticContact ND1-CE2 3.91Å; H182-Y206 AromaticContact ND1-CG 3.86Å; H182-Y206 AromaticContact NE2-CD2 3.61Å; H182-Y206 AromaticContact NE2-CE2 3.52Å; L183-Y206 CarbonylContact C-O 3.54Å; L183-Y206 PolarHBondContact N-O 2.72Å; D184-Y206 PolarHBondContact N-O 3.4Å; D184-Y206 WeakPolarHBondContact OD1-CB 3Å; A204-Y206 HydrophobicContact CB-CE2 3.75Å; Y206-L227 HydrophobicContact CD1-CD2 4.1Å; Y206-L227 HydrophobicContact CE1-CD1 4.36Å; Y206-L227 HydrophobicContact CE1-CD2 3.64Å; Y206-D229 HydrophobicContact CD1-CB 4.3Å
207	L	98.9	Very high	98.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.			trans	-131.8	9.1	-179.9	-75.4	166.6	0	0	0	111.9	M170 L183 I188 V191 L205 N210 I212 M219 D229 L230 N233	M170-L207 HydrophobicContact SD-CD2 4.03Å; L183-L207 HydrophobicContact CB-CD2 3.73Å; L183-L207 HydrophobicContact CD1-CD2 4.03Å; I188-L207 HydrophobicContact CD1-CD2 4.36Å; V191-L207 HydrophobicContact CG2-CD1 4.21Å; L205-L207 HydrophobicContact CD1-CD1 4.2Å; L205-L207 HydrophobicContact CD1-CG 4.13Å; L205-L207 HydrophobicContact CD2-CD1 3.86Å; L205-L207 HydrophobicContact CG-CD1 3.91Å; L205-L207 HydrophobicContact CG-CG 4.15Å; L207-N210 PolarHBondContact O-ND2 2.91Å; L207-I212 HydrophobicContact CB-CD1 3.86Å; L207-I212 HydrophobicContact CD1-CD1 4.26Å; L207-I212 HydrophobicContact CD2-CD1 4.02Å; L207-I212 HydrophobicContact CG-CD1 4.28Å; L207-M219 HydrophobicContact CD1-CE 4.15Å; L207-D229 CarbonylContact C-O 3.19Å; L207-D229 WeakPolarHBondContact CA-O 3.25Å; L207-D229 WeakPolarHBondContact CB-O 3.24Å; L207-D229 PolarHBondContact N-O 3.06Å; L207-L230 HydrophobicContact CB-CD2 3.88Å; L207-L230 HydrophobicContact CD1-CD2 3.86Å; L207-N233 PolarHBondContact O-ND2 3.39Å
208	Q	98.9	Very high	98.5	Very high	26 Å²	26	35.3 Å²	35.3	12%	0.121	19%	0.185	C	C	.	.			trans	-61.7	155.4	179.1	68.5	-77.3	6.9	0	0	112.8	D184 H185 N210 D229 S231	D184-Q208 CarbonylContact C-O 3.19Å; D184-Q208 WeakPolarHBondContact CA-O 3.18Å; D184-Q208 HydrophobicContact CB-CG 3.82Å; D184-Q208 VanDerWaalsContact CB-NE2 3.32Å; D184-Q208 WeakPolarHBondContact CB-O 3.43Å; D184-Q208 VanDerWaalsContact CG-NE2 3.34Å; H185-Q208 PolarHBondContact N-O 3.45Å; Q208-N210 PolarHBondContact O-ND2 2.98Å; Q208-D229 PolarHBondContact N-O 2.96Å; Q208-D229 PolarHBondContact OE1-OD2 3.42Å; Q208-S231 WeakPolarHBondContact CA-O 3.17Å; Q208-S231 WeakPolarHBondContact CB-O 3.17Å; Q208-S231 WeakPolarHBondContact CB-OG 3.23Å
209	H	98.9	Very high	98.6	Very high	72 Å²	72	34 Å²	34	33%	0.333	17%	0.172	S	C	.	.	S	Bend	trans	54.2	56.1	-176.7	-70.8	-77.7	0	0	0	112.6	H185 N186 S231 Y232	H185-H209 VanDerWaalsContact CA-O 3.23Å; H185-H209 WeakPolarHBondContact CA-O 3.21Å; H185-H209 AromaticContact CD2-CG 3.91Å; H185-H209 AromaticContact CE1-CD2 3.72Å; H185-H209 PolarHBondContact N-O 3.36Å; H185-H209 AromaticContact NE2-CD2 3.37Å; H185-H209 PolarHBondContact NE2-CD2 3.36Å; H185-H209 AromaticContact NE2-CG 3.64Å; N186-H209 PolarHBondContact N-O 3.05Å; H209-S231 PolarHBondContact N-O 2.84Å; H209-Y232 VanDerWaalsContact CA-O 3.32Å; H209-Y232 WeakPolarHBondContact CA-O 3.43Å; H209-Y232 AromaticContact CE1-CD1 3.65Å; H209-Y232 AromaticContact CE1-CD2 3.9Å; H209-Y232 AromaticContact CE1-CG 3.45Å; H209-Y232 VanDerWaalsContact CE1-CG 3.45Å; H209-Y232 PolarHBondContact N-O 3.04Å; H209-Y232 AromaticContact ND1-CG 3.94Å; H209-Y232 AromaticContact NE2-CD2 3.58Å; H209-Y232 AromaticContact NE2-CG 3.62Å
210	N	98.9	Very high	98.5	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.043	20%	0.196	C	C	.	.	S	Bend	trans	-128	-170.8	169.4	-85.6	-81.6	0	0	0	109.3	L183 N186 Q187 I188 L207 Q208 I212 Y232 N233	L183-N210 PolarHBondContact O-ND2 3.36Å; N186-N210 WeakPolarHBondContact CA-OD1 3.33Å; N186-N210 WeakPolarHBondContact CB-OD1 3.47Å; N186-N210 PolarHBondContact O-OD1 2.87Å; Q187-N210 PolarHBondContact N-OD1 2.93Å; I188-N210 HydrophobicContact CB-CB 4.32Å; I188-N210 VanDerWaalsContact CB-OD1 3.26Å; I188-N210 WeakPolarHBondContact CB-OD1 3.33Å; I188-N210 WeakPolarHBondContact CG1-OD1 3.1Å; I188-N210 PolarHBondContact N-OD1 3.22Å; L207-N210 PolarHBondContact O-ND2 2.91Å; Q208-N210 PolarHBondContact O-ND2 2.98Å; N210-I212 HydrophobicContact CB-CD1 4.06Å; N210-I212 HydrophobicContact CB-CG1 3.89Å; N210-Y232 PolarHBondContact N-O 3.48Å; N210-N233 WeakPolarHBondContact CA-OD1 3.37Å; N210-N233 WeakPolarHBondContact CB-OD1 3.26Å; N210-N233 PolarHBondContact O-OD1 3.07Å
211	E	98.8	Very high	98.4	Very high	90 Å²	90	38.6 Å²	38.6	42%	0.421	20%	0.199	S	C	.	.			trans	-110.1	26.6	179.7	-61.7	178.8	-163	0	0	111.5	I188 S189 Q213 N233	I188-E211 CarbonylContact O-C 3.23Å; I188-E211 WeakPolarHBondContact O-CA 3.3Å; I188-E211 PolarHBondContact O-N 3.09Å; S189-E211 WeakPolarHBondContact CA-O 3.18Å; E211-Q213 PolarHBondContact O-N 3.09Å; E211-N233 PolarHBondContact N-OD1 3.21Å
212	I	98.9	Very high	98.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.			trans	-68.4	119.8	-167.6	-59.4	167.5	0	0	0	110	I188 S189 V191 L207 N210 V215 L230 N233 H234 L235	I188-I212 HydrophobicContact CB-CG1 4.43Å; I188-I212 HydrophobicContact CG2-CG1 4.22Å; I188-I212 VanDerWaalsContact O-CG1 3.23Å; I188-I212 WeakPolarHBondContact O-CG1 3.41Å; I188-I212 PolarHBondContact O-N 3.2Å; I188-I212 VanDerWaalsContact O-N 3.09Å; S189-I212 WeakPolarHBondContact O-CA 3.34Å; V191-I212 HydrophobicContact CG2-CD1 4.05Å; V191-I212 HydrophobicContact CG2-CG2 4.3Å; L207-I212 HydrophobicContact CB-CD1 3.86Å; L207-I212 HydrophobicContact CD1-CD1 4.26Å; L207-I212 HydrophobicContact CD2-CD1 4.02Å; L207-I212 HydrophobicContact CG-CD1 4.28Å; N210-I212 HydrophobicContact CB-CD1 4.06Å; N210-I212 HydrophobicContact CB-CG1 3.89Å; I212-V215 HydrophobicContact CG2-CG1 3.76Å; I212-L230 HydrophobicContact CD1-CD2 4.15Å; I212-N233 HydrophobicContact CB-CB 4.33Å; I212-N233 WeakPolarHBondContact CB-OD1 3.43Å; I212-N233 VanDerWaalsContact CG1-OD1 3.24Å; I212-N233 WeakPolarHBondContact CG1-OD1 3.41Å; I212-N233 PolarHBondContact N-OD1 2.99Å; I212-H234 CarbonylContact O-C 3.25Å; I212-H234 WeakPolarHBondContact O-CA 3.17Å; I212-H234 PolarHBondContact O-N 3.03Å; I212-L235 HydrophobicContact CG2-CD2 3.85Å; I212-L235 PolarHBondContact O-N 3.11Å; I212-L235 VanDerWaalsContact O-N 3.07Å
213	Q	98.5	Very high	98.4	Very high	97 Å²	97	42.5 Å²	42.5	45%	0.453	21%	0.207	S	C	.	.			trans	-91.1	-31.1	177.3	-61.6	-177.9	6.1	0	0	113.3	S189 E211 H234 R236	S189-Q213 PolarHBondContact O-N 3.32Å; E211-Q213 PolarHBondContact O-N 3.09Å; Q213-H234 WeakPolarHBondContact CA-O 3.11Å; Q213-H234 HydrophobicContact CG-CB 4.11Å; Q213-R236 PolarHBondContact O-N 2.88Å
214	E	97.8	Very high	98.4	Very high	92 Å²	92	42.7 Å²	42.7	43%	0.43	21%	0.21	S	C	.	.			trans	-157.6	142.7	-177.4	-176.1	177.2	164.6	0	0	111.3	V191	V191-E214 PolarHBondContact N-O 3.32Å
215	V	98.4	Very high	98.4	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	21%	0.206	C	C	.	.			trans	-112.8	-11.3	172.2	-55.5	0	0	0	0	114	V191 I212 S217 S218 M219 L230 L235 P239	V191-V215 HydrophobicContact CB-CB 4.13Å; V191-V215 HydrophobicContact CB-CG1 3.98Å; V191-V215 HydrophobicContact CG2-CG1 3.9Å; I212-V215 HydrophobicContact CG2-CG1 3.76Å; V215-S217 PolarHBondContact O-N 2.84Å; V215-S218 VanDerWaalsContact O-CB 3.31Å; V215-S218 WeakPolarHBondContact O-CB 3.37Å; V215-S218 PolarHBondContact O-N 3.46Å; V215-S218 PolarHBondContact O-OG 3.31Å; V215-M219 HydrophobicContact CB-CE 4.09Å; V215-M219 HydrophobicContact CG1-CE 4.08Å; V215-M219 HydrophobicContact CG2-CE 4.4Å; V215-L230 HydrophobicContact CG1-CD1 4.43Å; V215-L230 HydrophobicContact CG1-CD2 4.02Å; V215-L235 HydrophobicContact CG1-CD2 4.27Å; V215-P239 HydrophobicContact CG2-CB 3.67Å; V215-P239 HydrophobicContact CG2-CG 3.72Å
216	G	97.7	Very high	98.4	Very high	10 Å²	10	45.3 Å²	45.3	10%	0.103	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	-132.1	-179.6	0	0	0	0	0	112.1	D240	G216-D240 PolarHBondContact O-N 3.2Å
217	S	97.9	Very high	98.4	Very high	35 Å²	35	43.7 Å²	43.7	25%	0.245	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	15.5	-178	71.6	0	0	0	0	113.7	N193 V215 M219 R220	N193-S217 PolarHBondContact OD1-N 3.16Å; N193-S217 VanDerWaalsContact OD1-N 3.08Å; V215-S217 PolarHBondContact O-N 2.84Å; S217-M219 PolarHBondContact O-N 3.41Å; S217-M219 VanDerWaalsContact O-N 3.15Å; S217-R220 PolarHBondContact O-N 3.1Å
218	S	98.3	Very high	98.4	Very high	6 Å²	6	43.7 Å²	43.7	4%	0.042	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.6	-171.4	67.4	0	0	0	0	114.1	V215	V215-S218 VanDerWaalsContact O-CB 3.31Å; V215-S218 WeakPolarHBondContact O-CB 3.37Å; V215-S218 PolarHBondContact O-N 3.46Å; V215-S218 PolarHBondContact O-OG 3.31Å
219	M	98.3	Very high	98.4	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-16	-173.4	-51.1	-51	-178.2	0	0	113.7	L196 L205 L207 V215 S217 G221 L222 L228 P239	L196-M219 HydrophobicContact CD1-CE 4.23Å; L196-M219 HydrophobicContact CD1-SD 3.73Å; L205-M219 HydrophobicContact CD2-CE 4.02Å; L205-M219 HydrophobicContact CD2-SD 4.01Å; L207-M219 HydrophobicContact CD1-CE 4.15Å; V215-M219 HydrophobicContact CB-CE 4.09Å; V215-M219 HydrophobicContact CG1-CE 4.08Å; V215-M219 HydrophobicContact CG2-CE 4.4Å; S217-M219 PolarHBondContact O-N 3.41Å; S217-M219 VanDerWaalsContact O-N 3.15Å; M219-G221 PolarHBondContact O-N 3.21Å; M219-G221 VanDerWaalsContact O-N 3.15Å; M219-L222 HydrophobicContact CB-CD1 4.41Å; M219-L222 PolarHBondContact O-N 2.96Å; M219-L222 HydrophobicContact SD-CD1 3.78Å; M219-L228 HydrophobicContact CE-CD1 4.02Å; M219-L228 HydrophobicContact CE-CD2 4.36Å; M219-L228 HydrophobicContact CG-CD2 4Å; M219-L228 HydrophobicContact SD-CD1 4.41Å; M219-L228 HydrophobicContact SD-CD2 4.36Å; M219-P239 HydrophobicContact CG-CB 4.48Å
220	R	97.1	Very high	98.4	Very high	137 Å²	137	39.5 Å²	39.5	52%	0.517	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-33.4	-173	-71.5	-172.4	178	173.9	-0.3	113.8	S217 D240	S217-R220 PolarHBondContact O-N 3.1Å; R220-D240 WeakPolarHBondContact CG-O 3.16Å; R220-D240 IonicContact CZ-OD1 3.93Å; R220-D240 IonicContact CZ-OD2 2.91Å; R220-D240 PolarHBondContact NE-O 3.27Å; R220-D240 PolarHBondContact NH2-O 3Å; R220-D240 IonicContact NH2-OD1 2.76Å; R220-D240 PolarHBondContact NH2-OD1 3.39Å; R220-D240 IonicContact NH2-OD2 3.8Å; R220-D240 PolarHBondContact NH2-OD2 2.95Å
221	G	97.2	Very high	98.4	Very high	43 Å²	43	39.2 Å²	39.2	44%	0.443	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-6.1	-175.5	0	0	0	0	0	115.2	M219 R223	M219-G221 PolarHBondContact O-N 3.21Å; M219-G221 VanDerWaalsContact O-N 3.15Å; G221-R223 VanDerWaalsContact C-N 3.3Å; G221-R223 PolarHBondContact O-N 3.43Å
222	L	98.5	Very high	98.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.			trans	-85.1	70.3	-170.9	-53.3	177	0	0	0	111	L196 L199 L202 L205 M219 S224 L225 P243	L196-L222 HydrophobicContact CB-CD2 4.02Å; L196-L222 HydrophobicContact CD1-CD1 3.97Å; L199-L222 HydrophobicContact CB-CD2 3.88Å; L202-L222 HydrophobicContact CD2-CD1 4.43Å; L202-L222 HydrophobicContact CD2-CD2 4.41Å; L205-L222 HydrophobicContact CD2-CD1 4.43Å; M219-L222 HydrophobicContact CB-CD1 4.41Å; M219-L222 PolarHBondContact O-N 2.96Å; M219-L222 HydrophobicContact SD-CD1 3.78Å; L222-S224 PolarHBondContact O-N 3.4Å; L222-S224 VanDerWaalsContact O-N 3.12Å; L222-L225 HydrophobicContact CB-CB 3.79Å; L222-L225 HydrophobicContact CB-CD2 4.2Å; L222-L225 HydrophobicContact CB-CG 4.47Å; L222-L225 HydrophobicContact CD1-CD2 3.82Å; L222-L225 VanDerWaalsContact O-CB 3.3Å; L222-L225 WeakPolarHBondContact O-CB 3.3Å; L222-L225 PolarHBondContact O-N 3.01Å; L222-P243 HydrophobicContact CB-CG 4.5Å; L222-P243 WeakPolarHBondContact O-CB 3.4Å
223	R	98.1	Very high	98.4	Very high	167 Å²	167	37.7 Å²	37.7	63%	0.63	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-26.6	-168.2	-67.4	178.3	178.1	163.9	-3.9	115.2	E200 G221 A245	E200-R223 IonicContact OE1-CZ 3.8Å; E200-R223 IonicContact OE1-NH1 3.36Å; E200-R223 PolarHBondContact OE1-NH1 3.14Å; E200-R223 IonicContact OE2-CZ 3.65Å; E200-R223 IonicContact OE2-NE 3.93Å; E200-R223 IonicContact OE2-NH1 2.8Å; E200-R223 PolarHBondContact OE2-NH1 3.36Å; G221-R223 VanDerWaalsContact C-N 3.3Å; G221-R223 PolarHBondContact O-N 3.43Å; R223-A245 WeakPolarHBondContact O-CB 3.23Å
224	S	98.7	Very high	98.4	Very high	45 Å²	45	37 Å²	37	32%	0.315	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	5.3	179.6	-53.6	0	0	0	0	113.6	E200 L202 T203 L222 I226	E200-S224 WeakPolarHBondContact O-CB 3.42Å; E200-S224 PolarHBondContact O-N 3.25Å; E200-S224 PolarHBondContact O-OG 3.45Å; L202-S224 CarbonylContact O-C 3.52Å; T203-S224 WeakPolarHBondContact CA-O 3.37Å; L222-S224 PolarHBondContact O-N 3.4Å; L222-S224 VanDerWaalsContact O-N 3.12Å; S224-I226 PolarHBondContact O-N 3.37Å
225	L	98.9	Very high	98.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.164	C	C	.	.			trans	-69.9	121.8	-174	-163.6	73.5	0	0	0	110.4	L202 L205 L222 L228 P243 A245 L246	L202-L225 HydrophobicContact CD2-CD1 4.14Å; L202-L225 HydrophobicContact CG-CD1 4.17Å; L202-L225 WeakPolarHBondContact O-CA 3.28Å; L202-L225 PolarHBondContact O-N 2.86Å; L205-L225 HydrophobicContact CB-CD1 3.95Å; L222-L225 HydrophobicContact CB-CB 3.79Å; L222-L225 HydrophobicContact CB-CD2 4.2Å; L222-L225 HydrophobicContact CB-CG 4.47Å; L222-L225 HydrophobicContact CD1-CD2 3.82Å; L222-L225 VanDerWaalsContact O-CB 3.3Å; L222-L225 WeakPolarHBondContact O-CB 3.3Å; L222-L225 PolarHBondContact O-N 3.01Å; L225-L228 HydrophobicContact CD2-CB 4.05Å; L225-P243 HydrophobicContact CB-CG 3.91Å; L225-P243 HydrophobicContact CD2-CG 3.98Å; L225-A245 CarbonylContact O-C 3.09Å; L225-L246 HydrophobicContact CB-CD1 4.44Å; L225-L246 HydrophobicContact CD2-CD1 3.97Å; L225-L246 HydrophobicContact CG-CD1 4.02Å; L225-L246 WeakPolarHBondContact O-CA 3.23Å; L225-L246 PolarHBondContact O-N 3.2Å; L225-L246 VanDerWaalsContact O-N 3.15Å
226	I	98.9	Very high	98.4	Very high	64 Å²	64	39.6 Å²	39.6	33%	0.328	19%	0.19	S	C	.	.			trans	-101.8	-42.7	179.6	-65.2	171.9	0	0	0	109.8	T203 S224 E247 Q248	T203-I226 PolarHBondContact O-N 3.45Å; S224-I226 PolarHBondContact O-N 3.37Å; I226-E247 HydrophobicContact CG2-CB 4.02Å; I226-E247 HydrophobicContact CG2-CG 4.13Å; I226-E247 PolarHBondContact O-N 3.09Å; I226-Q248 PolarHBondContact O-N 3.07Å
