A0A060XXQ6_ONCMY Loading...

15-oxoprostaglandin 13-reductase

AlphaFold DB , UniProt , Accession A0A060XXQ6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110518336, Length 403 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.4	Very low	26.5	Very low	244 Å²	244	162.6 Å²	162.6	100%	1.202	86%	0.863	S	S	*	*				0	115.5	0	-70.4	176.9	168.8	0	0	106.6
2	S	27.3	Very low	26.6	Very low	103 Å²	103	168.8 Å²	168.8	72%	0.72	87%	0.865	S	S	*	*			cis	-156.6	119.2	5.2	-70.2	0	0	0	0	105.4
3	T	24.6	Very low	26.6	Very low	137 Å²	137	166.2 Å²	166.2	84%	0.84	86%	0.862	S	S	*	*				34.4	118.3	108.2	52.8	0	0	0	0	116.9
4	S	25.2	Very low	26.6	Very low	120 Å²	120	167.9 Å²	167.9	84%	0.839	86%	0.86	S	S	*	*				-152.5	122.3	127	62.4	0	0	0	0	111.8
5	F	24.3	Very low	26.3	Very low	182 Å²	182	163.2 Å²	163.2	80%	0.798	85%	0.848	S	S	*	*			trans	-74.7	150.1	164.5	-103.5	-108.1	0	0	0	109.5	L7	F5-L7 HydrophobicContact CD1-CD1 4.38Å
6	L	26.5	Very low	26.5	Very low	175 Å²	175	162.5 Å²	162.5	92%	0.916	84%	0.844	S	S	*	*			trans	-153.3	105.2	148.9	-105.2	157.7	0	0	0	110.1
7	L	24.9	Very low	26.7	Very low	136 Å²	136	162.1 Å²	162.1	71%	0.712	84%	0.841	S	S	*	*			trans	-73.6	141.2	161	-91.4	139	0	0	0	109.7	F5	F5-L7 HydrophobicContact CD1-CD1 4.38Å
8	R	25.7	Very low	26.6	Very low	250 Å²	250	157.1 Å²	157.1	94%	0.943	84%	0.836	S	S	*	*			trans	-161	131.7	138.3	-115	175.3	-176.7	-165.4	0.9	113.2
9	N	28.2	Very low	26.6	Very low	164 Å²	164	153.1 Å²	153.1	88%	0.877	84%	0.835	S	S	*	*			trans	-58	157.6	176.7	-78.7	-32.7	0	0	0	114.8
10	G	25.9	Very low	26.7	Very low	73 Å²	73	151.9 Å²	151.9	75%	0.753	83%	0.833	S	S	*	*			trans	176.1	89.4	157.2	0	0	0	0	0	114.8
11	K	28.8	Very low	26.7	Very low	205 Å²	205	150.9 Å²	150.9	89%	0.891	84%	0.835	S	S	*	*			trans	-52.5	137.6	165	-70.6	175.9	173.3	178.5	0	110.8
12	R	27.5	Very low	26.6	Very low	236 Å²	236	151 Å²	151	89%	0.891	82%	0.822	S	S	*	*			trans	-133.2	115.7	155.1	-82.4	-169.7	-176	-178.8	2.2	110.9
13	V	26.5	Very low	26.7	Very low	136 Å²	136	149.8 Å²	149.8	82%	0.824	83%	0.826	S	S	*	*			trans	-79.7	129.2	164.7	171.6	0	0	0	0	107
14	F	26.8	Very low	27	Very low	190 Å²	190	149.7 Å²	149.7	83%	0.833	83%	0.826	S	S	*	*			trans	-85.4	115.8	169.6	-93.2	-88.1	0	0	0	109.5
15	S	22.4	Very low	27.2	Very low	97 Å²	97	151.9 Å²	151.9	68%	0.678	83%	0.828	S	S	*	*			trans	-98.5	128	161.9	169.5	0	0	0	0	107
16	I	28.4	Very low	27.5	Very low	152 Å²	152	147.2 Å²	147.2	78%	0.779	82%	0.823	S	S	*	*			trans	-116.5	117.1	167.1	-66	179.1	0	0	0	107.5
17	I	30.2	Very low	27.6	Very low	155 Å²	155	147 Å²	147	80%	0.795	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-75.8	124.9	174.1	-67.5	167	0	0	0	108
18	G	25.7	Very low	27.8	Very low	73 Å²	73	145.1 Å²	145.1	75%	0.753	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-83.2	121.6	172.3	0	0	0	0	0	111.6
19	G	26	Very low	28	Very low	80 Å²	80	144.4 Å²	144.4	83%	0.825	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-95.1	133.1	167.1	0	0	0	0	0	110.9
20	V	27.8	Very low	28.1	Very low	129 Å²	129	142.6 Å²	142.6	78%	0.782	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-77.5	132.8	-173.7	172.6	0	0	0	0	111.6
21	C	27.6	Very low	28.2	Very low	131 Å²	131	146.6 Å²	146.6	89%	0.885	82%	0.816	S	S	*	*			trans	-131.2	127.5	153.8	-98.4	0	0	0	0	109.3
22	R	29	Very low	28.2	Very low	246 Å²	246	146.6 Å²	146.6	93%	0.928	82%	0.816	S	S	*	*			trans	-76.1	133.8	-179.1	-71.4	178.5	179.3	-173.7	-0.5	110.7
23	G	28.2	Very low	28.4	Very low	78 Å²	78	142.2 Å²	142.2	80%	0.804	81%	0.809	S	S	*	*			trans	-152	115.9	162.3	0	0	0	0	0	107.5
24	T	31.4	Very low	28.7	Very low	135 Å²	135	140.9 Å²	140.9	83%	0.828	81%	0.806	S	S	*	*			trans	-68.3	134.5	-178.8	45.1	0	0	0	0	111.1
25	D	29.5	Very low	28.9	Very low	167 Å²	167	142.2 Å²	142.2	89%	0.893	81%	0.805	S	S	*	*			trans	-164.2	155.5	134.2	-109.1	-24.3	0	0	0	113.5
26	A	29.8	Very low	29.3	Very low	84 Å²	84	148.3 Å²	148.3	69%	0.694	81%	0.814	S	S	*	*			trans	-73	165.1	-156.2	0	0	0	0	0	116.5
27	L	29.9	Very low	29.5	Very low	169 Å²	169	150.1 Å²	150.1	89%	0.885	82%	0.816	S	S	*	*			trans	114.4	97.5	155.1	-67.7	157.4	0	0	0	116.3
28	S	27.6	Very low	29.7	Very low	97 Å²	97	149.8 Å²	149.8	68%	0.678	81%	0.814	S	S	*	*			trans	-64.9	155.6	168	55.8	0	0	0	0	114.4
29	R	31.1	Very low	30.4	Very low	235 Å²	235	151.4 Å²	151.4	89%	0.887	81%	0.81	S	S	*	*			trans	96.6	85.8	154.2	-55.9	-174.8	-174.4	-153	-0.2	117.2
30	V	29.2	Very low	31	Very low	127 Å²	127	151.8 Å²	151.8	77%	0.77	79%	0.793	S	S	*	*			trans	-134.2	115.5	140.9	-174.6	0	0	0	0	107.9	F32	V30-F32 PolarHBondContact O-N 2.85Å
31	N	29.6	Very low	31.7	Very low	156 Å²	156	151.9 Å²	151.9	83%	0.834	79%	0.788	S	S	*	*			trans	-63.2	114.8	171.8	-86.3	-21.4	0	0	0	109.1	I33	N31-I33 PolarHBondContact O-N 2.82Å; N31-I33 VanDerWaalsContact O-N 3.1Å
32	F	28.1	Very low	32.2	Very low	205 Å²	205	149 Å²	149	90%	0.899	77%	0.769	S	S	*	*			trans	-74.6	96.4	165.4	-85	-87.7	0	0	0	108.7	V30 S34	V30-F32 PolarHBondContact O-N 2.85Å; F32-S34 PolarHBondContact O-N 3.42Å
33	I	31.7	Very low	32.9	Very low	144 Å²	144	144.8 Å²	144.8	74%	0.738	76%	0.755	S	S	*	*			trans	-68.2	113.5	163.2	-61.9	174.6	0	0	0	106.5	N31 R35	N31-I33 PolarHBondContact O-N 2.82Å; N31-I33 VanDerWaalsContact O-N 3.1Å; I33-R35 PolarHBondContact O-N 2.71Å
34	S	32.2	Very low	33.7	Very low	108 Å²	108	144.5 Å²	144.5	76%	0.755	74%	0.74	S	S	*	*			trans	-58.6	102	169.3	179.5	0	0	0	0	108.8	F32 R36	F32-S34 PolarHBondContact O-N 3.42Å; S34-R36 PolarHBondContact O-N 2.99Å; S34-R36 VanDerWaalsContact O-N 3.12Å
35	R	32.4	Very low	34.1	Very low	218 Å²	218	142 Å²	142	82%	0.823	73%	0.725	S	S	*	*			trans	-72.6	102.2	169.3	-73.8	-172.4	179.3	-161.5	0.2	107.1	I33 F37	I33-R35 PolarHBondContact O-N 2.71Å; R35-F37 PolarHBondContact O-N 2.91Å; R35-F37 VanDerWaalsContact O-N 3.17Å
36	R	30.7	Very low	34.6	Very low	225 Å²	225	142.2 Å²	142.2	85%	0.849	72%	0.72	S	S	*	*			trans	-59.8	115.8	161.2	-76.3	-177.4	176.6	175.9	-1	107.3	S34 I38	S34-R36 PolarHBondContact O-N 2.99Å; S34-R36 VanDerWaalsContact O-N 3.12Å; R36-I38 VanDerWaalsContact C-N 3.32Å; R36-I38 PolarHBondContact O-N 2.99Å
37	F	32.2	Very low	35.4	Very low	190 Å²	190	143.2 Å²	143.2	83%	0.833	71%	0.709	S	S	*	*			trans	-68.3	97.2	163.4	-73.8	-88.3	0	0	0	107.1	R35 V39	R35-F37 PolarHBondContact O-N 2.91Å; R35-F37 VanDerWaalsContact O-N 3.17Å; F37-V39 VanDerWaalsContact C-N 3.29Å; F37-V39 PolarHBondContact O-N 2.81Å
38	I	34.1	Very low	36.2	Very low	148 Å²	148	140.8 Å²	140.8	76%	0.759	70%	0.695	S	S	*	*			trans	-74.5	97	156.9	-63	172.3	0	0	0	104	R36 D40	R36-I38 VanDerWaalsContact C-N 3.32Å; R36-I38 PolarHBondContact O-N 2.99Å; I38-D40 HydrophobicContact CG2-CB 4.31Å; I38-D40 PolarHBondContact O-N 3.29Å
39	V	40.4	Very low	36.9	Very low	108 Å²	108	141.1 Å²	141.1	66%	0.655	69%	0.689	S	S	*	*			trans	-73.5	91.4	162.2	-177.5	0	0	0	0	104.9	F37 L41	F37-V39 VanDerWaalsContact C-N 3.29Å; F37-V39 PolarHBondContact O-N 2.81Å; V39-L41 HydrophobicContact CG1-CD2 3.98Å; V39-L41 HydrophobicContact CG1-CG 4.06Å; V39-L41 PolarHBondContact O-N 2.92Å; V39-L41 VanDerWaalsContact O-N 3.08Å
40	D	37.8	Very low	37.8	Very low	88 Å²	88	133.2 Å²	133.2	47%	0.471	66%	0.661	S	S	.	*			trans	-72.3	97.5	170.9	-171.8	-1.4	0	0	0	108.4	I38 S42 Y43	I38-D40 HydrophobicContact CG2-CB 4.31Å; I38-D40 PolarHBondContact O-N 3.29Å; D40-S42 PolarHBondContact O-N 3.27Å; D40-S42 WeakPolarHBondContact OD1-CB 3.42Å; D40-S42 PolarHBondContact OD1-N 3.08Å; D40-S42 PolarHBondContact OD1-OG 3.4Å; D40-S42 PolarHBondContact OD2-OG 3.38Å; D40-S42 VanDerWaalsContact OD2-OG 3.06Å; D40-Y43 PolarHBondContact O-N 3.31Å
41	L	42.3	Very low	38.3	Very low	131 Å²	131	136.7 Å²	136.7	69%	0.686	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-0.7	174.8	-70.1	168.7	0	0	0	112.4	V39 Y43 S44	V39-L41 HydrophobicContact CG1-CD2 3.98Å; V39-L41 HydrophobicContact CG1-CG 4.06Å; V39-L41 PolarHBondContact O-N 2.92Å; V39-L41 VanDerWaalsContact O-N 3.08Å; L41-Y43 PolarHBondContact O-N 3.06Å; L41-S44 PolarHBondContact O-OG 3.46Å
42	S	39.4	Very low	39	Very low	70 Å²	70	132.7 Å²	132.7	49%	0.49	66%	0.661	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74	-11.6	171	76.2	0	0	0	0	113	D40 S44 T45	D40-S42 PolarHBondContact O-N 3.27Å; D40-S42 WeakPolarHBondContact OD1-CB 3.42Å; D40-S42 PolarHBondContact OD1-N 3.08Å; D40-S42 PolarHBondContact OD1-OG 3.4Å; D40-S42 PolarHBondContact OD2-OG 3.38Å; D40-S42 VanDerWaalsContact OD2-OG 3.06Å; S42-S44 VanDerWaalsContact C-N 3.34Å; S42-T45 PolarHBondContact O-OG1 2.79Å
43	Y	44.2	Very low	40.4	Very low	158 Å²	158	125 Å²	125	62%	0.62	63%	0.633	S	S	*	*	H	α-helix	trans	-76.1	-17.9	176.8	-122.8	-91.9	0	0	0	114	D40 L41 F47	D40-Y43 PolarHBondContact O-N 3.31Å; L41-Y43 PolarHBondContact O-N 3.06Å; Y43-F47 HydrophobicContact CD1-CD2 4.42Å; Y43-F47 HydrophobicContact CD1-CE2 4.44Å; Y43-F47 HydrophobicContact CE1-CE2 4.3Å
44	S	43.2	Very low	42.3	Very low	71 Å²	71	121.4 Å²	121.4	50%	0.497	62%	0.621	S	S	.	*	H	α-helix	trans	-77.9	-23	-179.4	58.7	0	0	0	0	113	L41 S42	L41-S44 PolarHBondContact O-OG 3.46Å; S42-S44 VanDerWaalsContact C-N 3.34Å
45	T	39.8	Very low	44.9	Very low	84 Å²	84	117.2 Å²	117.2	52%	0.515	59%	0.59	S	S	.	*	H	α-helix	trans	-78.7	-30.2	175.8	47	0	0	0	0	112.3	S42 D49	S42-T45 PolarHBondContact O-OG1 2.79Å; T45-D49 WeakPolarHBondContact O-CB 3.39Å; T45-D49 PolarHBondContact O-N 2.73Å
46	H	40.7	Very low	47.6	Very low	171 Å²	171	108.6 Å²	108.6	79%	0.792	56%	0.562	S	S	*	*	H	α-helix	trans	-74.6	-22	177.2	-86.4	8	0	0	0	114.9
47	F	47.5	Very low	50.5	Low	104 Å²	104	103 Å²	103	46%	0.456	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.5	-9.5	175.6	-94.5	-89.2	0	0	0	114.2	Y43	Y43-F47 HydrophobicContact CD1-CD2 4.42Å; Y43-F47 HydrophobicContact CD1-CE2 4.44Å; Y43-F47 HydrophobicContact CE1-CE2 4.3Å
48	M	46.1	Very low	53.5	Low	118 Å²	118	96.5 Å²	96.5	58%	0.581	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.8	-0.2	-174	-68.4	-143	151.4	0	0	115.1	F50	M48-F50 PolarHBondContact O-N 2.69Å
49	D	42.8	Very low	56.5	Low	105 Å²	105	89.8 Å²	89.8	56%	0.561	50%	0.501	S	S	*	.			trans	-79.2	74.1	177.5	-143.9	0.5	0	0	0	111.5	T45 K51 G52	T45-D49 WeakPolarHBondContact O-CB 3.39Å; T45-D49 PolarHBondContact O-N 2.73Å; D49-K51 PolarHBondContact O-N 2.85Å; D49-K51 WeakPolarHBondContact OD1-CB 3.1Å; D49-G52 PolarHBondContact O-N 3.2Å; D49-G52 VanDerWaalsContact O-N 3.13Å
50	F	49.4	Very low	59.2	Low	68 Å²	68	88 Å²	88	30%	0.298	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-7.7	167.1	-83.6	-94.2	0	0	0	112.8	M48 G52 S53 I55 T84 L91	M48-F50 PolarHBondContact O-N 2.69Å; F50-G52 VanDerWaalsContact C-N 3.26Å; F50-G52 PolarHBondContact O-N 2.94Å; F50-S53 PolarHBondContact O-OG 3.33Å; F50-I55 HydrophobicContact CD1-CB 4.31Å; F50-I55 HydrophobicContact CD1-CD1 3.99Å; F50-I55 HydrophobicContact CD1-CG2 4.42Å; F50-I55 HydrophobicContact CE1-CB 4.4Å; F50-I55 HydrophobicContact CE1-CD1 3.5Å; F50-I55 HydrophobicContact CE1-CG2 4.23Å; F50-I55 HydrophobicContact CZ-CD1 4.37Å; F50-T84 HydrophobicContact CE2-CG2 3.93Å; F50-T84 HydrophobicContact CZ-CG2 4.44Å; F50-L91 HydrophobicContact CE1-CD2 4.16Å; F50-L91 HydrophobicContact CZ-CD2 4.31Å
51	K	39.5	Very low	62.1	Low	200 Å²	200	85.5 Å²	85.5	87%	0.87	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-4.1	174.8	-67.2	-175.9	173.2	-179.8	0	114	D49	D49-K51 PolarHBondContact O-N 2.85Å; D49-K51 WeakPolarHBondContact OD1-CB 3.1Å
52	G	43.9	Very low	64.8	Low	72 Å²	72	79.3 Å²	79.3	74%	0.742	44%	0.437	S	S	*	.	S	Bend	trans	-122.5	0.8	168.9	0	0	0	0	0	114.3	D49 F50	D49-G52 PolarHBondContact O-N 3.2Å; D49-G52 VanDerWaalsContact O-N 3.13Å; F50-G52 VanDerWaalsContact C-N 3.26Å; F50-G52 PolarHBondContact O-N 2.94Å
53	S	57.5	Low	67.6	Low	44 Å²	44	76.1 Å²	76.1	31%	0.308	42%	0.415	S	S	.	.	S	Bend	trans	-82.5	145.8	178.1	72.5	0	0	0	0	110.3	F50 I55	F50-S53 PolarHBondContact O-OG 3.33Å; S53-I55 PolarHBondContact O-N 3.11Å
54	S	72.8	Confident	70.2	Confident	68 Å²	68	68.7 Å²	68.7	48%	0.476	39%	0.385	S	S	.	.	S	Bend	trans	-68.9	6.4	172.8	46.8	0	0	0	0	113.2	L399	S54-L399 VanDerWaalsContact C-CD2 3.46Å; S54-L399 WeakPolarHBondContact O-CD2 3.15Å; S54-L399 WeakPolarHBondContact OG-CD2 3.43Å
55	I	86.3	Confident	72.8	Confident	20 Å²	20	68.4 Å²	68.4	10%	0.103	38%	0.381	C	S	.	.			trans	-77.8	126.5	-179.2	-56.3	170.9	0	0	0	108.5	F50 S53 V82 L91 V130 Y157	F50-I55 HydrophobicContact CD1-CB 4.31Å; F50-I55 HydrophobicContact CD1-CD1 3.99Å; F50-I55 HydrophobicContact CD1-CG2 4.42Å; F50-I55 HydrophobicContact CE1-CB 4.4Å; F50-I55 HydrophobicContact CE1-CD1 3.5Å; F50-I55 HydrophobicContact CE1-CG2 4.23Å; F50-I55 HydrophobicContact CZ-CD1 4.37Å; S53-I55 PolarHBondContact O-N 3.11Å; I55-V82 HydrophobicContact CG2-CB 4.47Å; I55-V82 HydrophobicContact CG2-CG1 3.86Å; I55-V82 HydrophobicContact CG2-CG2 4.49Å; I55-L91 HydrophobicContact CD1-CD2 4.3Å; I55-L91 HydrophobicContact CG2-CD2 4.49Å; I55-V130 HydrophobicContact CD1-CB 4.2Å; I55-V130 HydrophobicContact CD1-CG2 4.2Å; I55-V130 WeakPolarHBondContact CD1-O 3.37Å; I55-V130 HydrophobicContact CG1-CB 4.38Å; I55-V130 HydrophobicContact CG1-CG2 4.49Å; I55-Y157 HydrophobicContact CG2-CE1 4.36Å
56	P	89.9	Confident	75.6	Confident	37 Å²	37	70.4 Å²	70.4	24%	0.24	38%	0.382	C	S	.	.			trans	-67.1	153.7	-178.4	29.1	-35.1	0	0	0	111.7	S58 V82 Y157	P56-S58 VanDerWaalsContact C-N 3.25Å; P56-S58 WeakPolarHBondContact CB-O 3.49Å; P56-S58 PolarHBondContact O-N 3.4Å; P56-V82 HydrophobicContact CG-CG2 4.25Å; P56-V82 WeakPolarHBondContact O-CG2 3.06Å; P56-Y157 VanDerWaalsContact CD-OH 3.23Å; P56-Y157 WeakPolarHBondContact CD-OH 3.33Å; P56-Y157 HydrophobicContact CG-CE2 3.85Å
57	S	90.8	Very high	78.3	Confident	107 Å²	107	65.8 Å²	65.8	75%	0.748	36%	0.363	S	S	*	.	S	Bend	trans	-71	-21.9	176.2	56.3	0	0	0	0	113.2	P81 V82	S57-P81 WeakPolarHBondContact O-CA 3.32Å; S57-V82 PolarHBondContact O-N 3.09Å
58	S	94.9	Very high	80.7	Confident	54 Å²	54	61.7 Å²	61.7	38%	0.378	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.6	178.2	64.4	0	0	0	0	111.8	P56 V80	P56-S58 VanDerWaalsContact C-N 3.25Å; P56-S58 WeakPolarHBondContact CB-O 3.49Å; P56-S58 PolarHBondContact O-N 3.4Å; S58-V80 CarbonylContact C-O 3.54Å; S58-V80 WeakPolarHBondContact CA-O 3.43Å; S58-V80 WeakPolarHBondContact CB-O 3.41Å
59	M	96.4	Very high	83.1	Confident	8 Å²	8	58.8 Å²	58.8	4%	0.039	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	164.5	177	63.4	174	-164.6	0	0	111.4	K61 T79 V80 V82 P83 A155 E156 Y157	M59-K61 HydrophobicContact CE-CD 4.28Å; M59-T79 CarbonylContact O-C 3.53Å; M59-T79 VanDerWaalsContact O-CA 3.3Å; M59-T79 WeakPolarHBondContact O-CA 3.46Å; M59-V80 HydrophobicContact CE-CG2 3.77Å; M59-V80 HydrophobicContact CG-CG2 3.91Å; M59-V80 PolarHBondContact N-O 2.98Å; M59-V80 PolarHBondContact O-N 3.09Å; M59-V82 HydrophobicContact CB-CG2 3.75Å; M59-V82 HydrophobicContact CG-CG2 3.92Å; M59-V82 HydrophobicContact SD-CG2 4.21Å; M59-P83 VanDerWaalsContact CE-CD 3.44Å; M59-P83 HydrophobicContact CE-CG 4.14Å; M59-A155 HydrophobicContact CE-CB 4.42Å; M59-E156 VanDerWaalsContact CA-OE2 3.26Å; M59-E156 WeakPolarHBondContact CA-OE2 3.32Å; M59-E156 HydrophobicContact CB-CB 4.15Å; M59-E156 WeakPolarHBondContact CB-OE2 3.32Å; M59-Y157 HydrophobicContact CB-CD2 3.87Å; M59-Y157 HydrophobicContact CB-CE2 4.39Å; M59-Y157 WeakPolarHBondContact CE-O 3.43Å; M59-Y157 VanDerWaalsContact SD-CB 3.6Å; M59-Y157 HydrophobicContact SD-CD2 3.92Å; M59-Y157 HydrophobicContact SD-CG 4.24Å; M59-Y157 VanDerWaalsContact SD-O 3.33Å
60	K	98.2	Very high	85.8	Confident	71 Å²	71	56.9 Å²	56.9	31%	0.309	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	143.9	167.4	-68	175.5	173.1	-174.9	0	111.6	L77 Q78 E156 L371 E372	K60-L77 HydrophobicContact CB-CD1 4.09Å; K60-L77 HydrophobicContact CD-CD2 4.27Å; K60-Q78 CarbonylContact C-O 3.59Å; K60-Q78 VanDerWaalsContact CA-O 3.3Å; K60-Q78 WeakPolarHBondContact CA-O 3.4Å; K60-E156 HydrophobicContact CB-CG 4.28Å; K60-E156 PolarHBondContact N-OE2 2.8Å; K60-E156 PolarHBondContact O-N 2.95Å; K60-L371 HydrophobicContact CB-CD1 3.86Å; K60-L371 VanDerWaalsContact O-CD1 3.29Å; K60-L371 WeakPolarHBondContact O-CD1 3.48Å; K60-E372 IonicContact NZ-OE1 3.89Å; K60-E372 PolarHBondContact NZ-OE1 3.22Å
61	K	98.5	Very high	88.1	Confident	35 Å²	35	54 Å²	54	15%	0.152	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	159.8	165.7	69.4	172.6	-178.4	176	0	112.4	M59 V63 Q78 V80 D120 F154 A155	M59-K61 HydrophobicContact CE-CD 4.28Å; K61-V63 HydrophobicContact CD-CG2 4.11Å; K61-V63 HydrophobicContact CG-CG2 3.87Å; K61-Q78 PolarHBondContact N-O 2.91Å; K61-Q78 PolarHBondContact O-N 3.43Å; K61-V80 HydrophobicContact CD-CG2 3.99Å; K61-V80 HydrophobicContact CG-CG2 3.94Å; K61-D120 VanDerWaalsContact CE-OD1 3.28Å; K61-D120 WeakPolarHBondContact CE-OD1 3.23Å; K61-D120 IonicContact NZ-OD1 2.8Å; K61-D120 PolarHBondContact NZ-OD1 3.05Å; K61-D120 IonicContact NZ-OD2 2.66Å; K61-D120 PolarHBondContact NZ-OD2 2.65Å; K61-F154 CarbonylContact C-O 3.56Å; K61-F154 WeakPolarHBondContact CA-O 3.48Å; K61-A155 HydrophobicContact CB-CB 3.55Å
62	L	98.8	Very high	90.9	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.7	170.2	-63.9	-172.6	0	0	0	110.4	V75 A76 L77 A121 F154 L371 V374 F375	L62-V75 HydrophobicContact CB-CG1 3.67Å; L62-V75 HydrophobicContact CD1-CG1 4.31Å; L62-V75 HydrophobicContact CD2-CG1 4.35Å; L62-V75 HydrophobicContact CG-CG1 4.34Å; L62-A76 WeakPolarHBondContact CA-O 3.3Å; L62-L77 HydrophobicContact CD2-CB 3.9Å; L62-L77 HydrophobicContact CD2-CD1 3.62Å; L62-L77 HydrophobicContact CD2-CG 4.4Å; L62-A121 HydrophobicContact CB-CB 4.3Å; L62-A121 PolarHBondContact O-N 3.26Å; L62-F154 HydrophobicContact CB-CB 3.82Å; L62-F154 HydrophobicContact CD1-CB 4Å; L62-F154 HydrophobicContact CD1-CD2 4Å; L62-F154 HydrophobicContact CD1-CG 4.27Å; L62-F154 HydrophobicContact CG-CB 4.1Å; L62-F154 PolarHBondContact N-O 3.36Å; L62-L371 HydrophobicContact CG-CB 4.49Å; L62-V374 HydrophobicContact CD1-CB 3.63Å; L62-V374 HydrophobicContact CD1-CG1 3.6Å; L62-V374 HydrophobicContact CD1-CG2 3.92Å; L62-F375 HydrophobicContact CD1-CE2 4.47Å; L62-F375 HydrophobicContact CD2-CE2 3.76Å; L62-F375 HydrophobicContact CD2-CZ 3.83Å
63	V	98.6	Very high	93.4	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	130.6	-177.2	-176.9	0	0	0	0	108.7	K61 T65 V75 A76 Q78 P118 F119	K61-V63 HydrophobicContact CD-CG2 4.11Å; K61-V63 HydrophobicContact CG-CG2 3.87Å; V63-T65 HydrophobicContact CG1-CG2 4.45Å; V63-T65 PolarHBondContact O-N 3.15Å; V63-V75 CarbonylContact O-C 3.27Å; V63-V75 WeakPolarHBondContact O-CA 3.37Å; V63-A76 PolarHBondContact N-O 2.95Å; V63-A76 PolarHBondContact O-N 3.29Å; V63-Q78 HydrophobicContact CB-CG 4.45Å; V63-Q78 HydrophobicContact CG2-CB 4.36Å; V63-Q78 HydrophobicContact CG2-CG 4.17Å; V63-P118 HydrophobicContact CG1-CB 3.64Å; V63-F119 WeakPolarHBondContact CG1-O 3.31Å
64	V	98.8	Very high	95.3	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	112.2	167.9	-174.9	0	0	0	0	107.6	K66 A74 V75 P117 P118 F119 A121	V64-K66 WeakPolarHBondContact CG1-O 3.49Å; V64-A74 CarbonylContact C-O 3.52Å; V64-A74 WeakPolarHBondContact CA-O 3.41Å; V64-V75 HydrophobicContact CG2-CG2 4.07Å; V64-P117 HydrophobicContact CG1-CG 4.48Å; V64-P117 WeakPolarHBondContact O-CB 3.05Å; V64-P118 VanDerWaalsContact O-CA 3.29Å; V64-P118 WeakPolarHBondContact O-CA 3.12Å; V64-F119 HydrophobicContact CB-CD1 4.45Å; V64-F119 HydrophobicContact CB-CD2 3.87Å; V64-F119 HydrophobicContact CB-CE1 4.21Å; V64-F119 HydrophobicContact CB-CE2 3.61Å; V64-F119 HydrophobicContact CB-CG 4.3Å; V64-F119 HydrophobicContact CB-CZ 3.79Å; V64-F119 HydrophobicContact CG1-CE1 4.02Å; V64-F119 HydrophobicContact CG1-CE2 3.89Å; V64-F119 HydrophobicContact CG1-CZ 3.57Å; V64-F119 HydrophobicContact CG2-CD2 3.84Å; V64-F119 HydrophobicContact CG2-CE2 3.48Å; V64-F119 VanDerWaalsContact CG2-CE2 3.48Å; V64-F119 HydrophobicContact CG2-CZ 4.08Å; V64-F119 PolarHBondContact N-O 3.46Å; V64-F119 PolarHBondContact O-N 3.38Å; V64-A121 HydrophobicContact CG2-CB 4.17Å