227	L	98.9	Very high	98.2	Very high	23 Å²	23	45 Å²	45	12%	0.12	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.8	-177	-174.8	158.9	0	0	0	111.1	T203 A204 L205 Y206 D229 Q248 Y250	T203-L227 PolarHBondContact O-N 2.95Å; T203-L227 VanDerWaalsContact O-N 3.12Å; A204-L227 HydrophobicContact CB-CB 4.45Å; L205-L227 PolarHBondContact N-O 2.89Å; L205-L227 VanDerWaalsContact N-O 3.07Å; Y206-L227 HydrophobicContact CD1-CD2 4.1Å; Y206-L227 HydrophobicContact CE1-CD1 4.36Å; Y206-L227 HydrophobicContact CE1-CD2 3.64Å; L227-D229 HydrophobicContact CD2-CB 4.14Å; L227-Q248 HydrophobicContact CB-CB 4.37Å; L227-Q248 HydrophobicContact CG-CB 4.21Å; L227-Y250 HydrophobicContact CD1-CE2 4.45Å
228	L	98.9	Very high	98.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	114.9	169.6	177.2	57.8	0	0	0	109.9	L205 M219 L225 L230 L246 Q248 L249 Y250	L205-L228 HydrophobicContact CB-CD1 4.15Å; L205-L228 HydrophobicContact CD2-CD1 3.89Å; L205-L228 HydrophobicContact CG-CD1 4.06Å; M219-L228 HydrophobicContact CE-CD1 4.02Å; M219-L228 HydrophobicContact CE-CD2 4.36Å; M219-L228 HydrophobicContact CG-CD2 4Å; M219-L228 HydrophobicContact SD-CD1 4.41Å; M219-L228 HydrophobicContact SD-CD2 4.36Å; L225-L228 HydrophobicContact CD2-CB 4.05Å; L228-L230 HydrophobicContact CD1-CD1 4.17Å; L228-L230 HydrophobicContact CD1-CG 4.02Å; L228-L230 HydrophobicContact CD2-CD1 3.82Å; L228-L230 HydrophobicContact CG-CD1 3.95Å; L228-L230 HydrophobicContact CG-CG 4.11Å; L228-L246 HydrophobicContact CB-CD1 3.95Å; L228-Q248 PolarHBondContact N-O 2.87Å; L228-L249 HydrophobicContact CB-CD1 4.15Å; L228-L249 HydrophobicContact CD2-CD1 3.91Å; L228-L249 HydrophobicContact CG-CD1 4.08Å; L228-Y250 PolarHBondContact O-N 2.89Å
229	D	98.9	Very high	98.3	Very high	11 Å²	11	43.9 Å²	43.9	6%	0.059	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	113.7	175	-164.4	-14.2	0	0	0	111.1	L205 Y206 L207 Q208 L227 S231 Y250	L205-D229 PolarHBondContact O-N 3.17Å; Y206-D229 HydrophobicContact CD1-CB 4.3Å; L207-D229 CarbonylContact C-O 3.19Å; L207-D229 WeakPolarHBondContact CA-O 3.25Å; L207-D229 WeakPolarHBondContact CB-O 3.24Å; L207-D229 PolarHBondContact N-O 3.06Å; Q208-D229 PolarHBondContact N-O 2.96Å; Q208-D229 PolarHBondContact OE1-OD2 3.42Å; L227-D229 HydrophobicContact CD2-CB 4.14Å; D229-S231 VanDerWaalsContact OD1-CB 3.26Å; D229-S231 WeakPolarHBondContact OD1-CB 3.49Å; D229-S231 PolarHBondContact OD1-N 3.05Å; D229-S231 PolarHBondContact OD1-OG 2.99Å; D229-Y250 HydrophobicContact CB-CD2 4.24Å
230	L	98.9	Very high	98.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.226	C	C	.	.			trans	-122.5	17.1	177.2	-73.3	165.7	0	0	0	111.1	L207 I212 V215 L228 N233 L235 P239 Y250 M251 N254	L207-L230 HydrophobicContact CB-CD2 3.88Å; L207-L230 HydrophobicContact CD1-CD2 3.86Å; I212-L230 HydrophobicContact CD1-CD2 4.15Å; V215-L230 HydrophobicContact CG1-CD1 4.43Å; V215-L230 HydrophobicContact CG1-CD2 4.02Å; L228-L230 HydrophobicContact CD1-CD1 4.17Å; L228-L230 HydrophobicContact CD1-CG 4.02Å; L228-L230 HydrophobicContact CD2-CD1 3.82Å; L228-L230 HydrophobicContact CG-CD1 3.95Å; L228-L230 HydrophobicContact CG-CG 4.11Å; L230-N233 PolarHBondContact O-ND2 3.01Å; L230-L235 HydrophobicContact CB-CD1 3.87Å; L230-L235 HydrophobicContact CD1-CD1 4.1Å; L230-L235 HydrophobicContact CG-CD1 4.42Å; L230-P239 HydrophobicContact CD1-CG 4.02Å; L230-Y250 CarbonylContact C-O 3.54Å; L230-Y250 WeakPolarHBondContact CA-O 3.26Å; L230-Y250 PolarHBondContact N-O 3.5Å; L230-M251 HydrophobicContact CB-CG 4.27Å; L230-N254 PolarHBondContact O-ND2 2.91Å
231	S	98.9	Very high	98.2	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.014	21%	0.212	C	C	.	.			trans	-62.6	158.1	179.4	62.3	0	0	0	0	112.1	Q208 H209 D229 N233 Y250 E252	Q208-S231 WeakPolarHBondContact CA-O 3.17Å; Q208-S231 WeakPolarHBondContact CB-O 3.17Å; Q208-S231 WeakPolarHBondContact CB-OG 3.23Å; H209-S231 PolarHBondContact N-O 2.84Å; D229-S231 VanDerWaalsContact OD1-CB 3.26Å; D229-S231 WeakPolarHBondContact OD1-CB 3.49Å; D229-S231 PolarHBondContact OD1-N 3.05Å; D229-S231 PolarHBondContact OD1-OG 2.99Å; S231-N233 PolarHBondContact O-N 2.65Å; S231-N233 PolarHBondContact O-ND2 3.43Å; S231-Y250 PolarHBondContact N-O 3.16Å; S231-E252 CarbonylContact C-O 3.57Å; S231-E252 VanDerWaalsContact CA-O 3.25Å; S231-E252 WeakPolarHBondContact CA-O 3.39Å
232	Y	98.9	Very high	98.3	Very high	53 Å²	53	41.5 Å²	41.5	21%	0.208	20%	0.195	C	C	.	.	S	Bend	trans	52.4	56.1	177.8	-60.3	-88.6	0	0	0	113.1	W26 H209 N210 E252 H253	W26-Y232 WeakPolarHBondContact CH2-OH 3.09Å; H209-Y232 VanDerWaalsContact CA-O 3.32Å; H209-Y232 WeakPolarHBondContact CA-O 3.43Å; H209-Y232 AromaticContact CE1-CD1 3.65Å; H209-Y232 AromaticContact CE1-CD2 3.9Å; H209-Y232 AromaticContact CE1-CG 3.45Å; H209-Y232 VanDerWaalsContact CE1-CG 3.45Å; H209-Y232 PolarHBondContact N-O 3.04Å; H209-Y232 AromaticContact ND1-CG 3.94Å; H209-Y232 AromaticContact NE2-CD2 3.58Å; H209-Y232 AromaticContact NE2-CG 3.62Å; N210-Y232 PolarHBondContact N-O 3.48Å; Y232-E252 HydrophobicContact CE2-CG 4.44Å; Y232-E252 PolarHBondContact N-O 3.19Å; Y232-H253 WeakPolarHBondContact CA-O 3.1Å; Y232-H253 HydrophobicContact CD1-CB 3.57Å; Y232-H253 AromaticContact CD1-CG 3.77Å; Y232-H253 HydrophobicContact CD2-CB 4.48Å; Y232-H253 HydrophobicContact CE1-CB 3.76Å; Y232-H253 AromaticContact CE1-CD2 3.39Å; Y232-H253 WeakPolarHBondContact CE1-CD2 3.24Å; Y232-H253 AromaticContact CE1-CG 3.39Å; Y232-H253 AromaticContact CE1-ND1 3.82Å; Y232-H253 AromaticContact CE1-NE2 3.82Å; Y232-H253 AromaticContact CE2-CD2 3.98Å; Y232-H253 HydrophobicContact CG-CB 3.96Å; Y232-H253 AromaticContact CZ-CD2 3.3Å; Y232-H253 AromaticContact CZ-CG 3.81Å; Y232-H253 AromaticContact CZ-NE2 3.76Å; Y232-H253 PolarHBondContact N-O 3.18Å; Y232-H253 PolarHBondContact OH-CD2 3.34Å; Y232-H253 VanDerWaalsContact OH-CD2 3.31Å; Y232-H253 PolarHBondContact OH-NE2 3.08Å
233	N	98.9	Very high	98.3	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	20%	0.196	C	C	.	.	S	Bend	trans	-131.3	-165.4	178.8	-89	-81.2	0	0	0	110.1	L207 N210 E211 I212 L230 S231 L235 H253 N254	L207-N233 PolarHBondContact O-ND2 3.39Å; N210-N233 WeakPolarHBondContact CA-OD1 3.37Å; N210-N233 WeakPolarHBondContact CB-OD1 3.26Å; N210-N233 PolarHBondContact O-OD1 3.07Å; E211-N233 PolarHBondContact N-OD1 3.21Å; I212-N233 HydrophobicContact CB-CB 4.33Å; I212-N233 WeakPolarHBondContact CB-OD1 3.43Å; I212-N233 VanDerWaalsContact CG1-OD1 3.24Å; I212-N233 WeakPolarHBondContact CG1-OD1 3.41Å; I212-N233 PolarHBondContact N-OD1 2.99Å; L230-N233 PolarHBondContact O-ND2 3.01Å; S231-N233 PolarHBondContact O-N 2.65Å; S231-N233 PolarHBondContact O-ND2 3.43Å; N233-L235 HydrophobicContact CB-CG 4.42Å; N233-H253 PolarHBondContact N-O 2.96Å; N233-N254 WeakPolarHBondContact CA-OD1 3.16Å; N233-N254 WeakPolarHBondContact CB-OD1 3.12Å; N233-N254 PolarHBondContact O-OD1 3.19Å
234	H	98.8	Very high	98.2	Very high	83 Å²	83	37.5 Å²	37.5	38%	0.384	19%	0.192	S	C	.	.			trans	-117.2	29.1	178.7	-60.2	-36.1	0	0	0	112.1	I212 Q213 R236 N254	I212-H234 CarbonylContact O-C 3.25Å; I212-H234 WeakPolarHBondContact O-CA 3.17Å; I212-H234 PolarHBondContact O-N 3.03Å; Q213-H234 WeakPolarHBondContact CA-O 3.11Å; Q213-H234 HydrophobicContact CG-CB 4.11Å; H234-R236 PolarHBondContact O-N 3.34Å; H234-N254 PolarHBondContact N-OD1 2.87Å
235	L	98.7	Very high	98.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.			trans	-61.9	122.7	-175.8	-68.9	177	0	0	0	110.1	I212 V215 L230 N233 N254 N255 V256	I212-L235 HydrophobicContact CG2-CD2 3.85Å; I212-L235 PolarHBondContact O-N 3.11Å; I212-L235 VanDerWaalsContact O-N 3.07Å; V215-L235 HydrophobicContact CG1-CD2 4.27Å; L230-L235 HydrophobicContact CB-CD1 3.87Å; L230-L235 HydrophobicContact CD1-CD1 4.1Å; L230-L235 HydrophobicContact CG-CD1 4.42Å; N233-L235 HydrophobicContact CB-CG 4.42Å; L235-N254 HydrophobicContact CB-CB 4.12Å; L235-N254 WeakPolarHBondContact CB-OD1 3.5Å; L235-N254 WeakPolarHBondContact CG-OD1 3.33Å; L235-N254 PolarHBondContact N-OD1 2.87Å; L235-N255 CarbonylContact O-C 3.51Å; L235-N255 VanDerWaalsContact O-CA 3.22Å; L235-N255 WeakPolarHBondContact O-CA 3.48Å; L235-N255 PolarHBondContact O-N 3.07Å; L235-V256 HydrophobicContact CB-CG2 4.19Å; L235-V256 PolarHBondContact O-N 2.88Å; L235-V256 VanDerWaalsContact O-N 3.09Å
236	R	96.9	Very high	98.2	Very high	148 Å²	148	36.4 Å²	36.4	56%	0.558	19%	0.186	S	C	*	.	S	Bend	trans	-92.3	-19.7	173.6	-62.8	-178.5	-177.1	170	1.4	112.6	Q213 H234 Y257	Q213-R236 PolarHBondContact O-N 2.88Å; H234-R236 PolarHBondContact O-N 3.34Å; R236-Y257 HydrophobicContact CB-CE1 4.31Å; R236-Y257 WeakPolarHBondContact O-CD1 3.16Å; R236-Y257 WeakPolarHBondContact O-CE1 3.32Å
237	K	94.8	Very high	98.2	Very high	124 Å²	124	36.4 Å²	36.4	54%	0.539	18%	0.184	S	C	.	.	S	Bend	trans	-138.1	149.3	-177.9	-65	-179.3	-179.8	176.5	0	109.1
238	V	98.3	Very high	98.2	Very high	16 Å²	16	37.8 Å²	37.8	10%	0.097	19%	0.19	C	C	.	.			trans	-65.6	156.1	167.8	-61	0	0	0	0	110.9	M251 V256 V259 P260 Y263	V238-M251 HydrophobicContact CG1-CE 4.07Å; V238-M251 HydrophobicContact CG1-SD 4.32Å; V238-V256 HydrophobicContact CG1-CG1 3.83Å; V238-V259 HydrophobicContact CG1-CG2 4.03Å; V238-P260 HydrophobicContact CG2-CG 4.4Å; V238-Y263 HydrophobicContact CB-CE1 4.15Å; V238-Y263 HydrophobicContact CB-CE2 4.27Å; V238-Y263 HydrophobicContact CG2-CD2 4.09Å; V238-Y263 HydrophobicContact CG2-CE1 4.11Å; V238-Y263 HydrophobicContact CG2-CE2 3.56Å
239	P	98.4	Very high	98.2	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.013	19%	0.19	C	C	.	.			trans	-51.3	139.7	173.7	-25.9	32.4	0	0	0	112.8	V215 M219 L230 G241 L242 M251 Y263	V215-P239 HydrophobicContact CG2-CB 3.67Å; V215-P239 HydrophobicContact CG2-CG 3.72Å; M219-P239 HydrophobicContact CG-CB 4.48Å; L230-P239 HydrophobicContact CD1-CG 4.02Å; P239-G241 VanDerWaalsContact C-N 3.31Å; P239-G241 PolarHBondContact O-N 2.94Å; P239-L242 HydrophobicContact CB-CD2 4.24Å; P239-L242 HydrophobicContact CG-CD2 4.33Å; P239-M251 HydrophobicContact CG-SD 4.46Å; P239-Y263 WeakPolarHBondContact CD-OH 3.25Å; P239-Y263 VanDerWaalsContact O-CE2 3.25Å; P239-Y263 WeakPolarHBondContact O-CE2 3.17Å; P239-Y263 PolarHBondContact O-OH 3.16Å
240	D	97.8	Very high	98.2	Very high	92 Å²	92	38 Å²	38	49%	0.492	19%	0.19	S	C	.	.	S	Bend	trans	-80.5	82	176.1	-178.9	17.2	0	0	0	110.1	G216 R220	G216-D240 PolarHBondContact O-N 3.2Å; R220-D240 WeakPolarHBondContact CG-O 3.16Å; R220-D240 IonicContact CZ-OD1 3.93Å; R220-D240 IonicContact CZ-OD2 2.91Å; R220-D240 PolarHBondContact NE-O 3.27Å; R220-D240 PolarHBondContact NH2-O 3Å; R220-D240 IonicContact NH2-OD1 2.76Å; R220-D240 PolarHBondContact NH2-OD1 3.39Å; R220-D240 IonicContact NH2-OD2 3.8Å; R220-D240 PolarHBondContact NH2-OD2 2.95Å
241	G	96.7	Very high	98.2	Very high	22 Å²	22	38 Å²	38	23%	0.227	19%	0.19	C	C	.	.	S	Bend	trans	95.7	122	178.5	0	0	0	0	0	112.9	P239	P239-G241 VanDerWaalsContact C-N 3.31Å; P239-G241 PolarHBondContact O-N 2.94Å
242	L	98.2	Very high	98.2	Very high	16 Å²	16	38.3 Å²	38.3	8%	0.084	19%	0.192	C	C	.	.			trans	-92	149.8	176.9	-61.6	175.7	0	0	0	110.9	P239 L246 L249 Y263 F264 A267 L270	P239-L242 HydrophobicContact CB-CD2 4.24Å; P239-L242 HydrophobicContact CG-CD2 4.33Å; L242-L246 HydrophobicContact CB-CD2 4.39Å; L242-L246 HydrophobicContact CD1-CD2 4.37Å; L242-L246 HydrophobicContact CD2-CD2 4.03Å; L242-L246 HydrophobicContact CG-CD2 4.5Å; L242-L249 HydrophobicContact CD1-CD2 3.78Å; L242-L249 HydrophobicContact CD2-CD2 3.94Å; L242-Y263 HydrophobicContact CD1-CE1 3.77Å; L242-Y263 WeakPolarHBondContact CD2-OH 3.46Å; L242-Y263 HydrophobicContact CG-CE1 4.22Å; L242-Y263 WeakPolarHBondContact CG-OH 3.48Å; L242-F264 HydrophobicContact CD1-CD1 4.15Å; L242-F264 HydrophobicContact CD1-CE1 4.44Å; L242-A267 HydrophobicContact CB-CB 4.07Å; L242-A267 HydrophobicContact CD1-CB 4.1Å; L242-L270 HydrophobicContact CD1-CD2 4.41Å
243	P	98	Very high	98.2	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.019	20%	0.196	C	C	.	.			trans	-70.7	148	171.7	27	-29.4	0	0	0	111.4	L222 L225 A245 L246	L222-P243 HydrophobicContact CB-CG 4.5Å; L222-P243 WeakPolarHBondContact O-CB 3.4Å; L225-P243 HydrophobicContact CB-CG 3.91Å; L225-P243 HydrophobicContact CD2-CG 3.98Å; P243-A245 VanDerWaalsContact C-N 3.27Å; P243-A245 PolarHBondContact O-N 3.24Å; P243-L246 HydrophobicContact CG-CB 4.23Å; P243-L246 HydrophobicContact CG-CD1 4.38Å; P243-L246 WeakPolarHBondContact O-CB 3.39Å; P243-L246 PolarHBondContact O-N 3.01Å
244	S	97.9	Very high	98.2	Very high	80 Å²	80	39 Å²	39	56%	0.559	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-17.2	-171.1	-51.5	0	0	0	0	115
245	A	98.5	Very high	98.2	Very high	21 Å²	21	38.5 Å²	38.5	17%	0.174	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-3.5	179.2	0	0	0	0	0	113.8	R223 L225 P243 E247	R223-A245 WeakPolarHBondContact O-CB 3.23Å; L225-A245 CarbonylContact O-C 3.09Å; P243-A245 VanDerWaalsContact C-N 3.27Å; P243-A245 PolarHBondContact O-N 3.24Å; A245-E247 PolarHBondContact O-N 3Å
246	L	98.8	Very high	98.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.197	C	C	.	.			trans	-63.5	132.2	-173.4	-161.5	70.2	0	0	0	111.6	L225 L228 L242 P243 L249 K269 L270	L225-L246 HydrophobicContact CB-CD1 4.44Å; L225-L246 HydrophobicContact CD2-CD1 3.97Å; L225-L246 HydrophobicContact CG-CD1 4.02Å; L225-L246 WeakPolarHBondContact O-CA 3.23Å; L225-L246 PolarHBondContact O-N 3.2Å; L225-L246 VanDerWaalsContact O-N 3.15Å; L228-L246 HydrophobicContact CB-CD1 3.95Å; L242-L246 HydrophobicContact CB-CD2 4.39Å; L242-L246 HydrophobicContact CD1-CD2 4.37Å; L242-L246 HydrophobicContact CD2-CD2 4.03Å; L242-L246 HydrophobicContact CG-CD2 4.5Å; P243-L246 HydrophobicContact CG-CB 4.23Å; P243-L246 HydrophobicContact CG-CD1 4.38Å; P243-L246 WeakPolarHBondContact O-CB 3.39Å; P243-L246 PolarHBondContact O-N 3.01Å; L246-L249 HydrophobicContact CD2-CB 4.06Å; L246-L249 HydrophobicContact CD2-CD1 4.33Å; L246-L249 HydrophobicContact CD2-CD2 4.43Å; L246-K269 CarbonylContact O-C 3.57Å; L246-K269 VanDerWaalsContact O-C 3.22Å; L246-L270 HydrophobicContact CB-CD1 4.26Å; L246-L270 HydrophobicContact CD2-CD1 3.97Å; L246-L270 HydrophobicContact CG-CD1 3.93Å; L246-L270 VanDerWaalsContact O-CA 3.23Å; L246-L270 WeakPolarHBondContact O-CA 3.4Å; L246-L270 PolarHBondContact O-N 2.84Å; L246-L270 VanDerWaalsContact O-N 3.13Å
247	E	98.9	Very high	98.3	Very high	65 Å²	65	37 Å²	37	30%	0.304	19%	0.192	S	C	.	.			trans	-115	-32.4	178.8	-60.7	-173.8	179.8	0	0	111.9	I226 A245 K269 L271 Y272	I226-E247 HydrophobicContact CG2-CB 4.02Å; I226-E247 HydrophobicContact CG2-CG 4.13Å; I226-E247 PolarHBondContact O-N 3.09Å; A245-E247 PolarHBondContact O-N 3Å; E247-K269 HydrophobicContact CG-CB 4.37Å; E247-L271 HydrophobicContact CB-CG 4.47Å; E247-L271 PolarHBondContact O-N 3.14Å; E247-Y272 PolarHBondContact O-N 2.89Å
248	Q	98.9	Very high	98.4	Very high	51 Å²	51	33.9 Å²	33.9	24%	0.238	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	124.2	-177	-67.8	171.8	57.3	0	0	111	I226 L227 L228 Y250 Y272	I226-Q248 PolarHBondContact O-N 3.07Å; L227-Q248 HydrophobicContact CB-CB 4.37Å; L227-Q248 HydrophobicContact CG-CB 4.21Å; L228-Q248 PolarHBondContact N-O 2.87Å; Q248-Y250 HydrophobicContact CB-CE1 4.43Å; Q248-Y250 HydrophobicContact CB-CE2 4.31Å; Q248-Y250 PolarHBondContact OE1-OH 2.98Å; Q248-Y272 HydrophobicContact CG-CD2 3.74Å; Q248-Y272 HydrophobicContact CG-CG 4.42Å
249	L	98.9	Very high	98.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	113.3	177.8	178.4	60.1	0	0	0	111.2	L228 L242 L246 M251 F264 L270 Y272 V273 R274	L228-L249 HydrophobicContact CB-CD1 4.15Å; L228-L249 HydrophobicContact CD2-CD1 3.91Å; L228-L249 HydrophobicContact CG-CD1 4.08Å; L242-L249 HydrophobicContact CD1-CD2 3.78Å; L242-L249 HydrophobicContact CD2-CD2 3.94Å; L246-L249 HydrophobicContact CD2-CB 4.06Å; L246-L249 HydrophobicContact CD2-CD1 4.33Å; L246-L249 HydrophobicContact CD2-CD2 4.43Å; L249-M251 HydrophobicContact CD1-CE 4.39Å; L249-M251 HydrophobicContact CD1-CG 4.04Å; L249-M251 HydrophobicContact CD1-SD 4.2Å; L249-M251 HydrophobicContact CD2-CE 3.64Å; L249-M251 HydrophobicContact CD2-SD 4.37Å; L249-M251 HydrophobicContact CG-CE 3.9Å; L249-M251 HydrophobicContact CG-CG 4.26Å; L249-M251 HydrophobicContact CG-SD 4.35Å; L249-F264 HydrophobicContact CD2-CE1 4.22Å; L249-L270 HydrophobicContact CB-CD1 3.96Å; L249-Y272 PolarHBondContact N-O 3.37Å; L249-V273 WeakPolarHBondContact O-CA 3.37Å; L249-R274 PolarHBondContact O-N 3.23Å
250	Y	98.9	Very high	98.4	Very high	17 Å²	17	36.3 Å²	36.3	7%	0.067	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.7	-178.9	-53.1	-38.7	0	0	0	110.1	L227 L228 D229 L230 S231 Q248 E252 R274	L227-Y250 HydrophobicContact CD1-CE2 4.45Å; L228-Y250 PolarHBondContact O-N 2.89Å; D229-Y250 HydrophobicContact CB-CD2 4.24Å; L230-Y250 CarbonylContact C-O 3.54Å; L230-Y250 WeakPolarHBondContact CA-O 3.26Å; L230-Y250 PolarHBondContact N-O 3.5Å; S231-Y250 PolarHBondContact N-O 3.16Å; Q248-Y250 HydrophobicContact CB-CE1 4.43Å; Q248-Y250 HydrophobicContact CB-CE2 4.31Å; Q248-Y250 PolarHBondContact OE1-OH 2.98Å; Y250-E252 WeakPolarHBondContact CA-OE2 3.22Å; Y250-E252 WeakPolarHBondContact CB-OE2 3.21Å; Y250-R274 HydrophobicContact CD1-CB 3.98Å; Y250-R274 HydrophobicContact CD1-CG 3.74Å; Y250-R274 HydrophobicContact CE1-CG 4.09Å
251	M	98.9	Very high	98.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.2	C	C	.	.			trans	-143.5	19.9	-177.4	-64.7	-174	-66.7	0	0	111.2	L230 V238 P239 L249 N254 R274 L275 N278	L230-M251 HydrophobicContact CB-CG 4.27Å; V238-M251 HydrophobicContact CG1-CE 4.07Å; V238-M251 HydrophobicContact CG1-SD 4.32Å; P239-M251 HydrophobicContact CG-SD 4.46Å; L249-M251 HydrophobicContact CD1-CE 4.39Å; L249-M251 HydrophobicContact CD1-CG 4.04Å; L249-M251 HydrophobicContact CD1-SD 4.2Å; L249-M251 HydrophobicContact CD2-CE 3.64Å; L249-M251 HydrophobicContact CD2-SD 4.37Å; L249-M251 HydrophobicContact CG-CE 3.9Å; L249-M251 HydrophobicContact CG-CG 4.26Å; L249-M251 HydrophobicContact CG-SD 4.35Å; M251-N254 PolarHBondContact O-ND2 2.91Å; M251-N254 VanDerWaalsContact O-ND2 3.08Å; M251-R274 CarbonylContact C-O 3.55Å; M251-R274 PolarHBondContact N-O 3.41Å; M251-L275 HydrophobicContact CB-CD2 3.98Å; M251-L275 HydrophobicContact CE-CD1 4.25Å; M251-L275 HydrophobicContact CE-CD2 3.78Å; M251-L275 HydrophobicContact CE-CG 4Å; M251-N278 PolarHBondContact O-ND2 3.21Å
252	E	98.8	Very high	98.3	Very high	8 Å²	8	37 Å²	37	4%	0.037	20%	0.201	C	C	.	.			trans	-62	156.7	174.7	65.7	-87.1	-148.8	0	0	111.8	S231 Y232 Y250 N254 R274 S276	S231-E252 CarbonylContact C-O 3.57Å; S231-E252 VanDerWaalsContact CA-O 3.25Å; S231-E252 WeakPolarHBondContact CA-O 3.39Å; Y232-E252 HydrophobicContact CE2-CG 4.44Å; Y232-E252 PolarHBondContact N-O 3.19Å; Y250-E252 WeakPolarHBondContact CA-OE2 3.22Å; Y250-E252 WeakPolarHBondContact CB-OE2 3.21Å; E252-N254 PolarHBondContact O-ND2 3.31Å; E252-N254 VanDerWaalsContact O-ND2 3.12Å; E252-R274 HydrophobicContact CB-CB 4.48Å; E252-R274 PolarHBondContact N-O 2.82Å; E252-R274 IonicContact OE1-NH1 3.72Å; E252-R274 VanDerWaalsContact OE2-CB 3.29Å; E252-R274 WeakPolarHBondContact OE2-CB 3.4Å; E252-S276 CarbonylContact C-O 3.27Å; E252-S276 WeakPolarHBondContact CA-O 3.36Å; E252-S276 WeakPolarHBondContact CB-O 3.49Å; E252-S276 WeakPolarHBondContact CB-OG 3.32Å
253	H	98.9	Very high	98.3	Very high	65 Å²	65	37.6 Å²	37.6	30%	0.301	20%	0.202	S	C	.	.	S	Bend	trans	54.1	56.5	-178.6	-67.5	-88.8	0	0	0	112.9	Y232 N233 S276 H277	Y232-H253 WeakPolarHBondContact CA-O 3.1Å; Y232-H253 HydrophobicContact CD1-CB 3.57Å; Y232-H253 AromaticContact CD1-CG 3.77Å; Y232-H253 HydrophobicContact CD2-CB 4.48Å; Y232-H253 HydrophobicContact CE1-CB 3.76Å; Y232-H253 AromaticContact CE1-CD2 3.39Å; Y232-H253 WeakPolarHBondContact CE1-CD2 3.24Å; Y232-H253 AromaticContact CE1-CG 3.39Å; Y232-H253 AromaticContact CE1-ND1 3.82Å; Y232-H253 AromaticContact CE1-NE2 3.82Å; Y232-H253 AromaticContact CE2-CD2 3.98Å; Y232-H253 HydrophobicContact CG-CB 3.96Å; Y232-H253 AromaticContact CZ-CD2 3.3Å; Y232-H253 AromaticContact CZ-CG 3.81Å; Y232-H253 AromaticContact CZ-NE2 3.76Å; Y232-H253 PolarHBondContact N-O 3.18Å; Y232-H253 PolarHBondContact OH-CD2 3.34Å; Y232-H253 VanDerWaalsContact OH-CD2 3.31Å; Y232-H253 PolarHBondContact OH-NE2 3.08Å; N233-H253 PolarHBondContact N-O 2.96Å; H253-S276 PolarHBondContact N-O 2.77Å; H253-H277 WeakPolarHBondContact CA-O 3.33Å; H253-H277 HydrophobicContact CB-CB 4.49Å; H253-H277 AromaticContact CE1-CD2 3.52Å; H253-H277 AromaticContact CE1-CG 3.38Å; H253-H277 AromaticContact CE1-ND1 3.77Å; H253-H277 AromaticContact CE1-NE2 3.99Å; H253-H277 PolarHBondContact N-O 3.05Å; H253-H277 AromaticContact ND1-CG 3.8Å; H253-H277 AromaticContact NE2-CD2 3.36Å; H253-H277 PolarHBondContact NE2-CD2 3.12Å; H253-H277 AromaticContact NE2-CG 3.66Å; H253-H277 AromaticContact NE2-NE2 3.99Å
254	N	98.9	Very high	98.3	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.032	20%	0.201	C	C	.	.	S	Bend	trans	-131	-170.4	175.7	-86.4	-80.1	0	0	0	110.3	L230 N233 H234 L235 M251 E252 V256 H277 N278	L230-N254 PolarHBondContact O-ND2 2.91Å; N233-N254 WeakPolarHBondContact CA-OD1 3.16Å; N233-N254 WeakPolarHBondContact CB-OD1 3.12Å; N233-N254 PolarHBondContact O-OD1 3.19Å; H234-N254 PolarHBondContact N-OD1 2.87Å; L235-N254 HydrophobicContact CB-CB 4.12Å; L235-N254 WeakPolarHBondContact CB-OD1 3.5Å; L235-N254 WeakPolarHBondContact CG-OD1 3.33Å; L235-N254 PolarHBondContact N-OD1 2.87Å; M251-N254 PolarHBondContact O-ND2 2.91Å; M251-N254 VanDerWaalsContact O-ND2 3.08Å; E252-N254 PolarHBondContact O-ND2 3.31Å; E252-N254 VanDerWaalsContact O-ND2 3.12Å; N254-V256 HydrophobicContact CB-CG2 4.23Å; N254-H277 PolarHBondContact N-O 2.7Å; N254-N278 WeakPolarHBondContact CA-OD1 3.15Å; N254-N278 WeakPolarHBondContact CB-OD1 3.46Å; N254-N278 PolarHBondContact O-OD1 2.74Å
255	N	98.7	Very high	98.2	Very high	72 Å²	72	41.5 Å²	41.5	39%	0.385	20%	0.204	S	C	.	.			trans	-115.1	30.4	179.3	-53.7	118	0	0	0	112	L235 Y257 N278	L235-N255 CarbonylContact O-C 3.51Å; L235-N255 VanDerWaalsContact O-CA 3.22Å; L235-N255 WeakPolarHBondContact O-CA 3.48Å; L235-N255 PolarHBondContact O-N 3.07Å; N255-Y257 PolarHBondContact O-N 3.32Å; N255-N278 PolarHBondContact N-OD1 3.4Å
256	V	98.7	Very high	98.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.			trans	-71.2	124.6	-178.3	-177.1	0	0	0	0	109	L235 V238 N254 V259 N278 S279 L280	L235-V256 HydrophobicContact CB-CG2 4.19Å; L235-V256 PolarHBondContact O-N 2.88Å; L235-V256 VanDerWaalsContact O-N 3.09Å; V238-V256 HydrophobicContact CG1-CG1 3.83Å; N254-V256 HydrophobicContact CB-CG2 4.23Å; V256-V259 HydrophobicContact CG1-CG2 4.42Å; V256-N278 HydrophobicContact CB-CB 4.42Å; V256-N278 VanDerWaalsContact CB-OD1 3.23Å; V256-N278 WeakPolarHBondContact CB-OD1 3.35Å; V256-N278 WeakPolarHBondContact CG2-OD1 3.36Å; V256-N278 PolarHBondContact N-OD1 3.26Å; V256-S279 CarbonylContact O-C 3.54Å; V256-S279 VanDerWaalsContact O-C 3.31Å; V256-S279 WeakPolarHBondContact O-CA 3.39Å; V256-S279 PolarHBondContact O-N 3.18Å; V256-L280 HydrophobicContact CG1-CD2 3.94Å; V256-L280 PolarHBondContact O-N 3.4Å
257	Y	98.3	Very high	98.1	Very high	116 Å²	116	42.5 Å²	42.5	46%	0.455	22%	0.216	S	C	.	.			trans	-118.4	-6.3	-179.2	63.2	-88.5	0	0	0	113.7	R236 N255 S279	R236-Y257 HydrophobicContact CB-CE1 4.31Å; R236-Y257 WeakPolarHBondContact O-CD1 3.16Å; R236-Y257 WeakPolarHBondContact O-CE1 3.32Å; N255-Y257 PolarHBondContact O-N 3.32Å; Y257-S279 WeakPolarHBondContact CA-O 3.42Å
258	T	97.8	Very high	98	Very high	60 Å²	60	43.4 Å²	43.4	37%	0.368	23%	0.227	S	C	.	.			trans	-149.4	142.2	-179.3	-65.2	0	0	0	0	110.4	G284	T258-G284 VanDerWaalsContact CA-O 3.27Å; T258-G284 WeakPolarHBondContact CA-O 3.27Å; T258-G284 WeakPolarHBondContact CG2-O 3.45Å
259	V	98.2	Very high	98	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.018	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-128.2	129.3	171.2	-175.3	0	0	0	0	108.5	V238 V256 Y263 L280 G284 L285 T289	V238-V259 HydrophobicContact CG1-CG2 4.03Å; V256-V259 HydrophobicContact CG1-CG2 4.42Å; V259-Y263 HydrophobicContact CG1-CD1 3.81Å; V259-Y263 HydrophobicContact CG1-CG 3.88Å; V259-L280 HydrophobicContact CG2-CD2 3.95Å; V259-G284 PolarHBondContact N-O 3.21Å; V259-L285 HydrophobicContact CB-CD2 3.77Å; V259-L285 HydrophobicContact CG2-CD2 3.89Å; V259-T289 HydrophobicContact CB-CG2 3.74Å; V259-T289 HydrophobicContact CG1-CG2 3.46Å; V259-T289 VanDerWaalsContact CG1-CG2 3.46Å
260	P	97	Very high	98	Very high	66 Å²	66	46.7 Å²	46.7	43%	0.429	24%	0.241	S	C	.	.			trans	-60.3	164	-177.1	-24.6	34.2	0	0	0	115	V238 Y263 T289	V238-P260 HydrophobicContact CG2-CG 4.4Å; P260-Y263 HydrophobicContact CB-CD2 4.46Å; P260-Y263 HydrophobicContact CG-CD2 4.12Å; P260-Y263 WeakPolarHBondContact O-CB 3.47Å; P260-T289 PolarHBondContact O-OG1 3.01Å
261	D	97.5	Very high	98	Very high	95 Å²	95	48.1 Å²	48.1	51%	0.508	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	138.9	169.7	-171.9	97.8	0	0	0	111	Y263 A286 N288	D261-Y263 PolarHBondContact O-N 2.83Å; D261-A286 HydrophobicContact CB-CB 3.87Å; D261-A286 WeakPolarHBondContact OD1-CB 3.29Å; D261-N288 VanDerWaalsContact CG-ND2 3.27Å; D261-N288 PolarHBondContact OD1-ND2 3.41Å; D261-N288 PolarHBondContact OD1-OD1 2.91Å; D261-N288 PolarHBondContact OD2-ND2 2.92Å; D261-N288 PolarHBondContact OD2-OD1 3.37Å
262	S	96.8	Very high	98	Very high	34 Å²	34	52 Å²	52	24%	0.238	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	22.8	176.4	-61.1	0	0	0	0	115.5	F264 R265 N288	S262-F264 PolarHBondContact O-N 3.17Å; S262-R265 WeakPolarHBondContact O-CB 3.49Å; S262-R265 PolarHBondContact O-N 2.95Å; S262-N288 PolarHBondContact N-OD1 3.1Å; S262-N288 PolarHBondContact OG-ND2 3.48Å; S262-N288 VanDerWaalsContact OG-ND2 3.1Å
263	Y	98.1	Very high	98	Very high	27 Å²	27	51.7 Å²	51.7	11%	0.106	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-54.7	-47.1	-169	179.8	-108.1	0	0	0	114	V238 P239 L242 V259 P260 D261 R265	V238-Y263 HydrophobicContact CB-CE1 4.15Å; V238-Y263 HydrophobicContact CB-CE2 4.27Å; V238-Y263 HydrophobicContact CG2-CD2 4.09Å; V238-Y263 HydrophobicContact CG2-CE1 4.11Å; V238-Y263 HydrophobicContact CG2-CE2 3.56Å; P239-Y263 WeakPolarHBondContact CD-OH 3.25Å; P239-Y263 VanDerWaalsContact O-CE2 3.25Å; P239-Y263 WeakPolarHBondContact O-CE2 3.17Å; P239-Y263 PolarHBondContact O-OH 3.16Å; L242-Y263 HydrophobicContact CD1-CE1 3.77Å; L242-Y263 WeakPolarHBondContact CD2-OH 3.46Å; L242-Y263 HydrophobicContact CG-CE1 4.22Å; L242-Y263 WeakPolarHBondContact CG-OH 3.48Å; V259-Y263 HydrophobicContact CG1-CD1 3.81Å; V259-Y263 HydrophobicContact CG1-CG 3.88Å; P260-Y263 HydrophobicContact CB-CD2 4.46Å; P260-Y263 HydrophobicContact CG-CD2 4.12Å; P260-Y263 WeakPolarHBondContact O-CB 3.47Å; D261-Y263 PolarHBondContact O-N 2.83Å; Y263-R265 VanDerWaalsContact C-N 3.27Å; Y263-R265 PolarHBondContact O-N 2.75Å
264	F	97.9	Very high	98	Very high	1 Å²	1	50.4 Å²	50.4	0%	0.004	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-77	-7.3	-177.5	-60.5	-65.7	0	0	0	114.4	L242 L249 S262 G266 A267 L270 V273 L275 T289 F290	L242-F264 HydrophobicContact CD1-CD1 4.15Å; L242-F264 HydrophobicContact CD1-CE1 4.44Å; L249-F264 HydrophobicContact CD2-CE1 4.22Å; S262-F264 PolarHBondContact O-N 3.17Å; F264-G266 PolarHBondContact O-N 3.08Å; F264-A267 PolarHBondContact O-N 2.99Å; F264-A267 VanDerWaalsContact O-N 3.08Å; F264-L270 HydrophobicContact CB-CD2 4.5Å; F264-L270 HydrophobicContact CD1-CD2 3.34Å; F264-L270 HydrophobicContact CE1-CD2 3.87Å; F264-L270 HydrophobicContact CG-CD2 4.21Å; F264-V273 HydrophobicContact CD1-CG2 4.5Å; F264-V273 HydrophobicContact CE1-CG1 4.26Å; F264-V273 HydrophobicContact CE1-CG2 4.06Å; F264-V273 HydrophobicContact CZ-CG1 4.03Å; F264-V273 HydrophobicContact CZ-CG2 4.47Å; F264-L275 HydrophobicContact CZ-CD1 4.34Å; F264-T289 VanDerWaalsContact CD2-O 3.24Å; F264-T289 WeakPolarHBondContact CD2-O 3.16Å; F264-T289 HydrophobicContact CE2-CG2 4.49Å; F264-F290 HydrophobicContact CD2-CD1 4.16Å; F264-F290 AromaticContact CE2-CD1 3.52Å; F264-F290 HydrophobicContact CE2-CD1 3.52Å; F264-F290 AromaticContact CE2-CE1 3.56Å; F264-F290 HydrophobicContact CE2-CE1 3.56Å; F264-F290 HydrophobicContact CZ-CD1 4.43Å; F264-F290 HydrophobicContact CZ-CE1 4.14Å
265	R	95.9	Very high	98	Very high	165 Å²	165	50.1 Å²	50.1	62%	0.623	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-63.6	-22.5	174.4	-66.2	-166.3	176.5	-158.2	-2.2	112.8	S262 Y263 A267	S262-R265 WeakPolarHBondContact O-CB 3.49Å; S262-R265 PolarHBondContact O-N 2.95Å; Y263-R265 VanDerWaalsContact C-N 3.27Å; Y263-R265 PolarHBondContact O-N 2.75Å; R265-A267 VanDerWaalsContact C-N 3.27Å; R265-A267 PolarHBondContact O-N 3.38Å
266	G	95.1	Very high	98	Very high	41 Å²	41	47 Å²	47	42%	0.423	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-72.4	-15.8	175.2	0	0	0	0	0	114.7	F264 P268	F264-G266 PolarHBondContact O-N 3.08Å; G266-P268 WeakPolarHBondContact O-CD 3.46Å