65	T	98.5	Very high	96.6	Very high	66 Å²	66	45.8 Å²	45.8	41%	0.405	24%	0.242	S	C	.	.			trans	-102	-17.4	-179.9	55.4	0	0	0	0	112.4	V63 A74 A76 P117	V63-T65 HydrophobicContact CG1-CG2 4.45Å; V63-T65 PolarHBondContact O-N 3.15Å; T65-A74 PolarHBondContact N-O 3.05Å; T65-A74 PolarHBondContact OG1-O 2.84Å; T65-A76 HydrophobicContact CG2-CB 3.83Å; T65-P117 VanDerWaalsContact C-CB 3.49Å; T65-P117 WeakPolarHBondContact O-CB 3.4Å
66	K	97.9	Very high	97.2	Very high	125 Å²	125	46.5 Å²	46.5	54%	0.543	25%	0.25	S	S	.	.	S	Bend	trans	-146.2	141.7	178	177.9	-179.9	174.5	-173.7	0	109.8	V64 S68 A74	V64-K66 WeakPolarHBondContact CG1-O 3.49Å; K66-S68 PolarHBondContact O-N 3.44Å; K66-A74 PolarHBondContact N-O 2.95Å; K66-A74 VanDerWaalsContact O-CA 3.28Å; K66-A74 WeakPolarHBondContact O-CA 3.42Å; K66-A74 VanDerWaalsContact O-CB 3.27Å; K66-A74 WeakPolarHBondContact O-CB 3.39Å
67	L	98.3	Very high	97.6	Very high	74 Å²	74	47.7 Å²	47.7	39%	0.387	25%	0.254	S	S	.	.			trans	-72.9	116.3	172.7	-60.4	-177.1	0	0	0	110.2	S107 P117 F119	L67-S107 WeakPolarHBondContact CA-O 3.42Å; L67-P117 HydrophobicContact CD2-CG 3.81Å; L67-P117 HydrophobicContact CG-CG 3.9Å; L67-F119 HydrophobicContact CD2-CE1 3.73Å; L67-F119 HydrophobicContact CD2-CZ 3.79Å
68	S	97.9	Very high	97.9	Very high	18 Å²	18	45.8 Å²	45.8	13%	0.126	23%	0.234	C	C	.	.			trans	-164	148.4	174.9	177	0	0	0	0	110.9	K66 N70 A74 S107 A108	K66-S68 PolarHBondContact O-N 3.44Å; S68-N70 VanDerWaalsContact C-N 3.29Å; S68-N70 PolarHBondContact OG-N 3.42Å; S68-A74 WeakPolarHBondContact O-CB 3.36Å; S68-S107 PolarHBondContact N-O 3.23Å; S68-S107 VanDerWaalsContact N-O 3.11Å; S68-S107 CarbonylContact O-C 3.55Å; S68-S107 VanDerWaalsContact O-C 3.27Å; S68-S107 PolarHBondContact O-OG 2.97Å; S68-A108 PolarHBondContact O-N 3.38Å
69	Q	96.3	Very high	98	Very high	57 Å²	57	48 Å²	48	27%	0.266	25%	0.245	S	C	.	.	S	Bend	trans	-80.1	-11.1	169.8	77.4	-74.4	1.7	0	0	113.1	F71 I104 A108 Y300 Q301	Q69-F71 PolarHBondContact O-N 2.97Å; Q69-I104 WeakPolarHBondContact O-CB 3.32Å; Q69-A108 HydrophobicContact CB-CB 4.18Å; Q69-Y300 WeakPolarHBondContact CB-O 3.22Å; Q69-Q301 VanDerWaalsContact CG-O 3.28Å; Q69-Q301 WeakPolarHBondContact CG-O 3.36Å; Q69-Q301 PolarHBondContact NE2-O 2.95Å
70	N	98.1	Very high	98.1	Very high	66 Å²	66	48.8 Å²	48.8	35%	0.353	25%	0.25	S	S	.	.	S	Bend	trans	-82.1	103.8	164.9	-176.3	-10.1	0	0	0	108.5	S68 R72 D73 A74	S68-N70 VanDerWaalsContact C-N 3.29Å; S68-N70 PolarHBondContact OG-N 3.42Å; N70-R72 VanDerWaalsContact C-N 3.27Å; N70-R72 PolarHBondContact O-N 2.79Å; N70-R72 PolarHBondContact OD1-N 3.16Å; N70-D73 HydrophobicContact CB-CB 4.11Å; N70-D73 PolarHBondContact ND2-OD1 3.34Å; N70-D73 PolarHBondContact ND2-OD2 3.43Å; N70-D73 PolarHBondContact O-N 2.89Å; N70-D73 VanDerWaalsContact O-N 3.1Å; N70-A74 WeakPolarHBondContact O-CB 3.48Å; N70-A74 PolarHBondContact O-N 3.48Å
71	F	98.3	Very high	98	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-57.7	-38.4	-175.1	-166.6	-98.8	0	0	0	113	Q69 D73 A74 V75 D103 I104 F154 V374 F375 V378	Q69-F71 PolarHBondContact O-N 2.97Å; F71-D73 VanDerWaalsContact C-N 3.31Å; F71-D73 PolarHBondContact O-N 3.41Å; F71-A74 PolarHBondContact O-N 3.47Å; F71-V75 HydrophobicContact CD1-CB 4.44Å; F71-V75 HydrophobicContact CD1-CG2 4.37Å; F71-V75 HydrophobicContact CD2-CG2 3.85Å; F71-V75 HydrophobicContact CE1-CB 4.14Å; F71-V75 HydrophobicContact CE1-CG1 4.25Å; F71-V75 HydrophobicContact CE1-CG2 4.15Å; F71-V75 HydrophobicContact CE2-CB 4.47Å; F71-V75 HydrophobicContact CE2-CG2 3.62Å; F71-V75 HydrophobicContact CG-CG2 4.23Å; F71-V75 HydrophobicContact CZ-CB 4.16Å; F71-V75 HydrophobicContact CZ-CG1 4.11Å; F71-V75 HydrophobicContact CZ-CG2 3.77Å; F71-V75 WeakPolarHBondContact O-CB 3.3Å; F71-V75 PolarHBondContact O-N 3.26Å; F71-D103 HydrophobicContact CD2-CB 4.48Å; F71-D103 HydrophobicContact CE2-CB 4.11Å; F71-I104 HydrophobicContact CB-CG2 3.96Å; F71-I104 HydrophobicContact CD2-CG2 4.23Å; F71-I104 HydrophobicContact CG-CG2 4.48Å; F71-F154 HydrophobicContact CE2-CE2 4.38Å; F71-F154 HydrophobicContact CZ-CD2 4.14Å; F71-F154 AromaticContact CZ-CE2 3.86Å; F71-F154 HydrophobicContact CZ-CE2 3.86Å; F71-V374 HydrophobicContact CE1-CG1 3.88Å; F71-V374 HydrophobicContact CZ-CG1 4.07Å; F71-F375 AromaticContact CD1-CD1 3.74Å; F71-F375 HydrophobicContact CD1-CD1 3.74Å; F71-F375 HydrophobicContact CD1-CE1 4.13Å; F71-F375 AromaticContact CE1-CD1 3.93Å; F71-F375 HydrophobicContact CE1-CD1 3.93Å; F71-F375 HydrophobicContact CE1-CE1 4.09Å; F71-V378 HydrophobicContact CB-CG1 4.03Å; F71-V378 HydrophobicContact CD1-CB 4.4Å; F71-V378 HydrophobicContact CD1-CG1 4.5Å; F71-V378 HydrophobicContact CD1-CG2 4.04Å; F71-V378 HydrophobicContact CE1-CG2 4.15Å; F71-V378 HydrophobicContact CG-CG1 4.2Å; F71-V378 HydrophobicContact CG-CG2 4.27Å; F71-V378 HydrophobicContact CZ-CG2 4.44Å
72	R	97.5	Very high	97.8	Very high	112 Å²	112	49.7 Å²	49.7	42%	0.423	27%	0.266	S	S	.	.	H	α-helix	trans	-65.5	-34.4	178.7	-69.2	-178.5	173.4	-83.9	1.7	112.8	N70 F375 D379	N70-R72 VanDerWaalsContact C-N 3.27Å; N70-R72 PolarHBondContact O-N 2.79Å; N70-R72 PolarHBondContact OD1-N 3.16Å; R72-F375 HydrophobicContact CG-CB 4.38Å; R72-F375 HydrophobicContact CG-CD1 4.02Å; R72-D379 IonicContact CZ-OD2 3.9Å; R72-D379 IonicContact NE-OD1 3.71Å; R72-D379 IonicContact NE-OD2 3.97Å; R72-D379 PolarHBondContact NE-OD2 3.14Å; R72-D379 IonicContact NH2-OD2 2.86Å; R72-D379 PolarHBondContact NH2-OD2 2.88Å
73	D	97.3	Very high	97.7	Very high	94 Å²	94	51.8 Å²	51.8	50%	0.503	28%	0.28	S	S	.	.	H	α-helix	trans	-81.4	-26.5	177.8	-61.8	-13.5	0	0	0	112.1	N70 F71	N70-D73 HydrophobicContact CB-CB 4.11Å; N70-D73 PolarHBondContact ND2-OD1 3.34Å; N70-D73 PolarHBondContact ND2-OD2 3.43Å; N70-D73 PolarHBondContact O-N 2.89Å; N70-D73 VanDerWaalsContact O-N 3.1Å; F71-D73 VanDerWaalsContact C-N 3.31Å; F71-D73 PolarHBondContact O-N 3.41Å
74	A	98.3	Very high	97.5	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-85.5	-32.8	-174.2	0	0	0	0	0	113.2	V64 T65 K66 S68 N70 F71	V64-A74 CarbonylContact C-O 3.52Å; V64-A74 WeakPolarHBondContact CA-O 3.41Å; T65-A74 PolarHBondContact N-O 3.05Å; T65-A74 PolarHBondContact OG1-O 2.84Å; K66-A74 PolarHBondContact N-O 2.95Å; K66-A74 VanDerWaalsContact O-CA 3.28Å; K66-A74 WeakPolarHBondContact O-CA 3.42Å; K66-A74 VanDerWaalsContact O-CB 3.27Å; K66-A74 WeakPolarHBondContact O-CB 3.39Å; S68-A74 WeakPolarHBondContact O-CB 3.36Å; N70-A74 WeakPolarHBondContact O-CB 3.48Å; N70-A74 PolarHBondContact O-N 3.48Å; F71-A74 PolarHBondContact O-N 3.47Å
75	V	98.6	Very high	97.3	Very high	7 Å²	7	56.3 Å²	56.3	4%	0.042	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135	-165	-176.9	0	0	0	0	111.2	L62 V63 V64 F71 A121 F375	L62-V75 HydrophobicContact CB-CG1 3.67Å; L62-V75 HydrophobicContact CD1-CG1 4.31Å; L62-V75 HydrophobicContact CD2-CG1 4.35Å; L62-V75 HydrophobicContact CG-CG1 4.34Å; V63-V75 CarbonylContact O-C 3.27Å; V63-V75 WeakPolarHBondContact O-CA 3.37Å; V64-V75 HydrophobicContact CG2-CG2 4.07Å; F71-V75 HydrophobicContact CD1-CB 4.44Å; F71-V75 HydrophobicContact CD1-CG2 4.37Å; F71-V75 HydrophobicContact CD2-CG2 3.85Å; F71-V75 HydrophobicContact CE1-CB 4.14Å; F71-V75 HydrophobicContact CE1-CG1 4.25Å; F71-V75 HydrophobicContact CE1-CG2 4.15Å; F71-V75 HydrophobicContact CE2-CB 4.47Å; F71-V75 HydrophobicContact CE2-CG2 3.62Å; F71-V75 HydrophobicContact CG-CG2 4.23Å; F71-V75 HydrophobicContact CZ-CB 4.16Å; F71-V75 HydrophobicContact CZ-CG1 4.11Å; F71-V75 HydrophobicContact CZ-CG2 3.77Å; F71-V75 WeakPolarHBondContact O-CB 3.3Å; F71-V75 PolarHBondContact O-N 3.26Å; V75-A121 HydrophobicContact CG1-CB 4.46Å; V75-F375 HydrophobicContact CB-CE1 4.05Å; V75-F375 HydrophobicContact CB-CZ 4.5Å; V75-F375 HydrophobicContact CG1-CE1 4.27Å; V75-F375 HydrophobicContact CG1-CZ 4.29Å; V75-F375 WeakPolarHBondContact O-CE1 3.28Å
76	A	98.5	Very high	97.2	Very high	35 Å²	35	54.6 Å²	54.6	29%	0.289	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.1	176.5	0	0	0	0	0	111.5	L62 V63 T65	L62-A76 WeakPolarHBondContact CA-O 3.3Å; V63-A76 PolarHBondContact N-O 2.95Å; V63-A76 PolarHBondContact O-N 3.29Å; T65-A76 HydrophobicContact CG2-CB 3.83Å
77	L	98.4	Very high	97.2	Very high	61 Å²	61	53 Å²	53	32%	0.319	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	129.7	167.7	-173.9	74.8	0	0	0	109.6	K60 L62 L371 E372	K60-L77 HydrophobicContact CB-CD1 4.09Å; K60-L77 HydrophobicContact CD-CD2 4.27Å; L62-L77 HydrophobicContact CD2-CB 3.9Å; L62-L77 HydrophobicContact CD2-CD1 3.62Å; L62-L77 HydrophobicContact CD2-CG 4.4Å; L77-L371 HydrophobicContact CD1-CB 3.82Å; L77-L371 HydrophobicContact CD1-CD1 4.16Å; L77-E372 HydrophobicContact CD2-CG 3.9Å; L77-E372 WeakPolarHBondContact CD2-OE1 3.47Å
78	Q	98.2	Very high	97.1	Very high	68 Å²	68	50.8 Å²	50.8	32%	0.318	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.7	178.8	-60.4	-171.2	19.5	0	0	110.9	K60 K61 V63 V80	K60-Q78 CarbonylContact C-O 3.59Å; K60-Q78 VanDerWaalsContact CA-O 3.3Å; K60-Q78 WeakPolarHBondContact CA-O 3.4Å; K61-Q78 PolarHBondContact N-O 2.91Å; K61-Q78 PolarHBondContact O-N 3.43Å; V63-Q78 HydrophobicContact CB-CG 4.45Å; V63-Q78 HydrophobicContact CG2-CB 4.36Å; V63-Q78 HydrophobicContact CG2-CG 4.17Å; Q78-V80 HydrophobicContact CB-CG1 4.16Å
79	T	97.8	Very high	97.2	Very high	100 Å²	100	51.8 Å²	51.8	61%	0.613	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	122.3	166.2	-57.7	0	0	0	0	108.7	M59	M59-T79 CarbonylContact O-C 3.53Å; M59-T79 VanDerWaalsContact O-CA 3.3Å; M59-T79 WeakPolarHBondContact O-CA 3.46Å
80	V	96.8	Very high	97.2	Very high	25 Å²	25	49.1 Å²	49.1	15%	0.152	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	162.5	-175.6	-60.4	0	0	0	0	110.5	S58 M59 K61 Q78	S58-V80 CarbonylContact C-O 3.54Å; S58-V80 WeakPolarHBondContact CA-O 3.43Å; S58-V80 WeakPolarHBondContact CB-O 3.41Å; M59-V80 HydrophobicContact CE-CG2 3.77Å; M59-V80 HydrophobicContact CG-CG2 3.91Å; M59-V80 PolarHBondContact N-O 2.98Å; M59-V80 PolarHBondContact O-N 3.09Å; K61-V80 HydrophobicContact CD-CG2 3.99Å; K61-V80 HydrophobicContact CG-CG2 3.94Å; Q78-V80 HydrophobicContact CB-CG1 4.16Å
81	P	96.3	Very high	97.2	Very high	105 Å²	105	46 Å²	46	68%	0.682	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.5	144.7	170	-23.1	34.6	0	0	0	112	S57	S57-P81 WeakPolarHBondContact O-CA 3.32Å
82	V	95.6	Very high	97.2	Very high	19 Å²	19	45.7 Å²	45.7	12%	0.115	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-66.1	127.2	170.4	174	0	0	0	0	109	I55 P56 S57 M59 L91 Y157	I55-V82 HydrophobicContact CG2-CB 4.47Å; I55-V82 HydrophobicContact CG2-CG1 3.86Å; I55-V82 HydrophobicContact CG2-CG2 4.49Å; P56-V82 HydrophobicContact CG-CG2 4.25Å; P56-V82 WeakPolarHBondContact O-CG2 3.06Å; S57-V82 PolarHBondContact O-N 3.09Å; M59-V82 HydrophobicContact CB-CG2 3.75Å; M59-V82 HydrophobicContact CG-CG2 3.92Å; M59-V82 HydrophobicContact SD-CG2 4.21Å; V82-L91 HydrophobicContact CG1-CD1 4.29Å; V82-L91 HydrophobicContact CG1-CD2 3.88Å; V82-Y157 HydrophobicContact CG1-CG 4.31Å; V82-Y157 HydrophobicContact CG2-CD2 4.08Å; V82-Y157 HydrophobicContact CG2-CE2 4.41Å
83	P	95.2	Very high	97.2	Very high	45 Å²	45	40.8 Å²	40.8	29%	0.292	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-70.6	147.4	-179.1	28.7	-36.1	0	0	0	111.8	M59 L91 V159	M59-P83 VanDerWaalsContact CE-CD 3.44Å; M59-P83 HydrophobicContact CE-CG 4.14Å; P83-L91 HydrophobicContact CG-CD1 4.08Å; P83-L91 WeakPolarHBondContact O-CD1 3.47Å; P83-V159 HydrophobicContact CB-CG2 3.75Å; P83-V159 HydrophobicContact CG-CG2 3.75Å
84	T	94.5	Very high	97.2	Very high	92 Å²	92	36.3 Å²	36.3	56%	0.564	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-91.4	129.9	174	-51.2	0	0	0	0	109.8	F50	F50-T84 HydrophobicContact CE2-CG2 3.93Å; F50-T84 HydrophobicContact CZ-CG2 4.44Å
85	P	96.1	Very high	97.2	Very high	8 Å²	8	39.4 Å²	39.4	5%	0.052	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-68.8	142.8	177	28.7	-32.8	0	0	0	111.1	D89 L91 V159	P85-D89 HydrophobicContact CB-CB 3.99Å; P85-L91 HydrophobicContact CB-CB 4.27Å; P85-L91 HydrophobicContact CG-CB 3.96Å; P85-V159 HydrophobicContact CB-CG1 4.42Å; P85-V159 HydrophobicContact CB-CG2 4.42Å
86	G	96.3	Very high	97.2	Very high	30 Å²	30	40 Å²	40	31%	0.309	24%	0.241	S	C	.	.			trans	-74.9	179.8	167.4	0	0	0	0	0	112.4	G88 D89 G133	G86-G88 VanDerWaalsContact C-N 3.3Å; G86-G88 PolarHBondContact O-N 3.13Å; G86-D89 WeakPolarHBondContact CA-OD2 3.44Å; G86-D89 PolarHBondContact N-OD2 3.03Å; G86-D89 VanDerWaalsContact N-OD2 3.08Å; G86-D89 PolarHBondContact O-N 3.09Å; G86-D89 VanDerWaalsContact O-N 3.07Å; G86-G133 VanDerWaalsContact O-CA 3.29Å; G86-G133 WeakPolarHBondContact O-CA 3.5Å
87	D	96.9	Very high	97.2	Very high	90 Å²	90	38.4 Å²	38.4	48%	0.481	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-37.6	-173.8	-176.9	50.4	0	0	0	114.3	G133 L134 S135 A136	D87-G133 CarbonylContact O-C 3.22Å; D87-G133 VanDerWaalsContact O-CA 3.26Å; D87-G133 WeakPolarHBondContact O-CA 3.41Å; D87-L134 PolarHBondContact O-N 2.91Å; D87-L134 WeakPolarHBondContact OD1-CB 3.49Å; D87-L134 PolarHBondContact OD1-N 2.83Å; D87-S135 WeakPolarHBondContact O-CB 3.31Å; D87-S135 PolarHBondContact O-N 3.17Å; D87-S135 VanDerWaalsContact O-N 3.12Å; D87-S135 PolarHBondContact OD1-N 2.96Å; D87-S135 WeakPolarHBondContact OD2-CB 3.45Å; D87-S135 PolarHBondContact OD2-OG 3.07Å; D87-A136 PolarHBondContact O-N 3.31Å; D87-A136 VanDerWaalsContact O-N 3.08Å
88	G	97.2	Very high	97.2	Very high	28 Å²	28	35.5 Å²	35.5	29%	0.289	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	8.9	179	0	0	0	0	0	114.8	G86 M162	G86-G88 VanDerWaalsContact C-N 3.3Å; G86-G88 PolarHBondContact O-N 3.13Å; G88-M162 WeakPolarHBondContact O-CB 3.46Å; G88-M162 WeakPolarHBondContact O-CG 3.42Å; G88-M162 PolarHBondContact O-N 3.34Å
89	D	98.3	Very high	97.3	Very high	40 Å²	40	32.4 Å²	32.4	21%	0.214	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	157.6	-170.2	-53.5	-42.5	0	0	0	112.7	P85 G86 L132 G133 V159 P161	P85-D89 HydrophobicContact CB-CB 3.99Å; G86-D89 WeakPolarHBondContact CA-OD2 3.44Å; G86-D89 PolarHBondContact N-OD2 3.03Å; G86-D89 VanDerWaalsContact N-OD2 3.08Å; G86-D89 PolarHBondContact O-N 3.09Å; G86-D89 VanDerWaalsContact O-N 3.07Å; D89-L132 WeakPolarHBondContact O-CA 3.29Å; D89-G133 PolarHBondContact O-N 3.24Å; D89-V159 HydrophobicContact CB-CG1 3.64Å; D89-P161 VanDerWaalsContact OD1-CA 3.28Å; D89-P161 WeakPolarHBondContact OD1-CA 3.38Å
90	L	98	Very high	97.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	139.1	169.6	-52.3	-178.9	0	0	0	108.6	V92 V129 L132 A136 Y140 V146 V159 I160 M162 T165	L90-V92 HydrophobicContact CB-CG2 4.19Å; L90-V129 HydrophobicContact CB-CG1 4.49Å; L90-V129 HydrophobicContact CD1-CG2 4Å; L90-V129 HydrophobicContact CD2-CG1 4.29Å; L90-L132 HydrophobicContact CD2-CB 3.59Å; L90-L132 HydrophobicContact CD2-CD1 4.2Å; L90-A136 HydrophobicContact CD2-CB 3.75Å; L90-Y140 HydrophobicContact CD1-CD1 4.17Å; L90-Y140 HydrophobicContact CD1-CD2 3.9Å; L90-Y140 HydrophobicContact CD1-CE1 4.39Å; L90-Y140 HydrophobicContact CD1-CE2 4.1Å; L90-Y140 HydrophobicContact CD1-CG 3.92Å; L90-Y140 HydrophobicContact CD2-CD2 4.12Å; L90-Y140 HydrophobicContact CD2-CG 4.12Å; L90-V146 HydrophobicContact CD1-CG1 4.27Å; L90-V159 CarbonylContact O-C 3.47Å; L90-V159 VanDerWaalsContact O-CA 3.3Å; L90-V159 WeakPolarHBondContact O-CA 3.27Å; L90-I160 PolarHBondContact N-O 3.45Å; L90-I160 PolarHBondContact O-N 3.14Å; L90-M162 HydrophobicContact CG-CB 4.25Å; L90-T165 HydrophobicContact CD1-CG2 3.9Å
91	L	97.7	Very high	97.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	109	162.5	-179.1	65.4	0	0	0	107.8	F50 I55 V82 P83 P85 V130 G131 Y157 V159	F50-L91 HydrophobicContact CE1-CD2 4.16Å; F50-L91 HydrophobicContact CZ-CD2 4.31Å; I55-L91 HydrophobicContact CD1-CD2 4.3Å; I55-L91 HydrophobicContact CG2-CD2 4.49Å; V82-L91 HydrophobicContact CG1-CD1 4.29Å; V82-L91 HydrophobicContact CG1-CD2 3.88Å; P83-L91 HydrophobicContact CG-CD1 4.08Å; P83-L91 WeakPolarHBondContact O-CD1 3.47Å; P85-L91 HydrophobicContact CB-CB 4.27Å; P85-L91 HydrophobicContact CG-CB 3.96Å; L91-V130 HydrophobicContact CB-CG2 4.31Å; L91-V130 HydrophobicContact CD2-CG2 3.88Å; L91-V130 HydrophobicContact CG-CG2 3.78Å; L91-V130 WeakPolarHBondContact O-CG2 3.44Å; L91-V130 PolarHBondContact O-N 3.17Å; L91-G131 PolarHBondContact N-O 3.13Å; L91-G131 PolarHBondContact O-N 3.23Å; L91-Y157 HydrophobicContact CG-CD1 4.48Å; L91-V159 HydrophobicContact CD1-CG2 3.8Å
92	V	97.6	Very high	97.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.2	-178.3	-175.5	0	0	0	0	108.9	L90 E128 V146 Y148 Y157 T158	L90-V92 HydrophobicContact CB-CG2 4.19Å; V92-E128 WeakPolarHBondContact CA-O 3.31Å; V92-V146 HydrophobicContact CB-CG2 4.41Å; V92-V146 HydrophobicContact CG1-CG2 3.97Å; V92-V146 HydrophobicContact CG2-CG2 3.51Å; V92-Y148 HydrophobicContact CB-CE1 4.33Å; V92-Y148 HydrophobicContact CG1-CE1 4.18Å; V92-Y157 CarbonylContact O-C 3.29Å; V92-Y157 WeakPolarHBondContact O-CA 3.23Å; V92-T158 PolarHBondContact N-O 3.38Å; V92-T158 PolarHBondContact O-N 2.87Å
93	R	97.1	Very high	97.6	Very high	10 Å²	10	23.6 Å²	23.6	4%	0.038	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	107.4	168.7	-179.2	-177.9	-175	-161.8	-4.4	108.6	G127 E128 V130 E156 Y157 P396 P397	R93-G127 WeakPolarHBondContact O-CA 3.39Å; R93-E128 PolarHBondContact N-O 3.42Å; R93-E128 PolarHBondContact O-N 3.09Å; R93-V130 HydrophobicContact CB-CG1 3.67Å; R93-V130 HydrophobicContact CB-CG2 4.24Å; R93-E156 CarbonylContact C-O 3.58Å; R93-E156 WeakPolarHBondContact CA-O 3.39Å; R93-Y157 HydrophobicContact CB-CD1 3.76Å; R93-Y157 HydrophobicContact CB-CE1 3.63Å; R93-Y157 HydrophobicContact CG-CD1 4.08Å; R93-Y157 HydrophobicContact CG-CE1 3.62Å; R93-P396 HydrophobicContact CG-CB 4.11Å; R93-P396 HydrophobicContact CG-CG 3.76Å; R93-P396 PolarHBondContact NH2-O 3.18Å; R93-P397 VanDerWaalsContact NH2-C 3.32Å; R93-P397 PolarHBondContact NH2-O 3.12Å
94	N	98.3	Very high	97.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	136.2	-175.3	-66.5	-40.6	0	0	0	111.3	V97 Y148 A153 A155 E156 T158 V394	N94-V97 HydrophobicContact CB-CG1 4.17Å; N94-Y148 PolarHBondContact ND2-OH 2.75Å; N94-Y148 WeakPolarHBondContact OD1-CE1 3.46Å; N94-Y148 PolarHBondContact OD1-OH 3.05Å; N94-A153 PolarHBondContact ND2-O 2.87Å; N94-A155 WeakPolarHBondContact CB-O 3.46Å; N94-A155 PolarHBondContact ND2-O 3.12Å; N94-E156 PolarHBondContact N-O 2.96Å; N94-T158 PolarHBondContact ND2-OG1 2.83Å; N94-V394 HydrophobicContact CB-CG2 4.48Å
95	R	98	Very high	98	Very high	64 Å²	64	17.7 Å²	17.7	24%	0.242	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-37.3	174.4	-64.8	-61.4	-167.7	168.4	11.9	111.8	I126 E128 V171 E393 V394	R95-I126 PolarHBondContact N-O 2.93Å; R95-E128 WeakPolarHBondContact CG-OE2 3.37Å; R95-E128 IonicContact CZ-OE1 3.41Å; R95-E128 IonicContact CZ-OE2 2.75Å; R95-E128 VanDerWaalsContact NE-CD 3.3Å; R95-E128 IonicContact NE-OE1 3.72Å; R95-E128 PolarHBondContact NE-OE1 2.82Å; R95-E128 IonicContact NE-OE2 3.02Å; R95-E128 PolarHBondContact NE-OE2 2.85Å; R95-E128 IonicContact NH2-OE1 2.7Å; R95-E128 PolarHBondContact NH2-OE1 3.28Å; R95-E128 IonicContact NH2-OE2 2.69Å; R95-V171 HydrophobicContact CB-CG1 3.35Å; R95-V171 HydrophobicContact CG-CG1 3.6Å; R95-E393 CarbonylContact O-C 3.57Å; R95-E393 WeakPolarHBondContact O-CA 3.27Å; R95-V394 PolarHBondContact O-N 3.25Å