267	A	98.2	Very high	98	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.254	C	S	.	.			trans	-119.5	76.4	179.7	0	0	0	0	0	109.9	L242 F264 R265 K269 L270	L242-A267 HydrophobicContact CB-CB 4.07Å; L242-A267 HydrophobicContact CD1-CB 4.1Å; F264-A267 PolarHBondContact O-N 2.99Å; F264-A267 VanDerWaalsContact O-N 3.08Å; R265-A267 VanDerWaalsContact C-N 3.27Å; R265-A267 PolarHBondContact O-N 3.38Å; A267-K269 PolarHBondContact O-N 2.88Å; A267-L270 HydrophobicContact CB-CB 3.95Å; A267-L270 HydrophobicContact CB-CD2 4.31Å; A267-L270 VanDerWaalsContact O-CB 3.31Å; A267-L270 WeakPolarHBondContact O-CB 3.31Å; A267-L270 PolarHBondContact O-N 3.5Å; A267-L270 VanDerWaalsContact O-N 3.08Å
268	P	97.8	Very high	98	Very high	84 Å²	84	45.2 Å²	45.2	55%	0.545	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-8.9	-171	28.4	-37.2	0	0	0	114.6	G266 S294	G266-P268 WeakPolarHBondContact O-CD 3.46Å; P268-S294 VanDerWaalsContact O-CB 3.23Å; P268-S294 WeakPolarHBondContact O-CB 3.45Å
269	K	98.4	Very high	98	Very high	120 Å²	120	44.5 Å²	44.5	52%	0.522	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	2.9	177.3	-65.3	-168.5	174	-170.7	0	113.6	L246 E247 A267 L271	L246-K269 CarbonylContact O-C 3.57Å; L246-K269 VanDerWaalsContact O-C 3.22Å; E247-K269 HydrophobicContact CG-CB 4.37Å; A267-K269 PolarHBondContact O-N 2.88Å; K269-L271 WeakPolarHBondContact O-CG 3.38Å; K269-L271 PolarHBondContact O-N 2.93Å
270	L	98.8	Very high	98.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.			trans	-67.8	123.5	-173.6	-165.1	66.9	0	0	0	110.6	L242 L246 L249 F264 A267 V273 S294 L295	L242-L270 HydrophobicContact CD1-CD2 4.41Å; L246-L270 HydrophobicContact CB-CD1 4.26Å; L246-L270 HydrophobicContact CD2-CD1 3.97Å; L246-L270 HydrophobicContact CG-CD1 3.93Å; L246-L270 VanDerWaalsContact O-CA 3.23Å; L246-L270 WeakPolarHBondContact O-CA 3.4Å; L246-L270 PolarHBondContact O-N 2.84Å; L246-L270 VanDerWaalsContact O-N 3.13Å; L249-L270 HydrophobicContact CB-CD1 3.96Å; F264-L270 HydrophobicContact CB-CD2 4.5Å; F264-L270 HydrophobicContact CD1-CD2 3.34Å; F264-L270 HydrophobicContact CE1-CD2 3.87Å; F264-L270 HydrophobicContact CG-CD2 4.21Å; A267-L270 HydrophobicContact CB-CB 3.95Å; A267-L270 HydrophobicContact CB-CD2 4.31Å; A267-L270 VanDerWaalsContact O-CB 3.31Å; A267-L270 WeakPolarHBondContact O-CB 3.31Å; A267-L270 PolarHBondContact O-N 3.5Å; A267-L270 VanDerWaalsContact O-N 3.08Å; L270-V273 HydrophobicContact CD1-CG2 4.46Å; L270-V273 HydrophobicContact CD2-CG2 3.44Å; L270-V273 VanDerWaalsContact CD2-CG2 3.44Å; L270-V273 HydrophobicContact CG-CG2 3.83Å; L270-S294 CarbonylContact O-C 3.2Å; L270-S294 WeakPolarHBondContact O-CB 3.36Å; L270-S294 PolarHBondContact O-OG 3.32Å; L270-L295 HydrophobicContact CB-CD2 4.3Å; L270-L295 HydrophobicContact CD2-CD2 4.15Å; L270-L295 HydrophobicContact CG-CD2 3.97Å; L270-L295 WeakPolarHBondContact O-CA 3.24Å; L270-L295 PolarHBondContact O-N 2.91Å
271	L	98.8	Very high	98.1	Very high	47 Å²	47	43.6 Å²	43.6	25%	0.246	23%	0.225	C	C	.	.			trans	-108.5	-44.9	-175	-58.1	-177.4	0	0	0	111.9	E247 K269 S294 L296 E297	E247-L271 HydrophobicContact CB-CG 4.47Å; E247-L271 PolarHBondContact O-N 3.14Å; K269-L271 WeakPolarHBondContact O-CG 3.38Å; K269-L271 PolarHBondContact O-N 2.93Å; L271-S294 WeakPolarHBondContact CD2-O 3.34Å; L271-L296 HydrophobicContact CD2-CD1 4.21Å; L271-L296 HydrophobicContact CD2-CG 4.3Å; L271-L296 PolarHBondContact O-N 2.76Å; L271-E297 PolarHBondContact O-N 3.25Å; L271-E297 VanDerWaalsContact O-N 3.11Å
272	Y	98.9	Very high	98.2	Very high	82 Å²	82	41 Å²	41	32%	0.322	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123	-172.3	-51.9	-86.7	0	0	0	110.6	E247 Q248 L249 E297	E247-Y272 PolarHBondContact O-N 2.89Å; Q248-Y272 HydrophobicContact CG-CD2 3.74Å; Q248-Y272 HydrophobicContact CG-CG 4.42Å; L249-Y272 PolarHBondContact N-O 3.37Å; Y272-E297 HydrophobicContact CD1-CB 3.69Å; Y272-E297 HydrophobicContact CE1-CB 4.25Å
273	V	98.9	Very high	98.2	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	124.6	175.9	175.8	0	0	0	0	110.3	L249 F264 L270 L275 L295 E297 L298 D299	L249-V273 WeakPolarHBondContact O-CA 3.37Å; F264-V273 HydrophobicContact CD1-CG2 4.5Å; F264-V273 HydrophobicContact CE1-CG1 4.26Å; F264-V273 HydrophobicContact CE1-CG2 4.06Å; F264-V273 HydrophobicContact CZ-CG1 4.03Å; F264-V273 HydrophobicContact CZ-CG2 4.47Å; L270-V273 HydrophobicContact CD1-CG2 4.46Å; L270-V273 HydrophobicContact CD2-CG2 3.44Å; L270-V273 VanDerWaalsContact CD2-CG2 3.44Å; L270-V273 HydrophobicContact CG-CG2 3.83Å; V273-L275 HydrophobicContact CG1-CD1 4.02Å; V273-L275 HydrophobicContact CG1-CG 4.24Å; V273-L295 HydrophobicContact CB-CD2 4.34Å; V273-L295 HydrophobicContact CG2-CD2 3.52Å; V273-E297 PolarHBondContact N-O 3.26Å; V273-L298 HydrophobicContact CB-CD1 3.95Å; V273-L298 HydrophobicContact CG1-CD1 3.92Å; V273-L298 WeakPolarHBondContact O-CA 3.47Å; V273-D299 PolarHBondContact O-N 3.49Å
274	R	98.9	Very high	98.2	Very high	38 Å²	38	46.4 Å²	46.4	14%	0.143	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.4	172	-61.4	-178.5	-173.2	165.8	2.9	110.5	L249 Y250 M251 E252 D299	L249-R274 PolarHBondContact O-N 3.23Å; Y250-R274 HydrophobicContact CD1-CB 3.98Å; Y250-R274 HydrophobicContact CD1-CG 3.74Å; Y250-R274 HydrophobicContact CE1-CG 4.09Å; M251-R274 CarbonylContact C-O 3.55Å; M251-R274 PolarHBondContact N-O 3.41Å; E252-R274 HydrophobicContact CB-CB 4.48Å; E252-R274 PolarHBondContact N-O 2.82Å; E252-R274 IonicContact OE1-NH1 3.72Å; E252-R274 VanDerWaalsContact OE2-CB 3.29Å; E252-R274 WeakPolarHBondContact OE2-CB 3.4Å; R274-D299 HydrophobicContact CG-CB 4.32Å
275	L	98.8	Very high	98.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.248	C	C	.	.			trans	-135.8	18.5	-178.8	-93.6	169.7	0	0	0	110.6	M251 F264 V273 N278 L280 F290 D299 L300 N303	M251-L275 HydrophobicContact CB-CD2 3.98Å; M251-L275 HydrophobicContact CE-CD1 4.25Å; M251-L275 HydrophobicContact CE-CD2 3.78Å; M251-L275 HydrophobicContact CE-CG 4Å; F264-L275 HydrophobicContact CZ-CD1 4.34Å; V273-L275 HydrophobicContact CG1-CD1 4.02Å; V273-L275 HydrophobicContact CG1-CG 4.24Å; L275-N278 PolarHBondContact O-ND2 3.3Å; L275-N278 VanDerWaalsContact O-ND2 3.13Å; L275-L280 HydrophobicContact CB-CD1 4.27Å; L275-L280 HydrophobicContact CD1-CD1 4.38Å; L275-F290 HydrophobicContact CD1-CE1 4.02Å; L275-F290 HydrophobicContact CD1-CZ 4.27Å; L275-D299 CarbonylContact C-O 3.49Å; L275-D299 WeakPolarHBondContact CA-O 3.47Å; L275-D299 PolarHBondContact N-O 3.37Å; L275-L300 HydrophobicContact CB-CD2 3.66Å; L275-L300 HydrophobicContact CD1-CD2 4.23Å; L275-N303 PolarHBondContact O-ND2 3.31Å
276	S	98.8	Very high	98.3	Very high	7 Å²	7	41 Å²	41	5%	0.049	23%	0.229	C	C	.	.			trans	-65.1	159.6	177.1	47.1	0	0	0	0	112.2	E252 H253 N278 D299 S301	E252-S276 CarbonylContact C-O 3.27Å; E252-S276 WeakPolarHBondContact CA-O 3.36Å; E252-S276 WeakPolarHBondContact CB-O 3.49Å; E252-S276 WeakPolarHBondContact CB-OG 3.32Å; H253-S276 PolarHBondContact N-O 2.77Å; S276-N278 VanDerWaalsContact C-N 3.33Å; S276-N278 PolarHBondContact O-N 3.4Å; S276-N278 PolarHBondContact O-ND2 3.09Å; S276-N278 VanDerWaalsContact O-ND2 3.1Å; S276-D299 VanDerWaalsContact CB-OD2 3.3Å; S276-D299 WeakPolarHBondContact CB-OD2 3.29Å; S276-D299 PolarHBondContact N-O 3.49Å; S276-D299 PolarHBondContact OG-OD2 2.78Å; S276-S301 CarbonylContact C-O 3.44Å; S276-S301 WeakPolarHBondContact CA-O 3.46Å; S276-S301 WeakPolarHBondContact CB-O 3.39Å; S276-S301 WeakPolarHBondContact CB-OG 3.48Å
277	H	98.8	Very high	98.3	Very high	73 Å²	73	43.6 Å²	43.6	34%	0.338	24%	0.241	S	C	.	.	S	Bend	trans	52.1	49.1	-178.1	-64.9	-85.3	0	0	0	113.3	H253 N254 S301 Y302	H253-H277 WeakPolarHBondContact CA-O 3.33Å; H253-H277 HydrophobicContact CB-CB 4.49Å; H253-H277 AromaticContact CE1-CD2 3.52Å; H253-H277 AromaticContact CE1-CG 3.38Å; H253-H277 AromaticContact CE1-ND1 3.77Å; H253-H277 AromaticContact CE1-NE2 3.99Å; H253-H277 PolarHBondContact N-O 3.05Å; H253-H277 AromaticContact ND1-CG 3.8Å; H253-H277 AromaticContact NE2-CD2 3.36Å; H253-H277 PolarHBondContact NE2-CD2 3.12Å; H253-H277 AromaticContact NE2-CG 3.66Å; H253-H277 AromaticContact NE2-NE2 3.99Å; N254-H277 PolarHBondContact N-O 2.7Å; H277-S301 PolarHBondContact N-O 3.23Å; H277-Y302 WeakPolarHBondContact CA-O 3.21Å; H277-Y302 AromaticContact CE1-CD2 3.58Å; H277-Y302 AromaticContact CE1-CG 3.42Å; H277-Y302 VanDerWaalsContact CE1-CG 3.42Å; H277-Y302 AromaticContact ND1-CG 3.97Å; H277-Y302 AromaticContact NE2-CD2 3.38Å; H277-Y302 WeakPolarHBondContact NE2-CD2 3.46Å; H277-Y302 AromaticContact NE2-CG 3.7Å
278	N	98.8	Very high	98.3	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.027	25%	0.249	C	C	.	.	S	Bend	trans	-119.7	-168.3	173	-87.4	-83	0	0	0	110.1	M251 N254 N255 V256 L275 S276 L280 N303 Q304	M251-N278 PolarHBondContact O-ND2 3.21Å; N254-N278 WeakPolarHBondContact CA-OD1 3.15Å; N254-N278 WeakPolarHBondContact CB-OD1 3.46Å; N254-N278 PolarHBondContact O-OD1 2.74Å; N255-N278 PolarHBondContact N-OD1 3.4Å; V256-N278 HydrophobicContact CB-CB 4.42Å; V256-N278 VanDerWaalsContact CB-OD1 3.23Å; V256-N278 WeakPolarHBondContact CB-OD1 3.35Å; V256-N278 WeakPolarHBondContact CG2-OD1 3.36Å; V256-N278 PolarHBondContact N-OD1 3.26Å; L275-N278 PolarHBondContact O-ND2 3.3Å; L275-N278 VanDerWaalsContact O-ND2 3.13Å; S276-N278 VanDerWaalsContact C-N 3.33Å; S276-N278 PolarHBondContact O-N 3.4Å; S276-N278 PolarHBondContact O-ND2 3.09Å; S276-N278 VanDerWaalsContact O-ND2 3.1Å; N278-L280 HydrophobicContact CB-CG 4.28Å; N278-N303 WeakPolarHBondContact CA-OD1 3.19Å; N278-N303 WeakPolarHBondContact CB-OD1 3.06Å; N278-N303 PolarHBondContact N-OD1 3.03Å; N278-N303 PolarHBondContact O-OD1 3.33Å; N278-Q304 PolarHBondContact O-NE2 3.43Å
279	S	98.6	Very high	98.3	Very high	46 Å²	46	41.3 Å²	41.3	32%	0.322	22%	0.224	S	C	.	.			trans	-111.4	30.4	-179.5	-55.9	0	0	0	0	113.1	V256 Y257 N303	V256-S279 CarbonylContact O-C 3.54Å; V256-S279 VanDerWaalsContact O-C 3.31Å; V256-S279 WeakPolarHBondContact O-CA 3.39Å; V256-S279 PolarHBondContact O-N 3.18Å; Y257-S279 WeakPolarHBondContact CA-O 3.42Å; S279-N303 PolarHBondContact N-OD1 3.36Å
280	L	98.6	Very high	98.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.2	C	C	.	.			trans	-70.8	136.7	-174.9	-59.8	175.6	0	0	0	111.5	V256 V259 L275 N278 L285 L300 N303 Q304 L305	V256-L280 HydrophobicContact CG1-CD2 3.94Å; V256-L280 PolarHBondContact O-N 3.4Å; V259-L280 HydrophobicContact CG2-CD2 3.95Å; L275-L280 HydrophobicContact CB-CD1 4.27Å; L275-L280 HydrophobicContact CD1-CD1 4.38Å; N278-L280 HydrophobicContact CB-CG 4.28Å; L280-L285 HydrophobicContact CD2-CD2 4.38Å; L280-L300 HydrophobicContact CD1-CD2 3.87Å; L280-N303 HydrophobicContact CB-CB 4.08Å; L280-N303 VanDerWaalsContact CB-OD1 3.25Å; L280-N303 WeakPolarHBondContact CB-OD1 3.16Å; L280-N303 VanDerWaalsContact CG-OD1 3.3Å; L280-N303 WeakPolarHBondContact CG-OD1 3.39Å; L280-N303 PolarHBondContact N-OD1 3.31Å; L280-Q304 CarbonylContact O-C 3.52Å; L280-Q304 VanDerWaalsContact O-C 3.25Å; L280-Q304 WeakPolarHBondContact O-CA 3.36Å; L280-Q304 PolarHBondContact O-N 3.29Å; L280-L305 HydrophobicContact CB-CD2 4.23Å; L280-L305 PolarHBondContact O-N 3.05Å
281	T	98.6	Very high	98.2	Very high	49 Å²	49	38.5 Å²	38.5	30%	0.301	22%	0.215	S	C	.	.			trans	-130.1	156.8	171.8	66.1	0	0	0	0	109.2	N283 G284 L285 Q304	T281-N283 PolarHBondContact O-N 2.97Å; T281-N283 VanDerWaalsContact O-N 3.16Å; T281-G284 PolarHBondContact O-N 3.27Å; T281-L285 WeakPolarHBondContact O-CG 3.43Å; T281-Q304 HydrophobicContact CG2-CB 4.1Å
282	N	98.2	Very high	98.1	Very high	40 Å²	40	36.8 Å²	36.8	21%	0.214	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-59.5	-28.3	178.2	-62.5	92.2	0	0	0	113.4	G284 L285 Q306 K307	N282-G284 VanDerWaalsContact C-N 3.27Å; N282-G284 PolarHBondContact O-N 3.45Å; N282-L285 PolarHBondContact O-N 2.99Å; N282-L285 VanDerWaalsContact O-O 3.08Å; N282-Q306 PolarHBondContact OD1-N 2.92Å; N282-K307 PolarHBondContact ND2-O 2.99Å; N282-K307 PolarHBondContact OD1-N 3.45Å
283	N	97.9	Very high	98.1	Very high	165 Å²	165	36.7 Å²	36.7	88%	0.882	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-70.3	-24.4	176.7	-68.7	-11.5	0	0	0	112.9	T281 L285	T281-N283 PolarHBondContact O-N 2.97Å; T281-N283 VanDerWaalsContact O-N 3.16Å; N283-L285 VanDerWaalsContact C-N 3.28Å
284	G	97.4	Very high	98.1	Very high	11 Å²	11	37.4 Å²	37.4	11%	0.113	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-87.6	7.8	175.3	0	0	0	0	0	113.7	T258 V259 T281 N282	T258-G284 VanDerWaalsContact CA-O 3.27Å; T258-G284 WeakPolarHBondContact CA-O 3.27Å; T258-G284 WeakPolarHBondContact CG2-O 3.45Å; V259-G284 PolarHBondContact N-O 3.21Å; T281-G284 PolarHBondContact O-N 3.27Å; N282-G284 VanDerWaalsContact C-N 3.27Å; N282-G284 PolarHBondContact O-N 3.45Å
285	L	98.1	Very high	98	Very high	24 Å²	24	35.7 Å²	35.7	13%	0.126	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-128.5	139.9	-175.5	-59.8	171.9	0	0	0	109.7	V259 L280 T281 N282 N283 T289 F290 L305	V259-L285 HydrophobicContact CB-CD2 3.77Å; V259-L285 HydrophobicContact CG2-CD2 3.89Å; L280-L285 HydrophobicContact CD2-CD2 4.38Å; T281-L285 WeakPolarHBondContact O-CG 3.43Å; N282-L285 PolarHBondContact O-N 2.99Å; N282-L285 VanDerWaalsContact O-O 3.08Å; N283-L285 VanDerWaalsContact C-N 3.28Å; L285-T289 HydrophobicContact CD2-CG2 4.13Å; L285-F290 HydrophobicContact CD1-CE2 3.82Å; L285-F290 HydrophobicContact CD2-CE2 3.86Å; L285-F290 HydrophobicContact CD2-CZ 4.2Å; L285-F290 HydrophobicContact CG-CE2 4.42Å; L285-L305 HydrophobicContact CD1-CD2 3.62Å
286	A	97.6	Very high	98	Very high	29 Å²	29	38 Å²	38	24%	0.24	23%	0.229	C	C	.	.			trans	-81.2	159.7	167.1	0	0	0	0	0	110.3	D261 N288 T289	D261-A286 HydrophobicContact CB-CB 3.87Å; D261-A286 WeakPolarHBondContact OD1-CB 3.29Å; A286-N288 PolarHBondContact O-N 3.41Å; A286-N288 VanDerWaalsContact O-N 3.16Å; A286-T289 WeakPolarHBondContact CB-OG1 3.36Å; A286-T289 PolarHBondContact N-OG1 3.39Å; A286-T289 WeakPolarHBondContact O-CB 3.3Å; A286-T289 PolarHBondContact O-N 2.98Å; A286-T289 PolarHBondContact O-OG1 3.48Å
287	S	96.2	Very high	98	Very high	94 Å²	94	39.6 Å²	39.6	66%	0.657	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-22.5	179.1	56.6	0	0	0	0	113.6	P310	S287-P310 WeakPolarHBondContact O-CB 3.44Å; S287-P310 WeakPolarHBondContact O-CG 3.25Å