96	F	98.7	Very high	98.1	Very high	21 Å²	21	18.9 Å²	18.9	9%	0.092	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	142.9	172.4	-56.2	-82.6	0	0	0	110.2	G125 I126 V171 P173 L176 V391 V392 E393	F96-G125 WeakPolarHBondContact O-CA 3.25Å; F96-I126 HydrophobicContact CB-CG2 3.62Å; F96-I126 HydrophobicContact CD2-CG2 4.04Å; F96-I126 HydrophobicContact CG-CG2 4.33Å; F96-I126 PolarHBondContact N-O 3.29Å; F96-I126 PolarHBondContact O-N 3.32Å; F96-V171 HydrophobicContact CD2-CG1 3.96Å; F96-V171 HydrophobicContact CE2-CG1 3.9Å; F96-P173 HydrophobicContact CD1-CB 4.18Å; F96-P173 HydrophobicContact CD2-CB 4.36Å; F96-P173 HydrophobicContact CE1-CB 4.48Å; F96-P173 HydrophobicContact CE1-CG 4.47Å; F96-P173 HydrophobicContact CG-CB 4.12Å; F96-P173 HydrophobicContact CZ-CG 4.45Å; F96-L176 HydrophobicContact CB-CD2 4.12Å; F96-V391 HydrophobicContact CB-CG1 3.65Å; F96-V391 HydrophobicContact CD1-CG1 3.82Å; F96-V391 HydrophobicContact CG-CG1 4.11Å; F96-V392 VanDerWaalsContact CA-O 3.28Å; F96-V392 WeakPolarHBondContact CA-O 3.27Å; F96-E393 HydrophobicContact CD1-CB 3.94Å; F96-E393 HydrophobicContact CD1-CG 4.22Å; F96-E393 HydrophobicContact CE1-CB 3.73Å; F96-E393 HydrophobicContact CE1-CG 3.72Å; F96-E393 HydrophobicContact CZ-CG 4.36Å
97	V	98.9	Very high	98.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	143.3	175.2	-60.8	0	0	0	0	109.9	N94 E124 A153 F154 V392 V394	N94-V97 HydrophobicContact CB-CG1 4.17Å; V97-E124 WeakPolarHBondContact CA-O 3.38Å; V97-A153 WeakPolarHBondContact CG1-O 3.35Å; V97-F154 HydrophobicContact CB-CD1 3.94Å; V97-F154 HydrophobicContact CB-CE1 4.16Å; V97-F154 HydrophobicContact CG2-CD1 3.8Å; V97-F154 HydrophobicContact CG2-CE1 4.04Å; V97-V392 HydrophobicContact CG2-CB 3.83Å; V97-V392 HydrophobicContact CG2-CG1 4.36Å; V97-V392 PolarHBondContact N-O 3.04Å; V97-V392 PolarHBondContact O-N 2.89Å; V97-V394 HydrophobicContact CB-CG2 4.36Å; V97-V394 HydrophobicContact CG1-CG2 3.67Å; V97-V394 HydrophobicContact CG2-CG2 3.88Å
98	G	98.8	Very high	98.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.2	-173	0	0	0	0	0	111.3	N100 E124	G98-N100 PolarHBondContact O-ND2 2.93Å; G98-E124 PolarHBondContact N-O 2.85Å; G98-E124 VanDerWaalsContact N-O 3.1Å
99	I	98.9	Very high	98.2	Very high	3 Å²	3	13.1 Å²	13.1	2%	0.015	7%	0.072	C	C	.	.			trans	-89.5	132.8	173.7	-53	-52.9	0	0	0	109.5	F154 V374 A377 V378 M381 K389 V390 V392	I99-F154 HydrophobicContact CD1-CE1 3.81Å; I99-F154 HydrophobicContact CD1-CZ 3.64Å; I99-V374 HydrophobicContact CD1-CB 4.43Å; I99-V374 HydrophobicContact CD1-CG1 3.83Å; I99-V374 HydrophobicContact CD1-CG2 4.36Å; I99-A377 HydrophobicContact CD1-CB 4.37Å; I99-A377 HydrophobicContact CG1-CB 3.8Å; I99-V378 HydrophobicContact CG2-CG2 3.82Å; I99-M381 HydrophobicContact CG2-CE 4.03Å; I99-M381 HydrophobicContact CG2-SD 4.22Å; I99-K389 PolarHBondContact O-NZ 2.9Å; I99-V390 HydrophobicContact CB-CB 4.01Å; I99-V390 HydrophobicContact CB-CG1 3.88Å; I99-V390 HydrophobicContact CG1-CB 4.43Å; I99-V390 HydrophobicContact CG1-CG1 3.81Å; I99-V390 HydrophobicContact CG2-CG1 4.47Å; I99-V390 PolarHBondContact N-O 2.94Å; I99-V392 HydrophobicContact CD1-CG2 3.81Å; I99-V392 HydrophobicContact CG1-CG2 3.91Å
100	N	98.8	Very high	98.2	Very high	11 Å²	11	14.6 Å²	14.6	6%	0.059	7%	0.074	C	C	.	.			trans	-128.6	140	-173.1	-71.9	-67.5	0	0	0	110.9	G98 S102 D103 F123 E124 L180 K389	G98-N100 PolarHBondContact O-ND2 2.93Å; N100-S102 PolarHBondContact O-N 3.38Å; N100-D103 PolarHBondContact N-OD2 3.36Å; N100-D103 VanDerWaalsContact O-CB 3.27Å; N100-D103 WeakPolarHBondContact O-CB 3.33Å; N100-D103 PolarHBondContact O-N 3.25Å; N100-D103 VanDerWaalsContact O-OD2 3.05Å; N100-F123 HydrophobicContact CB-CD2 4.1Å; N100-E124 PolarHBondContact ND2-OE1 3.35Å; N100-E124 PolarHBondContact OD1-OE1 2.96Å; N100-L180 HydrophobicContact CB-CD2 4.49Å; N100-L180 WeakPolarHBondContact OD1-CD2 3.26Å; N100-K389 VanDerWaalsContact CG-NZ 3.3Å; N100-K389 PolarHBondContact ND2-NZ 3.06Å; N100-K389 PolarHBondContact OD1-NZ 3.23Å
101	A	98.6	Very high	98	Very high	28 Å²	28	19.3 Å²	19.3	23%	0.231	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-36.3	175.5	0	0	0	0	0	112	D103 I297 Y300 M381 Y382	A101-D103 VanDerWaalsContact C-N 3.26Å; A101-D103 PolarHBondContact O-N 2.93Å; A101-I297 HydrophobicContact CB-CD1 3.57Å; A101-I297 HydrophobicContact CB-CG1 4Å; A101-Y300 HydrophobicContact CB-CD2 4.34Å; A101-Y300 HydrophobicContact CB-CE2 4.13Å; A101-M381 VanDerWaalsContact CA-CE 3.48Å; A101-M381 HydrophobicContact CB-CE 4.4Å; A101-M381 HydrophobicContact CB-SD 4.34Å; A101-M381 PolarHBondContact N-SD 2.94Å; A101-Y382 PolarHBondContact O-OH 3.13Å
102	S	98.1	Very high	97.8	Very high	22 Å²	22	22.8 Å²	22.8	15%	0.154	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-0.6	-178.4	-135.8	0	0	0	0	114.6	N100 I104 N105 Y106 Y111	N100-S102 PolarHBondContact O-N 3.38Å; S102-I104 PolarHBondContact O-N 3.01Å; S102-N105 WeakPolarHBondContact O-CA 3.29Å; S102-N105 WeakPolarHBondContact O-CB 3.4Å; S102-N105 PolarHBondContact O-N 3.25Å; S102-N105 WeakPolarHBondContact OG-CB 3.4Å; S102-N105 PolarHBondContact OG-ND2 3.4Å; S102-N105 VanDerWaalsContact OG-ND2 3.09Å; S102-Y106 PolarHBondContact O-N 2.85Å; S102-Y111 WeakPolarHBondContact CB-OH 3.29Å; S102-Y111 WeakPolarHBondContact OG-CE2 3.38Å; S102-Y111 PolarHBondContact OG-OH 2.94Å
103	D	98.7	Very high	97.6	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-56.6	-36.4	174.7	-68.9	-30.1	0	0	0	110.8	F71 N100 A101 Y106 S107 F123 F154	F71-D103 HydrophobicContact CD2-CB 4.48Å; F71-D103 HydrophobicContact CE2-CB 4.11Å; N100-D103 PolarHBondContact N-OD2 3.36Å; N100-D103 VanDerWaalsContact O-CB 3.27Å; N100-D103 WeakPolarHBondContact O-CB 3.33Å; N100-D103 PolarHBondContact O-N 3.25Å; N100-D103 VanDerWaalsContact O-OD2 3.05Å; A101-D103 VanDerWaalsContact C-N 3.26Å; A101-D103 PolarHBondContact O-N 2.93Å; D103-Y106 WeakPolarHBondContact O-CB 3.08Å; D103-Y106 PolarHBondContact O-N 3.11Å; D103-S107 PolarHBondContact O-N 2.81Å; D103-F123 WeakPolarHBondContact OD1-CD2 3.43Å; D103-F154 WeakPolarHBondContact OD2-CZ 3.31Å
104	I	98.6	Very high	97.6	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-78.2	-24.1	176.9	80.3	171.4	0	0	0	113.3	Q69 F71 S102 Y106 S107 A108 Q301 V378 Y382	Q69-I104 WeakPolarHBondContact O-CB 3.32Å; F71-I104 HydrophobicContact CB-CG2 3.96Å; F71-I104 HydrophobicContact CD2-CG2 4.23Å; F71-I104 HydrophobicContact CG-CG2 4.48Å; S102-I104 PolarHBondContact O-N 3.01Å; I104-Y106 VanDerWaalsContact C-N 3.34Å; I104-S107 WeakPolarHBondContact CA-OG 3.37Å; I104-S107 PolarHBondContact O-OG 2.77Å; I104-A108 WeakPolarHBondContact O-CB 3.47Å; I104-A108 PolarHBondContact O-N 2.96Å; I104-Q301 HydrophobicContact CD1-CB 4.48Å; I104-Q301 HydrophobicContact CD1-CG 3.63Å; I104-V378 HydrophobicContact CG2-CG1 3.95Å; I104-Y382 HydrophobicContact CD1-CE1 3.86Å; I104-Y382 HydrophobicContact CD1-CE2 3.82Å; I104-Y382 WeakPolarHBondContact CD1-OH 3.39Å; I104-Y382 HydrophobicContact CG1-CE2 4.2Å; I104-Y382 WeakPolarHBondContact CG1-OH 3.49Å; I104-Y382 HydrophobicContact CG2-CE2 3.81Å
105	N	98.4	Very high	97.5	Very high	11 Å²	11	35.4 Å²	35.4	6%	0.059	19%	0.191	C	C	.	.	H	α-helix	trans	-71.7	-36.9	170.7	-71.5	-37.9	0	0	0	110.2	S102 A108 G109 R110 Y111 Y300	S102-N105 WeakPolarHBondContact O-CA 3.29Å; S102-N105 WeakPolarHBondContact O-CB 3.4Å; S102-N105 PolarHBondContact O-N 3.25Å; S102-N105 WeakPolarHBondContact OG-CB 3.4Å; S102-N105 PolarHBondContact OG-ND2 3.4Å; S102-N105 VanDerWaalsContact OG-ND2 3.09Å; N105-A108 PolarHBondContact O-N 2.8Å; N105-G109 PolarHBondContact O-N 3.35Å; N105-R110 HydrophobicContact CB-CB 4.33Å; N105-R110 WeakPolarHBondContact O-CB 3.47Å; N105-R110 PolarHBondContact O-N 3.05Å; N105-R110 WeakPolarHBondContact OD1-CD 3.36Å; N105-R110 PolarHBondContact OD1-NH1 3.36Å; N105-Y111 HydrophobicContact CB-CD2 4.43Å; N105-Y111 HydrophobicContact CB-CE2 3.98Å; N105-Y300 WeakPolarHBondContact ND2-CD1 3.47Å; N105-Y300 WeakPolarHBondContact ND2-CD2 3.23Å; N105-Y300 WeakPolarHBondContact ND2-CE1 3.38Å; N105-Y300 WeakPolarHBondContact ND2-CE2 3.49Å; N105-Y300 VanDerWaalsContact ND2-CG 3.34Å; N105-Y300 WeakPolarHBondContact OD1-CD1 3.34Å
106	Y	98.2	Very high	97.4	Very high	33 Å²	33	40.5 Å²	40.5	13%	0.129	22%	0.215	C	C	.	.	H	α-helix	trans	-65.7	-48.8	174.6	-163.5	-97.1	0	0	0	111.2	S102 D103 I104 A108 G109 Y111 F119 D120 F123 D151	S102-Y106 PolarHBondContact O-N 2.85Å; D103-Y106 WeakPolarHBondContact O-CB 3.08Å; D103-Y106 PolarHBondContact O-N 3.11Å; I104-Y106 VanDerWaalsContact C-N 3.34Å; Y106-A108 PolarHBondContact O-N 2.83Å; Y106-G109 PolarHBondContact O-N 3.36Å; Y106-Y111 AromaticContact CD2-CD2 3.82Å; Y106-Y111 HydrophobicContact CD2-CD2 3.82Å; Y106-Y111 HydrophobicContact CD2-CE2 4.32Å; Y106-Y111 AromaticContact CD2-CG 3.96Å; Y106-Y111 HydrophobicContact CD2-CG 3.96Å; Y106-Y111 HydrophobicContact CG-CD2 4.44Å; Y106-F119 HydrophobicContact CD1-CD2 4.33Å; Y106-F119 AromaticContact CD1-CE2 3.87Å; Y106-F119 HydrophobicContact CD1-CE2 3.87Å; Y106-F119 AromaticContact CE1-CD2 3.63Å; Y106-F119 HydrophobicContact CE1-CD2 3.63Å; Y106-F119 AromaticContact CE1-CE2 3.6Å; Y106-F119 HydrophobicContact CE1-CE2 3.6Å; Y106-D120 VanDerWaalsContact CE1-O 3.27Å; Y106-D120 WeakPolarHBondContact CE1-O 3.44Å; Y106-F123 AromaticContact CD2-CE1 3.49Å; Y106-F123 HydrophobicContact CD2-CE1 3.49Å; Y106-F123 VanDerWaalsContact CD2-CE1 3.49Å; Y106-F123 AromaticContact CD2-CZ 3.45Å; Y106-F123 HydrophobicContact CD2-CZ 3.45Å; Y106-F123 VanDerWaalsContact CD2-CZ 3.45Å; Y106-F123 AromaticContact CE2-CE1 3.85Å; Y106-F123 HydrophobicContact CE2-CE1 3.85Å; Y106-F123 HydrophobicContact CE2-CZ 4.28Å; Y106-F123 HydrophobicContact CG-CE1 4.01Å; Y106-F123 AromaticContact CG-CZ 3.68Å; Y106-F123 HydrophobicContact CG-CZ 3.68Å; Y106-D151 WeakPolarHBondContact OH-CB 3.31Å; Y106-D151 PolarHBondContact OH-OD2 3.34Å
107	S	98.3	Very high	97.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.9	-25.2	175.1	74.6	0	0	0	0	113.1	L67 S68 D103 I104 G109	L67-S107 WeakPolarHBondContact CA-O 3.42Å; S68-S107 PolarHBondContact N-O 3.23Å; S68-S107 VanDerWaalsContact N-O 3.11Å; S68-S107 CarbonylContact O-C 3.55Å; S68-S107 VanDerWaalsContact O-C 3.27Å; S68-S107 PolarHBondContact O-OG 2.97Å; D103-S107 PolarHBondContact O-N 2.81Å; I104-S107 WeakPolarHBondContact CA-OG 3.37Å; I104-S107 PolarHBondContact O-OG 2.77Å; S107-G109 VanDerWaalsContact C-N 3.28Å
108	A	98.1	Very high	97.4	Very high	19 Å²	19	46.3 Å²	46.3	16%	0.157	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-1.3	172.7	0	0	0	0	0	114.1	S68 Q69 I104 N105 Y106 R110	S68-A108 PolarHBondContact O-N 3.38Å; Q69-A108 HydrophobicContact CB-CB 4.18Å; I104-A108 WeakPolarHBondContact O-CB 3.47Å; I104-A108 PolarHBondContact O-N 2.96Å; N105-A108 PolarHBondContact O-N 2.8Å; Y106-A108 PolarHBondContact O-N 2.83Å; A108-R110 VanDerWaalsContact C-N 3.31Å; A108-R110 HydrophobicContact CB-CG 3.97Å; A108-R110 PolarHBondContact O-N 2.8Å
109	G	97.3	Very high	97.3	Very high	8 Å²	8	47.5 Å²	47.5	8%	0.082	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	21.7	-179.4	0	0	0	0	0	114.1	N105 Y106 S107 D112 P113	N105-G109 PolarHBondContact O-N 3.35Å; Y106-G109 PolarHBondContact O-N 3.36Å; S107-G109 VanDerWaalsContact C-N 3.28Å; G109-D112 CarbonylContact O-C 3.35Å; G109-P113 VanDerWaalsContact O-CA 3.31Å; G109-P113 WeakPolarHBondContact O-CA 3.32Å
110	R	96.8	Very high	97.3	Very high	70 Å²	70	50.3 Å²	50.3	26%	0.264	28%	0.275	S	S	.	.			trans	-80.1	-15.6	-174.2	-64.2	174.4	179.4	152.4	-0.6	114.1	N105 A108 Y300 T302 A303 G305	N105-R110 HydrophobicContact CB-CB 4.33Å; N105-R110 WeakPolarHBondContact O-CB 3.47Å; N105-R110 PolarHBondContact O-N 3.05Å; N105-R110 WeakPolarHBondContact OD1-CD 3.36Å; N105-R110 PolarHBondContact OD1-NH1 3.36Å; A108-R110 VanDerWaalsContact C-N 3.31Å; A108-R110 HydrophobicContact CB-CG 3.97Å; A108-R110 PolarHBondContact O-N 2.8Å; R110-Y300 PolarHBondContact NH1-O 2.93Å; R110-T302 PolarHBondContact NH2-O 3.34Å; R110-A303 PolarHBondContact NH2-O 3.17Å; R110-G305 VanDerWaalsContact NH1-CA 3.29Å
111	Y	94.3	Very high	97.3	Very high	100 Å²	100	49.9 Å²	49.9	39%	0.392	27%	0.273	S	S	.	.	S	Bend	trans	-77.2	-44	176.3	-82.6	-101.8	0	0	0	111.9	S102 N105 Y106 F123 F329	S102-Y111 WeakPolarHBondContact CB-OH 3.29Å; S102-Y111 WeakPolarHBondContact OG-CE2 3.38Å; S102-Y111 PolarHBondContact OG-OH 2.94Å; N105-Y111 HydrophobicContact CB-CD2 4.43Å; N105-Y111 HydrophobicContact CB-CE2 3.98Å; Y106-Y111 AromaticContact CD2-CD2 3.82Å; Y106-Y111 HydrophobicContact CD2-CD2 3.82Å; Y106-Y111 HydrophobicContact CD2-CE2 4.32Å; Y106-Y111 AromaticContact CD2-CG 3.96Å; Y106-Y111 HydrophobicContact CD2-CG 3.96Å; Y106-Y111 HydrophobicContact CG-CD2 4.44Å; Y111-F123 HydrophobicContact CE1-CZ 4.33Å; Y111-F123 AromaticContact CE2-CZ 3.92Å; Y111-F123 HydrophobicContact CE2-CZ 3.92Å; Y111-F123 AromaticContact CZ-CZ 3.78Å; Y111-F329 HydrophobicContact CD1-CZ 4.48Å; Y111-F329 HydrophobicContact CE1-CE2 4.13Å; Y111-F329 HydrophobicContact CE1-CZ 4.14Å
112	D	94.6	Very high	97.2	Very high	72 Å²	72	48.6 Å²	48.6	39%	0.385	26%	0.263	S	S	.	.			trans	-143	99.5	172.2	-174.2	-16.4	0	0	0	108.9	G109 T114 V115	G109-D112 CarbonylContact O-C 3.35Å; D112-T114 VanDerWaalsContact CG-OG1 3.32Å; D112-T114 PolarHBondContact O-N 3.5Å; D112-T114 VanDerWaalsContact OD1-CB 3.28Å; D112-T114 WeakPolarHBondContact OD1-CB 3.26Å; D112-T114 WeakPolarHBondContact OD1-CG2 3.23Å; D112-T114 PolarHBondContact OD1-N 2.95Å; D112-T114 PolarHBondContact OD1-OG1 2.95Å; D112-T114 PolarHBondContact OD2-OG1 3.35Å; D112-V115 HydrophobicContact CB-CG2 3.89Å; D112-V115 PolarHBondContact O-N 3.36Å
113	P	92.9	Very high	97.3	Very high	105 Å²	105	48 Å²	48	68%	0.682	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-9.8	179.9	-23.6	34.5	0	0	0	114.6	G109	G109-P113 VanDerWaalsContact O-CA 3.31Å; G109-P113 WeakPolarHBondContact O-CA 3.32Å
114	T	96.6	Very high	97.3	Very high	112 Å²	112	47.8 Å²	47.8	69%	0.687	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-21.6	178.7	75.7	0	0	0	0	112.6	D112	D112-T114 VanDerWaalsContact CG-OG1 3.32Å; D112-T114 PolarHBondContact O-N 3.5Å; D112-T114 VanDerWaalsContact OD1-CB 3.28Å; D112-T114 WeakPolarHBondContact OD1-CB 3.26Å; D112-T114 WeakPolarHBondContact OD1-CG2 3.23Å; D112-T114 PolarHBondContact OD1-N 2.95Å; D112-T114 PolarHBondContact OD1-OG1 2.95Å; D112-T114 PolarHBondContact OD2-OG1 3.35Å
115	V	95.9	Very high	97.3	Very high	59 Å²	59	47.7 Å²	47.7	36%	0.358	26%	0.256	S	S	.	.			trans	-74.5	127.1	178.1	177.6	0	0	0	0	109.7	D112 F119	D112-V115 HydrophobicContact CB-CG2 3.89Å; D112-V115 PolarHBondContact O-N 3.36Å; V115-F119 HydrophobicContact CG1-CB 4.34Å; V115-F119 HydrophobicContact CG1-CD1 3.62Å; V115-F119 HydrophobicContact CG1-CE1 4.06Å; V115-F119 HydrophobicContact CG1-CG 4.05Å
116	K	97.3	Very high	97.3	Very high	171 Å²	171	47.1 Å²	47.1	74%	0.743	25%	0.253	S	S	*	.			trans	-106.8	142.5	178.6	-63.2	-176.8	-177.9	179.8	0	110.1
117	P	97.8	Very high	97.2	Very high	40 Å²	40	45.6 Å²	45.6	26%	0.26	25%	0.247	S	C	.	.	S	Bend	trans	-53.2	149	169.4	-28.2	36.8	0	0	0	112.8	V64 T65 L67 F119	V64-P117 HydrophobicContact CG1-CG 4.48Å; V64-P117 WeakPolarHBondContact O-CB 3.05Å; T65-P117 VanDerWaalsContact C-CB 3.49Å; T65-P117 WeakPolarHBondContact O-CB 3.4Å; L67-P117 HydrophobicContact CD2-CG 3.81Å; L67-P117 HydrophobicContact CG-CG 3.9Å; P117-F119 HydrophobicContact CG-CD1 4.42Å; P117-F119 HydrophobicContact CG-CE1 3.93Å
118	P	97.8	Very high	97.2	Very high	102 Å²	102	47.6 Å²	47.6	66%	0.662	26%	0.257	S	S	*	.			cis	-83.4	142.7	2.1	32.3	-33.7	0	0	0	114	V63 V64	V63-P118 HydrophobicContact CG1-CB 3.64Å; V64-P118 VanDerWaalsContact O-CA 3.29Å; V64-P118 WeakPolarHBondContact O-CA 3.12Å
119	F	98.3	Very high	97.1	Very high	25 Å²	25	46.8 Å²	46.8	11%	0.11	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	158.5	167.9	55.6	-94.2	0	0	0	111.2	V63 V64 L67 Y106 V115 P117	V63-F119 WeakPolarHBondContact CG1-O 3.31Å; V64-F119 HydrophobicContact CB-CD1 4.45Å; V64-F119 HydrophobicContact CB-CD2 3.87Å; V64-F119 HydrophobicContact CB-CE1 4.21Å; V64-F119 HydrophobicContact CB-CE2 3.61Å; V64-F119 HydrophobicContact CB-CG 4.3Å; V64-F119 HydrophobicContact CB-CZ 3.79Å; V64-F119 HydrophobicContact CG1-CE1 4.02Å; V64-F119 HydrophobicContact CG1-CE2 3.89Å; V64-F119 HydrophobicContact CG1-CZ 3.57Å; V64-F119 HydrophobicContact CG2-CD2 3.84Å; V64-F119 HydrophobicContact CG2-CE2 3.48Å; V64-F119 VanDerWaalsContact CG2-CE2 3.48Å; V64-F119 HydrophobicContact CG2-CZ 4.08Å; V64-F119 PolarHBondContact N-O 3.46Å; V64-F119 PolarHBondContact O-N 3.38Å; L67-F119 HydrophobicContact CD2-CE1 3.73Å; L67-F119 HydrophobicContact CD2-CZ 3.79Å; Y106-F119 HydrophobicContact CD1-CD2 4.33Å; Y106-F119 AromaticContact CD1-CE2 3.87Å; Y106-F119 HydrophobicContact CD1-CE2 3.87Å; Y106-F119 AromaticContact CE1-CD2 3.63Å; Y106-F119 HydrophobicContact CE1-CD2 3.63Å; Y106-F119 AromaticContact CE1-CE2 3.6Å; Y106-F119 HydrophobicContact CE1-CE2 3.6Å; V115-F119 HydrophobicContact CG1-CB 4.34Å; V115-F119 HydrophobicContact CG1-CD1 3.62Å; V115-F119 HydrophobicContact CG1-CE1 4.06Å; V115-F119 HydrophobicContact CG1-CG 4.05Å; P117-F119 HydrophobicContact CG-CD1 4.42Å; P117-F119 HydrophobicContact CG-CE1 3.93Å
120	D	98.2	Very high	97	Very high	62 Å²	62	47.3 Å²	47.3	33%	0.332	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	147.6	-170.9	-66.9	-15.9	0	0	0	112.4	K61 Y106	K61-D120 VanDerWaalsContact CE-OD1 3.28Å; K61-D120 WeakPolarHBondContact CE-OD1 3.23Å; K61-D120 IonicContact NZ-OD1 2.8Å; K61-D120 PolarHBondContact NZ-OD1 3.05Å; K61-D120 IonicContact NZ-OD2 2.66Å; K61-D120 PolarHBondContact NZ-OD2 2.65Å; Y106-D120 VanDerWaalsContact CE1-O 3.27Å; Y106-D120 WeakPolarHBondContact CE1-O 3.44Å
121	A	98.1	Very high	96.8	Very high	2 Å²	2	44.4 Å²	44.4	2%	0.017	24%	0.243	C	C	.	.			trans	-104.5	159.2	-177	0	0	0	0	0	113.5	L62 V64 V75 G152 A153 F154	L62-A121 HydrophobicContact CB-CB 4.3Å; L62-A121 PolarHBondContact O-N 3.26Å; V64-A121 HydrophobicContact CG2-CB 4.17Å; V75-A121 HydrophobicContact CG1-CB 4.46Å; A121-G152 CarbonylContact O-C 3.43Å; A121-G152 VanDerWaalsContact O-C 3.29Å; A121-G152 VanDerWaalsContact O-CA 3.27Å; A121-G152 WeakPolarHBondContact O-CA 3.18Å; A121-A153 PolarHBondContact O-N 2.8Å; A121-F154 HydrophobicContact CB-CD2 3.81Å; A121-F154 WeakPolarHBondContact O-CB 2.92Å; A121-F154 PolarHBondContact O-N 2.79Å
122	G	98.3	Very high	96.9	Very high	2 Å²	2	40.3 Å²	40.3	2%	0.021	23%	0.228	C	C	.	.			trans	90	147.7	173.6	0	0	0	0	0	113.9	D151 G152 A153	G122-D151 CarbonylContact O-C 3.56Å; G122-D151 WeakPolarHBondContact O-CA 3.37Å; G122-G152 PolarHBondContact O-N 3.34Å; G122-A153 PolarHBondContact O-N 2.94Å
123	F	98.4	Very high	96.9	Very high	8 Å²	8	37 Å²	37	4%	0.035	21%	0.211	C	C	.	.	S	Bend	trans	-109.5	-25.2	-169.2	-72.2	-56.7	0	0	0	115.7	N100 D103 Y106 Y111 F149 A150	N100-F123 HydrophobicContact CB-CD2 4.1Å; D103-F123 WeakPolarHBondContact OD1-CD2 3.43Å; Y106-F123 AromaticContact CD2-CE1 3.49Å; Y106-F123 HydrophobicContact CD2-CE1 3.49Å; Y106-F123 VanDerWaalsContact CD2-CE1 3.49Å; Y106-F123 AromaticContact CD2-CZ 3.45Å; Y106-F123 HydrophobicContact CD2-CZ 3.45Å; Y106-F123 VanDerWaalsContact CD2-CZ 3.45Å; Y106-F123 AromaticContact CE2-CE1 3.85Å; Y106-F123 HydrophobicContact CE2-CE1 3.85Å; Y106-F123 HydrophobicContact CE2-CZ 4.28Å; Y106-F123 HydrophobicContact CG-CE1 4.01Å; Y106-F123 AromaticContact CG-CZ 3.68Å; Y106-F123 HydrophobicContact CG-CZ 3.68Å; Y111-F123 HydrophobicContact CE1-CZ 4.33Å; Y111-F123 AromaticContact CE2-CZ 3.92Å; Y111-F123 HydrophobicContact CE2-CZ 3.92Å; Y111-F123 AromaticContact CZ-CZ 3.78Å; F123-F149 HydrophobicContact CB-CD2 4.11Å; F123-F149 HydrophobicContact CB-CE2 3.93Å; F123-F149 HydrophobicContact CD1-CE2 4.21Å; F123-F149 HydrophobicContact CG-CE2 4.29Å; F123-F149 CarbonylContact O-C 3.55Å; F123-F149 WeakPolarHBondContact O-CA 3.43Å; F123-F149 WeakPolarHBondContact O-CD2 3.47Å; F123-A150 CarbonylContact C-O 3.01Å; F123-A150 CarbonylContact O-C 3.54Å; F123-A150 PolarHBondContact O-N 3.1Å
124	E	98.6	Very high	97	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	141.5	-172.6	66.1	-167.9	137.9	0	0	112.1	V97 G98 N100 Y148 A153 L176 L179 L180 K389	V97-E124 WeakPolarHBondContact CA-O 3.38Å; G98-E124 PolarHBondContact N-O 2.85Å; G98-E124 VanDerWaalsContact N-O 3.1Å; N100-E124 PolarHBondContact ND2-OE1 3.35Å; N100-E124 PolarHBondContact OD1-OE1 2.96Å; E124-Y148 VanDerWaalsContact CA-O 3.23Å; E124-Y148 WeakPolarHBondContact CA-O 3.44Å; E124-Y148 WeakPolarHBondContact CB-O 2.99Å; E124-A153 VanDerWaalsContact C-CB 3.41Å; E124-A153 WeakPolarHBondContact O-CB 3.27Å; E124-L176 HydrophobicContact CB-CD1 4.25Å; E124-L176 HydrophobicContact CG-CD1 4.07Å; E124-L176 HydrophobicContact CG-CG 4.36Å; E124-L179 HydrophobicContact CB-CD1 4.23Å; E124-L180 WeakPolarHBondContact OE2-CB 3.33Å; E124-L180 PolarHBondContact OE2-N 3.46Å; E124-K389 WeakPolarHBondContact OE1-CE 3.33Å; E124-K389 IonicContact OE1-NZ 3.16Å; E124-K389 PolarHBondContact OE1-NZ 3.1Å
125	G	98.6	Very high	97	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	155.9	-178.1	0	0	0	0	0	111.8	F96 A147 Y148 L176	F96-G125 WeakPolarHBondContact O-CA 3.25Å; G125-A147 CarbonylContact O-C 3.31Å; G125-A147 VanDerWaalsContact O-CA 3.31Å; G125-A147 WeakPolarHBondContact O-CA 3.09Å; G125-Y148 PolarHBondContact N-O 2.87Å; G125-Y148 VanDerWaalsContact N-O 3.11Å; G125-Y148 WeakPolarHBondContact O-CD1 3.42Å; G125-Y148 PolarHBondContact O-N 3.49Å; G125-L176 VanDerWaalsContact C-CD1 3.44Å
126	I	98.6	Very high	97.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	138.5	171.1	-178.1	175.6	0	0	0	108.8	R95 F96 T145 V146 A147 V168 K172 F175 L176	R95-I126 PolarHBondContact N-O 2.93Å; F96-I126 HydrophobicContact CB-CG2 3.62Å; F96-I126 HydrophobicContact CD2-CG2 4.04Å; F96-I126 HydrophobicContact CG-CG2 4.33Å; F96-I126 PolarHBondContact N-O 3.29Å; F96-I126 PolarHBondContact O-N 3.32Å; I126-T145 HydrophobicContact CD1-CG2 4.47Å; I126-T145 HydrophobicContact CG1-CG2 4.21Å; I126-V146 WeakPolarHBondContact CA-O 3.41Å; I126-A147 HydrophobicContact CB-CB 3.96Å; I126-A147 HydrophobicContact CD1-CB 4.25Å; I126-A147 HydrophobicContact CG1-CB 3.92Å; I126-V168 HydrophobicContact CD1-CG2 3.8Å; I126-V168 HydrophobicContact CG1-CG2 4.21Å; I126-K172 WeakPolarHBondContact CD1-O 3.19Å; I126-F175 HydrophobicContact CD1-CB 4.04Å; I126-L176 HydrophobicContact CB-CD1 4.03Å; I126-L176 HydrophobicContact CG2-CB 3.99Å; I126-L176 HydrophobicContact CG2-CD1 3.91Å; I126-L176 HydrophobicContact CG2-CD2 4.37Å; I126-L176 HydrophobicContact CG2-CG 4.33Å
127	G	97.4	Very high	96.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.5	-171.5	-176.1	0	0	0	0	0	113.4	R93 T145 V146	R93-G127 WeakPolarHBondContact O-CA 3.39Å; G127-T145 WeakPolarHBondContact O-CA 3.4Å; G127-T145 WeakPolarHBondContact O-CG2 3.43Å; G127-V146 PolarHBondContact N-O 3.01Å; G127-V146 PolarHBondContact O-N 3.2Å; G127-V146 VanDerWaalsContact O-O 3.11Å
128	E	96.7	Very high	96.8	Very high	43 Å²	43	28.7 Å²	28.7	20%	0.201	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	141.9	179.5	-50.5	95.5	146.2	0	0	111.5	V92 R93 R95 V130 D144 V171	V92-E128 WeakPolarHBondContact CA-O 3.31Å; R93-E128 PolarHBondContact N-O 3.42Å; R93-E128 PolarHBondContact O-N 3.09Å; R95-E128 WeakPolarHBondContact CG-OE2 3.37Å; R95-E128 IonicContact CZ-OE1 3.41Å; R95-E128 IonicContact CZ-OE2 2.75Å; R95-E128 VanDerWaalsContact NE-CD 3.3Å; R95-E128 IonicContact NE-OE1 3.72Å; R95-E128 PolarHBondContact NE-OE1 2.82Å; R95-E128 IonicContact NE-OE2 3.02Å; R95-E128 PolarHBondContact NE-OE2 2.85Å; R95-E128 IonicContact NH2-OE1 2.7Å; R95-E128 PolarHBondContact NH2-OE1 3.28Å; R95-E128 IonicContact NH2-OE2 2.69Å; E128-V130 PolarHBondContact O-N 3.17Å; E128-D144 CarbonylContact C-O 3.55Å; E128-D144 WeakPolarHBondContact CA-O 3.34Å; E128-V171 HydrophobicContact CG-CG2 3.83Å
129	V	96.6	Very high	96.7	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	118.4	168.8	180	0	0	0	0	108.4	L90 L132 V142 G143 D144 V146	L90-V129 HydrophobicContact CB-CG1 4.49Å; L90-V129 HydrophobicContact CD1-CG2 4Å; L90-V129 HydrophobicContact CD2-CG1 4.29Å; V129-L132 HydrophobicContact CG1-CB 4.32Å; V129-L132 HydrophobicContact CG1-CD2 4.08Å; V129-V142 CarbonylContact O-C 3.21Å; V129-V142 WeakPolarHBondContact O-CA 3.43Å; V129-G143 PolarHBondContact O-N 3.36Å; V129-D144 HydrophobicContact CB-CB 4.49Å; V129-D144 HydrophobicContact CG2-CB 4.13Å; V129-D144 PolarHBondContact N-O 3.19Å; V129-V146 HydrophobicContact CG2-CG1 3.93Å; V129-V146 HydrophobicContact CG2-CG2 3.79Å
130	V	94.6	Very high	96.6	Very high	20 Å²	20	33.3 Å²	33.3	12%	0.121	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-15.6	178.3	-65.6	0	0	0	0	113.2	I55 L91 R93 E128 Y157	I55-V130 HydrophobicContact CD1-CB 4.2Å; I55-V130 HydrophobicContact CD1-CG2 4.2Å; I55-V130 WeakPolarHBondContact CD1-O 3.37Å; I55-V130 HydrophobicContact CG1-CB 4.38Å; I55-V130 HydrophobicContact CG1-CG2 4.49Å; L91-V130 HydrophobicContact CB-CG2 4.31Å; L91-V130 HydrophobicContact CD2-CG2 3.88Å; L91-V130 HydrophobicContact CG-CG2 3.78Å; L91-V130 WeakPolarHBondContact O-CG2 3.44Å; L91-V130 PolarHBondContact O-N 3.17Å; R93-V130 HydrophobicContact CB-CG1 3.67Å; R93-V130 HydrophobicContact CB-CG2 4.24Å; E128-V130 PolarHBondContact O-N 3.17Å; V130-Y157 HydrophobicContact CG2-CD1 3.76Å; V130-Y157 HydrophobicContact CG2-CE1 3.85Å
131	G	93.8	Very high	96.4	Very high	9 Å²	9	34.4 Å²	34.4	9%	0.093	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	157.7	173.3	0	0	0	0	0	109.9	L91	L91-G131 PolarHBondContact N-O 3.13Å; L91-G131 PolarHBondContact O-N 3.23Å
132	L	96.8	Very high	96.2	Very high	14 Å²	14	38.8 Å²	38.8	7%	0.073	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	154.9	-179.4	62.3	162	0	0	0	111.4	D89 L90 V129 A136 S137 Y140 V142	D89-L132 WeakPolarHBondContact O-CA 3.29Å; L90-L132 HydrophobicContact CD2-CB 3.59Å; L90-L132 HydrophobicContact CD2-CD1 4.2Å; V129-L132 HydrophobicContact CG1-CB 4.32Å; V129-L132 HydrophobicContact CG1-CD2 4.08Å; L132-A136 HydrophobicContact CB-CB 4.21Å; L132-A136 HydrophobicContact CD1-CB 4.34Å; L132-S137 VanDerWaalsContact CD1-CA 3.49Å; L132-Y140 VanDerWaalsContact CD1-O 3.24Å; L132-Y140 WeakPolarHBondContact CD1-O 3.3Å; L132-V142 HydrophobicContact CD2-CG2 3.47Å; L132-V142 VanDerWaalsContact CD2-CG2 3.47Å
133	G	95	Very high	95.9	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.031	24%	0.243	C	C	.	.			trans	-74	168.2	172.5	0	0	0	0	0	113.7	G86 D87 D89 A136 S137	G86-G133 VanDerWaalsContact O-CA 3.29Å; G86-G133 WeakPolarHBondContact O-CA 3.5Å; D87-G133 CarbonylContact O-C 3.22Å; D87-G133 VanDerWaalsContact O-CA 3.26Å; D87-G133 WeakPolarHBondContact O-CA 3.41Å; D89-G133 PolarHBondContact O-N 3.24Å; G133-A136 PolarHBondContact O-N 3.47Å; G133-S137 PolarHBondContact O-N 2.84Å; G133-S137 VanDerWaalsContact O-N 3.07Å
134	L	93.9	Very high	95.7	Very high	118 Å²	118	43.4 Å²	43.4	62%	0.618	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-44.9	-175.1	-178.1	65.2	0	0	0	111.5	D87 A136 S137	D87-L134 PolarHBondContact O-N 2.91Å; D87-L134 WeakPolarHBondContact OD1-CB 3.49Å; D87-L134 PolarHBondContact OD1-N 2.83Å; L134-A136 VanDerWaalsContact C-N 3.29Å; L134-A136 PolarHBondContact O-N 2.84Å; L134-S137 WeakPolarHBondContact O-CB 3.33Å; L134-S137 PolarHBondContact O-N 2.86Å; L134-S137 PolarHBondContact O-OG 2.82Å
135	S	96.6	Very high	95.7	Very high	64 Å²	64	44.7 Å²	44.7	45%	0.448	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-37.1	174.4	-72.7	0	0	0	0	112.5	D87 S137 A138	D87-S135 WeakPolarHBondContact O-CB 3.31Å; D87-S135 PolarHBondContact O-N 3.17Å; D87-S135 VanDerWaalsContact O-N 3.12Å; D87-S135 PolarHBondContact OD1-N 2.96Å; D87-S135 WeakPolarHBondContact OD2-CB 3.45Å; D87-S135 PolarHBondContact OD2-OG 3.07Å; S135-S137 VanDerWaalsContact C-N 3.27Å; S135-S137 PolarHBondContact O-N 3.46Å; S135-A138 WeakPolarHBondContact O-CB 3.27Å; S135-A138 PolarHBondContact O-N 2.69Å
136	A	97.1	Very high	95.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-65.5	-30.7	176.7	0	0	0	0	0	113.1	D87 L90 L132 G133 L134 A138 R139 Y140 M162	D87-A136 PolarHBondContact O-N 3.31Å; D87-A136 VanDerWaalsContact O-N 3.08Å; L90-A136 HydrophobicContact CD2-CB 3.75Å; L132-A136 HydrophobicContact CB-CB 4.21Å; L132-A136 HydrophobicContact CD1-CB 4.34Å; G133-A136 PolarHBondContact O-N 3.47Å; L134-A136 VanDerWaalsContact C-N 3.29Å; L134-A136 PolarHBondContact O-N 2.84Å; A136-A138 PolarHBondContact O-N 3.48Å; A136-A138 VanDerWaalsContact O-N 3.11Å; A136-R139 PolarHBondContact O-N 2.89Å; A136-R139 VanDerWaalsContact O-N 3.09Å; A136-Y140 PolarHBondContact O-N 3.3Å; A136-Y140 VanDerWaalsContact O-N 3.13Å; A136-M162 HydrophobicContact CB-CB 4.28Å; A136-M162 HydrophobicContact CB-SD 4.13Å
137	S	94.3	Very high	95.7	Very high	43 Å²	43	44.7 Å²	44.7	30%	0.301	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-64.6	-14	179.6	78.3	0	0	0	0	114.5	L132 G133 L134 S135 R139 Y140	L132-S137 VanDerWaalsContact CD1-CA 3.49Å; G133-S137 PolarHBondContact O-N 2.84Å; G133-S137 VanDerWaalsContact O-N 3.07Å; L134-S137 WeakPolarHBondContact O-CB 3.33Å; L134-S137 PolarHBondContact O-N 2.86Å; L134-S137 PolarHBondContact O-OG 2.82Å; S135-S137 VanDerWaalsContact C-N 3.27Å; S135-S137 PolarHBondContact O-N 3.46Å; S137-R139 PolarHBondContact O-N 3.17Å; S137-Y140 WeakPolarHBondContact CA-O 3.44Å
138	A	95.4	Very high	95.7	Very high	87 Å²	87	44.7 Å²	44.7	72%	0.719	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-67.8	-16.4	173	0	0	0	0	0	113.5	S135 A136	S135-A138 WeakPolarHBondContact O-CB 3.27Å; S135-A138 PolarHBondContact O-N 2.69Å; A136-A138 PolarHBondContact O-N 3.48Å; A136-A138 VanDerWaalsContact O-N 3.11Å
139	R	96	Very high	95.7	Very high	202 Å²	202	44.9 Å²	44.9	76%	0.762	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.2	-18.3	-178.7	-59.9	-166	-173.7	-175.1	-1.8	114.9	A136 S137 M162	A136-R139 PolarHBondContact O-N 2.89Å; A136-R139 VanDerWaalsContact O-N 3.09Å; S137-R139 PolarHBondContact O-N 3.17Å; R139-M162 HydrophobicContact CB-CE 3.7Å; R139-M162 HydrophobicContact CG-CE 3.7Å
140	Y	96.3	Very high	95.5	Very high	22 Å²	22	45.4 Å²	45.4	9%	0.086	27%	0.269	C	S	.	.			trans	-129.7	156.7	-175.9	-69.7	-78.2	0	0	0	110.9	L90 L132 A136 S137 D144 V146 M162 T165 P167	L90-Y140 HydrophobicContact CD1-CD1 4.17Å; L90-Y140 HydrophobicContact CD1-CD2 3.9Å; L90-Y140 HydrophobicContact CD1-CE1 4.39Å; L90-Y140 HydrophobicContact CD1-CE2 4.1Å; L90-Y140 HydrophobicContact CD1-CG 3.92Å; L90-Y140 HydrophobicContact CD2-CD2 4.12Å; L90-Y140 HydrophobicContact CD2-CG 4.12Å; L132-Y140 VanDerWaalsContact CD1-O 3.24Å; L132-Y140 WeakPolarHBondContact CD1-O 3.3Å; A136-Y140 PolarHBondContact O-N 3.3Å; A136-Y140 VanDerWaalsContact O-N 3.13Å; S137-Y140 WeakPolarHBondContact CA-O 3.44Å; Y140-D144 VanDerWaalsContact CA-OD2 3.31Å; Y140-D144 WeakPolarHBondContact CA-OD2 3.49Å; Y140-D144 HydrophobicContact CD1-CB 4.39Å; Y140-V146 HydrophobicContact CD1-CG1 3.96Å; Y140-V146 HydrophobicContact CE1-CG1 3.56Å; Y140-M162 HydrophobicContact CD2-CB 4.16Å; Y140-M162 HydrophobicContact CD2-CE 4.13Å; Y140-M162 HydrophobicContact CE2-CB 4.01Å; Y140-M162 HydrophobicContact CE2-CE 4.16Å; Y140-T165 PolarHBondContact OH-OG1 2.96Å; Y140-P167 HydrophobicContact CE1-CB 4.39Å
141	T	94.3	Very high	95.5	Very high	85 Å²	85	48.5 Å²	48.5	52%	0.521	29%	0.285	S	S	.	.			trans	-131.9	157.5	174	62.7	0	0	0	0	110.6	G143 D144	T141-G143 PolarHBondContact O-N 2.97Å; T141-D144 PolarHBondContact N-OD2 3.35Å; T141-D144 WeakPolarHBondContact O-CB 3.33Å; T141-D144 PolarHBondContact O-N 3.14Å; T141-D144 VanDerWaalsContact O-N 3.17Å; T141-D144 PolarHBondContact OG1-OD1 3.15Å; T141-D144 PolarHBondContact OG1-OD2 3.2Å
142	V	94.2	Very high	95.6	Very high	94 Å²	94	48.3 Å²	48.3	57%	0.57	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	132.9	170.3	174.1	0	0	0	0	108.9	V129 L132	V129-V142 CarbonylContact O-C 3.21Å; V129-V142 WeakPolarHBondContact O-CA 3.43Å; L132-V142 HydrophobicContact CD2-CG2 3.47Å; L132-V142 VanDerWaalsContact CD2-CG2 3.47Å
143	G	90.6	Very high	95.7	Very high	51 Å²	51	47.7 Å²	47.7	53%	0.526	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.2	-14.8	-174.9	0	0	0	0	0	114.3	V129 T141	V129-G143 PolarHBondContact O-N 3.36Å; T141-G143 PolarHBondContact O-N 2.97Å
144	D	95.6	Very high	95.9	Very high	55 Å²	55	47.6 Å²	47.6	29%	0.294	28%	0.278	S	S	.	.			trans	-60	141.8	173.8	-76.6	-18.6	0	0	0	110.9	E128 V129 Y140 T141	E128-D144 CarbonylContact C-O 3.55Å; E128-D144 WeakPolarHBondContact CA-O 3.34Å; V129-D144 HydrophobicContact CB-CB 4.49Å; V129-D144 HydrophobicContact CG2-CB 4.13Å; V129-D144 PolarHBondContact N-O 3.19Å; Y140-D144 VanDerWaalsContact CA-OD2 3.31Å; Y140-D144 WeakPolarHBondContact CA-OD2 3.49Å; Y140-D144 HydrophobicContact CD1-CB 4.39Å; T141-D144 PolarHBondContact N-OD2 3.35Å; T141-D144 WeakPolarHBondContact O-CB 3.33Å; T141-D144 PolarHBondContact O-N 3.14Å; T141-D144 VanDerWaalsContact O-N 3.17Å; T141-D144 PolarHBondContact OG1-OD1 3.15Å; T141-D144 PolarHBondContact OG1-OD2 3.2Å
145	T	97.4	Very high	96.1	Very high	27 Å²	27	42.1 Å²	42.1	17%	0.166	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	126.4	170.7	-52.7	0	0	0	0	110.6	I126 G127 V168 V171	I126-T145 HydrophobicContact CD1-CG2 4.47Å; I126-T145 HydrophobicContact CG1-CG2 4.21Å; G127-T145 WeakPolarHBondContact O-CA 3.4Å; G127-T145 WeakPolarHBondContact O-CG2 3.43Å; T145-V168 HydrophobicContact CG2-CG2 3.39Å; T145-V168 PolarHBondContact O-N 3.19Å; T145-V171 HydrophobicContact CG2-CB 4.19Å; T145-V171 HydrophobicContact CG2-CG2 3.48Å; T145-V171 VanDerWaalsContact CG2-CG2 3.48Å
146	V	98.3	Very high	96.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.3	176.6	-63.1	0	0	0	0	110.8	L90 V92 I126 G127 V129 Y140 T165	L90-V146 HydrophobicContact CD1-CG1 4.27Å; V92-V146 HydrophobicContact CB-CG2 4.41Å; V92-V146 HydrophobicContact CG1-CG2 3.97Å; V92-V146 HydrophobicContact CG2-CG2 3.51Å; I126-V146 WeakPolarHBondContact CA-O 3.41Å; G127-V146 PolarHBondContact N-O 3.01Å; G127-V146 PolarHBondContact O-N 3.2Å; G127-V146 VanDerWaalsContact O-O 3.11Å; V129-V146 HydrophobicContact CG2-CG1 3.93Å; V129-V146 HydrophobicContact CG2-CG2 3.79Å; Y140-V146 HydrophobicContact CD1-CG1 3.96Å; Y140-V146 HydrophobicContact CE1-CG1 3.56Å; V146-T165 HydrophobicContact CB-CG2 4.47Å; V146-T165 HydrophobicContact CG2-CG2 4.48Å
147	A	98.4	Very high	96.2	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	152.3	171.9	0	0	0	0	0	108.8	G125 I126 V166 V168 L179	G125-A147 CarbonylContact O-C 3.31Å; G125-A147 VanDerWaalsContact O-CA 3.31Å; G125-A147 WeakPolarHBondContact O-CA 3.09Å; I126-A147 HydrophobicContact CB-CB 3.96Å; I126-A147 HydrophobicContact CD1-CB 4.25Å; I126-A147 HydrophobicContact CG1-CB 3.92Å; A147-V166 PolarHBondContact N-O 2.92Å; A147-V166 PolarHBondContact O-N 2.74Å; A147-V168 HydrophobicContact CB-CG1 3.94Å; A147-V168 HydrophobicContact CB-CG2 4.33Å; A147-L179 HydrophobicContact CB-CD1 3.8Å; A147-L179 HydrophobicContact CB-CD2 4.01Å; A147-L179 HydrophobicContact CB-CG 4.34Å
148	Y	98.3	Very high	96.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	152.2	-175.8	64.5	-90.6	0	0	0	112.3	V92 N94 E124 G125 A150 A153 T158 I160 L179	V92-Y148 HydrophobicContact CB-CE1 4.33Å; V92-Y148 HydrophobicContact CG1-CE1 4.18Å; N94-Y148 PolarHBondContact ND2-OH 2.75Å; N94-Y148 WeakPolarHBondContact OD1-CE1 3.46Å; N94-Y148 PolarHBondContact OD1-OH 3.05Å; E124-Y148 VanDerWaalsContact CA-O 3.23Å; E124-Y148 WeakPolarHBondContact CA-O 3.44Å; E124-Y148 WeakPolarHBondContact CB-O 2.99Å; G125-Y148 PolarHBondContact N-O 2.87Å; G125-Y148 VanDerWaalsContact N-O 3.11Å; G125-Y148 WeakPolarHBondContact O-CD1 3.42Å; G125-Y148 PolarHBondContact O-N 3.49Å; Y148-A150 HydrophobicContact CD2-CB 4.09Å; Y148-A153 HydrophobicContact CE2-CB 3.93Å; Y148-T158 HydrophobicContact CE2-CG2 4.29Å; Y148-T158 VanDerWaalsContact OH-CB 3.25Å; Y148-T158 WeakPolarHBondContact OH-CB 3.29Å; Y148-T158 PolarHBondContact OH-OG1 2.98Å; Y148-I160 HydrophobicContact CD1-CG1 4.02Å; Y148-I160 HydrophobicContact CD2-CD1 3.57Å; Y148-I160 HydrophobicContact CD2-CG1 3.78Å; Y148-I160 HydrophobicContact CE1-CG1 4.1Å; Y148-I160 HydrophobicContact CE2-CD1 3.6Å; Y148-I160 HydrophobicContact CE2-CG1 3.87Å; Y148-I160 HydrophobicContact CG-CD1 4.15Å; Y148-I160 HydrophobicContact CG-CG1 3.86Å; Y148-I160 HydrophobicContact CG-CG2 4.3Å; Y148-L179 WeakPolarHBondContact O-CD1 3.49Å
149	F	95.5	Very high	96.5	Very high	47 Å²	47	36.3 Å²	36.3	21%	0.206	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	101.2	169.2	165.5	-127.7	0	0	0	108.4	F123 L180 L330	F123-F149 HydrophobicContact CB-CD2 4.11Å; F123-F149 HydrophobicContact CB-CE2 3.93Å; F123-F149 HydrophobicContact CD1-CE2 4.21Å; F123-F149 HydrophobicContact CG-CE2 4.29Å; F123-F149 CarbonylContact O-C 3.55Å; F123-F149 WeakPolarHBondContact O-CA 3.43Å; F123-F149 WeakPolarHBondContact O-CD2 3.47Å; F149-L180 HydrophobicContact CD1-CD1 4.13Å; F149-L180 HydrophobicContact CD2-CD1 3.28Å; F149-L180 HydrophobicContact CE1-CD1 3.89Å; F149-L180 HydrophobicContact CE2-CD1 3.04Å; F149-L180 HydrophobicContact CG-CD1 3.87Å; F149-L180 HydrophobicContact CZ-CD1 3.36Å; F149-L330 HydrophobicContact CD1-CD2 4.3Å; F149-L330 HydrophobicContact CE1-CD2 4Å
150	A	94.3	Very high	96.6	Very high	13 Å²	13	26.9 Å²	26.9	11%	0.107	16%	0.164	C	C	.	.			trans	-162.6	155.9	178.8	0	0	0	0	0	110.6	F123 Y148 I160	F123-A150 CarbonylContact C-O 3.01Å; F123-A150 CarbonylContact O-C 3.54Å; F123-A150 PolarHBondContact O-N 3.1Å; Y148-A150 HydrophobicContact CD2-CB 4.09Å; A150-I160 HydrophobicContact CB-CD1 3.8Å
151	D	92.8	Very high	96.7	Very high	85 Å²	85	27.9 Å²	27.9	46%	0.455	17%	0.173	S	C	.	.	S	Bend	trans	-59.7	146.9	177.8	-57.1	-6	0	0	0	112.3	Y106 G122	Y106-D151 WeakPolarHBondContact OH-CB 3.31Å; Y106-D151 PolarHBondContact OH-OD2 3.34Å; G122-D151 CarbonylContact O-C 3.56Å; G122-D151 WeakPolarHBondContact O-CA 3.37Å
152	G	96.8	Very high	96.8	Very high	5 Å²	5	25.2 Å²	25.2	5%	0.052	16%	0.155	C	C	.	.			trans	89.5	20.2	175.8	0	0	0	0	0	115.3	A121 G122 F154 T158	A121-G152 CarbonylContact O-C 3.43Å; A121-G152 VanDerWaalsContact O-C 3.29Å; A121-G152 VanDerWaalsContact O-CA 3.27Å; A121-G152 WeakPolarHBondContact O-CA 3.18Å; G122-G152 PolarHBondContact O-N 3.34Å; G152-F154 VanDerWaalsContact C-N 3.3Å; G152-F154 PolarHBondContact O-N 3.36Å; G152-T158 PolarHBondContact O-OG1 2.84Å