288	N	96.8	Very high	98	Very high	34 Å²	34	36.1 Å²	36.1	18%	0.182	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	4.8	-179.3	66.4	12.4	0	0	0	113.4	D261 S262 A286 F290 N291	D261-N288 VanDerWaalsContact CG-ND2 3.27Å; D261-N288 PolarHBondContact OD1-ND2 3.41Å; D261-N288 PolarHBondContact OD1-OD1 2.91Å; D261-N288 PolarHBondContact OD2-ND2 2.92Å; D261-N288 PolarHBondContact OD2-OD1 3.37Å; S262-N288 PolarHBondContact N-OD1 3.1Å; S262-N288 PolarHBondContact OG-ND2 3.48Å; S262-N288 VanDerWaalsContact OG-ND2 3.1Å; A286-N288 PolarHBondContact O-N 3.41Å; A286-N288 VanDerWaalsContact O-N 3.16Å; N288-F290 PolarHBondContact O-N 2.87Å; N288-N291 PolarHBondContact O-N 2.89Å
289	T	98.1	Very high	98	Very high	2 Å²	2	37 Å²	37	1%	0.012	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-50.1	-173.4	-70.6	0	0	0	0	111.5	V259 P260 F264 L285 A286	V259-T289 HydrophobicContact CB-CG2 3.74Å; V259-T289 HydrophobicContact CG1-CG2 3.46Å; V259-T289 VanDerWaalsContact CG1-CG2 3.46Å; P260-T289 PolarHBondContact O-OG1 3.01Å; F264-T289 VanDerWaalsContact CD2-O 3.24Å; F264-T289 WeakPolarHBondContact CD2-O 3.16Å; F264-T289 HydrophobicContact CE2-CG2 4.49Å; L285-T289 HydrophobicContact CD2-CG2 4.13Å; A286-T289 WeakPolarHBondContact CB-OG1 3.36Å; A286-T289 PolarHBondContact N-OG1 3.39Å; A286-T289 WeakPolarHBondContact O-CB 3.3Å; A286-T289 PolarHBondContact O-N 2.98Å; A286-T289 PolarHBondContact O-OG1 3.48Å
290	F	98.1	Very high	98.1	Very high	5 Å²	5	34.8 Å²	34.8	2%	0.022	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	7.2	-179.3	-60.5	-71.9	0	0	0	113.7	F264 L275 L285 N288 S292 L298 L300 P309	F264-F290 HydrophobicContact CD2-CD1 4.16Å; F264-F290 AromaticContact CE2-CD1 3.52Å; F264-F290 HydrophobicContact CE2-CD1 3.52Å; F264-F290 AromaticContact CE2-CE1 3.56Å; F264-F290 HydrophobicContact CE2-CE1 3.56Å; F264-F290 HydrophobicContact CZ-CD1 4.43Å; F264-F290 HydrophobicContact CZ-CE1 4.14Å; L275-F290 HydrophobicContact CD1-CE1 4.02Å; L275-F290 HydrophobicContact CD1-CZ 4.27Å; L285-F290 HydrophobicContact CD1-CE2 3.82Å; L285-F290 HydrophobicContact CD2-CE2 3.86Å; L285-F290 HydrophobicContact CD2-CZ 4.2Å; L285-F290 HydrophobicContact CG-CE2 4.42Å; N288-F290 PolarHBondContact O-N 2.87Å; F290-S292 PolarHBondContact O-N 3.47Å; F290-L298 HydrophobicContact CB-CD2 3.91Å; F290-L298 HydrophobicContact CD1-CD1 3.89Å; F290-L298 HydrophobicContact CD1-CD2 3.66Å; F290-L298 HydrophobicContact CD1-CG 4.44Å; F290-L298 HydrophobicContact CE1-CD1 3.97Å; F290-L298 HydrophobicContact CE1-CD2 4.36Å; F290-L298 HydrophobicContact CG-CD2 3.86Å; F290-L300 HydrophobicContact CD2-CD1 4.15Å; F290-L300 HydrophobicContact CE1-CD1 4.24Å; F290-L300 HydrophobicContact CE1-CD2 3.91Å; F290-L300 HydrophobicContact CE2-CD1 3.8Å; F290-L300 HydrophobicContact CE2-CD2 4.3Å; F290-L300 HydrophobicContact CZ-CD1 3.86Å; F290-L300 HydrophobicContact CZ-CD2 3.58Å; F290-L300 HydrophobicContact CZ-CG 4.36Å; F290-P309 HydrophobicContact CD2-CB 3.93Å; F290-P309 HydrophobicContact CD2-CG 4.19Å; F290-P309 HydrophobicContact CE2-CB 4.43Å
291	N	97.1	Very high	98.1	Very high	57 Å²	57	35 Å²	35	31%	0.305	21%	0.21	S	C	.	.			trans	-83	71.5	176.2	-169.9	-3.3	0	0	0	110.3	N288 N312	N288-N291 PolarHBondContact O-N 2.89Å; N291-N312 WeakPolarHBondContact OD1-CB 3.34Å; N291-N312 PolarHBondContact OD1-ND2 3.25Å
292	S	97.6	Very high	98.1	Very high	10 Å²	10	38.5 Å²	38.5	7%	0.07	22%	0.218	C	C	.	.			trans	-112.3	132.9	174.6	-176.1	0	0	0	0	110.7	F290 S294 N312	F290-S292 PolarHBondContact O-N 3.47Å; S292-S294 VanDerWaalsContact C-N 3.27Å; S292-S294 PolarHBondContact O-N 3.13Å; S292-S294 PolarHBondContact OG-OG 3.32Å; S292-N312 WeakPolarHBondContact O-CB 3.02Å
293	S	97.7	Very high	98.1	Very high	80 Å²	80	36.8 Å²	36.8	56%	0.559	21%	0.209	S	C	*	.	S	Bend	trans	-75.6	-12.6	-178.1	57.6	0	0	0	0	114.5	N314	S293-N314 PolarHBondContact O-ND2 3.1Å
294	S	98.3	Very high	98.1	Very high	17 Å²	17	32.6 Å²	32.6	12%	0.119	19%	0.185	C	C	.	.	S	Bend	trans	-91	-25.3	-176.8	63.7	0	0	0	0	113.7	P268 L270 L271 S292	P268-S294 VanDerWaalsContact O-CB 3.23Å; P268-S294 WeakPolarHBondContact O-CB 3.45Å; L270-S294 CarbonylContact O-C 3.2Å; L270-S294 WeakPolarHBondContact O-CB 3.36Å; L270-S294 PolarHBondContact O-OG 3.32Å; L271-S294 WeakPolarHBondContact CD2-O 3.34Å; S292-S294 VanDerWaalsContact C-N 3.27Å; S292-S294 PolarHBondContact O-N 3.13Å; S292-S294 PolarHBondContact OG-OG 3.32Å
295	L	98.6	Very high	98.2	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	18%	0.179	C	C	.	.			trans	-67.1	136	-173.2	-70.1	174.3	0	0	0	111.2	L270 V273 L315	L270-L295 HydrophobicContact CB-CD2 4.3Å; L270-L295 HydrophobicContact CD2-CD2 4.15Å; L270-L295 HydrophobicContact CG-CD2 3.97Å; L270-L295 WeakPolarHBondContact O-CA 3.24Å; L270-L295 PolarHBondContact O-N 2.91Å; V273-L295 HydrophobicContact CB-CD2 4.34Å; V273-L295 HydrophobicContact CG2-CD2 3.52Å; L295-L315 HydrophobicContact CB-CD1 3.78Å
296	L	98.7	Very high	98.2	Very high	49 Å²	49	36.2 Å²	36.2	26%	0.257	20%	0.198	S	C	.	.	S	Bend	trans	-109.6	-38.7	173.5	-60.9	-179.3	0	0	0	111.2	L271 E316 N317	L271-L296 HydrophobicContact CD2-CD1 4.21Å; L271-L296 HydrophobicContact CD2-CG 4.3Å; L271-L296 PolarHBondContact O-N 2.76Å; L296-E316 HydrophobicContact CD2-CG 4.25Å; L296-E316 PolarHBondContact O-N 2.93Å; L296-N317 PolarHBondContact O-N 2.8Å
297	E	98.8	Very high	98.2	Very high	40 Å²	40	40.5 Å²	40.5	19%	0.187	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.5	-178.6	-172.7	178.3	137.5	0	0	111.2	L271 Y272 V273 N317 Y319	L271-E297 PolarHBondContact O-N 3.25Å; L271-E297 VanDerWaalsContact O-N 3.11Å; Y272-E297 HydrophobicContact CD1-CB 3.69Å; Y272-E297 HydrophobicContact CE1-CB 4.25Å; V273-E297 PolarHBondContact N-O 3.26Å; E297-N317 WeakPolarHBondContact CA-O 3.34Å; E297-N317 HydrophobicContact CB-CB 4.38Å; E297-N317 HydrophobicContact CG-CB 4.06Å; E297-Y319 HydrophobicContact CG-CD2 4.49Å; E297-Y319 HydrophobicContact CG-CE2 3.91Å
298	L	98.9	Very high	98.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	114.9	178.3	178	59.7	0	0	0	110.2	V273 F290 L300 V311 L315 N317 L318 Y319	V273-L298 HydrophobicContact CB-CD1 3.95Å; V273-L298 HydrophobicContact CG1-CD1 3.92Å; V273-L298 WeakPolarHBondContact O-CA 3.47Å; F290-L298 HydrophobicContact CB-CD2 3.91Å; F290-L298 HydrophobicContact CD1-CD1 3.89Å; F290-L298 HydrophobicContact CD1-CD2 3.66Å; F290-L298 HydrophobicContact CD1-CG 4.44Å; F290-L298 HydrophobicContact CE1-CD1 3.97Å; F290-L298 HydrophobicContact CE1-CD2 4.36Å; F290-L298 HydrophobicContact CG-CD2 3.86Å; L298-L300 HydrophobicContact CD1-CD1 4.33Å; L298-L300 HydrophobicContact CD1-CD2 4.16Å; L298-L300 HydrophobicContact CD1-CG 3.97Å; L298-L300 HydrophobicContact CD2-CD1 3.86Å; L298-L300 HydrophobicContact CD2-CG 4.33Å; L298-L300 HydrophobicContact CG-CD1 4.02Å; L298-L300 HydrophobicContact CG-CG 3.92Å; L298-V311 HydrophobicContact CD2-CG1 4.37Å; L298-L315 HydrophobicContact CB-CD1 3.99Å; L298-L315 HydrophobicContact CB-CD2 4.16Å; L298-L315 HydrophobicContact CD2-CD2 4.49Å; L298-N317 PolarHBondContact N-O 3.32Å; L298-L318 HydrophobicContact CB-CD1 4.09Å; L298-L318 HydrophobicContact CD2-CD1 3.97Å; L298-L318 HydrophobicContact CG-CD1 4.04Å; L298-Y319 PolarHBondContact O-N 3.17Å
299	D	98.9	Very high	98.4	Very high	23 Å²	23	34.9 Å²	34.9	12%	0.123	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	114.3	173	-174.7	10.6	0	0	0	111.5	V273 R274 L275 S276 S301 Y319	V273-D299 PolarHBondContact O-N 3.49Å; R274-D299 HydrophobicContact CG-CB 4.32Å; L275-D299 CarbonylContact C-O 3.49Å; L275-D299 WeakPolarHBondContact CA-O 3.47Å; L275-D299 PolarHBondContact N-O 3.37Å; S276-D299 VanDerWaalsContact CB-OD2 3.3Å; S276-D299 WeakPolarHBondContact CB-OD2 3.29Å; S276-D299 PolarHBondContact N-O 3.49Å; S276-D299 PolarHBondContact OG-OD2 2.78Å; D299-S301 WeakPolarHBondContact OD1-CB 3.48Å; D299-S301 PolarHBondContact OD1-N 2.93Å; D299-S301 PolarHBondContact OD1-OG 3.49Å; D299-Y319 HydrophobicContact CB-CD2 4.07Å; D299-Y319 WeakPolarHBondContact OD1-CB 3.12Å
300	L	98.9	Very high	98.4	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.			trans	-123.3	17.7	176.4	-64.8	174.8	0	0	0	111.4	L275 L280 F290 L298 N303 L305 P309 Y319 L320 N323	L275-L300 HydrophobicContact CB-CD2 3.66Å; L275-L300 HydrophobicContact CD1-CD2 4.23Å; L280-L300 HydrophobicContact CD1-CD2 3.87Å; F290-L300 HydrophobicContact CD2-CD1 4.15Å; F290-L300 HydrophobicContact CE1-CD1 4.24Å; F290-L300 HydrophobicContact CE1-CD2 3.91Å; F290-L300 HydrophobicContact CE2-CD1 3.8Å; F290-L300 HydrophobicContact CE2-CD2 4.3Å; F290-L300 HydrophobicContact CZ-CD1 3.86Å; F290-L300 HydrophobicContact CZ-CD2 3.58Å; F290-L300 HydrophobicContact CZ-CG 4.36Å; L298-L300 HydrophobicContact CD1-CD1 4.33Å; L298-L300 HydrophobicContact CD1-CD2 4.16Å; L298-L300 HydrophobicContact CD1-CG 3.97Å; L298-L300 HydrophobicContact CD2-CD1 3.86Å; L298-L300 HydrophobicContact CD2-CG 4.33Å; L298-L300 HydrophobicContact CG-CD1 4.02Å; L298-L300 HydrophobicContact CG-CG 3.92Å; L300-N303 PolarHBondContact O-ND2 3.02Å; L300-L305 HydrophobicContact CB-CD1 4.13Å; L300-L305 HydrophobicContact CD1-CD1 4.31Å; L300-P309 HydrophobicContact CD1-CG 3.87Å; L300-Y319 CarbonylContact C-O 3.49Å; L300-Y319 WeakPolarHBondContact CA-O 3.47Å; L300-Y319 PolarHBondContact N-O 2.84Å; L300-L320 HydrophobicContact CB-CD2 3.76Å; L300-L320 HydrophobicContact CD1-CD2 4.19Å; L300-N323 PolarHBondContact O-ND2 3.21Å
301	S	98.8	Very high	98.4	Very high	5 Å²	5	37.3 Å²	37.3	4%	0.035	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	153.8	179.7	62.7	0	0	0	0	112.5	S276 H277 D299 N303 Y319 Q321	S276-S301 CarbonylContact C-O 3.44Å; S276-S301 WeakPolarHBondContact CA-O 3.46Å; S276-S301 WeakPolarHBondContact CB-O 3.39Å; S276-S301 WeakPolarHBondContact CB-OG 3.48Å; H277-S301 PolarHBondContact N-O 3.23Å; D299-S301 WeakPolarHBondContact OD1-CB 3.48Å; D299-S301 PolarHBondContact OD1-N 2.93Å; D299-S301 PolarHBondContact OD1-OG 3.49Å; S301-N303 VanDerWaalsContact C-N 3.3Å; S301-N303 PolarHBondContact O-N 3.03Å; S301-N303 PolarHBondContact O-ND2 2.88Å; S301-Y319 PolarHBondContact N-O 3.27Å; S301-Q321 CarbonylContact C-O 3.07Å; S301-Q321 WeakPolarHBondContact CA-O 3.34Å; S301-Q321 VanDerWaalsContact CB-NE2 3.35Å; S301-Q321 VanDerWaalsContact CB-O 3.28Å; S301-Q321 WeakPolarHBondContact CB-O 3.5Å
302	Y	98.8	Very high	98.5	Very high	121 Å²	121	36 Å²	36	48%	0.475	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	43.4	178.9	-63.2	-82	0	0	0	114.5	H277 Q321 G322	H277-Y302 WeakPolarHBondContact CA-O 3.21Å; H277-Y302 AromaticContact CE1-CD2 3.58Å; H277-Y302 AromaticContact CE1-CG 3.42Å; H277-Y302 VanDerWaalsContact CE1-CG 3.42Å; H277-Y302 AromaticContact ND1-CG 3.97Å; H277-Y302 AromaticContact NE2-CD2 3.38Å; H277-Y302 WeakPolarHBondContact NE2-CD2 3.46Å; H277-Y302 AromaticContact NE2-CG 3.7Å; Y302-Q321 HydrophobicContact CE2-CG 4.36Å; Y302-Q321 PolarHBondContact N-O 3.32Å; Y302-G322 WeakPolarHBondContact CA-O 3.3Å
303	N	98.8	Very high	98.5	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	20%	0.195	C	C	.	.	S	Bend	trans	-105.8	-162.1	165.7	-81.8	-82	0	0	0	109.8	L275 N278 S279 L280 L300 S301 L305 N323	L275-N303 PolarHBondContact O-ND2 3.31Å; N278-N303 WeakPolarHBondContact CA-OD1 3.19Å; N278-N303 WeakPolarHBondContact CB-OD1 3.06Å; N278-N303 PolarHBondContact N-OD1 3.03Å; N278-N303 PolarHBondContact O-OD1 3.33Å; S279-N303 PolarHBondContact N-OD1 3.36Å; L280-N303 HydrophobicContact CB-CB 4.08Å; L280-N303 VanDerWaalsContact CB-OD1 3.25Å; L280-N303 WeakPolarHBondContact CB-OD1 3.16Å; L280-N303 VanDerWaalsContact CG-OD1 3.3Å; L280-N303 WeakPolarHBondContact CG-OD1 3.39Å; L280-N303 PolarHBondContact N-OD1 3.31Å; L300-N303 PolarHBondContact O-ND2 3.02Å; S301-N303 VanDerWaalsContact C-N 3.3Å; S301-N303 PolarHBondContact O-N 3.03Å; S301-N303 PolarHBondContact O-ND2 2.88Å; N303-L305 HydrophobicContact CB-CG 4.19Å; N303-N323 VanDerWaalsContact CA-OD1 3.27Å; N303-N323 WeakPolarHBondContact CA-OD1 3.31Å; N303-N323 WeakPolarHBondContact CB-OD1 3.16Å; N303-N323 PolarHBondContact N-OD1 3.37Å; N303-N323 PolarHBondContact O-OD1 2.94Å
304	Q	98.6	Very high	98.5	Very high	78 Å²	78	36.6 Å²	36.6	36%	0.364	18%	0.181	S	C	.	.			trans	-120.8	38	176.2	-61.8	82.8	56.2	0	0	111.4	N278 L280 T281 N323	N278-Q304 PolarHBondContact O-NE2 3.43Å; L280-Q304 CarbonylContact O-C 3.52Å; L280-Q304 VanDerWaalsContact O-C 3.25Å; L280-Q304 WeakPolarHBondContact O-CA 3.36Å; L280-Q304 PolarHBondContact O-N 3.29Å; T281-Q304 HydrophobicContact CG2-CB 4.1Å; Q304-N323 PolarHBondContact N-OD1 3.18Å
305	L	98.7	Very high	98.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.			trans	-69.3	134.2	176.2	-57.2	173.2	0	0	0	110.1	L280 L285 L300 N303 P309 L320 N323 R324 I325	L280-L305 HydrophobicContact CB-CD2 4.23Å; L280-L305 PolarHBondContact O-N 3.05Å; L285-L305 HydrophobicContact CD1-CD2 3.62Å; L300-L305 HydrophobicContact CB-CD1 4.13Å; L300-L305 HydrophobicContact CD1-CD1 4.31Å; N303-L305 HydrophobicContact CB-CG 4.19Å; L305-P309 HydrophobicContact CD1-CG 4.42Å; L305-L320 HydrophobicContact CD1-CD2 3.62Å; L305-N323 HydrophobicContact CB-CB 4.23Å; L305-N323 VanDerWaalsContact CB-OD1 3.31Å; L305-N323 WeakPolarHBondContact CB-OD1 3.27Å; L305-N323 WeakPolarHBondContact CG-OD1 3.44Å; L305-N323 PolarHBondContact N-OD1 2.93Å; L305-R324 CarbonylContact O-C 3.29Å; L305-R324 VanDerWaalsContact O-CA 3.25Å; L305-R324 WeakPolarHBondContact O-CA 3.4Å; L305-R324 PolarHBondContact O-N 3.03Å; L305-I325 HydrophobicContact CB-CG1 4.38Å; L305-I325 PolarHBondContact O-N 3.27Å; L305-I325 VanDerWaalsContact O-N 3.11Å
306	Q	98.3	Very high	98.5	Very high	110 Å²	110	38.9 Å²	38.9	51%	0.514	19%	0.19	S	C	.	.	S	Bend	trans	-102.1	-17	175.7	-64.8	178.3	25.7	0	0	112.9	N282 R324 I325 N326	N282-Q306 PolarHBondContact OD1-N 2.92Å; Q306-R324 WeakPolarHBondContact CA-O 3.48Å; Q306-R324 HydrophobicContact CG-CB 4.38Å; Q306-I325 WeakPolarHBondContact O-CA 3.41Å; Q306-N326 PolarHBondContact O-N 3.16Å; Q306-N326 PolarHBondContact O-OD1 3.25Å
307	K	98.2	Very high	98.5	Very high	119 Å²	119	37.9 Å²	37.9	52%	0.517	19%	0.185	S	C	.	.	S	Bend	trans	-134.9	150.7	176.4	-57.1	-175.3	178.4	-170.3	0	110.2	N282 P309	N282-K307 PolarHBondContact ND2-O 2.99Å; N282-K307 PolarHBondContact OD1-N 3.45Å; K307-P309 WeakPolarHBondContact O-CD 3.4Å