153	A	98.2	Very high	96.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.164	C	C	.	.			trans	-69.3	-22.1	179.9	0	0	0	0	0	114.3	N94 V97 A121 G122 E124 Y148 A155	N94-A153 PolarHBondContact ND2-O 2.87Å; V97-A153 WeakPolarHBondContact CG1-O 3.35Å; A121-A153 PolarHBondContact O-N 2.8Å; G122-A153 PolarHBondContact O-N 2.94Å; E124-A153 VanDerWaalsContact C-CB 3.41Å; E124-A153 WeakPolarHBondContact O-CB 3.27Å; Y148-A153 HydrophobicContact CE2-CB 3.93Å; A153-A155 PolarHBondContact O-N 3.04Å
154	F	98.7	Very high	97.1	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.009	16%	0.164	C	C	.	.	S	Bend	trans	-77.4	61.7	177.6	-62	-17.5	0	0	0	111.8	K61 L62 F71 V97 I99 D103 A121 G152 L371 V374	K61-F154 CarbonylContact C-O 3.56Å; K61-F154 WeakPolarHBondContact CA-O 3.48Å; L62-F154 HydrophobicContact CB-CB 3.82Å; L62-F154 HydrophobicContact CD1-CB 4Å; L62-F154 HydrophobicContact CD1-CD2 4Å; L62-F154 HydrophobicContact CD1-CG 4.27Å; L62-F154 HydrophobicContact CG-CB 4.1Å; L62-F154 PolarHBondContact N-O 3.36Å; F71-F154 HydrophobicContact CE2-CE2 4.38Å; F71-F154 HydrophobicContact CZ-CD2 4.14Å; F71-F154 AromaticContact CZ-CE2 3.86Å; F71-F154 HydrophobicContact CZ-CE2 3.86Å; V97-F154 HydrophobicContact CB-CD1 3.94Å; V97-F154 HydrophobicContact CB-CE1 4.16Å; V97-F154 HydrophobicContact CG2-CD1 3.8Å; V97-F154 HydrophobicContact CG2-CE1 4.04Å; I99-F154 HydrophobicContact CD1-CE1 3.81Å; I99-F154 HydrophobicContact CD1-CZ 3.64Å; D103-F154 WeakPolarHBondContact OD2-CZ 3.31Å; A121-F154 HydrophobicContact CB-CD2 3.81Å; A121-F154 WeakPolarHBondContact O-CB 2.92Å; A121-F154 PolarHBondContact O-N 2.79Å; G152-F154 VanDerWaalsContact C-N 3.3Å; G152-F154 PolarHBondContact O-N 3.36Å; F154-L371 HydrophobicContact CB-CD2 4.44Å; F154-V374 HydrophobicContact CD2-CG1 3.86Å; F154-V374 HydrophobicContact CE1-CG1 4.48Å; F154-V374 HydrophobicContact CE2-CG1 3.66Å; F154-V374 HydrophobicContact CG-CG1 4.37Å; F154-V374 HydrophobicContact CZ-CG1 4Å
155	A	98.5	Very high	97.2	Very high	3 Å²	3	29.1 Å²	29.1	3%	0.025	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-143.6	155.1	179	0	0	0	0	0	109.8	M59 K61 N94 A153 Y157	M59-A155 HydrophobicContact CE-CB 4.42Å; K61-A155 HydrophobicContact CB-CB 3.55Å; N94-A155 WeakPolarHBondContact CB-O 3.46Å; N94-A155 PolarHBondContact ND2-O 3.12Å; A153-A155 PolarHBondContact O-N 3.04Å; A155-Y157 VanDerWaalsContact C-N 3.3Å; A155-Y157 WeakPolarHBondContact CB-O 3.36Å
156	E	98.3	Very high	97.2	Very high	17 Å²	17	29 Å²	29	8%	0.079	15%	0.153	C	C	.	.	S	Bend	trans	-67.4	-33.6	171.2	-67.7	176.3	147	0	0	111.9	M59 K60 R93 N94 L371 V394 P396 P397	M59-E156 VanDerWaalsContact CA-OE2 3.26Å; M59-E156 WeakPolarHBondContact CA-OE2 3.32Å; M59-E156 HydrophobicContact CB-CB 4.15Å; M59-E156 WeakPolarHBondContact CB-OE2 3.32Å; K60-E156 HydrophobicContact CB-CG 4.28Å; K60-E156 PolarHBondContact N-OE2 2.8Å; K60-E156 PolarHBondContact O-N 2.95Å; R93-E156 CarbonylContact C-O 3.58Å; R93-E156 WeakPolarHBondContact CA-O 3.39Å; N94-E156 PolarHBondContact N-O 2.96Å; E156-L371 HydrophobicContact CG-CD1 4.14Å; E156-V394 HydrophobicContact CG-CG1 4.11Å; E156-P396 HydrophobicContact CB-CB 4.06Å; E156-P396 HydrophobicContact CG-CB 4.24Å; E156-P397 WeakPolarHBondContact OE1-CD 3.33Å
157	Y	97.9	Very high	97.1	Very high	1 Å²	1	32.8 Å²	32.8	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	140.6	173.1	-54.2	-104.5	0	0	0	111	I55 P56 M59 V82 L91 V92 R93 V130 A155	I55-Y157 HydrophobicContact CG2-CE1 4.36Å; P56-Y157 VanDerWaalsContact CD-OH 3.23Å; P56-Y157 WeakPolarHBondContact CD-OH 3.33Å; P56-Y157 HydrophobicContact CG-CE2 3.85Å; M59-Y157 HydrophobicContact CB-CD2 3.87Å; M59-Y157 HydrophobicContact CB-CE2 4.39Å; M59-Y157 WeakPolarHBondContact CE-O 3.43Å; M59-Y157 VanDerWaalsContact SD-CB 3.6Å; M59-Y157 HydrophobicContact SD-CD2 3.92Å; M59-Y157 HydrophobicContact SD-CG 4.24Å; M59-Y157 VanDerWaalsContact SD-O 3.33Å; V82-Y157 HydrophobicContact CG1-CG 4.31Å; V82-Y157 HydrophobicContact CG2-CD2 4.08Å; V82-Y157 HydrophobicContact CG2-CE2 4.41Å; L91-Y157 HydrophobicContact CG-CD1 4.48Å; V92-Y157 CarbonylContact O-C 3.29Å; V92-Y157 WeakPolarHBondContact O-CA 3.23Å; R93-Y157 HydrophobicContact CB-CD1 3.76Å; R93-Y157 HydrophobicContact CB-CE1 3.63Å; R93-Y157 HydrophobicContact CG-CD1 4.08Å; R93-Y157 HydrophobicContact CG-CE1 3.62Å; V130-Y157 HydrophobicContact CG2-CD1 3.76Å; V130-Y157 HydrophobicContact CG2-CE1 3.85Å; A155-Y157 VanDerWaalsContact C-N 3.3Å; A155-Y157 WeakPolarHBondContact CB-O 3.36Å
158	T	98.3	Very high	97	Very high	10 Å²	10	33.4 Å²	33.4	6%	0.061	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	133.7	178.4	-53.5	0	0	0	0	110.2	V92 N94 Y148 G152 I160	V92-T158 PolarHBondContact N-O 3.38Å; V92-T158 PolarHBondContact O-N 2.87Å; N94-T158 PolarHBondContact ND2-OG1 2.83Å; Y148-T158 HydrophobicContact CE2-CG2 4.29Å; Y148-T158 VanDerWaalsContact OH-CB 3.25Å; Y148-T158 WeakPolarHBondContact OH-CB 3.29Å; Y148-T158 PolarHBondContact OH-OG1 2.98Å; G152-T158 PolarHBondContact O-OG1 2.84Å; T158-I160 HydrophobicContact CG2-CD1 3.55Å; T158-I160 HydrophobicContact CG2-CG1 3.8Å
159	V	98.3	Very high	96.8	Very high	43 Å²	43	38.5 Å²	38.5	26%	0.261	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	124	169.3	172.5	0	0	0	0	108.9	P83 P85 D89 L90 L91	P83-V159 HydrophobicContact CB-CG2 3.75Å; P83-V159 HydrophobicContact CG-CG2 3.75Å; P85-V159 HydrophobicContact CB-CG1 4.42Å; P85-V159 HydrophobicContact CB-CG2 4.42Å; D89-V159 HydrophobicContact CB-CG1 3.64Å; L90-V159 CarbonylContact O-C 3.47Å; L90-V159 VanDerWaalsContact O-CA 3.3Å; L90-V159 WeakPolarHBondContact O-CA 3.27Å; L91-V159 HydrophobicContact CD1-CG2 3.8Å
160	I	98	Very high	96.8	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	131.2	-178	-61.4	-65.5	0	0	0	109.9	L90 Y148 A150 T158 M162 K164 T165	L90-I160 PolarHBondContact N-O 3.45Å; L90-I160 PolarHBondContact O-N 3.14Å; Y148-I160 HydrophobicContact CD1-CG1 4.02Å; Y148-I160 HydrophobicContact CD2-CD1 3.57Å; Y148-I160 HydrophobicContact CD2-CG1 3.78Å; Y148-I160 HydrophobicContact CE1-CG1 4.1Å; Y148-I160 HydrophobicContact CE2-CD1 3.6Å; Y148-I160 HydrophobicContact CE2-CG1 3.87Å; Y148-I160 HydrophobicContact CG-CD1 4.15Å; Y148-I160 HydrophobicContact CG-CG1 3.86Å; Y148-I160 HydrophobicContact CG-CG2 4.3Å; A150-I160 HydrophobicContact CB-CD1 3.8Å; T158-I160 HydrophobicContact CG2-CD1 3.55Å; T158-I160 HydrophobicContact CG2-CG1 3.8Å; I160-M162 PolarHBondContact O-N 3.11Å; I160-K164 HydrophobicContact CG2-CB 4Å; I160-T165 HydrophobicContact CB-CG2 4.24Å; I160-T165 HydrophobicContact CG2-CG2 3.57Å
161	P	97.9	Very high	96.8	Very high	44 Å²	44	38.9 Å²	38.9	29%	0.286	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	132.5	171	-25.7	34.4	0	0	0	111.4	D89 I163 K164	D89-P161 VanDerWaalsContact OD1-CA 3.28Å; D89-P161 WeakPolarHBondContact OD1-CA 3.38Å; P161-I163 HydrophobicContact CB-CG1 3.98Å; P161-I163 PolarHBondContact O-N 2.87Å; P161-K164 HydrophobicContact CG-CD 4.47Å; P161-K164 PolarHBondContact O-N 2.96Å
162	M	96.7	Very high	97	Very high	29 Å²	29	40.2 Å²	40.2	14%	0.143	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-55.7	-22.3	-176.7	71.1	176	-66.7	0	0	113.9	G88 L90 A136 R139 Y140 I160 K164 T165	G88-M162 WeakPolarHBondContact O-CB 3.46Å; G88-M162 WeakPolarHBondContact O-CG 3.42Å; G88-M162 PolarHBondContact O-N 3.34Å; L90-M162 HydrophobicContact CG-CB 4.25Å; A136-M162 HydrophobicContact CB-CB 4.28Å; A136-M162 HydrophobicContact CB-SD 4.13Å; R139-M162 HydrophobicContact CB-CE 3.7Å; R139-M162 HydrophobicContact CG-CE 3.7Å; Y140-M162 HydrophobicContact CD2-CB 4.16Å; Y140-M162 HydrophobicContact CD2-CE 4.13Å; Y140-M162 HydrophobicContact CE2-CB 4.01Å; Y140-M162 HydrophobicContact CE2-CE 4.16Å; I160-M162 PolarHBondContact O-N 3.11Å; M162-K164 VanDerWaalsContact C-N 3.32Å; M162-T165 PolarHBondContact O-OG1 3.47Å
163	I	95.6	Very high	97.1	Very high	147 Å²	147	40.9 Å²	40.9	75%	0.754	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-78	-16.9	179.1	57.9	158.7	0	0	0	113.2	P161	P161-I163 HydrophobicContact CB-CG1 3.98Å; P161-I163 PolarHBondContact O-N 2.87Å
164	K	95.9	Very high	97.1	Very high	121 Å²	121	43.9 Å²	43.9	53%	0.526	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-97.4	-0.6	177.7	-68.4	-170.7	175.7	-176.2	0	112.6	I160 P161 M162	I160-K164 HydrophobicContact CG2-CB 4Å; P161-K164 HydrophobicContact CG-CD 4.47Å; P161-K164 PolarHBondContact O-N 2.96Å; M162-K164 VanDerWaalsContact C-N 3.32Å
165	T	96.8	Very high	97.1	Very high	14 Å²	14	44.7 Å²	44.7	9%	0.086	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	153.4	178.2	61.7	0	0	0	0	112.1	L90 Y140 V146 I160 M162	L90-T165 HydrophobicContact CD1-CG2 3.9Å; Y140-T165 PolarHBondContact OH-OG1 2.96Å; V146-T165 HydrophobicContact CB-CG2 4.47Å; V146-T165 HydrophobicContact CG2-CG2 4.48Å; I160-T165 HydrophobicContact CB-CG2 4.24Å; I160-T165 HydrophobicContact CG2-CG2 3.57Å; M162-T165 PolarHBondContact O-OG1 3.47Å
166	V	96.8	Very high	97.1	Very high	23 Å²	23	44.5 Å²	44.5	14%	0.139	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	117.2	172.7	-175.7	0	0	0	0	107.2	A147 L179 Y337 M341 M345	A147-V166 PolarHBondContact N-O 2.92Å; A147-V166 PolarHBondContact O-N 2.74Å; V166-L179 HydrophobicContact CB-CD2 4.37Å; V166-L179 HydrophobicContact CG2-CD2 4.2Å; V166-Y337 HydrophobicContact CG2-CE1 4.02Å; V166-M341 HydrophobicContact CG1-CE 4.29Å; V166-M345 HydrophobicContact CG1-CE 3.4Å; V166-M345 VanDerWaalsContact CG1-CE 3.4Å
167	P	96.6	Very high	97.1	Very high	81 Å²	81	43.7 Å²	43.7	53%	0.526	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	137	173.8	27.1	-31.1	0	0	0	109.8	Y140	Y140-P167 HydrophobicContact CE1-CB 4.39Å
168	V	96.6	Very high	97.1	Very high	13 Å²	13	43.7 Å²	43.7	8%	0.079	24%	0.24	C	C	.	.			trans	-132.9	151.6	-178.9	-64.6	0	0	0	0	109.7	I126 T145 A147 A170 F175 M345	I126-V168 HydrophobicContact CD1-CG2 3.8Å; I126-V168 HydrophobicContact CG1-CG2 4.21Å; T145-V168 HydrophobicContact CG2-CG2 3.39Å; T145-V168 PolarHBondContact O-N 3.19Å; A147-V168 HydrophobicContact CB-CG1 3.94Å; A147-V168 HydrophobicContact CB-CG2 4.33Å; V168-A170 VanDerWaalsContact C-N 3.29Å; V168-A170 PolarHBondContact O-N 2.98Å; V168-F175 HydrophobicContact CB-CB 4.35Å; V168-F175 HydrophobicContact CB-CD2 4.36Å; V168-F175 HydrophobicContact CB-CG 4.21Å; V168-F175 HydrophobicContact CG1-CB 4.06Å; V168-F175 HydrophobicContact CG1-CG 4.3Å; V168-M345 HydrophobicContact CG1-CE 3.68Å
169	P	94.4	Very high	97.1	Very high	106 Å²	106	43.2 Å²	43.2	69%	0.688	24%	0.237	S	C	*	.	S	Bend	trans	-75.6	-16.2	-169.3	30.3	-36.9	0	0	0	114	F175	P169-F175 HydrophobicContact CG-CE1 3.82Å; P169-F175 HydrophobicContact CG-CE2 3.69Å; P169-F175 HydrophobicContact CG-CZ 3.22Å
170	A	94.8	Very high	97.1	Very high	32 Å²	32	42.6 Å²	42.6	26%	0.264	23%	0.233	S	C	.	.	S	Bend	trans	-162.1	157.3	177.6	0	0	0	0	0	110.7	V168 K172 F175	V168-A170 VanDerWaalsContact C-N 3.29Å; V168-A170 PolarHBondContact O-N 2.98Å; A170-K172 VanDerWaalsContact C-N 3.3Å; A170-K172 HydrophobicContact CB-CD 4.39Å; A170-K172 HydrophobicContact CB-CG 4.03Å; A170-K172 PolarHBondContact O-N 3.21Å; A170-F175 WeakPolarHBondContact O-CD2 3.48Å
171	V	95	Very high	97.1	Very high	37 Å²	37	42.8 Å²	42.8	22%	0.224	23%	0.234	C	C	.	.			trans	-72.8	87.8	170.3	-175.7	0	0	0	0	108.2	R95 F96 E128 T145	R95-V171 HydrophobicContact CB-CG1 3.35Å; R95-V171 HydrophobicContact CG-CG1 3.6Å; F96-V171 HydrophobicContact CD2-CG1 3.96Å; F96-V171 HydrophobicContact CE2-CG1 3.9Å; E128-V171 HydrophobicContact CG-CG2 3.83Å; T145-V171 HydrophobicContact CG2-CB 4.19Å; T145-V171 HydrophobicContact CG2-CG2 3.48Å; T145-V171 VanDerWaalsContact CG2-CG2 3.48Å
172	K	97	Very high	97.2	Very high	112 Å²	112	40.7 Å²	40.7	49%	0.487	22%	0.221	S	C	.	.			trans	-132.4	133.5	177.3	-69.1	-169.4	178.1	-172.4	0	110.4	I126 A170 E174 F175	I126-K172 WeakPolarHBondContact CD1-O 3.19Å; A170-K172 VanDerWaalsContact C-N 3.3Å; A170-K172 HydrophobicContact CB-CD 4.39Å; A170-K172 HydrophobicContact CB-CG 4.03Å; A170-K172 PolarHBondContact O-N 3.21Å; K172-E174 WeakPolarHBondContact CB-OE2 3.49Å; K172-E174 PolarHBondContact O-N 3.32Å; K172-E174 VanDerWaalsContact O-N 3.16Å; K172-F175 HydrophobicContact CB-CD2 3.8Å; K172-F175 HydrophobicContact CB-CE2 3.96Å; K172-F175 HydrophobicContact CD-CE2 4.32Å; K172-F175 HydrophobicContact CG-CE2 4.42Å; K172-F175 PolarHBondContact O-N 3.1Å; K172-F175 VanDerWaalsContact O-N 3.13Å
173	P	97.8	Very high	97.3	Very high	20 Å²	20	39.3 Å²	39.3	13%	0.13	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-23	-175	27.8	-36.2	0	0	0	112.9	F96 F175 L176 T177 V357 V391	F96-P173 HydrophobicContact CD1-CB 4.18Å; F96-P173 HydrophobicContact CD2-CB 4.36Å; F96-P173 HydrophobicContact CE1-CB 4.48Å; F96-P173 HydrophobicContact CE1-CG 4.47Å; F96-P173 HydrophobicContact CG-CB 4.12Å; F96-P173 HydrophobicContact CZ-CG 4.45Å; P173-F175 VanDerWaalsContact C-N 3.28Å; P173-F175 PolarHBondContact O-N 3.39Å; P173-L176 VanDerWaalsContact O-CB 3.22Å; P173-L176 WeakPolarHBondContact O-CB 3.37Å; P173-L176 PolarHBondContact O-N 2.86Å; P173-T177 WeakPolarHBondContact O-CG2 3.35Å; P173-T177 PolarHBondContact O-N 2.91Å; P173-V357 HydrophobicContact CB-CG1 3.93Å; P173-V357 HydrophobicContact CB-CG2 4.12Å; P173-V357 HydrophobicContact CG-CG1 4.17Å; P173-V357 HydrophobicContact CG-CG2 4.31Å; P173-V391 HydrophobicContact CB-CG1 4.01Å; P173-V391 HydrophobicContact CB-CG2 4.47Å
174	E	98.4	Very high	97.4	Very high	63 Å²	63	33.1 Å²	33.1	29%	0.294	18%	0.183	S	C	.	.	H	α-helix	trans	-59.8	-37.9	175.8	-62.8	89.1	153.7	0	0	111.7	K172 L176 T177 F348 C355 V357	K172-E174 WeakPolarHBondContact CB-OE2 3.49Å; K172-E174 PolarHBondContact O-N 3.32Å; K172-E174 VanDerWaalsContact O-N 3.16Å; E174-L176 VanDerWaalsContact C-N 3.31Å; E174-L176 PolarHBondContact O-N 3.09Å; E174-T177 WeakPolarHBondContact O-CB 3.41Å; E174-T177 PolarHBondContact O-N 2.71Å; E174-T177 PolarHBondContact O-OG1 3.42Å; E174-F348 HydrophobicContact CB-CE1 4.03Å; E174-F348 HydrophobicContact CB-CE2 3.99Å; E174-F348 HydrophobicContact CB-CZ 3.41Å; E174-F348 VanDerWaalsContact CB-CZ 3.41Å; E174-F348 HydrophobicContact CG-CE2 4.35Å; E174-F348 HydrophobicContact CG-CZ 3.92Å; E174-C355 HydrophobicContact CB-CB 3.96Å; E174-C355 HydrophobicContact CG-CB 4.32Å; E174-V357 HydrophobicContact CG-CG2 4.15Å
175	F	98.4	Very high	97.6	Very high	18 Å²	18	27.3 Å²	27.3	8%	0.079	16%	0.158	C	C	.	.	H	α-helix	trans	-67.8	-32.6	175.9	-64.7	-63.5	0	0	0	112.4	I126 V168 P169 A170 K172 P173 T177 L178 F348	I126-F175 HydrophobicContact CD1-CB 4.04Å; V168-F175 HydrophobicContact CB-CB 4.35Å; V168-F175 HydrophobicContact CB-CD2 4.36Å; V168-F175 HydrophobicContact CB-CG 4.21Å; V168-F175 HydrophobicContact CG1-CB 4.06Å; V168-F175 HydrophobicContact CG1-CG 4.3Å; P169-F175 HydrophobicContact CG-CE1 3.82Å; P169-F175 HydrophobicContact CG-CE2 3.69Å; P169-F175 HydrophobicContact CG-CZ 3.22Å; A170-F175 WeakPolarHBondContact O-CD2 3.48Å; K172-F175 HydrophobicContact CB-CD2 3.8Å; K172-F175 HydrophobicContact CB-CE2 3.96Å; K172-F175 HydrophobicContact CD-CE2 4.32Å; K172-F175 HydrophobicContact CG-CE2 4.42Å; K172-F175 PolarHBondContact O-N 3.1Å; K172-F175 VanDerWaalsContact O-N 3.13Å; P173-F175 VanDerWaalsContact C-N 3.28Å; P173-F175 PolarHBondContact O-N 3.39Å; F175-T177 VanDerWaalsContact C-N 3.28Å; F175-T177 PolarHBondContact O-N 3.09Å; F175-L178 WeakPolarHBondContact O-CB 3.2Å; F175-L178 PolarHBondContact O-N 2.86Å; F175-F348 HydrophobicContact CD1-CD1 4.15Å; F175-F348 HydrophobicContact CD1-CE1 4.16Å; F175-F348 AromaticContact CE1-CD1 3.63Å; F175-F348 HydrophobicContact CE1-CD1 3.63Å; F175-F348 AromaticContact CE1-CE1 3.66Å; F175-F348 HydrophobicContact CE1-CE1 3.66Å; F175-F348 HydrophobicContact CZ-CD1 4.24Å; F175-F348 AromaticContact CZ-CE1 3.86Å; F175-F348 HydrophobicContact CZ-CE1 3.86Å
176	L	98.5	Very high	97.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-38.6	176	-172.6	76	0	0	0	110.9	F96 E124 G125 I126 P173 E174 L178 L179 V391	F96-L176 HydrophobicContact CB-CD2 4.12Å; E124-L176 HydrophobicContact CB-CD1 4.25Å; E124-L176 HydrophobicContact CG-CD1 4.07Å; E124-L176 HydrophobicContact CG-CG 4.36Å; G125-L176 VanDerWaalsContact C-CD1 3.44Å; I126-L176 HydrophobicContact CB-CD1 4.03Å; I126-L176 HydrophobicContact CG2-CB 3.99Å; I126-L176 HydrophobicContact CG2-CD1 3.91Å; I126-L176 HydrophobicContact CG2-CD2 4.37Å; I126-L176 HydrophobicContact CG2-CG 4.33Å; P173-L176 VanDerWaalsContact O-CB 3.22Å; P173-L176 WeakPolarHBondContact O-CB 3.37Å; P173-L176 PolarHBondContact O-N 2.86Å; E174-L176 VanDerWaalsContact C-N 3.31Å; E174-L176 PolarHBondContact O-N 3.09Å; L176-L178 PolarHBondContact O-N 3.34Å; L176-L179 HydrophobicContact CD1-CD1 3.72Å; L176-L179 PolarHBondContact O-N 2.68Å; L176-L179 VanDerWaalsContact O-N 3.11Å; L176-V391 HydrophobicContact CD2-CG1 4.02Å; L176-V391 HydrophobicContact CD2-CG2 4.11Å
177	T	98.8	Very high	97.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.1	-26.3	180	74.4	0	0	0	0	113.5	P173 E174 F175 S181 G182 F213 V357 K389	P173-T177 WeakPolarHBondContact O-CG2 3.35Å; P173-T177 PolarHBondContact O-N 2.91Å; E174-T177 WeakPolarHBondContact O-CB 3.41Å; E174-T177 PolarHBondContact O-N 2.71Å; E174-T177 PolarHBondContact O-OG1 3.42Å; F175-T177 VanDerWaalsContact C-N 3.28Å; F175-T177 PolarHBondContact O-N 3.09Å; T177-S181 WeakPolarHBondContact O-CB 3.23Å; T177-G182 PolarHBondContact O-N 3.11Å; T177-F213 WeakPolarHBondContact O-CE2 3.24Å; T177-F213 WeakPolarHBondContact OG1-CZ 3.16Å; T177-V357 HydrophobicContact CG2-CG2 3.58Å; T177-K389 HydrophobicContact CG2-CB 3.7Å; T177-K389 HydrophobicContact CG2-CG 3.92Å
178	L	98.7	Very high	97.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.129	C	C	.	.	I	π-helix	trans	-76	-27.9	-177.8	-58.2	-177.7	0	0	0	112.9	F175 L176 A183 F213 M341 M344 M345 L353	F175-L178 WeakPolarHBondContact O-CB 3.2Å; F175-L178 PolarHBondContact O-N 2.86Å; L176-L178 PolarHBondContact O-N 3.34Å; L178-A183 PolarHBondContact O-N 3.23Å; L178-F213 HydrophobicContact CD2-CE1 4.01Å; L178-F213 HydrophobicContact CD2-CZ 4.06Å; L178-M341 HydrophobicContact CB-CE 3.81Å; L178-M341 HydrophobicContact CB-SD 4.31Å; L178-M344 HydrophobicContact CB-CE 4.35Å; L178-M344 HydrophobicContact CD1-CB 4.28Å; L178-M344 HydrophobicContact CD2-CB 4.16Å; L178-M344 HydrophobicContact CD2-SD 4.34Å; L178-M344 WeakPolarHBondContact O-CE 3.22Å; L178-M345 HydrophobicContact CD1-CG 4.22Å; L178-L353 HydrophobicContact CD2-CD2 3.89Å
179	L	97.9	Very high	97.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.126	C	C	.	.	I	π-helix	trans	-64.1	-61.7	-169.1	-59.9	177.3	0	0	0	112.2	E124 A147 Y148 V166 L176 A183 Y337 M341	E124-L179 HydrophobicContact CB-CD1 4.23Å; A147-L179 HydrophobicContact CB-CD1 3.8Å; A147-L179 HydrophobicContact CB-CD2 4.01Å; A147-L179 HydrophobicContact CB-CG 4.34Å; Y148-L179 WeakPolarHBondContact O-CD1 3.49Å; V166-L179 HydrophobicContact CB-CD2 4.37Å; V166-L179 HydrophobicContact CG2-CD2 4.2Å; L176-L179 HydrophobicContact CD1-CD1 3.72Å; L176-L179 PolarHBondContact O-N 2.68Å; L176-L179 VanDerWaalsContact O-N 3.11Å; L179-A183 WeakPolarHBondContact O-CB 3.41Å; L179-Y337 WeakPolarHBondContact CA-OH 3.35Å; L179-Y337 VanDerWaalsContact O-CE2 3.29Å; L179-Y337 WeakPolarHBondContact O-CE2 3.22Å; L179-Y337 PolarHBondContact O-OH 3.19Å; L179-M341 HydrophobicContact CD2-CE 3.84Å; L179-M341 HydrophobicContact CD2-SD 4.47Å
180	L	98.3	Very high	98.1	Very high	31 Å²	31	22.1 Å²	22.1	16%	0.162	11%	0.111	C	C	.	.	I	π-helix	trans	-94.2	-51.5	178.1	-160.8	100.9	0	0	0	111.7	N100 E124 F149 T184 L330	N100-L180 HydrophobicContact CB-CD2 4.49Å; N100-L180 WeakPolarHBondContact OD1-CD2 3.26Å; E124-L180 WeakPolarHBondContact OE2-CB 3.33Å; E124-L180 PolarHBondContact OE2-N 3.46Å; F149-L180 HydrophobicContact CD1-CD1 4.13Å; F149-L180 HydrophobicContact CD2-CD1 3.28Å; F149-L180 HydrophobicContact CE1-CD1 3.89Å; F149-L180 HydrophobicContact CE2-CD1 3.04Å; F149-L180 HydrophobicContact CG-CD1 3.87Å; F149-L180 HydrophobicContact CZ-CD1 3.36Å; L180-T184 WeakPolarHBondContact O-CB 3.49Å; L180-T184 PolarHBondContact O-N 3.34Å; L180-T184 PolarHBondContact O-OG1 2.74Å; L180-L330 HydrophobicContact CD1-CD2 4.12Å; L180-L330 HydrophobicContact CG-CD2 4.4Å
181	S	98.9	Very high	98.2	Very high	7 Å²	7	26.2 Å²	26.2	5%	0.049	12%	0.12	C	C	.	.	I	π-helix	trans	-72.3	-51.1	-170.5	-63	0	0	0	0	111.8	T177 A185 G209 T210	T177-S181 WeakPolarHBondContact O-CB 3.23Å; S181-A185 PolarHBondContact O-N 3.01Å; S181-A185 VanDerWaalsContact O-N 3.15Å; S181-G209 WeakPolarHBondContact CB-O 3.35Å; S181-T210 PolarHBondContact O-OG1 3.15Å
182	G	98.8	Very high	98.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.116	C	C	.	.	I	π-helix	trans	-59	-50.4	174.9	0	0	0	0	0	112.4	T177 T184 A185 Y186	T177-G182 PolarHBondContact O-N 3.11Å; G182-T184 PolarHBondContact O-N 2.86Å; G182-A185 PolarHBondContact O-N 3.18Å; G182-Y186 WeakPolarHBondContact O-CB 3.47Å; G182-Y186 PolarHBondContact O-N 3.32Å
183	A	98.7	Very high	98.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.6	-40.8	-177.8	0	0	0	0	0	112.6	L178 L179 Y186 I187 L330 Y337 M344	L178-A183 PolarHBondContact O-N 3.23Å; L179-A183 WeakPolarHBondContact O-CB 3.41Å; A183-Y186 PolarHBondContact O-N 3.21Å; A183-I187 HydrophobicContact CB-CD1 4.45Å; A183-I187 WeakPolarHBondContact O-CB 3.36Å; A183-I187 VanDerWaalsContact O-CG1 3.26Å; A183-I187 WeakPolarHBondContact O-CG1 3.11Å; A183-I187 PolarHBondContact O-N 3.01Å; A183-L330 HydrophobicContact CB-CD1 4.25Å; A183-L330 HydrophobicContact CB-CD2 4.49Å; A183-Y337 HydrophobicContact CB-CD2 3.91Å; A183-Y337 HydrophobicContact CB-CE2 3.61Å; A183-M344 HydrophobicContact CB-CE 4.16Å
184	T	98.9	Very high	98.1	Very high	17 Å²	17	23.2 Å²	23.2	10%	0.104	11%	0.107	C	C	.	.	H	α-helix	trans	-58.7	-50.7	175	-63.7	0	0	0	0	110.7	L180 G182 A188 I294 F328	L180-T184 WeakPolarHBondContact O-CB 3.49Å; L180-T184 PolarHBondContact O-N 3.34Å; L180-T184 PolarHBondContact O-OG1 2.74Å; G182-T184 PolarHBondContact O-N 2.86Å; T184-A188 WeakPolarHBondContact O-CB 3.48Å; T184-A188 PolarHBondContact O-N 3.4Å; T184-I294 HydrophobicContact CG2-CG2 3.93Å; T184-F328 HydrophobicContact CG2-CD1 3.98Å; T184-F328 HydrophobicContact CG2-CE1 3.75Å
185	A	98.9	Very high	98	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.6	-48.4	178.6	0	0	0	0	0	112.4	S181 G182 M189 F213 A214 F217 Y270	S181-A185 PolarHBondContact O-N 3.01Å; S181-A185 VanDerWaalsContact O-N 3.15Å; G182-A185 PolarHBondContact O-N 3.18Å; A185-M189 VanDerWaalsContact O-CB 3.22Å; A185-M189 WeakPolarHBondContact O-CB 3.32Å; A185-M189 WeakPolarHBondContact O-CG 3.38Å; A185-M189 PolarHBondContact O-N 3.27Å; A185-F213 HydrophobicContact CB-CB 3.58Å; A185-A214 HydrophobicContact CB-CB 4.2Å; A185-F217 HydrophobicContact CB-CD2 4.02Å; A185-F217 HydrophobicContact CB-CE2 3.96Å; A185-Y270 HydrophobicContact CB-CE2 4.43Å
186	Y	98.8	Very high	97.9	Very high	33 Å²	33	25.1 Å²	25.1	13%	0.129	12%	0.123	C	C	.	.	H	α-helix	trans	-60	-52.5	-176.4	-175	-84.7	0	0	0	111.3	G182 A183 K190 F217 A340 S343 M344 M347	G182-Y186 WeakPolarHBondContact O-CB 3.47Å; G182-Y186 PolarHBondContact O-N 3.32Å; A183-Y186 PolarHBondContact O-N 3.21Å; Y186-K190 HydrophobicContact CE1-CD 3.82Å; Y186-K190 WeakPolarHBondContact O-CB 3.46Å; Y186-K190 PolarHBondContact O-N 3.2Å; Y186-F217 HydrophobicContact CD2-CD1 4.3Å; Y186-F217 HydrophobicContact CD2-CD2 4.48Å; Y186-F217 AromaticContact CD2-CE1 3.9Å; Y186-F217 HydrophobicContact CD2-CE1 3.9Å; Y186-F217 HydrophobicContact CD2-CE2 4.08Å; Y186-F217 AromaticContact CD2-CZ 3.8Å; Y186-F217 HydrophobicContact CD2-CZ 3.8Å; Y186-F217 HydrophobicContact CG-CE2 4.33Å; Y186-F217 HydrophobicContact CG-CZ 4.4Å; Y186-A340 HydrophobicContact CD1-CB 3.46Å; Y186-A340 VanDerWaalsContact CD1-CB 3.46Å; Y186-A340 HydrophobicContact CE1-CB 3.96Å; Y186-A340 HydrophobicContact CG-CB 4.12Å; Y186-S343 PolarHBondContact OH-OG 3.38Å; Y186-M344 HydrophobicContact CD2-CG 3.97Å; Y186-M344 HydrophobicContact CG-CG 4.39Å; Y186-M344 HydrophobicContact CG-SD 4.45Å; Y186-M347 HydrophobicContact CE2-CE 4.46Å
187	I	98.8	Very high	97.9	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-70.9	-44.1	-174.7	-60.2	169.5	0	0	0	110.1	A183 M189 K190 R191 F328 L330 F333 D336 A340	A183-I187 HydrophobicContact CB-CD1 4.45Å; A183-I187 WeakPolarHBondContact O-CB 3.36Å; A183-I187 VanDerWaalsContact O-CG1 3.26Å; A183-I187 WeakPolarHBondContact O-CG1 3.11Å; A183-I187 PolarHBondContact O-N 3.01Å; I187-M189 PolarHBondContact O-N 2.95Å; I187-K190 PolarHBondContact O-N 3.3Å; I187-R191 HydrophobicContact CG2-CG 3.99Å; I187-R191 VanDerWaalsContact O-CB 3.27Å; I187-R191 WeakPolarHBondContact O-CB 3.42Å; I187-R191 WeakPolarHBondContact O-CG 3.33Å; I187-R191 PolarHBondContact O-N 2.96Å; I187-F328 HydrophobicContact CB-CE2 4.18Å; I187-F328 HydrophobicContact CB-CZ 3.98Å; I187-F328 HydrophobicContact CG2-CE2 3.77Å; I187-F328 HydrophobicContact CG2-CZ 3.98Å; I187-L330 HydrophobicContact CD1-CD1 3.8Å; I187-F333 HydrophobicContact CG2-CB 3.74Å; I187-F333 HydrophobicContact CG2-CD1 4.08Å; I187-F333 HydrophobicContact CG2-CG 4.03Å; I187-D336 HydrophobicContact CD1-CB 4.08Å; I187-D336 HydrophobicContact CG1-CB 4.17Å; I187-D336 HydrophobicContact CG2-CB 4.1Å; I187-A340 HydrophobicContact CD1-CB 4.02Å; I187-A340 HydrophobicContact CG1-CB 3.76Å
188	A	98.8	Very high	97.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.5	-45.6	179.1	0	0	0	0	0	111.7	T184 L192 G193 Y270 I292 I294 F328	T184-A188 WeakPolarHBondContact O-CB 3.48Å; T184-A188 PolarHBondContact O-N 3.4Å; A188-L192 CarbonylContact O-C 3.54Å; A188-L192 WeakPolarHBondContact O-CA 3.33Å; A188-L192 WeakPolarHBondContact O-CB 3.36Å; A188-L192 PolarHBondContact O-N 2.92Å; A188-G193 PolarHBondContact O-N 3.39Å; A188-Y270 HydrophobicContact CB-CE2 4.26Å; A188-I292 HydrophobicContact CB-CG2 4.42Å; A188-I294 HydrophobicContact CB-CD1 3.62Å; A188-F328 HydrophobicContact CB-CB 4.31Å; A188-F328 HydrophobicContact CB-CD1 3.93Å; A188-F328 HydrophobicContact CB-CD2 3.72Å; A188-F328 HydrophobicContact CB-CE1 4.18Å; A188-F328 HydrophobicContact CB-CE2 3.97Å; A188-F328 HydrophobicContact CB-CG 3.69Å; A188-F328 HydrophobicContact CB-CZ 4.19Å
189	M	98.3	Very high	97.9	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.015	19%	0.194	C	C	.	.	I	π-helix	trans	-66.5	-39.6	179.2	-66.8	-62	-91.9	0	0	111.8	A185 I187 G193 D194 L195 V201 A218 Y270 I292	A185-M189 VanDerWaalsContact O-CB 3.22Å; A185-M189 WeakPolarHBondContact O-CB 3.32Å; A185-M189 WeakPolarHBondContact O-CG 3.38Å; A185-M189 PolarHBondContact O-N 3.27Å; I187-M189 PolarHBondContact O-N 2.95Å; M189-G193 WeakPolarHBondContact O-CA 3.27Å; M189-G193 PolarHBondContact O-N 3.16Å; M189-G193 VanDerWaalsContact O-N 3.16Å; M189-D194 PolarHBondContact O-N 3.41Å; M189-L195 HydrophobicContact CB-CD1 4.28Å; M189-L195 HydrophobicContact CE-CD1 3.87Å; M189-L195 HydrophobicContact CE-CD2 3.9Å; M189-L195 HydrophobicContact CE-CG 4.44Å; M189-V201 HydrophobicContact CE-CG1 3.77Å; M189-A218 HydrophobicContact CE-CB 3.79Å; M189-Y270 HydrophobicContact CG-CD2 4.16Å; M189-Y270 HydrophobicContact CG-CE2 4.39Å; M189-Y270 HydrophobicContact SD-CD2 3.68Å; M189-Y270 HydrophobicContact SD-CE2 4.46Å; M189-Y270 HydrophobicContact SD-CG 4.49Å; M189-I292 HydrophobicContact SD-CD1 4.28Å
190	K	97.1	Very high	97.9	Very high	90 Å²	90	38.7 Å²	38.7	39%	0.391	20%	0.2	S	C	.	.	I	π-helix	trans	-69.8	-43.4	178.2	-175.4	178.3	-179	-178.3	0	113.3	Y186 I187 E339	Y186-K190 HydrophobicContact CE1-CD 3.82Å; Y186-K190 WeakPolarHBondContact O-CB 3.46Å; Y186-K190 PolarHBondContact O-N 3.2Å; I187-K190 PolarHBondContact O-N 3.3Å; K190-E339 IonicContact NZ-OE1 3.81Å; K190-E339 PolarHBondContact NZ-OE1 3.41Å; K190-E339 IonicContact NZ-OE2 2.76Å; K190-E339 PolarHBondContact NZ-OE2 2.93Å
191	R	97.4	Very high	98	Very high	117 Å²	117	37.2 Å²	37.2	44%	0.442	19%	0.193	S	C	.	.	I	π-helix	trans	-89.8	-34.4	-172.4	-69.6	-63.9	-166.6	-172.6	-1.3	114	I187 F333 D336	I187-R191 HydrophobicContact CG2-CG 3.99Å; I187-R191 VanDerWaalsContact O-CB 3.27Å; I187-R191 WeakPolarHBondContact O-CB 3.42Å; I187-R191 WeakPolarHBondContact O-CG 3.33Å; I187-R191 PolarHBondContact O-N 2.96Å; R191-F333 HydrophobicContact CB-CE1 4.23Å; R191-F333 HydrophobicContact CG-CD1 4.25Å; R191-F333 HydrophobicContact CG-CE1 4.28Å; R191-D336 IonicContact CZ-OD1 2.79Å; R191-D336 IonicContact CZ-OD2 3.99Å; R191-D336 IonicContact NE-OD1 3.94Å; R191-D336 IonicContact NE-OD2 2.69Å; R191-D336 PolarHBondContact NE-OD2 3.4Å; R191-D336 IonicContact NH2-OD1 3.7Å; R191-D336 PolarHBondContact NH2-OD1 3.18Å; R191-D336 IonicContact NH2-OD2 2.83Å; R191-D336 PolarHBondContact NH2-OD2 3.05Å
192	L	98.3	Very high	98	Very high	29 Å²	29	36.9 Å²	36.9	15%	0.152	19%	0.19	C	C	.	.	I	π-helix	trans	-121.3	-19.1	-170.9	-54.4	-180	0	0	0	112.4	A188 I292 R326 F328	A188-L192 CarbonylContact O-C 3.54Å; A188-L192 WeakPolarHBondContact O-CA 3.33Å; A188-L192 WeakPolarHBondContact O-CB 3.36Å; A188-L192 PolarHBondContact O-N 2.92Å; L192-I292 HydrophobicContact CB-CD1 4.05Å; L192-I292 HydrophobicContact CB-CG1 4.19Å; L192-I292 HydrophobicContact CB-CG2 4.38Å; L192-I292 HydrophobicContact CD1-CG2 4.1Å; L192-R326 HydrophobicContact CD1-CB 4.4Å; L192-R326 WeakPolarHBondContact O-CD 3.25Å; L192-R326 PolarHBondContact O-NH1 2.92Å; L192-F328 HydrophobicContact CD1-CB 3.85Å; L192-F328 HydrophobicContact CD1-CD2 3.76Å; L192-F328 HydrophobicContact CD1-CG 4.28Å
193	G	96.3	Very high	98	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	I	π-helix	trans	-75.7	-34.6	171.8	0	0	0	0	0	112.2	A188 M189 L195 R290	A188-G193 PolarHBondContact O-N 3.39Å; M189-G193 WeakPolarHBondContact O-CA 3.27Å; M189-G193 PolarHBondContact O-N 3.16Å; M189-G193 VanDerWaalsContact O-N 3.16Å; G193-L195 PolarHBondContact O-N 3.44Å; G193-R290 PolarHBondContact O-NE 3.13Å; G193-R290 PolarHBondContact O-NH1 3.24Å
194	D	93.6	Very high	98	Very high	77 Å²	77	36.9 Å²	36.9	41%	0.412	19%	0.19	S	C	.	.			trans	43	46.8	-175.3	-58.8	-45.1	0	0	0	111.2	M189 V196 R290 R326	M189-D194 PolarHBondContact O-N 3.41Å; D194-V196 PolarHBondContact O-N 2.63Å; D194-R290 VanDerWaalsContact CB-NH1 3.33Å; D194-R290 PolarHBondContact O-NH1 2.92Å; D194-R326 IonicContact OD2-CZ 2.68Å; D194-R326 IonicContact OD2-NH1 2.92Å; D194-R326 PolarHBondContact OD2-NH1 3.34Å; D194-R326 IonicContact OD2-NH2 3.37Å
195	L	96.8	Very high	98	Very high	40 Å²	40	37.9 Å²	37.9	21%	0.209	20%	0.2	C	C	.	.			trans	-61.1	134.4	-166.2	-56.6	-177.7	0	0	0	111.9	M189 G193 V201 A218 A221 V268	M189-L195 HydrophobicContact CB-CD1 4.28Å; M189-L195 HydrophobicContact CE-CD1 3.87Å; M189-L195 HydrophobicContact CE-CD2 3.9Å; M189-L195 HydrophobicContact CE-CG 4.44Å; G193-L195 PolarHBondContact O-N 3.44Å; L195-V201 HydrophobicContact CD2-CG2 4.16Å; L195-A218 HydrophobicContact CD1-CB 4.33Å; L195-A221 HydrophobicContact CB-CB 3.89Å; L195-A221 HydrophobicContact CD1-CB 3.73Å; L195-V268 HydrophobicContact CD2-CB 4.31Å; L195-V268 HydrophobicContact CD2-CG1 4.16Å; L195-V268 HydrophobicContact CD2-CG2 3.9Å
196	V	96.5	Very high	98	Very high	82 Å²	82	37.9 Å²	37.9	50%	0.497	20%	0.2	S	C	.	.			trans	-116.8	140.5	173.1	-175	0	0	0	0	109.6	D194 G198 E199 C223	D194-V196 PolarHBondContact O-N 2.63Å; V196-G198 PolarHBondContact O-N 3.29Å; V196-E199 HydrophobicContact CB-CG 3.93Å; V196-E199 PolarHBondContact N-OE2 3.41Å; V196-E199 VanDerWaalsContact O-CB 3.26Å; V196-E199 WeakPolarHBondContact O-CB 3.37Å; V196-E199 WeakPolarHBondContact O-CG 3.44Å; V196-E199 PolarHBondContact O-N 3.28Å; V196-E199 VanDerWaalsContact O-N 3.11Å; V196-C223 PolarHBondContact O-SG 2.86Å; V196-C223 VanDerWaalsContact O-SG 3.35Å
197	K	98.4	Very high	98	Very high	173 Å²	173	36.4 Å²	36.4	75%	0.752	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	134	175.1	179.8	179.3	178.6	-177.8	0	110.5	E199 A221	K197-E199 VanDerWaalsContact C-N 3.32Å; K197-A221 WeakPolarHBondContact CA-O 3.48Å
198	G	97.9	Very high	98	Very high	58 Å²	58	37 Å²	37	60%	0.598	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.1	-9	-179.6	0	0	0	0	0	115	V196 G222	V196-G198 PolarHBondContact O-N 3.29Å; G198-G222 PolarHBondContact N-O 2.83Å
199	E	98.6	Very high	98	Very high	31 Å²	31	37.6 Å²	37.6	15%	0.145	21%	0.207	C	C	.	.			trans	-66	150.7	173.6	-74.2	-176.1	150.7	0	0	112.1	V196 K197 C223 H224 D267 R290	V196-E199 HydrophobicContact CB-CG 3.93Å; V196-E199 PolarHBondContact N-OE2 3.41Å; V196-E199 VanDerWaalsContact O-CB 3.26Å; V196-E199 WeakPolarHBondContact O-CB 3.37Å; V196-E199 WeakPolarHBondContact O-CG 3.44Å; V196-E199 PolarHBondContact O-N 3.28Å; V196-E199 VanDerWaalsContact O-N 3.11Å; K197-E199 VanDerWaalsContact C-N 3.32Å; E199-C223 CarbonylContact O-C 3.58Å; E199-C223 WeakPolarHBondContact O-CA 3.26Å; E199-C223 VanDerWaalsContact O-CB 3.27Å; E199-C223 WeakPolarHBondContact O-CB 3.35Å; E199-H224 PolarHBondContact O-N 3Å; E199-D267 WeakPolarHBondContact CA-OD2 3.37Å; E199-D267 HydrophobicContact CB-CB 3.79Å; E199-D267 HydrophobicContact CG-CB 3.88Å; E199-R290 IonicContact OE1-CZ 2.95Å; E199-R290 IonicContact OE1-NH1 3.63Å; E199-R290 IonicContact OE1-NH2 3.39Å; E199-R290 PolarHBondContact OE1-NH2 3.06Å; E199-R290 IonicContact OE2-CZ 3.57Å; E199-R290 IonicContact OE2-NH2 2.78Å; E199-R290 PolarHBondContact OE2-NH2 3.24Å
200	T	98.9	Very high	98	Very high	23 Å²	23	38.9 Å²	38.9	14%	0.141	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	117.1	173.1	-59.4	0	0	0	0	110.3	H224 V226 Y262 L266 D267 V268	T200-H224 CarbonylContact C-O 3.35Å; T200-H224 WeakPolarHBondContact CA-O 3.27Å; T200-V226 HydrophobicContact CG2-CG2 4.12Å; T200-Y262 HydrophobicContact CG2-CD1 3.67Å; T200-Y262 HydrophobicContact CG2-CE1 3.92Å; T200-L266 HydrophobicContact CG2-CD2 3.65Å; T200-D267 PolarHBondContact N-OD2 2.83Å; T200-D267 PolarHBondContact O-N 2.98Å; T200-V268 PolarHBondContact O-N 3.48Å
201	V	98.9	Very high	98.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.7	-179.3	-177.7	0	0	0	0	109.6	M189 L195 V203 A218 C223 H224 V225 V226 V268	M189-V201 HydrophobicContact CE-CG1 3.77Å; L195-V201 HydrophobicContact CD2-CG2 4.16Å; V201-V203 HydrophobicContact CG1-CG2 4.16Å; V201-A218 HydrophobicContact CB-CB 4.12Å; V201-A218 HydrophobicContact CG1-CB 3.99Å; V201-A218 HydrophobicContact CG2-CB 4.07Å; V201-C223 HydrophobicContact CG2-CB 3.63Å; V201-H224 PolarHBondContact N-O 2.92Å; V201-V225 HydrophobicContact CB-CG2 4.4Å; V201-V225 WeakPolarHBondContact O-CA 3.43Å; V201-V226 PolarHBondContact O-N 2.96Å; V201-V268 CarbonylContact C-O 3.56Å; V201-V268 WeakPolarHBondContact CA-O 3.39Å; V201-V268 HydrophobicContact CG1-CB 4.3Å; V201-V268 HydrophobicContact CG1-CG1 4.46Å; V201-V268 HydrophobicContact CG2-CB 4.13Å
202	L	98.9	Very high	98.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	125.9	168	176.9	67.9	0	0	0	110.1	T204 V226 T228 L258 L266 V268 V269 Y270 M280	L202-T204 HydrophobicContact CD2-CG2 4.44Å; L202-T204 HydrophobicContact CG-CG2 4.48Å; L202-V226 CarbonylContact C-O 3.58Å; L202-V226 WeakPolarHBondContact CA-O 3.36Å; L202-V226 HydrophobicContact CD1-CB 3.91Å; L202-V226 HydrophobicContact CD1-CG1 3.77Å; L202-T228 HydrophobicContact CD1-CG2 3.79Å; L202-L258 HydrophobicContact CD2-CD1 4.4Å; L202-L266 HydrophobicContact CB-CD1 3.79Å; L202-L266 HydrophobicContact CB-CD2 3.98Å; L202-L266 HydrophobicContact CB-CG 4.38Å; L202-L266 HydrophobicContact CD2-CD1 3.57Å; L202-L266 HydrophobicContact CG-CD1 4.27Å; L202-V268 PolarHBondContact N-O 3.16Å; L202-V269 HydrophobicContact CB-CG1 4.22Å; L202-V269 HydrophobicContact CB-CG2 4.2Å; L202-V269 HydrophobicContact CD2-CG1 3.99Å; L202-V269 HydrophobicContact CD2-CG2 4.48Å; L202-V269 HydrophobicContact CG-CG1 4.25Å; L202-V269 CarbonylContact O-C 3.57Å; L202-V269 WeakPolarHBondContact O-CA 3.38Å; L202-Y270 PolarHBondContact O-N 3.04Å; L202-M280 HydrophobicContact CD2-CE 4.23Å
203	V	98.9	Very high	98.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123	169.6	-173.8	0	0	0	0	108.9	V201 A206 A214 V215 V225 V226 G227 T228 Y270	V201-V203 HydrophobicContact CG1-CG2 4.16Å; V203-A206 HydrophobicContact CB-CB 4Å; V203-A206 HydrophobicContact CG1-CB 3.87Å; V203-A214 HydrophobicContact CG1-CB 3.89Å; V203-A214 HydrophobicContact CG2-CB 4.13Å; V203-V215 HydrophobicContact CB-CG2 3.99Å; V203-V215 HydrophobicContact CG1-CG2 4.13Å; V203-V215 HydrophobicContact CG2-CG2 3.99Å; V203-V225 HydrophobicContact CG2-CG1 4.18Å; V203-V226 PolarHBondContact N-O 3.46Å; V203-G227 WeakPolarHBondContact O-CA 3.19Å; V203-T228 PolarHBondContact O-N 3.39Å; V203-Y270 HydrophobicContact CG1-CD1 4.04Å; V203-Y270 HydrophobicContact CG1-CG 4.47Å
204	T	98.9	Very high	98.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	153.1	172.2	64.1	0	0	0	0	110.7	L202 A206 T228 Y270 E271 S272 I277	L202-T204 HydrophobicContact CD2-CG2 4.44Å; L202-T204 HydrophobicContact CG-CG2 4.48Å; T204-A206 PolarHBondContact O-N 3.34Å; T204-T228 WeakPolarHBondContact CA-OG1 3.37Å; T204-Y270 PolarHBondContact N-O 3.27Å; T204-Y270 PolarHBondContact OG1-O 3.18Å; T204-E271 HydrophobicContact CG2-CG 4.48Å; T204-E271 WeakPolarHBondContact OG1-CA 3.43Å; T204-S272 PolarHBondContact OG1-N 3.08Å; T204-I277 HydrophobicContact CG2-CG2 3.81Å
205	A	98.6	Very high	98.6	Very high	38 Å²	38	24 Å²	24	31%	0.314	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	38.2	-169.8	0	0	0	0	0	111.9	A207 G208 I273	A205-A207 VanDerWaalsContact C-N 3.26Å; A205-A207 PolarHBondContact O-N 3.46Å; A205-G208 PolarHBondContact O-N 2.98Å; A205-I273 HydrophobicContact CB-CD1 3.89Å
206	A	98.9	Very high	98.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-28.9	-163.4	0	0	0	0	0	113.3	V203 T204 G208 G211 Q212 V215 T228 L238	V203-A206 HydrophobicContact CB-CB 4Å; V203-A206 HydrophobicContact CG1-CB 3.87Å; T204-A206 PolarHBondContact O-N 3.34Å; A206-G208 VanDerWaalsContact C-N 3.29Å; A206-G211 CarbonylContact O-C 3.4Å; A206-Q212 WeakPolarHBondContact O-CA 3.29Å; A206-Q212 PolarHBondContact O-N 3.37Å; A206-V215 HydrophobicContact CB-CG2 3.89Å; A206-T228 PolarHBondContact N-O 3.39Å; A206-L238 HydrophobicContact CB-CD1 3.95Å; A206-L238 HydrophobicContact CB-CD2 3.69Å; A206-L238 HydrophobicContact CB-CG 4.48Å
207	A	98.8	Very high	98.8	Very high	2 Å²	2	19.5 Å²	19.5	2%	0.017	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	5	176.8	0	0	0	0	0	113.2	A205 C229 K234 F237 L238 G388	A205-A207 VanDerWaalsContact C-N 3.26Å; A205-A207 PolarHBondContact O-N 3.46Å; A207-C229 HydrophobicContact CB-CB 4.17Å; A207-K234 HydrophobicContact CB-CB 3.68Å; A207-K234 HydrophobicContact CB-CD 4.23Å; A207-K234 HydrophobicContact CB-CG 3.85Å; A207-F237 HydrophobicContact CB-CD1 4.06Å; A207-L238 HydrophobicContact CB-CD2 4.24Å; A207-L238 HydrophobicContact CB-CG 4.17Å; A207-G388 PolarHBondContact O-N 3.26Å
208	G	98.7	Very high	98.8	Very high	13 Å²	13	11.2 Å²	11.2	13%	0.134	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-91.2	-176.6	179.4	0	0	0	0	0	113.4	A205 A206 T210 G211 Q212 G388	A205-G208 PolarHBondContact O-N 2.98Å; A206-G208 VanDerWaalsContact C-N 3.29Å; G208-T210 PolarHBondContact O-N 2.95Å; G208-G211 PolarHBondContact O-N 2.8Å; G208-Q212 WeakPolarHBondContact O-CG 3.43Å; G208-Q212 PolarHBondContact O-N 3.37Å; G208-G388 CarbonylContact C-O 3.52Å