308	I	98.4	Very high	98.5	Very high	4 Å²	4	36 Å²	36	2%	0.021	18%	0.176	C	C	.	.			trans	-62.9	115.3	170.8	-56.4	175.1	0	0	0	108.4	L320 I325 F328 S332 F333 L350	I308-L320 HydrophobicContact CB-CD1 4.5Å; I308-L320 HydrophobicContact CG1-CD1 4.38Å; I308-L320 HydrophobicContact CG2-CD1 3.93Å; I308-I325 HydrophobicContact CG1-CD1 4.2Å; I308-I325 HydrophobicContact CG1-CG2 4.11Å; I308-F328 HydrophobicContact CD1-CD2 4.28Å; I308-F328 HydrophobicContact CD1-CG 4.47Å; I308-S332 WeakPolarHBondContact O-CB 3.21Å; I308-S332 PolarHBondContact O-OG 3.4Å; I308-F333 HydrophobicContact CD1-CE2 4.07Å; I308-F333 HydrophobicContact CD1-CZ 4.09Å; I308-F333 HydrophobicContact CG2-CE1 4.32Å; I308-F333 HydrophobicContact CG2-CE2 4.33Å; I308-F333 HydrophobicContact CG2-CZ 3.85Å; I308-L350 HydrophobicContact CD1-CD1 4.12Å; I308-L350 HydrophobicContact CD1-CD2 4.28Å; I308-L350 HydrophobicContact CG1-CD2 4.22Å
309	P	98.3	Very high	98.5	Very high	6 Å²	6	38.5 Å²	38.5	4%	0.039	19%	0.186	C	C	.	.			trans	-66.1	144.4	177.3	27.7	-32.9	0	0	0	110.5	F290 L300 L305 K307 V311	F290-P309 HydrophobicContact CD2-CB 3.93Å; F290-P309 HydrophobicContact CD2-CG 4.19Å; F290-P309 HydrophobicContact CE2-CB 4.43Å; L300-P309 HydrophobicContact CD1-CG 3.87Å; L305-P309 HydrophobicContact CD1-CG 4.42Å; K307-P309 WeakPolarHBondContact O-CD 3.4Å; P309-V311 PolarHBondContact O-N 2.87Å
310	P	98.2	Very high	98.5	Very high	48 Å²	48	37.4 Å²	37.4	31%	0.312	18%	0.18	S	C	.	.			trans	-63.1	136.8	178.3	-22.4	33.6	0	0	0	112.5	S287 S332	S287-P310 WeakPolarHBondContact O-CB 3.44Å; S287-P310 WeakPolarHBondContact O-CG 3.25Å; P310-S332 WeakPolarHBondContact CA-O 3.36Å
311	V	98.4	Very high	98.5	Very high	10 Å²	10	38.3 Å²	38.3	6%	0.061	18%	0.184	C	C	.	.			trans	-123.5	163.1	-180	-64.1	0	0	0	0	111.1	L298 P309 L315 L318 S332 F333	L298-V311 HydrophobicContact CD2-CG1 4.37Å; P309-V311 PolarHBondContact O-N 2.87Å; V311-L315 HydrophobicContact CB-CD2 3.95Å; V311-L315 HydrophobicContact CG1-CD2 3.82Å; V311-L315 HydrophobicContact CG2-CD2 4.26Å; V311-L318 HydrophobicContact CG1-CD2 4.26Å; V311-S332 PolarHBondContact N-O 3.31Å; V311-F333 HydrophobicContact CG2-CD1 3.81Å; V311-F333 HydrophobicContact CG2-CE1 4.38Å
312	N	98.2	Very high	98.5	Very high	31 Å²	31	39.2 Å²	39.2	17%	0.166	20%	0.195	C	C	.	.			trans	-77.1	150.6	172.4	-165.6	-91	0	0	0	111	N291 S292 N314 L315	N291-N312 WeakPolarHBondContact OD1-CB 3.34Å; N291-N312 PolarHBondContact OD1-ND2 3.25Å; S292-N312 WeakPolarHBondContact O-CB 3.02Å; N312-N314 PolarHBondContact O-N 3.02Å; N312-N314 VanDerWaalsContact O-N 3.1Å; N312-N314 WeakPolarHBondContact OD1-CB 3.09Å; N312-N314 PolarHBondContact OD1-N 2.67Å; N312-L315 PolarHBondContact O-N 2.91Å
313	T	98.1	Very high	98.5	Very high	53 Å²	53	33.7 Å²	33.7	33%	0.325	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-13.7	177	50.7	0	0	0	0	114	K344	T313-K344 VanDerWaalsContact O-CB 3.31Å; T313-K344 WeakPolarHBondContact O-CB 3.44Å; T313-K344 WeakPolarHBondContact O-CG 3.44Å; T313-K344 PolarHBondContact O-N 2.03Å
314	N	98	Very high	98.5	Very high	49 Å²	49	40.1 Å²	40.1	26%	0.262	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-16.3	175.9	-76.3	-21.7	0	0	0	114.8	S293 N312 K344	S293-N314 PolarHBondContact O-ND2 3.1Å; N312-N314 PolarHBondContact O-N 3.02Å; N312-N314 VanDerWaalsContact O-N 3.1Å; N312-N314 WeakPolarHBondContact OD1-CB 3.09Å; N312-N314 PolarHBondContact OD1-N 2.67Å; N314-K344 PolarHBondContact OD1-NZ 3.34Å
315	L	98.6	Very high	98.5	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	18%	0.18	C	C	.	.			trans	-63.3	136	-177.6	-168.2	73.5	0	0	0	110.7	L295 L298 V311 N312 L318 K344 L345	L295-L315 HydrophobicContact CB-CD1 3.78Å; L298-L315 HydrophobicContact CB-CD1 3.99Å; L298-L315 HydrophobicContact CB-CD2 4.16Å; L298-L315 HydrophobicContact CD2-CD2 4.49Å; V311-L315 HydrophobicContact CB-CD2 3.95Å; V311-L315 HydrophobicContact CG1-CD2 3.82Å; V311-L315 HydrophobicContact CG2-CD2 4.26Å; N312-L315 PolarHBondContact O-N 2.91Å; L315-L318 HydrophobicContact CD2-CB 3.98Å; L315-L318 HydrophobicContact CD2-CD1 4.11Å; L315-L318 HydrophobicContact CD2-CD2 4.49Å; L315-L318 HydrophobicContact CD2-CG 4.42Å; L315-K344 CarbonylContact O-C 3.16Å; L315-L345 HydrophobicContact CB-CD1 4.43Å; L315-L345 HydrophobicContact CD2-CD1 4.23Å; L315-L345 HydrophobicContact CG-CD1 4.23Å; L315-L345 VanDerWaalsContact O-CA 3.24Å; L315-L345 WeakPolarHBondContact O-CA 3.49Å; L315-L345 PolarHBondContact O-N 2.88Å; L315-L345 VanDerWaalsContact O-N 3.14Å
316	E	98.6	Very high	98.4	Very high	62 Å²	62	40.3 Å²	40.3	29%	0.29	20%	0.2	S	C	.	.			trans	-104.7	-38.4	-176.9	-62.2	-171	178.1	0	0	112.4	L296 Q346 V347	L296-E316 HydrophobicContact CD2-CG 4.25Å; L296-E316 PolarHBondContact O-N 2.93Å; E316-Q346 PolarHBondContact O-N 2.98Å; E316-Q346 PolarHBondContact OE2-NE2 3.45Å; E316-V347 PolarHBondContact O-N 2.96Å; E316-V347 VanDerWaalsContact O-N 3.09Å
317	N	98.8	Very high	98.3	Very high	29 Å²	29	39.8 Å²	39.8	16%	0.155	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	123.9	-176.5	-57.3	-69.8	0	0	0	110.6	L296 E297 L298 Y319 V347	L296-N317 PolarHBondContact O-N 2.8Å; E297-N317 WeakPolarHBondContact CA-O 3.34Å; E297-N317 HydrophobicContact CB-CB 4.38Å; E297-N317 HydrophobicContact CG-CB 4.06Å; L298-N317 PolarHBondContact N-O 3.32Å; N317-Y319 HydrophobicContact CB-CE2 4.12Å; N317-V347 WeakPolarHBondContact OD1-CB 3.32Å; N317-V347 VanDerWaalsContact OD1-CG2 3.32Å; N317-V347 WeakPolarHBondContact OD1-CG2 3.35Å
318	L	98.8	Very high	98.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	119.6	178.8	-178.7	60.5	0	0	0	111.2	L298 V311 L315 L320 F333 L345 V347 L348 R349	L298-L318 HydrophobicContact CB-CD1 4.09Å; L298-L318 HydrophobicContact CD2-CD1 3.97Å; L298-L318 HydrophobicContact CG-CD1 4.04Å; V311-L318 HydrophobicContact CG1-CD2 4.26Å; L315-L318 HydrophobicContact CD2-CB 3.98Å; L315-L318 HydrophobicContact CD2-CD1 4.11Å; L315-L318 HydrophobicContact CD2-CD2 4.49Å; L315-L318 HydrophobicContact CD2-CG 4.42Å; L318-L320 HydrophobicContact CD1-CD1 4.31Å; L318-L320 HydrophobicContact CD1-CG 4.17Å; L318-L320 HydrophobicContact CD2-CD1 3.71Å; L318-L320 HydrophobicContact CD2-CG 4.4Å; L318-L320 HydrophobicContact CG-CD1 3.89Å; L318-L320 HydrophobicContact CG-CG 4.05Å; L318-F333 HydrophobicContact CD2-CE1 3.85Å; L318-L345 HydrophobicContact CB-CD1 3.83Å; L318-V347 PolarHBondContact N-O 2.87Å; L318-L348 HydrophobicContact CB-CD1 4.1Å; L318-L348 HydrophobicContact CD2-CD1 3.93Å; L318-L348 HydrophobicContact CG-CD1 4.09Å; L318-L348 WeakPolarHBondContact O-CA 3.5Å; L318-R349 PolarHBondContact O-N 3.04Å
319	Y	98.9	Very high	98.1	Very high	53 Å²	53	35.8 Å²	35.8	21%	0.208	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117.2	178.8	-54.2	-74.2	0	0	0	110.2	E297 L298 D299 L300 S301 N317 V347 R349	E297-Y319 HydrophobicContact CG-CD2 4.49Å; E297-Y319 HydrophobicContact CG-CE2 3.91Å; L298-Y319 PolarHBondContact O-N 3.17Å; D299-Y319 HydrophobicContact CB-CD2 4.07Å; D299-Y319 WeakPolarHBondContact OD1-CB 3.12Å; L300-Y319 CarbonylContact C-O 3.49Å; L300-Y319 WeakPolarHBondContact CA-O 3.47Å; L300-Y319 PolarHBondContact N-O 2.84Å; S301-Y319 PolarHBondContact N-O 3.27Å; N317-Y319 HydrophobicContact CB-CE2 4.12Å; Y319-V347 HydrophobicContact CE1-CG1 4.16Å; Y319-R349 HydrophobicContact CD1-CB 4.03Å; Y319-R349 HydrophobicContact CD1-CG 3.78Å; Y319-R349 HydrophobicContact CE1-CG 4.1Å
320	L	98.8	Very high	98	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.			trans	-131.5	11	-178.2	-74.2	167.7	0	0	0	111.9	L300 L305 I308 L318 N323 I325 R349 L350 N353	L300-L320 HydrophobicContact CB-CD2 3.76Å; L300-L320 HydrophobicContact CD1-CD2 4.19Å; L305-L320 HydrophobicContact CD1-CD2 3.62Å; I308-L320 HydrophobicContact CB-CD1 4.5Å; I308-L320 HydrophobicContact CG1-CD1 4.38Å; I308-L320 HydrophobicContact CG2-CD1 3.93Å; L318-L320 HydrophobicContact CD1-CD1 4.31Å; L318-L320 HydrophobicContact CD1-CG 4.17Å; L318-L320 HydrophobicContact CD2-CD1 3.71Å; L318-L320 HydrophobicContact CD2-CG 4.4Å; L318-L320 HydrophobicContact CG-CD1 3.89Å; L318-L320 HydrophobicContact CG-CG 4.05Å; L320-N323 WeakPolarHBondContact O-CB 3.35Å; L320-N323 PolarHBondContact O-ND2 3.45Å; L320-I325 HydrophobicContact CB-CD1 4.03Å; L320-I325 HydrophobicContact CD1-CD1 4.13Å; L320-I325 HydrophobicContact CD2-CD1 4.3Å; L320-I325 HydrophobicContact CG-CD1 4.4Å; L320-R349 CarbonylContact C-O 3.52Å; L320-R349 WeakPolarHBondContact CA-O 3.45Å; L320-R349 WeakPolarHBondContact CB-O 3.41Å; L320-R349 PolarHBondContact N-O 2.86Å; L320-L350 HydrophobicContact CB-CD2 3.75Å; L320-L350 HydrophobicContact CD1-CD2 3.91Å; L320-N353 PolarHBondContact O-ND2 3.46Å
321	Q	98.5	Very high	97.9	Very high	19 Å²	19	38.9 Å²	38.9	9%	0.089	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	148.8	-179.9	68.8	-81.4	7.1	0	0	112.5	S301 Y302 N323 R349 D351	S301-Q321 CarbonylContact C-O 3.07Å; S301-Q321 WeakPolarHBondContact CA-O 3.34Å; S301-Q321 VanDerWaalsContact CB-NE2 3.35Å; S301-Q321 VanDerWaalsContact CB-O 3.28Å; S301-Q321 WeakPolarHBondContact CB-O 3.5Å; Y302-Q321 HydrophobicContact CE2-CG 4.36Å; Y302-Q321 PolarHBondContact N-O 3.32Å; Q321-N323 VanDerWaalsContact C-N 3.32Å; Q321-N323 PolarHBondContact O-N 3.32Å; Q321-R349 PolarHBondContact N-O 3.07Å; Q321-R349 VanDerWaalsContact OE1-CB 3.29Å; Q321-D351 CarbonylContact C-O 3.13Å; Q321-D351 WeakPolarHBondContact CA-O 3.23Å; Q321-D351 WeakPolarHBondContact CB-O 3.47Å; Q321-D351 WeakPolarHBondContact CB-OD1 3.39Å
322	G	98.2	Very high	97.9	Very high	24 Å²	24	39 Å²	39	25%	0.247	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	25.7	178.6	0	0	0	0	0	115	Y302 D351	Y302-G322 WeakPolarHBondContact CA-O 3.3Å; G322-D351 PolarHBondContact N-O 3.24Å
323	N	98.7	Very high	97.9	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	20%	0.197	C	C	.	.	S	Bend	trans	-95.1	-164.4	170	-84	-82.7	0	0	0	110.8	L300 N303 Q304 L305 L320 Q321 I325 N353	L300-N323 PolarHBondContact O-ND2 3.21Å; N303-N323 VanDerWaalsContact CA-OD1 3.27Å; N303-N323 WeakPolarHBondContact CA-OD1 3.31Å; N303-N323 WeakPolarHBondContact CB-OD1 3.16Å; N303-N323 PolarHBondContact N-OD1 3.37Å; N303-N323 PolarHBondContact O-OD1 2.94Å; Q304-N323 PolarHBondContact N-OD1 3.18Å; L305-N323 HydrophobicContact CB-CB 4.23Å; L305-N323 VanDerWaalsContact CB-OD1 3.31Å; L305-N323 WeakPolarHBondContact CB-OD1 3.27Å; L305-N323 WeakPolarHBondContact CG-OD1 3.44Å; L305-N323 PolarHBondContact N-OD1 2.93Å; L320-N323 WeakPolarHBondContact O-CB 3.35Å; L320-N323 PolarHBondContact O-ND2 3.45Å; Q321-N323 VanDerWaalsContact C-N 3.32Å; Q321-N323 PolarHBondContact O-N 3.32Å; N323-I325 HydrophobicContact CB-CD1 4.24Å; N323-I325 HydrophobicContact CB-CG1 4.09Å; N323-N353 VanDerWaalsContact CA-OD1 3.25Å; N323-N353 WeakPolarHBondContact CA-OD1 3.44Å; N323-N353 WeakPolarHBondContact CB-OD1 3.25Å; N323-N353 PolarHBondContact N-OD1 3.33Å; N323-N353 PolarHBondContact O-OD1 3.27Å
324	R	98.5	Very high	97.8	Very high	140 Å²	140	35.5 Å²	35.5	53%	0.528	18%	0.184	S	C	.	.			trans	-116.7	29	178.1	-54.1	-60.9	-64.8	-106.5	-2.4	111.4	L305 Q306 N326 N353 E354	L305-R324 CarbonylContact O-C 3.29Å; L305-R324 VanDerWaalsContact O-CA 3.25Å; L305-R324 WeakPolarHBondContact O-CA 3.4Å; L305-R324 PolarHBondContact O-N 3.03Å; Q306-R324 WeakPolarHBondContact CA-O 3.48Å; Q306-R324 HydrophobicContact CG-CB 4.38Å; R324-N326 PolarHBondContact O-N 2.93Å; R324-N353 PolarHBondContact N-OD1 3.42Å; R324-E354 IonicContact CZ-OE1 3.87Å; R324-E354 IonicContact NE-OE1 3.91Å; R324-E354 PolarHBondContact NE-OE1 2.85Å; R324-E354 IonicContact NH2-OE1 3.9Å; R324-E354 PolarHBondContact NH2-OE1 3.14Å
325	I	98.5	Very high	97.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.211	C	C	.	.			trans	-67.7	126.9	-174.4	-62.4	168.8	0	0	0	109.3	L305 Q306 I308 L320 N323 E327 L350 N353 E354 I355	L305-I325 HydrophobicContact CB-CG1 4.38Å; L305-I325 PolarHBondContact O-N 3.27Å; L305-I325 VanDerWaalsContact O-N 3.11Å; Q306-I325 WeakPolarHBondContact O-CA 3.41Å; I308-I325 HydrophobicContact CG1-CD1 4.2Å; I308-I325 HydrophobicContact CG1-CG2 4.11Å; L320-I325 HydrophobicContact CB-CD1 4.03Å; L320-I325 HydrophobicContact CD1-CD1 4.13Å; L320-I325 HydrophobicContact CD2-CD1 4.3Å; L320-I325 HydrophobicContact CG-CD1 4.4Å; N323-I325 HydrophobicContact CB-CD1 4.24Å; N323-I325 HydrophobicContact CB-CG1 4.09Å; I325-E327 WeakPolarHBondContact CG2-O 3.47Å; I325-L350 HydrophobicContact CD1-CD2 3.75Å; I325-N353 HydrophobicContact CB-CB 4.08Å; I325-N353 VanDerWaalsContact CB-OD1 3.25Å; I325-N353 WeakPolarHBondContact CB-OD1 3.38Å; I325-N353 WeakPolarHBondContact CG1-OD1 3.43Å; I325-N353 PolarHBondContact N-OD1 3.11Å; I325-E354 CarbonylContact O-C 3.22Å; I325-E354 VanDerWaalsContact O-C 3.29Å; I325-E354 VanDerWaalsContact O-CA 3.26Å; I325-E354 WeakPolarHBondContact O-CA 3.34Å; I325-E354 WeakPolarHBondContact O-CB 3.25Å; I325-E354 PolarHBondContact O-N 3.11Å; I325-I355 HydrophobicContact CG2-CD1 4.49Å
326	N	97.3	Very high	97.5	Very high	81 Å²	81	43.9 Å²	43.9	43%	0.433	24%	0.237	S	C	.	.			trans	-117.5	1.9	-175.8	57.9	27.5	0	0	0	113.9	Q306 R324 E354	Q306-N326 PolarHBondContact O-N 3.16Å; Q306-N326 PolarHBondContact O-OD1 3.25Å; R324-N326 PolarHBondContact O-N 2.93Å; N326-E354 HydrophobicContact CB-CB 4.12Å
327	E	96.6	Very high	97.4	Very high	99 Å²	99	44.1 Å²	44.1	46%	0.463	24%	0.243	S	C	.	.			trans	-143.9	136.4	178.5	-172.8	-172.9	161.4	0	0	110.9	I325	I325-E327 WeakPolarHBondContact CG2-O 3.47Å
328	F	97	Very high	97.2	Very high	10 Å²	10	46 Å²	46	4%	0.044	25%	0.253	C	S	.	.			trans	-93.2	106.2	168.8	-169.1	-72.9	0	0	0	109.5	I308 I330 F333 L348 L350 A359 M360 L368 I376	I308-F328 HydrophobicContact CD1-CD2 4.28Å; I308-F328 HydrophobicContact CD1-CG 4.47Å; F328-I330 HydrophobicContact CE1-CD1 4.2Å; F328-F333 HydrophobicContact CE1-CE2 4.22Å; F328-F333 HydrophobicContact CZ-CE2 4.03Å; F328-L348 HydrophobicContact CE2-CD2 4.01Å; F328-L348 HydrophobicContact CZ-CD2 4.21Å; F328-L350 HydrophobicContact CD2-CD1 3.72Å; F328-L350 HydrophobicContact CE2-CD1 3.61Å; F328-A359 HydrophobicContact CB-CB 4.33Å; F328-M360 HydrophobicContact CD1-CB 4.4Å; F328-M360 HydrophobicContact CD1-CG 4.12Å; F328-M360 HydrophobicContact CD2-CB 4.35Å; F328-M360 HydrophobicContact CD2-CG 4.46Å; F328-M360 HydrophobicContact CE1-CG 3.86Å; F328-M360 HydrophobicContact CE1-SD 4.5Å; F328-M360 HydrophobicContact CE2-CG 4.19Å; F328-M360 HydrophobicContact CE2-SD 4.21Å; F328-M360 HydrophobicContact CG-CB 4.3Å; F328-M360 HydrophobicContact CG-CG 4.43Å; F328-M360 HydrophobicContact CZ-CG 3.9Å; F328-M360 HydrophobicContact CZ-SD 3.98Å; F328-L368 HydrophobicContact CZ-CD1 3.93Å; F328-I376 HydrophobicContact CD2-CD1 4.25Å; F328-I376 HydrophobicContact CE2-CD1 4.29Å