209	G	98.8	Very high	98.8	Very high	13 Å²	13	11.2 Å²	11.2	13%	0.134	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-50.7	-171.9	0	0	0	0	0	115.5	S181 Q212 F213 G388	S181-G209 WeakPolarHBondContact CB-O 3.35Å; G209-Q212 VanDerWaalsContact O-CG 3.31Å; G209-Q212 WeakPolarHBondContact O-CG 3.22Å; G209-Q212 PolarHBondContact O-NE2 3.15Å; G209-F213 VanDerWaalsContact O-CD2 3.23Å; G209-F213 WeakPolarHBondContact O-CD2 3.44Å; G209-F213 WeakPolarHBondContact O-CE2 3.43Å; G209-G388 PolarHBondContact N-O 3.18Å; G209-G388 VanDerWaalsContact N-O 3.12Å
210	T	98.9	Very high	98.8	Very high	30 Å²	30	14 Å²	14	18%	0.184	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-31.1	177.6	-166.3	0	0	0	0	112.8	S181 G208 Q212 F213 A214 Y270	S181-T210 PolarHBondContact O-OG1 3.15Å; G208-T210 PolarHBondContact O-N 2.95Å; T210-Q212 VanDerWaalsContact C-N 3.32Å; T210-Q212 PolarHBondContact O-N 3.26Å; T210-F213 PolarHBondContact O-N 2.73Å; T210-A214 PolarHBondContact O-N 3.4Å; T210-Y270 HydrophobicContact CG2-CE1 4.02Å; T210-Y270 PolarHBondContact OG1-OH 2.94Å
211	G	98.9	Very high	98.8	Very high	2 Å²	2	14.6 Å²	14.6	2%	0.021	9%	0.09	C	C	.	.	H	α-helix	trans	-61.6	-38.6	-178.9	0	0	0	0	0	112.7	A206 G208 F213 A214 V215	A206-G211 CarbonylContact O-C 3.4Å; G208-G211 PolarHBondContact O-N 2.8Å; G211-F213 PolarHBondContact O-N 2.72Å; G211-A214 PolarHBondContact O-N 2.97Å; G211-A214 VanDerWaalsContact O-N 3.15Å; G211-V215 WeakPolarHBondContact O-CG2 2.97Å; G211-V215 PolarHBondContact O-N 3.12Å
212	Q	98.9	Very high	98.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.6	-32.9	179.4	65.2	173.9	-45.3	0	0	112.3	A206 G208 G209 T210 Q216 F237 I241 E356	A206-Q212 WeakPolarHBondContact O-CA 3.29Å; A206-Q212 PolarHBondContact O-N 3.37Å; G208-Q212 WeakPolarHBondContact O-CG 3.43Å; G208-Q212 PolarHBondContact O-N 3.37Å; G209-Q212 VanDerWaalsContact O-CG 3.31Å; G209-Q212 WeakPolarHBondContact O-CG 3.22Å; G209-Q212 PolarHBondContact O-NE2 3.15Å; T210-Q212 VanDerWaalsContact C-N 3.32Å; T210-Q212 PolarHBondContact O-N 3.26Å; Q212-Q216 VanDerWaalsContact O-CG 3.29Å; Q212-Q216 WeakPolarHBondContact O-CG 3.29Å; Q212-Q216 PolarHBondContact O-N 2.88Å; Q212-Q216 PolarHBondContact O-NE2 2.97Å; Q212-F237 HydrophobicContact CB-CE1 3.98Å; Q212-F237 HydrophobicContact CB-CZ 4.05Å; Q212-I241 HydrophobicContact CB-CD1 4.22Å; Q212-E356 PolarHBondContact NE2-O 3.02Å
213	F	98.9	Very high	98.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-79.5	-40.6	178.6	-65.5	-60.8	0	0	0	111	T177 L178 A185 G209 T210 G211 V215 Q216 F217 L353 V354 C355	T177-F213 WeakPolarHBondContact O-CE2 3.24Å; T177-F213 WeakPolarHBondContact OG1-CZ 3.16Å; L178-F213 HydrophobicContact CD2-CE1 4.01Å; L178-F213 HydrophobicContact CD2-CZ 4.06Å; A185-F213 HydrophobicContact CB-CB 3.58Å; G209-F213 VanDerWaalsContact O-CD2 3.23Å; G209-F213 WeakPolarHBondContact O-CD2 3.44Å; G209-F213 WeakPolarHBondContact O-CE2 3.43Å; T210-F213 PolarHBondContact O-N 2.73Å; G211-F213 PolarHBondContact O-N 2.72Å; F213-V215 VanDerWaalsContact C-N 3.27Å; F213-V215 PolarHBondContact O-N 3.08Å; F213-Q216 PolarHBondContact O-N 2.76Å; F213-Q216 VanDerWaalsContact O-N 3.14Å; F213-F217 HydrophobicContact CB-CD2 4.2Å; F213-F217 HydrophobicContact CB-CE2 3.7Å; F213-F217 HydrophobicContact CB-CZ 4.25Å; F213-F217 WeakPolarHBondContact O-CD2 3.48Å; F213-F217 VanDerWaalsContact O-CG 3.29Å; F213-F217 WeakPolarHBondContact O-CG 3.48Å; F213-F217 PolarHBondContact O-N 3.32Å; F213-L353 HydrophobicContact CD1-CD1 4.01Å; F213-L353 HydrophobicContact CD1-CD2 4.18Å; F213-L353 HydrophobicContact CD1-CG 4.15Å; F213-L353 HydrophobicContact CE1-CD1 4.44Å; F213-L353 HydrophobicContact CE1-CD2 4.06Å; F213-L353 HydrophobicContact CE1-CG 4.09Å; F213-V354 WeakPolarHBondContact CE1-O 3.27Å; F213-C355 HydrophobicContact CE1-CB 4.47Å; F213-C355 HydrophobicContact CZ-CB 4.35Å
214	A	98.9	Very high	98.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.3	-39.6	176.3	0	0	0	0	0	111.9	A185 V203 T210 G211 A218 Y270	A185-A214 HydrophobicContact CB-CB 4.2Å; V203-A214 HydrophobicContact CG1-CB 3.89Å; V203-A214 HydrophobicContact CG2-CB 4.13Å; T210-A214 PolarHBondContact O-N 3.4Å; G211-A214 PolarHBondContact O-N 2.97Å; G211-A214 VanDerWaalsContact O-N 3.15Å; A214-A218 WeakPolarHBondContact O-CB 3.14Å; A214-A218 PolarHBondContact O-N 3Å; A214-A218 VanDerWaalsContact O-N 3.07Å; A214-Y270 HydrophobicContact CB-CD1 3.87Å; A214-Y270 HydrophobicContact CB-CD2 3.78Å; A214-Y270 HydrophobicContact CB-CE1 4Å; A214-Y270 HydrophobicContact CB-CE2 3.89Å; A214-Y270 HydrophobicContact CB-CG 3.75Å
215	V	98.9	Very high	98.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.5	-54.1	172.2	169.7	0	0	0	0	110.5	V203 A206 G211 F213 F217 A218 K219 V225 L238 I241 C243	V203-V215 HydrophobicContact CB-CG2 3.99Å; V203-V215 HydrophobicContact CG1-CG2 4.13Å; V203-V215 HydrophobicContact CG2-CG2 3.99Å; A206-V215 HydrophobicContact CB-CG2 3.89Å; G211-V215 WeakPolarHBondContact O-CG2 2.97Å; G211-V215 PolarHBondContact O-N 3.12Å; F213-V215 VanDerWaalsContact C-N 3.27Å; F213-V215 PolarHBondContact O-N 3.08Å; V215-F217 PolarHBondContact O-N 2.97Å; V215-A218 PolarHBondContact O-N 2.78Å; V215-K219 WeakPolarHBondContact O-CG 3.47Å; V215-K219 PolarHBondContact O-N 2.89Å; V215-V225 HydrophobicContact CB-CG1 4.3Å; V215-V225 HydrophobicContact CG1-CG1 4.05Å; V215-V225 HydrophobicContact CG2-CG1 4.08Å; V215-L238 HydrophobicContact CG2-CD2 4.16Å; V215-I241 HydrophobicContact CB-CD1 3.96Å; V215-I241 HydrophobicContact CG1-CD1 3.75Å; V215-I241 HydrophobicContact CG1-CG1 3.91Å; V215-C243 HydrophobicContact CG1-CB 3.95Å
216	Q	98.9	Very high	98.8	Very high	11 Å²	11	17.3 Å²	17.3	5%	0.051	11%	0.105	C	C	.	.	H	α-helix	trans	-63.8	-42.6	-176	-70.5	176.6	84	0	0	112.7	Q212 F213 K219 Q220 I241 L353 V354	Q212-Q216 VanDerWaalsContact O-CG 3.29Å; Q212-Q216 WeakPolarHBondContact O-CG 3.29Å; Q212-Q216 PolarHBondContact O-N 2.88Å; Q212-Q216 PolarHBondContact O-NE2 2.97Å; F213-Q216 PolarHBondContact O-N 2.76Å; F213-Q216 VanDerWaalsContact O-N 3.14Å; Q216-K219 PolarHBondContact O-N 2.91Å; Q216-Q220 WeakPolarHBondContact O-CB 3.11Å; Q216-Q220 VanDerWaalsContact O-CG 3.27Å; Q216-Q220 WeakPolarHBondContact O-CG 3.39Å; Q216-Q220 PolarHBondContact O-N 3.16Å; Q216-I241 HydrophobicContact CG-CB 3.92Å; Q216-I241 HydrophobicContact CG-CD1 4.36Å; Q216-L353 HydrophobicContact CB-CD1 4.13Å; Q216-V354 PolarHBondContact NE2-O 3.28Å
217	F	98.8	Very high	98.8	Very high	15 Å²	15	17.3 Å²	17.3	7%	0.066	11%	0.105	C	C	.	.	H	α-helix	trans	-66.7	-37.4	178	-61.6	-38.3	0	0	0	112.1	A185 Y186 F213 V215 Q220 A221 M344 M347 L353	A185-F217 HydrophobicContact CB-CD2 4.02Å; A185-F217 HydrophobicContact CB-CE2 3.96Å; Y186-F217 HydrophobicContact CD2-CD1 4.3Å; Y186-F217 HydrophobicContact CD2-CD2 4.48Å; Y186-F217 AromaticContact CD2-CE1 3.9Å; Y186-F217 HydrophobicContact CD2-CE1 3.9Å; Y186-F217 HydrophobicContact CD2-CE2 4.08Å; Y186-F217 AromaticContact CD2-CZ 3.8Å; Y186-F217 HydrophobicContact CD2-CZ 3.8Å; Y186-F217 HydrophobicContact CG-CE2 4.33Å; Y186-F217 HydrophobicContact CG-CZ 4.4Å; F213-F217 HydrophobicContact CB-CD2 4.2Å; F213-F217 HydrophobicContact CB-CE2 3.7Å; F213-F217 HydrophobicContact CB-CZ 4.25Å; F213-F217 WeakPolarHBondContact O-CD2 3.48Å; F213-F217 VanDerWaalsContact O-CG 3.29Å; F213-F217 WeakPolarHBondContact O-CG 3.48Å; F213-F217 PolarHBondContact O-N 3.32Å; V215-F217 PolarHBondContact O-N 2.97Å; F217-Q220 PolarHBondContact O-N 3.27Å; F217-A221 WeakPolarHBondContact O-CB 3.47Å; F217-A221 PolarHBondContact O-N 3.21Å; F217-M344 HydrophobicContact CE1-CG 4.45Å; F217-M344 HydrophobicContact CE2-SD 4.37Å; F217-M344 HydrophobicContact CZ-CG 3.9Å; F217-M344 HydrophobicContact CZ-SD 3.83Å; F217-M347 HydrophobicContact CE1-SD 4.17Å; F217-L353 HydrophobicContact CD1-CD1 4.36Å; F217-L353 HydrophobicContact CE1-CD1 3.62Å; F217-L353 HydrophobicContact CE1-CD2 4.35Å; F217-L353 HydrophobicContact CZ-CD1 4.08Å; F217-L353 HydrophobicContact CZ-CD2 4.33Å
218	A	98.9	Very high	98.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.8	-41.1	172.2	0	0	0	0	0	112.2	M189 L195 V201 A214 V215 A221 G222 C223 V225	M189-A218 HydrophobicContact CE-CB 3.79Å; L195-A218 HydrophobicContact CD1-CB 4.33Å; V201-A218 HydrophobicContact CB-CB 4.12Å; V201-A218 HydrophobicContact CG1-CB 3.99Å; V201-A218 HydrophobicContact CG2-CB 4.07Å; A214-A218 WeakPolarHBondContact O-CB 3.14Å; A214-A218 PolarHBondContact O-N 3Å; A214-A218 VanDerWaalsContact O-N 3.07Å; V215-A218 PolarHBondContact O-N 2.78Å; A218-A221 PolarHBondContact O-N 3.49Å; A218-G222 PolarHBondContact O-N 3.16Å; A218-C223 HydrophobicContact CB-CB 4.33Å; A218-C223 VanDerWaalsContact O-CB 3.27Å; A218-C223 WeakPolarHBondContact O-CB 3.46Å; A218-C223 PolarHBondContact O-N 3.48Å; A218-V225 HydrophobicContact CB-CG2 3.45Å; A218-V225 VanDerWaalsContact CB-CG2 3.45Å
219	K	98.8	Very high	98.8	Very high	57 Å²	57	17 Å²	17	25%	0.248	10%	0.1	C	C	.	.	H	α-helix	trans	-63.2	-42.4	173.9	-70.3	-51.3	-58.6	174.7	0	112.8	V215 Q216 A221 G222 C223 V225 G242 D244	V215-K219 WeakPolarHBondContact O-CG 3.47Å; V215-K219 PolarHBondContact O-N 2.89Å; Q216-K219 PolarHBondContact O-N 2.91Å; K219-A221 VanDerWaalsContact C-N 3.25Å; K219-A221 PolarHBondContact O-N 2.76Å; K219-G222 WeakPolarHBondContact O-CA 3.35Å; K219-G222 PolarHBondContact O-N 2.94Å; K219-C223 PolarHBondContact NZ-O 3.12Å; K219-V225 HydrophobicContact CD-CB 3.81Å; K219-V225 HydrophobicContact CD-CG2 3.44Å; K219-V225 VanDerWaalsContact CD-CG2 3.44Å; K219-V225 HydrophobicContact CG-CB 4.37Å; K219-V225 HydrophobicContact CG-CG2 3.89Å; K219-G242 WeakPolarHBondContact CD-O 3.47Å; K219-G242 WeakPolarHBondContact CE-O 3.31Å; K219-G242 WeakPolarHBondContact CG-O 3.43Å; K219-D244 WeakPolarHBondContact CD-OD2 3.49Å; K219-D244 WeakPolarHBondContact CE-OD2 3.29Å; K219-D244 IonicContact NZ-OD1 2.6Å; K219-D244 PolarHBondContact NZ-OD1 2.9Å; K219-D244 IonicContact NZ-OD2 2.82Å; K219-D244 PolarHBondContact NZ-OD2 2.9Å
220	Q	98.4	Very high	98.8	Very high	89 Å²	89	17.7 Å²	17.7	42%	0.416	10%	0.103	S	C	.	.	H	α-helix	trans	-64.4	-30	176.1	-71.8	173.9	8.9	0	0	112.5	Q216 F217 G222 K352	Q216-Q220 WeakPolarHBondContact O-CB 3.11Å; Q216-Q220 VanDerWaalsContact O-CG 3.27Å; Q216-Q220 WeakPolarHBondContact O-CG 3.39Å; Q216-Q220 PolarHBondContact O-N 3.16Å; F217-Q220 PolarHBondContact O-N 3.27Å; Q220-G222 PolarHBondContact O-N 3.35Å; Q220-K352 PolarHBondContact NE2-O 2.62Å
221	A	98.4	Very high	98.7	Very high	37 Å²	37	17.8 Å²	17.8	31%	0.306	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-3.6	171.1	0	0	0	0	0	113.6	L195 K197 F217 A218 K219	L195-A221 HydrophobicContact CB-CB 3.89Å; L195-A221 HydrophobicContact CD1-CB 3.73Å; K197-A221 WeakPolarHBondContact CA-O 3.48Å; F217-A221 WeakPolarHBondContact O-CB 3.47Å; F217-A221 PolarHBondContact O-N 3.21Å; A218-A221 PolarHBondContact O-N 3.49Å; K219-A221 VanDerWaalsContact C-N 3.25Å; K219-A221 PolarHBondContact O-N 2.76Å
222	G	98.6	Very high	98.7	Very high	31 Å²	31	23.1 Å²	23.1	32%	0.32	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	23.3	-179.6	0	0	0	0	0	113.8	G198 A218 K219 Q220	G198-G222 PolarHBondContact N-O 2.83Å; A218-G222 PolarHBondContact O-N 3.16Å; K219-G222 WeakPolarHBondContact O-CA 3.35Å; K219-G222 PolarHBondContact O-N 2.94Å; Q220-G222 PolarHBondContact O-N 3.35Å
223	C	98.9	Very high	98.6	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.02	16%	0.163	C	C	.	.			trans	-80.7	160.7	175	-57	0	0	0	0	112.1	V196 E199 V201 A218 K219 V225	V196-C223 PolarHBondContact O-SG 2.86Å; V196-C223 VanDerWaalsContact O-SG 3.35Å; E199-C223 CarbonylContact O-C 3.58Å; E199-C223 WeakPolarHBondContact O-CA 3.26Å; E199-C223 VanDerWaalsContact O-CB 3.27Å; E199-C223 WeakPolarHBondContact O-CB 3.35Å; V201-C223 HydrophobicContact CG2-CB 3.63Å; A218-C223 HydrophobicContact CB-CB 4.33Å; A218-C223 VanDerWaalsContact O-CB 3.27Å; A218-C223 WeakPolarHBondContact O-CB 3.46Å; A218-C223 PolarHBondContact O-N 3.48Å; K219-C223 PolarHBondContact NZ-O 3.12Å; C223-V225 HydrophobicContact CB-CG2 4.46Å
224	H	98.8	Very high	98.6	Very high	61 Å²	61	30.2 Å²	30.2	28%	0.282	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	123.3	163	-177.8	87.2	0	0	0	108.9	E199 T200 V201 D244 Y262	E199-H224 PolarHBondContact O-N 3Å; T200-H224 CarbonylContact C-O 3.35Å; T200-H224 WeakPolarHBondContact CA-O 3.27Å; V201-H224 PolarHBondContact N-O 2.92Å; H224-D244 WeakPolarHBondContact CA-OD2 3.23Å; H224-D244 WeakPolarHBondContact CE1-CB 3.36Å; H224-D244 WeakPolarHBondContact ND1-CB 3.41Å; H224-D244 IonicContact ND1-OD2 3.51Å; H224-Y262 AromaticContact CD2-CE1 3.6Å; H224-Y262 AromaticContact NE2-CE1 3.42Å; H224-Y262 WeakPolarHBondContact NE2-CE1 3.4Å; H224-Y262 AromaticContact NE2-CZ 3.62Å; H224-Y262 PolarHBondContact NE2-OH 3.21Å
225	V	98.9	Very high	98.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.2	-169.9	-179.1	0	0	0	0	111.4	V201 V203 V215 A218 K219 C223 C243 D244 R245	V201-V225 HydrophobicContact CB-CG2 4.4Å; V201-V225 WeakPolarHBondContact O-CA 3.43Å; V203-V225 HydrophobicContact CG2-CG1 4.18Å; V215-V225 HydrophobicContact CB-CG1 4.3Å; V215-V225 HydrophobicContact CG1-CG1 4.05Å; V215-V225 HydrophobicContact CG2-CG1 4.08Å; A218-V225 HydrophobicContact CB-CG2 3.45Å; A218-V225 VanDerWaalsContact CB-CG2 3.45Å; K219-V225 HydrophobicContact CD-CB 3.81Å; K219-V225 HydrophobicContact CD-CG2 3.44Å; K219-V225 VanDerWaalsContact CD-CG2 3.44Å; K219-V225 HydrophobicContact CG-CB 4.37Å; K219-V225 HydrophobicContact CG-CG2 3.89Å; C223-V225 HydrophobicContact CB-CG2 4.46Å; V225-C243 PolarHBondContact O-SG 3.31Å; V225-D244 PolarHBondContact N-OD2 3.31Å; V225-D244 PolarHBondContact O-N 3.47Å; V225-R245 PolarHBondContact O-N 2.98Å
226	V	98.9	Very high	98.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	126.3	169.5	-170.2	0	0	0	0	108.3	T200 V201 L202 V203 R245 I247 L258 Y262	T200-V226 HydrophobicContact CG2-CG2 4.12Å; V201-V226 PolarHBondContact O-N 2.96Å; L202-V226 CarbonylContact C-O 3.58Å; L202-V226 WeakPolarHBondContact CA-O 3.36Å; L202-V226 HydrophobicContact CD1-CB 3.91Å; L202-V226 HydrophobicContact CD1-CG1 3.77Å; V203-V226 PolarHBondContact N-O 3.46Å; V226-R245 WeakPolarHBondContact CA-O 3.28Å; V226-R245 HydrophobicContact CG1-CB 4.29Å; V226-R245 HydrophobicContact CG1-CG 4.24Å; V226-R245 WeakPolarHBondContact CG1-O 3.38Å; V226-R245 HydrophobicContact CG2-CB 4.31Å; V226-I247 HydrophobicContact CG1-CD1 3.5Å; V226-I247 HydrophobicContact CG1-CG1 4.13Å; V226-L258 HydrophobicContact CG1-CD2 4.29Å; V226-Y262 HydrophobicContact CG1-CE2 4.49Å; V226-Y262 HydrophobicContact CG2-CD1 4.41Å; V226-Y262 HydrophobicContact CG2-CD2 4.47Å; V226-Y262 HydrophobicContact CG2-CE1 3.7Å; V226-Y262 HydrophobicContact CG2-CE2 3.79Å; V226-Y262 WeakPolarHBondContact CG2-OH 3.48Å
227	G	98.9	Very high	98.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.9	-176.4	0	0	0	0	0	111.8	V203 C243 R245 P246 I247	V203-G227 WeakPolarHBondContact O-CA 3.19Å; G227-C243 PolarHBondContact N-SG 3.2Å; G227-C243 VanDerWaalsContact N-SG 3.38Å; G227-R245 PolarHBondContact N-O 2.95Å; G227-P246 CarbonylContact O-C 3.5Å; G227-P246 WeakPolarHBondContact O-CA 3.39Å; G227-I247 PolarHBondContact O-N 3.06Å
228	T	98.8	Very high	98.6	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	139.2	178.3	77.5	0	0	0	0	112.2	L202 V203 T204 A206 I247 L254	L202-T228 HydrophobicContact CD1-CG2 3.79Å; V203-T228 PolarHBondContact O-N 3.39Å; T204-T228 WeakPolarHBondContact CA-OG1 3.37Å; A206-T228 PolarHBondContact N-O 3.39Å; T228-I247 WeakPolarHBondContact CA-O 3.07Å; T228-L254 HydrophobicContact CG2-CD1 3.74Å; T228-L254 HydrophobicContact CG2-CD2 3.9Å
229	C	98.8	Very high	98.6	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.027	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	171.4	178.5	66.2	0	0	0	0	112.2	A207 S231 K234 A235 L238 I247 N248 Y249	A207-C229 HydrophobicContact CB-CB 4.17Å; C229-S231 PolarHBondContact SG-O 3.22Å; C229-K234 HydrophobicContact CB-CB 3.59Å; C229-K234 HydrophobicContact CB-CD 4.25Å; C229-A235 PolarHBondContact SG-N 2.83Å; C229-A235 VanDerWaalsContact SG-N 3.43Å; C229-L238 HydrophobicContact CB-CD1 4.05Å; C229-I247 PolarHBondContact N-O 2.99Å; C229-N248 CarbonylContact O-C 3.52Å; C229-N248 VanDerWaalsContact O-CA 3.32Å; C229-N248 WeakPolarHBondContact O-CA 3.5Å; C229-N248 PolarHBondContact O-OD1 2.84Å; C229-Y249 VanDerWaalsContact C-CD1 3.47Å; C229-Y249 WeakPolarHBondContact O-CD1 3.03Å; C229-Y249 VanDerWaalsContact O-CE1 3.23Å; C229-Y249 WeakPolarHBondContact O-CE1 2.85Å; C229-Y249 PolarHBondContact O-N 3.48Å
230	S	98	Very high	98.6	Very high	29 Å²	29	41.4 Å²	41.4	20%	0.203	24%	0.235	C	C	.	.	S	Bend	trans	-101.4	0.3	-172.3	51.9	0	0	0	0	115.6	K234 N248 Y249 T250 G384	S230-K234 PolarHBondContact OG-NZ 3.39Å; S230-N248 PolarHBondContact O-OD1 3.18Å; S230-Y249 WeakPolarHBondContact CB-OH 3.39Å; S230-T250 VanDerWaalsContact O-CG2 3.31Å; S230-T250 WeakPolarHBondContact O-CG2 3.2Å; S230-T250 PolarHBondContact O-OG1 3.08Å; S230-G384 PolarHBondContact OG-O 3.07Å
231	S	98.3	Very high	98.6	Very high	31 Å²	31	37.8 Å²	37.8	22%	0.217	22%	0.218	C	C	.	.	S	Bend	trans	-153.2	160.4	-177.9	73.2	0	0	0	0	112.4	C229 E233 K234 A235 N248	C229-S231 PolarHBondContact SG-O 3.22Å; S231-E233 VanDerWaalsContact C-N 3.29Å; S231-E233 PolarHBondContact O-N 3.03Å; S231-K234 PolarHBondContact O-N 3.42Å; S231-K234 VanDerWaalsContact OG-CG 3.32Å; S231-K234 WeakPolarHBondContact OG-CG 3.05Å; S231-K234 PolarHBondContact OG-N 3.35Å; S231-A235 PolarHBondContact O-N 2.92Å; S231-N248 PolarHBondContact N-OD1 2.79Å
232	N	98	Very high	98.6	Very high	115 Å²	115	37.6 Å²	37.6	62%	0.615	22%	0.22	S	C	*	.	H	α-helix	trans	-68.4	-30	176.2	-69.1	-15.7	0	0	0	112.5	A235 G236 N248	N232-A235 PolarHBondContact O-N 3.3Å; N232-G236 PolarHBondContact O-N 3.26Å; N232-N248 PolarHBondContact N-ND2 2.95Å; N232-N248 PolarHBondContact OD1-ND2 2.98Å
233	E	97.5	Very high	98.6	Very high	135 Å²	135	36.4 Å²	36.4	63%	0.631	21%	0.207	S	C	*	.	H	α-helix	trans	-62.3	-48	172.5	-178.8	178.9	-168.1	0	0	111	S231 A235 G236 F237	S231-E233 VanDerWaalsContact C-N 3.29Å; S231-E233 PolarHBondContact O-N 3.03Å; E233-A235 VanDerWaalsContact C-N 3.31Å; E233-A235 PolarHBondContact O-N 3.48Å; E233-G236 WeakPolarHBondContact O-CA 3.36Å; E233-G236 PolarHBondContact O-N 3.02Å; E233-F237 PolarHBondContact O-N 3.34Å
234	K	98.8	Very high	98.6	Very high	14 Å²	14	39.8 Å²	39.8	6%	0.061	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-40.5	173.7	-73.2	173.6	-178	-151.8	0	112	A207 C229 S230 S231 G236 F237 L238 G384 K385 N386 V387	A207-K234 HydrophobicContact CB-CB 3.68Å; A207-K234 HydrophobicContact CB-CD 4.23Å; A207-K234 HydrophobicContact CB-CG 3.85Å; C229-K234 HydrophobicContact CB-CB 3.59Å; C229-K234 HydrophobicContact CB-CD 4.25Å; S230-K234 PolarHBondContact OG-NZ 3.39Å; S231-K234 PolarHBondContact O-N 3.42Å; S231-K234 VanDerWaalsContact OG-CG 3.32Å; S231-K234 WeakPolarHBondContact OG-CG 3.05Å; S231-K234 PolarHBondContact OG-N 3.35Å; K234-G236 VanDerWaalsContact C-N 3.27Å; K234-G236 PolarHBondContact O-N 3.3Å; K234-F237 PolarHBondContact O-N 3.25Å; K234-L238 VanDerWaalsContact O-CG 3.32Å; K234-L238 WeakPolarHBondContact O-CG 3.21Å; K234-L238 PolarHBondContact O-N 3.06Å; K234-G384 PolarHBondContact NZ-O 3.24Å; K234-K385 VanDerWaalsContact CE-O 3.31Å; K234-K385 WeakPolarHBondContact CE-O 3.4Å; K234-N386 WeakPolarHBondContact CE-O 3.47Å; K234-N386 PolarHBondContact NZ-O 3.24Å; K234-V387 HydrophobicContact CG-CG2 3.86Å