329	S	95.9	Very high	97	Very high	29 Å²	29	51.9 Å²	51.9	20%	0.203	29%	0.288	C	S	.	.			trans	-107	111.6	-178.3	-173.6	0	0	0	0	111.8	S331 S332	S329-S331 PolarHBondContact O-N 2.88Å; S329-S331 PolarHBondContact OG-OG 3Å; S329-S332 WeakPolarHBondContact O-CB 3.41Å; S329-S332 PolarHBondContact O-N 2.92Å
330	I	96.1	Very high	96.8	Very high	46 Å²	46	54.7 Å²	54.7	24%	0.236	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-64.7	-26.9	179.6	-159.5	62.3	0	0	0	112.5	F328 S332 F333 C334 A364 C367 L368	F328-I330 HydrophobicContact CE1-CD1 4.2Å; I330-S332 PolarHBondContact O-N 2.74Å; I330-F333 HydrophobicContact CD1-CD2 4.32Å; I330-F333 PolarHBondContact O-N 2.84Å; I330-C334 PolarHBondContact O-N 2.79Å; I330-A364 HydrophobicContact CD1-CB 3.84Å; I330-C367 HydrophobicContact CD1-CB 3.82Å; I330-C367 HydrophobicContact CG1-CB 3.81Å; I330-L368 HydrophobicContact CD1-CD1 4.24Å; I330-L368 HydrophobicContact CD1-CG 4.11Å
331	S	96.3	Very high	96.6	Very high	74 Å²	74	58.2 Å²	58.2	52%	0.517	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-65.8	-16.2	178.4	50.7	0	0	0	0	114	S329 F333 C334	S329-S331 PolarHBondContact O-N 2.88Å; S329-S331 PolarHBondContact OG-OG 3Å; S331-F333 PolarHBondContact O-N 3.45Å; S331-C334 WeakPolarHBondContact CA-O 3.34Å
332	S	97.4	Very high	96.6	Very high	11 Å²	11	60 Å²	60	8%	0.077	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-70.3	-19.5	172.9	-61.1	0	0	0	0	112.9	I308 P310 V311 S329 I330	I308-S332 WeakPolarHBondContact O-CB 3.21Å; I308-S332 PolarHBondContact O-OG 3.4Å; P310-S332 WeakPolarHBondContact CA-O 3.36Å; V311-S332 PolarHBondContact N-O 3.31Å; S329-S332 WeakPolarHBondContact O-CB 3.41Å; S329-S332 PolarHBondContact O-N 2.92Å; I330-S332 PolarHBondContact O-N 2.74Å
333	F	97.9	Very high	96.6	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.018	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-39.2	-179.8	-54.5	-76.8	0	0	0	112.3	I308 V311 L318 F328 I330 S331 L345 L348 L368	I308-F333 HydrophobicContact CD1-CE2 4.07Å; I308-F333 HydrophobicContact CD1-CZ 4.09Å; I308-F333 HydrophobicContact CG2-CE1 4.32Å; I308-F333 HydrophobicContact CG2-CE2 4.33Å; I308-F333 HydrophobicContact CG2-CZ 3.85Å; V311-F333 HydrophobicContact CG2-CD1 3.81Å; V311-F333 HydrophobicContact CG2-CE1 4.38Å; L318-F333 HydrophobicContact CD2-CE1 3.85Å; F328-F333 HydrophobicContact CE1-CE2 4.22Å; F328-F333 HydrophobicContact CZ-CE2 4.03Å; I330-F333 HydrophobicContact CD1-CD2 4.32Å; I330-F333 PolarHBondContact O-N 2.84Å; S331-F333 PolarHBondContact O-N 3.45Å; F333-L345 HydrophobicContact CD1-CD2 4.08Å; F333-L345 HydrophobicContact CE1-CD2 3.74Å; F333-L348 HydrophobicContact CE1-CD1 4.37Å; F333-L348 HydrophobicContact CE1-CD2 4.31Å; F333-L348 HydrophobicContact CE2-CD2 4.41Å; F333-L348 HydrophobicContact CZ-CD1 4.19Å; F333-L348 HydrophobicContact CZ-CD2 3.7Å; F333-L368 HydrophobicContact CB-CD2 3.93Å; F333-L368 HydrophobicContact CD1-CD2 4Å; F333-L368 HydrophobicContact CD2-CD1 4.41Å; F333-L368 HydrophobicContact CD2-CD2 4.12Å; F333-L368 HydrophobicContact CE2-CD1 4.41Å; F333-L368 HydrophobicContact CG-CD2 3.76Å
334	C	97	Very high	96.5	Very high	8 Å²	8	63.1 Å²	63.1	5%	0.054	34%	0.344	C	S	.	.			trans	-135.1	117	-179.5	-55.6	0	0	0	0	110.8	I330 S331 V337 S343 C367	I330-C334 PolarHBondContact O-N 2.79Å; S331-C334 WeakPolarHBondContact CA-O 3.34Å; C334-V337 HydrophobicContact CB-CG2 3.46Å; C334-V337 VanDerWaalsContact CB-CG2 3.46Å; C334-S343 PolarHBondContact SG-N 2.93Å; C334-C367 HydrophobicContact CB-CB 3.87Å; C334-C367 WeakPolarHBondContact CB-SG 3.03Å; C334-C367 WeakPolarHBondContact SG-CB 3.33Å; C334-C367 CovalentContact SG-SG 2.03Å; C334-C367 PolarHBondContact SG-SG 2.79Å
335	T	94.9	Very high	96.5	Very high	136 Å²	136	56.5 Å²	56.5	83%	0.834	32%	0.319	S	S	*	.	S	Bend	trans	-73.5	-33.6	169.9	-49.5	0	0	0	0	111.7
336	V	94.4	Very high	96.5	Very high	93 Å²	93	60.2 Å²	60.2	56%	0.564	34%	0.336	S	S	*	.	S	Bend	trans	-133.7	144.2	174.5	-65.4	0	0	0	0	108.6	N341	V336-N341 HydrophobicContact CG2-CB 4.17Å
337	V	96.2	Very high	96.6	Very high	67 Å²	67	57.4 Å²	57.4	41%	0.406	32%	0.322	S	S	.	.			trans	-129	120.6	-179.7	-177.9	0	0	0	0	109.1	C334 N341 L366 C367	C334-V337 HydrophobicContact CB-CG2 3.46Å; C334-V337 VanDerWaalsContact CB-CG2 3.46Å; V337-N341 WeakPolarHBondContact CA-O 3.08Å; V337-L366 HydrophobicContact CG1-CB 4.04Å; V337-L366 WeakPolarHBondContact CG1-O 3.28Å; V337-C367 HydrophobicContact CG2-CB 3.83Å
338	D	94.9	Very high	96.6	Very high	68 Å²	68	52.7 Å²	52.7	36%	0.364	30%	0.3	S	S	.	.	S	Bend	trans	-149.7	-167.6	173.9	66.6	40.5	0	0	0	110.8	V340 N341 R369	D338-V340 PolarHBondContact O-N 2.93Å; D338-V340 WeakPolarHBondContact OD1-CA 3.19Å; D338-V340 WeakPolarHBondContact OD1-CG2 3.18Å; D338-V340 PolarHBondContact OD1-N 3.25Å; D338-N341 PolarHBondContact N-O 3.27Å; D338-N341 VanDerWaalsContact N-O 3.08Å; D338-N341 WeakPolarHBondContact OD1-CB 3.37Å; D338-N341 PolarHBondContact OD1-N 2.84Å; D338-N341 PolarHBondContact OD1-ND2 3.18Å; D338-N341 PolarHBondContact OD2-ND2 3.21Å; D338-R369 PolarHBondContact O-NH1 3.26Å; D338-R369 PolarHBondContact O-NH2 3.33Å
339	V	93.9	Very high	96.7	Very high	124 Å²	124	55.5 Å²	55.5	75%	0.752	31%	0.31	S	S	*	.	S	Bend	trans	-57.9	-34.3	-177.6	-178.6	0	0	0	0	112.4	R369	V339-R369 PolarHBondContact O-NH1 2.92Å
340	V	95.1	Very high	96.8	Very high	112 Å²	112	54.1 Å²	54.1	68%	0.679	30%	0.3	S	S	*	.	S	Bend	trans	-107.1	-24.7	-176	-60.7	0	0	0	0	113.7	D338	D338-V340 PolarHBondContact O-N 2.93Å; D338-V340 WeakPolarHBondContact OD1-CA 3.19Å; D338-V340 WeakPolarHBondContact OD1-CG2 3.18Å; D338-V340 PolarHBondContact OD1-N 3.25Å
341	N	95.9	Very high	96.9	Very high	73 Å²	73	53.9 Å²	53.9	39%	0.39	30%	0.3	S	S	.	.			trans	-98.6	102.2	-179.2	-66.2	-51.4	0	0	0	110.2	V336 V337 D338	V336-N341 HydrophobicContact CG2-CB 4.17Å; V337-N341 WeakPolarHBondContact CA-O 3.08Å; D338-N341 PolarHBondContact N-O 3.27Å; D338-N341 VanDerWaalsContact N-O 3.08Å; D338-N341 WeakPolarHBondContact OD1-CB 3.37Å; D338-N341 PolarHBondContact OD1-N 2.84Å; D338-N341 PolarHBondContact OD1-ND2 3.18Å; D338-N341 PolarHBondContact OD2-ND2 3.21Å
342	F	97.4	Very high	96.9	Very high	56 Å²	56	53.3 Å²	53.3	25%	0.246	31%	0.305	C	S	.	.			trans	-155.3	164.4	175.8	59.3	-88.5	0	0	0	109.9	R369 L370	F342-R369 HydrophobicContact CB-CG 4.46Å; F342-R369 HydrophobicContact CD2-CB 4.14Å; F342-R369 HydrophobicContact CD2-CG 4.41Å; F342-R369 HydrophobicContact CG-CG 4.47Å; F342-L370 HydrophobicContact CE2-CD1 4.28Å; F342-L370 HydrophobicContact CE2-CG 4.21Å
343	S	98	Very high	97	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.307	C	S	.	.			trans	-81.4	138.6	178.9	-178.3	0	0	0	0	111.4	C334 L345 C367	C334-S343 PolarHBondContact SG-N 2.93Å; S343-L345 VanDerWaalsContact C-N 3.26Å; S343-L345 WeakPolarHBondContact OG-CB 3.2Å; S343-L345 PolarHBondContact OG-N 3.3Å; S343-C367 PolarHBondContact N-O 2.81Å
344	K	97.8	Very high	97	Very high	95 Å²	95	58.5 Å²	58.5	41%	0.413	33%	0.329	S	S	.	.			trans	-85.8	4.9	175.5	-63.3	-179.2	-173.5	162.1	0	113.8	T313 N314 L315 Q346 L370	T313-K344 VanDerWaalsContact O-CB 3.31Å; T313-K344 WeakPolarHBondContact O-CB 3.44Å; T313-K344 WeakPolarHBondContact O-CG 3.44Å; T313-K344 PolarHBondContact O-N 2.03Å; N314-K344 PolarHBondContact OD1-NZ 3.34Å; L315-K344 CarbonylContact O-C 3.16Å; K344-Q346 PolarHBondContact O-N 2.75Å; K344-L370 HydrophobicContact CB-CD1 4.31Å; K344-L370 HydrophobicContact CG-CD1 4.41Å
345	L	98.2	Very high	96.9	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	33%	0.33	C	S	.	.			trans	-54.2	127.7	-178.8	-158.6	75.4	0	0	0	111.1	L315 L318 F333 S343 L348 L368 L370 A371	L315-L345 HydrophobicContact CB-CD1 4.43Å; L315-L345 HydrophobicContact CD2-CD1 4.23Å; L315-L345 HydrophobicContact CG-CD1 4.23Å; L315-L345 VanDerWaalsContact O-CA 3.24Å; L315-L345 WeakPolarHBondContact O-CA 3.49Å; L315-L345 PolarHBondContact O-N 2.88Å; L315-L345 VanDerWaalsContact O-N 3.14Å; L318-L345 HydrophobicContact CB-CD1 3.83Å; F333-L345 HydrophobicContact CD1-CD2 4.08Å; F333-L345 HydrophobicContact CE1-CD2 3.74Å; S343-L345 VanDerWaalsContact C-N 3.26Å; S343-L345 WeakPolarHBondContact OG-CB 3.2Å; S343-L345 PolarHBondContact OG-N 3.3Å; L345-L348 HydrophobicContact CD2-CB 3.82Å; L345-L348 HydrophobicContact CD2-CD1 4.22Å; L345-L348 HydrophobicContact CD2-CD2 4.24Å; L345-L348 HydrophobicContact CD2-CG 4.32Å; L345-L368 HydrophobicContact CB-CD2 4.26Å; L345-L368 HydrophobicContact CD2-CD2 4.12Å; L345-L370 CarbonylContact O-C 3.57Å; L345-A371 VanDerWaalsContact O-CA 3.23Å; L345-A371 WeakPolarHBondContact O-CA 3.43Å; L345-A371 PolarHBondContact O-N 3.03Å
346	Q	98.3	Very high	96.9	Very high	77 Å²	77	60 Å²	60	36%	0.36	32%	0.324	S	S	.	.			trans	-103.3	-43.8	178.4	-61.1	-178.6	30.6	0	0	110.9	E316 K344 A371 S372 L373	E316-Q346 PolarHBondContact O-N 2.98Å; E316-Q346 PolarHBondContact OE2-NE2 3.45Å; K344-Q346 PolarHBondContact O-N 2.75Å; Q346-A371 CarbonylContact O-C 3.25Å; Q346-A371 WeakPolarHBondContact O-CA 3.42Å; Q346-S372 PolarHBondContact O-N 2.95Å; Q346-S372 PolarHBondContact O-OG 2.75Å; Q346-L373 PolarHBondContact O-N 3.26Å; Q346-L373 VanDerWaalsContact O-N 3.14Å
347	V	98.6	Very high	96.8	Very high	23 Å²	23	64.2 Å²	64.2	14%	0.139	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	127	-179	-178.8	0	0	0	0	110.6	E316 N317 L318 Y319 R349 L373	E316-V347 PolarHBondContact O-N 2.96Å; E316-V347 VanDerWaalsContact O-N 3.09Å; N317-V347 WeakPolarHBondContact OD1-CB 3.32Å; N317-V347 VanDerWaalsContact OD1-CG2 3.32Å; N317-V347 WeakPolarHBondContact OD1-CG2 3.35Å; L318-V347 PolarHBondContact N-O 2.87Å; Y319-V347 HydrophobicContact CE1-CG1 4.16Å; V347-R349 HydrophobicContact CG1-CG 4.34Å; V347-L373 WeakPolarHBondContact CA-O 3.34Å; V347-L373 HydrophobicContact CG1-CB 4.42Å; V347-L373 HydrophobicContact CG1-CD2 4.08Å; V347-L373 HydrophobicContact CG1-CG 4.48Å; V347-L373 HydrophobicContact CG2-CB 4.38Å
348	L	98.4	Very high	96.7	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	117.7	172.9	178.9	57.1	0	0	0	109.9	L318 F328 F333 L345 L350 L368 L373 I374 E375	L318-L348 HydrophobicContact CB-CD1 4.1Å; L318-L348 HydrophobicContact CD2-CD1 3.93Å; L318-L348 HydrophobicContact CG-CD1 4.09Å; L318-L348 WeakPolarHBondContact O-CA 3.5Å; F328-L348 HydrophobicContact CE2-CD2 4.01Å; F328-L348 HydrophobicContact CZ-CD2 4.21Å; F333-L348 HydrophobicContact CE1-CD1 4.37Å; F333-L348 HydrophobicContact CE1-CD2 4.31Å; F333-L348 HydrophobicContact CE2-CD2 4.41Å; F333-L348 HydrophobicContact CZ-CD1 4.19Å; F333-L348 HydrophobicContact CZ-CD2 3.7Å; L345-L348 HydrophobicContact CD2-CB 3.82Å; L345-L348 HydrophobicContact CD2-CD1 4.22Å; L345-L348 HydrophobicContact CD2-CD2 4.24Å; L345-L348 HydrophobicContact CD2-CG 4.32Å; L348-L350 HydrophobicContact CD1-CD1 4.19Å; L348-L350 HydrophobicContact CD1-CG 4.07Å; L348-L350 HydrophobicContact CD2-CD1 3.82Å; L348-L350 HydrophobicContact CG-CD1 3.94Å; L348-L350 HydrophobicContact CG-CG 4.12Å; L348-L368 HydrophobicContact CD2-CD1 4.39Å; L348-L373 PolarHBondContact N-O 3.25Å; L348-I374 HydrophobicContact CB-CG1 4.32Å; L348-I374 HydrophobicContact CB-CG2 4.43Å; L348-I374 HydrophobicContact CD2-CG2 4.2Å; L348-I374 HydrophobicContact CG-CG2 4.44Å; L348-I374 WeakPolarHBondContact O-CA 3.32Å; L348-E375 PolarHBondContact O-N 2.76Å
349	R	98.4	Very high	96.7	Very high	68 Å²	68	65.2 Å²	65.2	26%	0.257	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.4	173	-64	-162.1	74.6	-157.4	-1	111	L318 Y319 L320 Q321 V347 D351 E375	L318-R349 PolarHBondContact O-N 3.04Å; Y319-R349 HydrophobicContact CD1-CB 4.03Å; Y319-R349 HydrophobicContact CD1-CG 3.78Å; Y319-R349 HydrophobicContact CE1-CG 4.1Å; L320-R349 CarbonylContact C-O 3.52Å; L320-R349 WeakPolarHBondContact CA-O 3.45Å; L320-R349 WeakPolarHBondContact CB-O 3.41Å; L320-R349 PolarHBondContact N-O 2.86Å; Q321-R349 PolarHBondContact N-O 3.07Å; Q321-R349 VanDerWaalsContact OE1-CB 3.29Å; V347-R349 HydrophobicContact CG1-CG 4.34Å; R349-D351 IonicContact CZ-OD1 3.83Å; R349-D351 IonicContact CZ-OD2 2.91Å; R349-D351 IonicContact NE-OD1 2.91Å; R349-D351 PolarHBondContact NE-OD1 3.47Å; R349-D351 VanDerWaalsContact NH2-CG 3.28Å; R349-D351 IonicContact NH2-OD1 3Å; R349-D351 PolarHBondContact NH2-OD1 2.94Å; R349-D351 IonicContact NH2-OD2 2.66Å; R349-D351 PolarHBondContact NH2-OD2 3.03Å; R349-E375 IonicContact CZ-OE2 3.28Å; R349-E375 IonicContact NE-OE2 3.8Å; R349-E375 PolarHBondContact NE-OE2 3.37Å; R349-E375 IonicContact NH2-OE2 2.71Å; R349-E375 PolarHBondContact NH2-OE2 3.11Å
350	L	98.3	Very high	96.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.323	C	S	.	.			trans	-127.5	7.5	178.6	-75.2	165.8	0	0	0	111.7	I308 L320 I325 F328 L348 N353 I355 E375 I376	I308-L350 HydrophobicContact CD1-CD1 4.12Å; I308-L350 HydrophobicContact CD1-CD2 4.28Å; I308-L350 HydrophobicContact CG1-CD2 4.22Å; L320-L350 HydrophobicContact CB-CD2 3.75Å; L320-L350 HydrophobicContact CD1-CD2 3.91Å; I325-L350 HydrophobicContact CD1-CD2 3.75Å; F328-L350 HydrophobicContact CD2-CD1 3.72Å; F328-L350 HydrophobicContact CE2-CD1 3.61Å; L348-L350 HydrophobicContact CD1-CD1 4.19Å; L348-L350 HydrophobicContact CD1-CG 4.07Å; L348-L350 HydrophobicContact CD2-CD1 3.82Å; L348-L350 HydrophobicContact CG-CD1 3.94Å; L348-L350 HydrophobicContact CG-CG 4.12Å; L350-N353 WeakPolarHBondContact O-CB 3.07Å; L350-N353 PolarHBondContact O-N 3.39Å; L350-N353 PolarHBondContact O-ND2 2.89Å; L350-I355 HydrophobicContact CB-CD1 4.17Å; L350-I355 HydrophobicContact CD1-CD1 4.1Å; L350-I355 HydrophobicContact CD2-CD1 4.49Å; L350-E375 WeakPolarHBondContact CA-O 3.26Å; L350-E375 WeakPolarHBondContact CB-O 3.19Å; L350-E375 PolarHBondContact N-O 2.89Å; L350-I376 HydrophobicContact CB-CG1 4.34Å; L350-I376 HydrophobicContact CD1-CG1 4.44Å
351	D	97.4	Very high	96.8	Very high	42 Å²	42	58.4 Å²	58.4	23%	0.225	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	147.1	178.1	53.4	-63.4	0	0	0	112.4	Q321 G322 R349 N353 E375 I376	Q321-D351 CarbonylContact C-O 3.13Å; Q321-D351 WeakPolarHBondContact CA-O 3.23Å; Q321-D351 WeakPolarHBondContact CB-O 3.47Å; Q321-D351 WeakPolarHBondContact CB-OD1 3.39Å; G322-D351 PolarHBondContact N-O 3.24Å; R349-D351 IonicContact CZ-OD1 3.83Å; R349-D351 IonicContact CZ-OD2 2.91Å; R349-D351 IonicContact NE-OD1 2.91Å; R349-D351 PolarHBondContact NE-OD1 3.47Å; R349-D351 VanDerWaalsContact NH2-CG 3.28Å; R349-D351 IonicContact NH2-OD1 3Å; R349-D351 PolarHBondContact NH2-OD1 2.94Å; R349-D351 IonicContact NH2-OD2 2.66Å; R349-D351 PolarHBondContact NH2-OD2 3.03Å; D351-N353 VanDerWaalsContact C-N 3.3Å; D351-N353 PolarHBondContact O-N 3.34Å; D351-E375 HydrophobicContact CB-CB 4.46Å; D351-E375 PolarHBondContact N-O 3.28Å; D351-I376 WeakPolarHBondContact CA-OXT 3.42Å
352	G	97.4	Very high	96.7	Very high	61 Å²	61	60 Å²	60	63%	0.629	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	23.1	-177.5	0	0	0	0	0	114.5
353	N	98.4	Very high	96.4	Very high	22 Å²	22	62 Å²	62	12%	0.118	34%	0.341	C	S	.	.	S	Bend	trans	-100.6	-178.9	168.5	-79	-82.6	0	0	0	112	L320 N323 R324 I325 L350 D351 I355	L320-N353 PolarHBondContact O-ND2 3.46Å; N323-N353 VanDerWaalsContact CA-OD1 3.25Å; N323-N353 WeakPolarHBondContact CA-OD1 3.44Å; N323-N353 WeakPolarHBondContact CB-OD1 3.25Å; N323-N353 PolarHBondContact N-OD1 3.33Å; N323-N353 PolarHBondContact O-OD1 3.27Å; R324-N353 PolarHBondContact N-OD1 3.42Å; I325-N353 HydrophobicContact CB-CB 4.08Å; I325-N353 VanDerWaalsContact CB-OD1 3.25Å; I325-N353 WeakPolarHBondContact CB-OD1 3.38Å; I325-N353 WeakPolarHBondContact CG1-OD1 3.43Å; I325-N353 PolarHBondContact N-OD1 3.11Å; L350-N353 WeakPolarHBondContact O-CB 3.07Å; L350-N353 PolarHBondContact O-N 3.39Å; L350-N353 PolarHBondContact O-ND2 2.89Å; D351-N353 VanDerWaalsContact C-N 3.3Å; D351-N353 PolarHBondContact O-N 3.34Å; N353-I355 HydrophobicContact CB-CG1 4.01Å; N353-I355 PolarHBondContact O-N 2.84Å
354	E	97.7	Very high	96.3	Very high	102 Å²	102	62 Å²	62	48%	0.477	34%	0.341	S	S	.	.	S	Bend	trans	-89.7	30.1	179	-57.5	-179.2	-177.5	0	0	112.3	R324 I325 N326	R324-E354 IonicContact CZ-OE1 3.87Å; R324-E354 IonicContact NE-OE1 3.91Å; R324-E354 PolarHBondContact NE-OE1 2.85Å; R324-E354 IonicContact NH2-OE1 3.9Å; R324-E354 PolarHBondContact NH2-OE1 3.14Å; I325-E354 CarbonylContact O-C 3.22Å; I325-E354 VanDerWaalsContact O-C 3.29Å; I325-E354 VanDerWaalsContact O-CA 3.26Å; I325-E354 WeakPolarHBondContact O-CA 3.34Å; I325-E354 WeakPolarHBondContact O-CB 3.25Å; I325-E354 PolarHBondContact O-N 3.11Å; N326-E354 HydrophobicContact CB-CB 4.12Å
355	I	95.9	Very high	96.2	Very high	15 Å²	15	61.1 Å²	61.1	8%	0.077	35%	0.346	C	S	.	.			trans	-121.7	157.8	177.5	52.1	170	0	0	0	111.5	I325 L350 N353 A359 I376	I325-I355 HydrophobicContact CG2-CD1 4.49Å; L350-I355 HydrophobicContact CB-CD1 4.17Å; L350-I355 HydrophobicContact CD1-CD1 4.1Å; L350-I355 HydrophobicContact CD2-CD1 4.49Å; N353-I355 HydrophobicContact CB-CG1 4.01Å; N353-I355 PolarHBondContact O-N 2.84Å; I355-A359 HydrophobicContact CB-CB 4.38Å; I355-A359 HydrophobicContact CG2-CB 4.49Å; I355-I376 HydrophobicContact CD1-CG2 3.87Å; I355-I376 HydrophobicContact CG1-CG2 3.86Å
356	K	94	Very high	96.1	Very high	162 Å²	162	66 Å²	66	70%	0.704	37%	0.371	S	S	*	.			trans	-114.6	160.2	171.5	-63.6	-177.4	-179.3	-179.6	0	109.2	S358 A359	K356-S358 PolarHBondContact O-N 3.41Å; K356-A359 WeakPolarHBondContact O-CB 3.35Å; K356-A359 PolarHBondContact O-N 2.82Å
357	R	92.6	Very high	96.1	Very high	180 Å²	180	62.3 Å²	62.3	68%	0.679	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-52.2	-31.7	176.5	-164.5	175.2	-171.5	122.3	2.1	114	A359 M360	R357-A359 PolarHBondContact O-N 3.46Å; R357-M360 PolarHBondContact O-N 3.41Å
358	S	94	Very high	96	Very high	111 Å²	111	61.6 Å²	61.6	78%	0.776	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-68.3	-12.7	176.6	59.8	0	0	0	0	114.6	K356 M360	K356-S358 PolarHBondContact O-N 3.41Å; S358-M360 VanDerWaalsContact C-N 3.27Å
359	A	95.4	Very high	95.9	Very high	45 Å²	45	66.3 Å²	66.3	37%	0.372	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-74.4	-19.9	175.7	0	0	0	0	0	112.3	F328 I355 K356 R357 P361	F328-A359 HydrophobicContact CB-CB 4.33Å; I355-A359 HydrophobicContact CB-CB 4.38Å; I355-A359 HydrophobicContact CG2-CB 4.49Å; K356-A359 WeakPolarHBondContact O-CB 3.35Å; K356-A359 PolarHBondContact O-N 2.82Å; R357-A359 PolarHBondContact O-N 3.46Å; A359-P361 WeakPolarHBondContact O-CD 3.38Å
360	M	95.7	Very high	95.7	Very high	49 Å²	49	67.2 Å²	67.2	24%	0.241	38%	0.377	C	S	.	.	S	Bend	trans	-74.1	124	176.7	-172.9	173	69.3	0	0	110	F328 R357 S358 A364 I374 I376	F328-M360 HydrophobicContact CD1-CB 4.4Å; F328-M360 HydrophobicContact CD1-CG 4.12Å; F328-M360 HydrophobicContact CD2-CB 4.35Å; F328-M360 HydrophobicContact CD2-CG 4.46Å; F328-M360 HydrophobicContact CE1-CG 3.86Å; F328-M360 HydrophobicContact CE1-SD 4.5Å; F328-M360 HydrophobicContact CE2-CG 4.19Å; F328-M360 HydrophobicContact CE2-SD 4.21Å; F328-M360 HydrophobicContact CG-CB 4.3Å; F328-M360 HydrophobicContact CG-CG 4.43Å; F328-M360 HydrophobicContact CZ-CG 3.9Å; F328-M360 HydrophobicContact CZ-SD 3.98Å; R357-M360 PolarHBondContact O-N 3.41Å; S358-M360 VanDerWaalsContact C-N 3.27Å; M360-A364 HydrophobicContact CG-CB 3.61Å; M360-A364 HydrophobicContact SD-CB 4.09Å; M360-I374 HydrophobicContact SD-CD1 4.11Å; M360-I376 HydrophobicContact CB-CD1 4.22Å; M360-I376 HydrophobicContact SD-CD1 4.44Å
361	P	94.5	Very high	95.6	Very high	44 Å²	44	68.6 Å²	68.6	29%	0.286	39%	0.388	S	S	.	.			trans	-58.5	146.5	176.7	-25.6	35.6	0	0	0	112.7	A359 D363 A364	A359-P361 WeakPolarHBondContact O-CD 3.38Å; P361-D363 WeakPolarHBondContact CB-OD1 3.05Å; P361-D363 PolarHBondContact O-N 3.01Å; P361-A364 WeakPolarHBondContact O-CB 3.25Å; P361-A364 PolarHBondContact O-N 3.31Å
362	A	93.5	Very high	95.5	Very high	107 Å²	107	71.4 Å²	71.4	88%	0.884	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.1	-179.8	0	0	0	0	0	113.3
363	D	92.7	Very high	95.4	Very high	97 Å²	97	71.8 Å²	71.8	52%	0.519	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	0.9	177.8	64.8	-25.6	0	0	0	113.6	P361 P365 L366	P361-D363 WeakPolarHBondContact CB-OD1 3.05Å; P361-D363 PolarHBondContact O-N 3.01Å; D363-P365 VanDerWaalsContact C-N 3.26Å; D363-P365 VanDerWaalsContact O-N 3.16Å; D363-L366 HydrophobicContact CB-CD1 4.04Å; D363-L366 HydrophobicContact CB-CG 4.49Å; D363-L366 VanDerWaalsContact O-CB 3.25Å; D363-L366 WeakPolarHBondContact O-CB 3.25Å; D363-L366 WeakPolarHBondContact O-CG 3.5Å; D363-L366 PolarHBondContact O-N 3.44Å
364	A	95.2	Very high	95.2	Very high	1 Å²	1	72.4 Å²	72.4	1%	0.008	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-50.5	-37.1	175.1	0	0	0	0	0	114.2	I330 M360 P361 L366 C367 L368	I330-A364 HydrophobicContact CD1-CB 3.84Å; M360-A364 HydrophobicContact CG-CB 3.61Å; M360-A364 HydrophobicContact SD-CB 4.09Å; P361-A364 WeakPolarHBondContact O-CB 3.25Å; P361-A364 PolarHBondContact O-N 3.31Å; A364-L366 PolarHBondContact O-N 3Å; A364-L366 VanDerWaalsContact O-N 3.11Å; A364-C367 PolarHBondContact O-N 3.06Å; A364-L368 PolarHBondContact O-N 2.73Å
365	P	95.1	Very high	95	Very high	77 Å²	77	70.9 Å²	70.9	50%	0.5	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-59.6	-18.8	174.5	-26	36.6	0	0	0	114.9	D363 C367 R369	D363-P365 VanDerWaalsContact C-N 3.26Å; D363-P365 VanDerWaalsContact O-N 3.16Å; P365-C367 VanDerWaalsContact C-N 3.28Å; P365-C367 PolarHBondContact O-N 3.19Å; P365-R369 WeakPolarHBondContact O-CA 3.42Å; P365-R369 WeakPolarHBondContact O-CG 3.38Å; P365-R369 PolarHBondContact O-N 3.31Å
366	L	96.1	Very high	94.8	Very high	102 Å²	102	72.6 Å²	72.6	53%	0.534	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-65.3	-33.3	174.4	-65.8	179.2	0	0	0	112.2	V337 D363 A364 R369	V337-L366 HydrophobicContact CG1-CB 4.04Å; V337-L366 WeakPolarHBondContact CG1-O 3.28Å; D363-L366 HydrophobicContact CB-CD1 4.04Å; D363-L366 HydrophobicContact CB-CG 4.49Å; D363-L366 VanDerWaalsContact O-CB 3.25Å; D363-L366 WeakPolarHBondContact O-CB 3.25Å; D363-L366 WeakPolarHBondContact O-CG 3.5Å; D363-L366 PolarHBondContact O-N 3.44Å; A364-L366 PolarHBondContact O-N 3Å; A364-L366 VanDerWaalsContact O-N 3.11Å; L366-R369 WeakPolarHBondContact O-CG 3.37Å; L366-R369 PolarHBondContact O-NE 3.3Å; L366-R369 PolarHBondContact O-NH2 3.27Å
367	C	97.7	Very high	94.8	Very high	1 Å²	1	68.2 Å²	68.2	1%	0.007	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-46.6	175.2	165.9	0	0	0	0	111.8	I330 C334 V337 S343 A364 P365 R369	I330-C367 HydrophobicContact CD1-CB 3.82Å; I330-C367 HydrophobicContact CG1-CB 3.81Å; C334-C367 HydrophobicContact CB-CB 3.87Å; C334-C367 WeakPolarHBondContact CB-SG 3.03Å; C334-C367 WeakPolarHBondContact SG-CB 3.33Å; C334-C367 CovalentContact SG-SG 2.03Å; C334-C367 PolarHBondContact SG-SG 2.79Å; V337-C367 HydrophobicContact CG2-CB 3.83Å; S343-C367 PolarHBondContact N-O 2.81Å; A364-C367 PolarHBondContact O-N 3.06Å; P365-C367 VanDerWaalsContact C-N 3.28Å; P365-C367 PolarHBondContact O-N 3.19Å; C367-R369 VanDerWaalsContact C-N 3.31Å; C367-R369 PolarHBondContact O-N 3.08Å
368	L	97.4	Very high	94.9	Very high	7 Å²	7	62.3 Å²	62.3	4%	0.037	37%	0.372	C	S	.	.			trans	-91.8	53.2	-177.5	-60.9	178.6	0	0	0	111.8	F328 I330 F333 L345 L348 A364 L370 A371 I374	F328-L368 HydrophobicContact CZ-CD1 3.93Å; I330-L368 HydrophobicContact CD1-CD1 4.24Å; I330-L368 HydrophobicContact CD1-CG 4.11Å; F333-L368 HydrophobicContact CB-CD2 3.93Å; F333-L368 HydrophobicContact CD1-CD2 4Å; F333-L368 HydrophobicContact CD2-CD1 4.41Å; F333-L368 HydrophobicContact CD2-CD2 4.12Å; F333-L368 HydrophobicContact CE2-CD1 4.41Å; F333-L368 HydrophobicContact CG-CD2 3.76Å; L345-L368 HydrophobicContact CB-CD2 4.26Å; L345-L368 HydrophobicContact CD2-CD2 4.12Å; L348-L368 HydrophobicContact CD2-CD1 4.39Å; A364-L368 PolarHBondContact O-N 2.73Å; L368-L370 VanDerWaalsContact C-N 3.3Å; L368-L370 PolarHBondContact O-N 2.85Å; L368-A371 HydrophobicContact CB-CB 4.17Å; L368-A371 PolarHBondContact O-N 2.83Å; L368-I374 HydrophobicContact CD1-CD1 4.14Å
369	R	95.6	Very high	95	Very high	99 Å²	99	59.6 Å²	59.6	37%	0.374	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-30.6	-170.3	-69.4	-178.8	-169.3	166.1	8.3	114.5	D338 V339 F342 P365 L366 C367	D338-R369 PolarHBondContact O-NH1 3.26Å; D338-R369 PolarHBondContact O-NH2 3.33Å; V339-R369 PolarHBondContact O-NH1 2.92Å; F342-R369 HydrophobicContact CB-CG 4.46Å; F342-R369 HydrophobicContact CD2-CB 4.14Å; F342-R369 HydrophobicContact CD2-CG 4.41Å; F342-R369 HydrophobicContact CG-CG 4.47Å; P365-R369 WeakPolarHBondContact O-CA 3.42Å; P365-R369 WeakPolarHBondContact O-CG 3.38Å; P365-R369 PolarHBondContact O-N 3.31Å; L366-R369 WeakPolarHBondContact O-CG 3.37Å; L366-R369 PolarHBondContact O-NE 3.3Å; L366-R369 PolarHBondContact O-NH2 3.27Å; C367-R369 VanDerWaalsContact C-N 3.31Å; C367-R369 PolarHBondContact O-N 3.08Å
370	L	95.9	Very high	94.9	Very high	88 Å²	88	60.4 Å²	60.4	46%	0.461	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	1.1	-174.8	-56.6	-170.9	0	0	0	113	F342 K344 L345 L368 S372	F342-L370 HydrophobicContact CE2-CD1 4.28Å; F342-L370 HydrophobicContact CE2-CG 4.21Å; K344-L370 HydrophobicContact CB-CD1 4.31Å; K344-L370 HydrophobicContact CG-CD1 4.41Å; L345-L370 CarbonylContact O-C 3.57Å; L368-L370 VanDerWaalsContact C-N 3.3Å; L368-L370 PolarHBondContact O-N 2.85Å; L370-S372 PolarHBondContact O-N 3.02Å; L370-S372 VanDerWaalsContact O-N 3.11Å
371	A	95.7	Very high	94.9	Very high	28 Å²	28	61.1 Å²	61.1	23%	0.231	36%	0.355	C	S	.	.			trans	-68.8	111.4	-176.5	0	0	0	0	0	110.3	L345 Q346 L368 I374	L345-A371 VanDerWaalsContact O-CA 3.23Å; L345-A371 WeakPolarHBondContact O-CA 3.43Å; L345-A371 PolarHBondContact O-N 3.03Å; Q346-A371 CarbonylContact O-C 3.25Å; Q346-A371 WeakPolarHBondContact O-CA 3.42Å; L368-A371 HydrophobicContact CB-CB 4.17Å; L368-A371 PolarHBondContact O-N 2.83Å; A371-I374 HydrophobicContact CB-CD1 3.82Å; A371-I374 HydrophobicContact CB-CG1 3.88Å
372	S	94.4	Very high	94.9	Very high	101 Å²	101	62.3 Å²	62.3	71%	0.706	36%	0.36	S	S	*	.	S	Bend	trans	-89.9	-26.7	176.1	61.8	0	0	0	0	111.8	Q346 L370	Q346-S372 PolarHBondContact O-N 2.95Å; Q346-S372 PolarHBondContact O-OG 2.75Å; L370-S372 PolarHBondContact O-N 3.02Å; L370-S372 VanDerWaalsContact O-N 3.11Å
373	L	94.7	Very high	95	Very high	70 Å²	70	59.1 Å²	59.1	37%	0.366	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	118.8	178.9	-177.6	62	0	0	0	110.7	Q346 V347 L348 E375	Q346-L373 PolarHBondContact O-N 3.26Å; Q346-L373 VanDerWaalsContact O-N 3.14Å; V347-L373 WeakPolarHBondContact CA-O 3.34Å; V347-L373 HydrophobicContact CG1-CB 4.42Å; V347-L373 HydrophobicContact CG1-CD2 4.08Å; V347-L373 HydrophobicContact CG1-CG 4.48Å; V347-L373 HydrophobicContact CG2-CB 4.38Å; L348-L373 PolarHBondContact N-O 3.25Å; L373-E375 HydrophobicContact CD1-CG 3.82Å; L373-E375 HydrophobicContact CG-CG 4.11Å
374	I	94.4	Very high	95.2	Very high	35 Å²	35	56.2 Å²	56.2	18%	0.179	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	107.5	168.5	-55	-179.9	0	0	0	107.8	L348 M360 L368 A371 I376	L348-I374 HydrophobicContact CB-CG1 4.32Å; L348-I374 HydrophobicContact CB-CG2 4.43Å; L348-I374 HydrophobicContact CD2-CG2 4.2Å; L348-I374 HydrophobicContact CG-CG2 4.44Å; L348-I374 WeakPolarHBondContact O-CA 3.32Å; M360-I374 HydrophobicContact SD-CD1 4.11Å; L368-I374 HydrophobicContact CD1-CD1 4.14Å; A371-I374 HydrophobicContact CB-CD1 3.82Å; A371-I374 HydrophobicContact CB-CG1 3.88Å; I374-I376 HydrophobicContact CG2-CD1 4.04Å; I374-I376 HydrophobicContact CG2-CG1 3.94Å
375	E	94	Very high	95.2	Very high	70 Å²	70	60.8 Å²	60.8	33%	0.327	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125	173.8	-64.4	-173.8	175.5	0	0	109	L348 R349 L350 D351 L373	L348-E375 PolarHBondContact O-N 2.76Å; R349-E375 IonicContact CZ-OE2 3.28Å; R349-E375 IonicContact NE-OE2 3.8Å; R349-E375 PolarHBondContact NE-OE2 3.37Å; R349-E375 IonicContact NH2-OE2 2.71Å; R349-E375 PolarHBondContact NH2-OE2 3.11Å; L350-E375 WeakPolarHBondContact CA-O 3.26Å; L350-E375 WeakPolarHBondContact CB-O 3.19Å; L350-E375 PolarHBondContact N-O 2.89Å; D351-E375 HydrophobicContact CB-CB 4.46Å; D351-E375 PolarHBondContact N-O 3.28Å; L373-E375 HydrophobicContact CD1-CG 3.82Å; L373-E375 HydrophobicContact CG-CG 4.11Å
376	I	91.1	Very high	95.2	Very high	51 Å²	51	59.3 Å²	59.3	26%	0.262	32%	0.317	S	S	.	.			trans	-129.6	0	178.9	-59.4	174.7	0	0	0	108.8	F328 L350 D351 I355 M360 I374	F328-I376 HydrophobicContact CD2-CD1 4.25Å; F328-I376 HydrophobicContact CE2-CD1 4.29Å; L350-I376 HydrophobicContact CB-CG1 4.34Å; L350-I376 HydrophobicContact CD1-CG1 4.44Å; D351-I376 WeakPolarHBondContact CA-OXT 3.42Å; I355-I376 HydrophobicContact CD1-CG2 3.87Å; I355-I376 HydrophobicContact CG1-CG2 3.86Å; M360-I376 HydrophobicContact CB-CD1 4.22Å; M360-I376 HydrophobicContact SD-CD1 4.44Å; I374-I376 HydrophobicContact CG2-CD1 4.04Å; I374-I376 HydrophobicContact CG2-CG1 3.94Å

Retrieved 376 of 376 residues in 1027.9 ms (Link to these results)

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