235	A	98.8	Very high	98.6	Very high	12 Å²	12	38.9 Å²	38.9	10%	0.099	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-36.8	174.2	0	0	0	0	0	111.6	C229 S231 N232 E233 L238 K239 P246	C229-A235 PolarHBondContact SG-N 2.83Å; C229-A235 VanDerWaalsContact SG-N 3.43Å; S231-A235 PolarHBondContact O-N 2.92Å; N232-A235 PolarHBondContact O-N 3.3Å; E233-A235 VanDerWaalsContact C-N 3.31Å; E233-A235 PolarHBondContact O-N 3.48Å; A235-L238 PolarHBondContact O-N 3.38Å; A235-K239 WeakPolarHBondContact O-CG 3.42Å; A235-K239 PolarHBondContact O-N 2.95Å; A235-P246 HydrophobicContact CB-CB 3.9Å
236	G	98.6	Very high	98.6	Very high	33 Å²	33	39.5 Å²	39.5	34%	0.34	22%	0.223	S	C	.	.	H	α-helix	trans	-60.1	-51.7	172.1	0	0	0	0	0	112	N232 E233 K234 L238 K239 T240	N232-G236 PolarHBondContact O-N 3.26Å; E233-G236 WeakPolarHBondContact O-CA 3.36Å; E233-G236 PolarHBondContact O-N 3.02Å; K234-G236 VanDerWaalsContact C-N 3.27Å; K234-G236 PolarHBondContact O-N 3.3Å; G236-L238 VanDerWaalsContact C-N 3.33Å; G236-L238 PolarHBondContact O-N 3.46Å; G236-K239 WeakPolarHBondContact O-CB 3.31Å; G236-K239 PolarHBondContact O-N 3.21Å; G236-K239 VanDerWaalsContact O-N 3.11Å; G236-T240 PolarHBondContact O-N 3.46Å
237	F	98.8	Very high	98.6	Very high	20 Å²	20	39.5 Å²	39.5	9%	0.088	22%	0.223	C	C	.	.	H	α-helix	trans	-55.9	-44.9	174	169.1	-106.5	0	0	0	112.4	A207 Q212 E233 K234 K239 T240 I241 V354 E356 V387	A207-F237 HydrophobicContact CB-CD1 4.06Å; Q212-F237 HydrophobicContact CB-CE1 3.98Å; Q212-F237 HydrophobicContact CB-CZ 4.05Å; E233-F237 PolarHBondContact O-N 3.34Å; K234-F237 PolarHBondContact O-N 3.25Å; F237-K239 PolarHBondContact O-N 3.14Å; F237-T240 PolarHBondContact O-N 2.8Å; F237-T240 PolarHBondContact O-OG1 3.08Å; F237-I241 HydrophobicContact CE1-CD1 3.87Å; F237-I241 HydrophobicContact CE2-CG2 3.87Å; F237-I241 HydrophobicContact CZ-CD1 4.09Å; F237-I241 HydrophobicContact CZ-CG2 3.92Å; F237-I241 PolarHBondContact O-N 3.43Å; F237-V354 HydrophobicContact CE2-CG1 4.46Å; F237-E356 HydrophobicContact CD2-CG 4.31Å; F237-E356 HydrophobicContact CE2-CB 3.66Å; F237-E356 HydrophobicContact CE2-CG 3.67Å; F237-E356 HydrophobicContact CZ-CB 3.58Å; F237-E356 HydrophobicContact CZ-CG 3.94Å; F237-V387 HydrophobicContact CB-CG1 3.86Å; F237-V387 HydrophobicContact CD1-CG1 3.69Å; F237-V387 HydrophobicContact CD2-CG1 4.13Å; F237-V387 HydrophobicContact CE1-CG1 4.26Å; F237-V387 HydrophobicContact CG-CG1 3.6Å
238	L	98.9	Very high	98.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-56.9	-37.3	177.4	-74	178.8	0	0	0	112.6	A206 A207 V215 C229 K234 A235 G236 I241 G242 C243 P246	A206-L238 HydrophobicContact CB-CD1 3.95Å; A206-L238 HydrophobicContact CB-CD2 3.69Å; A206-L238 HydrophobicContact CB-CG 4.48Å; A207-L238 HydrophobicContact CB-CD2 4.24Å; A207-L238 HydrophobicContact CB-CG 4.17Å; V215-L238 HydrophobicContact CG2-CD2 4.16Å; C229-L238 HydrophobicContact CB-CD1 4.05Å; K234-L238 VanDerWaalsContact O-CG 3.32Å; K234-L238 WeakPolarHBondContact O-CG 3.21Å; K234-L238 PolarHBondContact O-N 3.06Å; A235-L238 PolarHBondContact O-N 3.38Å; G236-L238 VanDerWaalsContact C-N 3.33Å; G236-L238 PolarHBondContact O-N 3.46Å; L238-I241 HydrophobicContact CD2-CD1 4.04Å; L238-I241 VanDerWaalsContact O-CG1 3.29Å; L238-I241 WeakPolarHBondContact O-CG1 3.39Å; L238-I241 PolarHBondContact O-N 3.23Å; L238-G242 PolarHBondContact O-N 2.81Å; L238-C243 HydrophobicContact CB-CB 3.84Å; L238-C243 WeakPolarHBondContact O-CB 3.32Å; L238-C243 PolarHBondContact O-N 3.32Å; L238-P246 HydrophobicContact CB-CB 4Å; L238-P246 HydrophobicContact CB-CG 4.01Å; L238-P246 HydrophobicContact CD1-CB 4.09Å
239	K	98.8	Very high	98.5	Very high	142 Å²	142	44.9 Å²	44.9	62%	0.617	24%	0.244	S	C	*	.	H	α-helix	trans	-65.3	-38.4	175.4	-64.9	175.8	-175.6	179.4	0	112	A235 G236 F237 I241 G242 P246	A235-K239 WeakPolarHBondContact O-CG 3.42Å; A235-K239 PolarHBondContact O-N 2.95Å; G236-K239 WeakPolarHBondContact O-CB 3.31Å; G236-K239 PolarHBondContact O-N 3.21Å; G236-K239 VanDerWaalsContact O-N 3.11Å; F237-K239 PolarHBondContact O-N 3.14Å; K239-I241 VanDerWaalsContact C-N 3.27Å; K239-I241 PolarHBondContact O-N 3.08Å; K239-G242 PolarHBondContact O-N 2.6Å; K239-G242 VanDerWaalsContact O-N 3.08Å; K239-P246 HydrophobicContact CD-CG 4.48Å; K239-P246 HydrophobicContact CG-CG 3.6Å
240	T	98.8	Very high	98.4	Very high	110 Å²	110	49.2 Å²	49.2	68%	0.675	27%	0.271	S	S	*	.	H	α-helix	trans	-66.9	-30.3	-178.6	71.2	0	0	0	0	112.3	G236 F237 G242	G236-T240 PolarHBondContact O-N 3.46Å; F237-T240 PolarHBondContact O-N 2.8Å; F237-T240 PolarHBondContact O-OG1 3.08Å; T240-G242 VanDerWaalsContact C-N 3.29Å
241	I	98.8	Very high	98.4	Very high	13 Å²	13	51.5 Å²	51.5	7%	0.067	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	12.1	174.6	66.1	169.7	0	0	0	113.5	Q212 V215 Q216 F237 L238 K239 V354	Q212-I241 HydrophobicContact CB-CD1 4.22Å; V215-I241 HydrophobicContact CB-CD1 3.96Å; V215-I241 HydrophobicContact CG1-CD1 3.75Å; V215-I241 HydrophobicContact CG1-CG1 3.91Å; Q216-I241 HydrophobicContact CG-CB 3.92Å; Q216-I241 HydrophobicContact CG-CD1 4.36Å; F237-I241 HydrophobicContact CE1-CD1 3.87Å; F237-I241 HydrophobicContact CE2-CG2 3.87Å; F237-I241 HydrophobicContact CZ-CD1 4.09Å; F237-I241 HydrophobicContact CZ-CG2 3.92Å; F237-I241 PolarHBondContact O-N 3.43Å; L238-I241 HydrophobicContact CD2-CD1 4.04Å; L238-I241 VanDerWaalsContact O-CG1 3.29Å; L238-I241 WeakPolarHBondContact O-CG1 3.39Å; L238-I241 PolarHBondContact O-N 3.23Å; K239-I241 VanDerWaalsContact C-N 3.27Å; K239-I241 PolarHBondContact O-N 3.08Å; I241-V354 HydrophobicContact CG2-CB 3.98Å; I241-V354 HydrophobicContact CG2-CG1 4.1Å; I241-V354 HydrophobicContact CG2-CG2 4.17Å
242	G	98.5	Very high	98.3	Very high	33 Å²	33	53 Å²	53	34%	0.34	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	13.8	170.1	0	0	0	0	0	116	K219 L238 K239 T240 D244	K219-G242 WeakPolarHBondContact CD-O 3.47Å; K219-G242 WeakPolarHBondContact CE-O 3.31Å; K219-G242 WeakPolarHBondContact CG-O 3.43Å; L238-G242 PolarHBondContact O-N 2.81Å; K239-G242 PolarHBondContact O-N 2.6Å; K239-G242 VanDerWaalsContact O-N 3.08Å; T240-G242 VanDerWaalsContact C-N 3.29Å; G242-D244 PolarHBondContact O-N 3.41Å
243	C	98.9	Very high	98.1	Very high	7 Å²	7	52.2 Å²	52.2	5%	0.047	29%	0.286	C	S	.	.			trans	-63	123.3	172.9	-176.4	0	0	0	0	110.6	V215 V225 G227 L238 P246	V215-C243 HydrophobicContact CG1-CB 3.95Å; V225-C243 PolarHBondContact O-SG 3.31Å; G227-C243 PolarHBondContact N-SG 3.2Å; G227-C243 VanDerWaalsContact N-SG 3.38Å; L238-C243 HydrophobicContact CB-CB 3.84Å; L238-C243 WeakPolarHBondContact O-CB 3.32Å; L238-C243 PolarHBondContact O-N 3.32Å; C243-P246 HydrophobicContact CB-CG 4.33Å
244	D	98.9	Very high	98	Very high	73 Å²	73	46.3 Å²	46.3	39%	0.39	26%	0.259	S	S	.	.	S	Bend	trans	-72.8	-38.8	-177	-50.7	-84.5	0	0	0	111.8	K219 H224 V225 G242	K219-D244 WeakPolarHBondContact CD-OD2 3.49Å; K219-D244 WeakPolarHBondContact CE-OD2 3.29Å; K219-D244 IonicContact NZ-OD1 2.6Å; K219-D244 PolarHBondContact NZ-OD1 2.9Å; K219-D244 IonicContact NZ-OD2 2.82Å; K219-D244 PolarHBondContact NZ-OD2 2.9Å; H224-D244 WeakPolarHBondContact CA-OD2 3.23Å; H224-D244 WeakPolarHBondContact CE1-CB 3.36Å; H224-D244 WeakPolarHBondContact ND1-CB 3.41Å; H224-D244 IonicContact ND1-OD2 3.51Å; V225-D244 PolarHBondContact N-OD2 3.31Å; V225-D244 PolarHBondContact O-N 3.47Å; G242-D244 PolarHBondContact O-N 3.41Å
245	R	98.7	Very high	97.7	Very high	43 Å²	43	47.5 Å²	47.5	16%	0.162	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	84.6	178.4	-175.2	55.7	168.2	106.4	-2.1	112.3	V225 V226 G227 I247 E252 T257 E261 Y262	V225-R245 PolarHBondContact O-N 2.98Å; V226-R245 WeakPolarHBondContact CA-O 3.28Å; V226-R245 HydrophobicContact CG1-CB 4.29Å; V226-R245 HydrophobicContact CG1-CG 4.24Å; V226-R245 WeakPolarHBondContact CG1-O 3.38Å; V226-R245 HydrophobicContact CG2-CB 4.31Å; G227-R245 PolarHBondContact N-O 2.95Å; R245-I247 HydrophobicContact CG-CD1 4.38Å; R245-I247 HydrophobicContact CG-CG1 4.04Å; R245-E252 IonicContact CZ-OE2 3.42Å; R245-E252 IonicContact NH1-OE1 3.59Å; R245-E252 PolarHBondContact NH1-OE1 2.78Å; R245-E252 VanDerWaalsContact NH1-OE1 3.14Å; R245-E252 IonicContact NH1-OE2 2.85Å; R245-E252 PolarHBondContact NH1-OE2 2.95Å; R245-E252 VanDerWaalsContact NH1-OE2 3.16Å; R245-E252 IonicContact NH2-OE1 3.7Å; R245-E252 IonicContact NH2-OE2 3.68Å; R245-E252 PolarHBondContact NH2-OE2 2.92Å; R245-T257 VanDerWaalsContact NH2-CG2 3.31Å; R245-E261 IonicContact CZ-OE1 3.08Å; R245-E261 IonicContact CZ-OE2 3.86Å; R245-E261 IonicContact NE-OE1 2.81Å; R245-E261 PolarHBondContact NE-OE1 2.8Å; R245-E261 IonicContact NE-OE2 3.31Å; R245-E261 PolarHBondContact NE-OE2 2.68Å; R245-E261 IonicContact NH2-OE1 2.72Å; R245-E261 PolarHBondContact NH2-OE1 2.79Å; R245-E261 IonicContact NH2-OE2 3.8Å; R245-Y262 WeakPolarHBondContact CB-OH 3.17Å; R245-Y262 HydrophobicContact CG-CE2 4.35Å; R245-Y262 WeakPolarHBondContact CG-OH 3.18Å
246	P	98.8	Very high	97.6	Very high	12 Å²	12	48.8 Å²	48.8	8%	0.078	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	134.4	164.1	-12.6	26	0	0	0	109.6	G227 A235 L238 K239 C243	G227-P246 CarbonylContact O-C 3.5Å; G227-P246 WeakPolarHBondContact O-CA 3.39Å; A235-P246 HydrophobicContact CB-CB 3.9Å; L238-P246 HydrophobicContact CB-CB 4Å; L238-P246 HydrophobicContact CB-CG 4.01Å; L238-P246 HydrophobicContact CD1-CB 4.09Å; K239-P246 HydrophobicContact CD-CG 4.48Å; K239-P246 HydrophobicContact CG-CG 3.6Å; C243-P246 HydrophobicContact CB-CG 4.33Å
247	I	98.6	Very high	97.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	114.5	174.6	-58.3	175	0	0	0	107.6	V226 G227 T228 C229 R245 Y249 E252 L254 T257	V226-I247 HydrophobicContact CG1-CD1 3.5Å; V226-I247 HydrophobicContact CG1-CG1 4.13Å; G227-I247 PolarHBondContact O-N 3.06Å; T228-I247 WeakPolarHBondContact CA-O 3.07Å; C229-I247 PolarHBondContact N-O 2.99Å; R245-I247 HydrophobicContact CG-CD1 4.38Å; R245-I247 HydrophobicContact CG-CG1 4.04Å; I247-Y249 PolarHBondContact O-N 2.99Å; I247-E252 HydrophobicContact CG2-CB 4.17Å; I247-L254 HydrophobicContact CB-CD1 4.37Å; I247-L254 HydrophobicContact CD1-CD1 3.58Å; I247-L254 HydrophobicContact CG2-CD1 4.02Å; I247-T257 HydrophobicContact CD1-CG2 3.73Å; I247-T257 HydrophobicContact CG1-CG2 4.31Å
248	N	98.4	Very high	97.4	Very high	7 Å²	7	47 Å²	47	4%	0.037	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	100.9	166.8	177.4	7.1	0	0	0	108.5	C229 S230 S231 N232 T250 S251 E252	C229-N248 CarbonylContact O-C 3.52Å; C229-N248 VanDerWaalsContact O-CA 3.32Å; C229-N248 WeakPolarHBondContact O-CA 3.5Å; C229-N248 PolarHBondContact O-OD1 2.84Å; S230-N248 PolarHBondContact O-OD1 3.18Å; S231-N248 PolarHBondContact N-OD1 2.79Å; N232-N248 PolarHBondContact N-ND2 2.95Å; N232-N248 PolarHBondContact OD1-ND2 2.98Å; N248-T250 VanDerWaalsContact CG-OG1 3.3Å; N248-T250 PolarHBondContact ND2-OG1 3.06Å; N248-T250 PolarHBondContact O-N 3.44Å; N248-T250 VanDerWaalsContact O-N 3.09Å; N248-T250 PolarHBondContact OD1-N 3.25Å; N248-T250 VanDerWaalsContact OD1-N 3.1Å; N248-T250 PolarHBondContact OD1-OG1 2.68Å; N248-S251 WeakPolarHBondContact CB-OG 3.5Å; N248-S251 PolarHBondContact ND2-OG 2.88Å; N248-S251 PolarHBondContact O-N 3.14Å; N248-S251 VanDerWaalsContact O-N 3.09Å; N248-S251 PolarHBondContact O-OG 3.11Å; N248-S251 VanDerWaalsContact O-OG 3.13Å; N248-E252 PolarHBondContact O-N 2.92Å
249	Y	97.4	Very high	97.1	Very high	110 Å²	110	54 Å²	54	43%	0.431	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-4.9	-174.8	63.1	-109	0	0	0	113.7	C229 S230 I247	C229-Y249 VanDerWaalsContact C-CD1 3.47Å; C229-Y249 WeakPolarHBondContact O-CD1 3.03Å; C229-Y249 VanDerWaalsContact O-CE1 3.23Å; C229-Y249 WeakPolarHBondContact O-CE1 2.85Å; C229-Y249 PolarHBondContact O-N 3.48Å; S230-Y249 WeakPolarHBondContact CB-OH 3.39Å; I247-Y249 PolarHBondContact O-N 2.99Å
250	T	97	Very high	97.1	Very high	95 Å²	95	55.6 Å²	55.6	58%	0.583	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-21.6	172.5	67.2	0	0	0	0	112.6	S230 N248	S230-T250 VanDerWaalsContact O-CG2 3.31Å; S230-T250 WeakPolarHBondContact O-CG2 3.2Å; S230-T250 PolarHBondContact O-OG1 3.08Å; N248-T250 VanDerWaalsContact CG-OG1 3.3Å; N248-T250 PolarHBondContact ND2-OG1 3.06Å; N248-T250 PolarHBondContact O-N 3.44Å; N248-T250 VanDerWaalsContact O-N 3.09Å; N248-T250 PolarHBondContact OD1-N 3.25Å; N248-T250 VanDerWaalsContact OD1-N 3.1Å; N248-T250 PolarHBondContact OD1-OG1 2.68Å
251	S	96.5	Very high	97.1	Very high	77 Å²	77	54.1 Å²	54.1	54%	0.538	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-15.4	179.5	57.5	0	0	0	0	113.6	N248	N248-S251 WeakPolarHBondContact CB-OG 3.5Å; N248-S251 PolarHBondContact ND2-OG 2.88Å; N248-S251 PolarHBondContact O-N 3.14Å; N248-S251 VanDerWaalsContact O-N 3.09Å; N248-S251 PolarHBondContact O-OG 3.11Å; N248-S251 VanDerWaalsContact O-OG 3.13Å
252	E	96.2	Very high	97	Very high	61 Å²	61	54.8 Å²	54.8	29%	0.285	28%	0.284	S	S	.	.	S	Bend	trans	-128.6	141.2	-178	-61.8	-177.4	-121.9	0	0	111.7	R245 I247 N248 L254	R245-E252 IonicContact CZ-OE2 3.42Å; R245-E252 IonicContact NH1-OE1 3.59Å; R245-E252 PolarHBondContact NH1-OE1 2.78Å; R245-E252 VanDerWaalsContact NH1-OE1 3.14Å; R245-E252 IonicContact NH1-OE2 2.85Å; R245-E252 PolarHBondContact NH1-OE2 2.95Å; R245-E252 VanDerWaalsContact NH1-OE2 3.16Å; R245-E252 IonicContact NH2-OE1 3.7Å; R245-E252 IonicContact NH2-OE2 3.68Å; R245-E252 PolarHBondContact NH2-OE2 2.92Å; I247-E252 HydrophobicContact CG2-CB 4.17Å; N248-E252 PolarHBondContact O-N 2.92Å; E252-L254 PolarHBondContact O-N 3.46Å; E252-L254 VanDerWaalsContact O-N 3.09Å
253	D	95.6	Very high	97	Very high	100 Å²	100	57.9 Å²	57.9	54%	0.535	30%	0.298	S	S	.	.			trans	-74.8	99.3	168.9	179.6	-18.5	0	0	0	109.8	S255 A256 T257	D253-S255 PolarHBondContact O-N 2.8Å; D253-S255 VanDerWaalsContact O-N 3.17Å; D253-S255 WeakPolarHBondContact OD1-CA 3.2Å; D253-S255 WeakPolarHBondContact OD1-CB 3.06Å; D253-S255 PolarHBondContact OD1-N 2.94Å; D253-A256 HydrophobicContact CB-CB 3.89Å; D253-A256 PolarHBondContact O-N 3.02Å; D253-A256 VanDerWaalsContact O-N 3.12Å; D253-A256 PolarHBondContact OD1-N 2.99Å; D253-T257 WeakPolarHBondContact O-CB 3.36Å; D253-T257 PolarHBondContact O-N 3.04Å; D253-T257 PolarHBondContact O-OG1 3.1Å; D253-T257 VanDerWaalsContact O-OG1 3.09Å
254	L	94.9	Very high	96.9	Very high	11 Å²	11	65.6 Å²	65.6	6%	0.058	33%	0.333	C	S	.	.	H	α-helix	trans	-50.1	-41	178.6	177.6	59.7	0	0	0	113.2	T228 I247 E252 L258 I277 M280	T228-L254 HydrophobicContact CG2-CD1 3.74Å; T228-L254 HydrophobicContact CG2-CD2 3.9Å; I247-L254 HydrophobicContact CB-CD1 4.37Å; I247-L254 HydrophobicContact CD1-CD1 3.58Å; I247-L254 HydrophobicContact CG2-CD1 4.02Å; E252-L254 PolarHBondContact O-N 3.46Å; E252-L254 VanDerWaalsContact O-N 3.09Å; L254-L258 HydrophobicContact CD1-CD1 3.83Å; L254-L258 HydrophobicContact CD1-CG 4.02Å; L254-L258 HydrophobicContact CG-CD1 4.06Å; L254-L258 WeakPolarHBondContact O-CB 3.26Å; L254-L258 VanDerWaalsContact O-CG 3.23Å; L254-L258 WeakPolarHBondContact O-CG 3.23Å; L254-L258 PolarHBondContact O-N 2.68Å; L254-I277 HydrophobicContact CD2-CD1 4.23Å; L254-M280 HydrophobicContact CD2-CE 3.55Å; L254-M280 HydrophobicContact CG-CE 3.94Å
255	S	92.7	Very high	96.8	Very high	38 Å²	38	62.6 Å²	62.6	27%	0.266	32%	0.32	S	S	.	.	H	α-helix	trans	-72.8	-39.3	-177.5	-61.6	0	0	0	0	111.8	D253 R259 M280	D253-S255 PolarHBondContact O-N 2.8Å; D253-S255 VanDerWaalsContact O-N 3.17Å; D253-S255 WeakPolarHBondContact OD1-CA 3.2Å; D253-S255 WeakPolarHBondContact OD1-CB 3.06Å; D253-S255 PolarHBondContact OD1-N 2.94Å; S255-R259 WeakPolarHBondContact O-CG 3.46Å; S255-R259 PolarHBondContact O-N 3.45Å; S255-R259 PolarHBondContact O-NH1 2.99Å; S255-M280 VanDerWaalsContact OG-CG 3.32Å; S255-M280 WeakPolarHBondContact OG-CG 3.29Å
256	A	95.1	Very high	96.8	Very high	39 Å²	39	60.6 Å²	60.6	32%	0.322	31%	0.312	S	S	.	.	H	α-helix	trans	-67	-43.8	175.2	0	0	0	0	0	111.5	D253 R259 K260	D253-A256 HydrophobicContact CB-CB 3.89Å; D253-A256 PolarHBondContact O-N 3.02Å; D253-A256 VanDerWaalsContact O-N 3.12Å; D253-A256 PolarHBondContact OD1-N 2.99Å; A256-R259 PolarHBondContact O-N 2.78Å; A256-K260 WeakPolarHBondContact O-CB 3.31Å; A256-K260 PolarHBondContact O-N 2.84Å
257	T	96.4	Very high	96.8	Very high	15 Å²	15	61.9 Å²	61.9	9%	0.092	32%	0.318	C	S	.	.	H	α-helix	trans	-57.7	-49.3	175.5	-64.3	0	0	0	0	111.1	R245 I247 D253 R259 K260 E261	R245-T257 VanDerWaalsContact NH2-CG2 3.31Å; I247-T257 HydrophobicContact CD1-CG2 3.73Å; I247-T257 HydrophobicContact CG1-CG2 4.31Å; D253-T257 WeakPolarHBondContact O-CB 3.36Å; D253-T257 PolarHBondContact O-N 3.04Å; D253-T257 PolarHBondContact O-OG1 3.1Å; D253-T257 VanDerWaalsContact O-OG1 3.09Å; T257-R259 PolarHBondContact O-N 3.24Å; T257-K260 PolarHBondContact O-N 2.85Å; T257-E261 HydrophobicContact CG2-CG 4.46Å; T257-E261 WeakPolarHBondContact O-CB 3.36Å; T257-E261 PolarHBondContact O-N 3.01Å
258	L	96.7	Very high	96.8	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-62.3	-43.2	180	-72.4	172.9	0	0	0	112.8	L202 V226 L254 K260 Y262 L266 M280	L202-L258 HydrophobicContact CD2-CD1 4.4Å; V226-L258 HydrophobicContact CG1-CD2 4.29Å; L254-L258 HydrophobicContact CD1-CD1 3.83Å; L254-L258 HydrophobicContact CD1-CG 4.02Å; L254-L258 HydrophobicContact CG-CD1 4.06Å; L254-L258 WeakPolarHBondContact O-CB 3.26Å; L254-L258 VanDerWaalsContact O-CG 3.23Å; L254-L258 WeakPolarHBondContact O-CG 3.23Å; L254-L258 PolarHBondContact O-N 2.68Å; L258-K260 VanDerWaalsContact C-N 3.32Å; L258-K260 PolarHBondContact O-N 2.72Å; L258-Y262 HydrophobicContact CD2-CD2 3.77Å; L258-Y262 HydrophobicContact CD2-CE2 4.31Å; L258-Y262 HydrophobicContact CD2-CG 4.5Å; L258-Y262 CarbonylContact O-C 3.52Å; L258-Y262 VanDerWaalsContact O-CA 3.3Å; L258-Y262 WeakPolarHBondContact O-CA 3.38Å; L258-Y262 WeakPolarHBondContact O-CB 3.27Å; L258-Y262 PolarHBondContact O-N 3.4Å; L258-L266 HydrophobicContact CD1-CD1 4.41Å; L258-L266 HydrophobicContact CD2-CD2 4.21Å; L258-M280 HydrophobicContact CD1-CE 3.79Å; L258-M280 HydrophobicContact CD1-SD 3.26Å; L258-M280 WeakPolarHBondContact CD1-SD 3.45Å
259	R	94.5	Very high	96.9	Very high	146 Å²	146	61.5 Å²	61.5	55%	0.551	32%	0.317	S	S	*	.	H	α-helix	trans	-63.3	-37.4	176.6	-74.3	-171.7	-59.7	-88.2	0.3	113.1	S255 A256 T257	S255-R259 WeakPolarHBondContact O-CG 3.46Å; S255-R259 PolarHBondContact O-N 3.45Å; S255-R259 PolarHBondContact O-NH1 2.99Å; A256-R259 PolarHBondContact O-N 2.78Å; T257-R259 PolarHBondContact O-N 3.24Å
260	K	97.5	Very high	96.9	Very high	177 Å²	177	56.3 Å²	56.3	77%	0.77	30%	0.296	S	S	*	.	H	α-helix	trans	-75.9	-47.7	-177.2	-178.7	-176.4	174.8	-173	0	111.8	A256 T257 L258	A256-K260 WeakPolarHBondContact O-CB 3.31Å; A256-K260 PolarHBondContact O-N 2.84Å; T257-K260 PolarHBondContact O-N 2.85Å; L258-K260 VanDerWaalsContact C-N 3.32Å; L258-K260 PolarHBondContact O-N 2.72Å
261	E	98.3	Very high	97	Very high	79 Å²	79	51.8 Å²	51.8	37%	0.369	27%	0.269	S	S	.	.	H	α-helix	trans	-90.9	-25.4	-171.4	-64.8	179.5	-156.3	0	0	112.7	R245 T257 P263	R245-E261 IonicContact CZ-OE1 3.08Å; R245-E261 IonicContact CZ-OE2 3.86Å; R245-E261 IonicContact NE-OE1 2.81Å; R245-E261 PolarHBondContact NE-OE1 2.8Å; R245-E261 IonicContact NE-OE2 3.31Å; R245-E261 PolarHBondContact NE-OE2 2.68Å; R245-E261 IonicContact NH2-OE1 2.72Å; R245-E261 PolarHBondContact NH2-OE1 2.79Å; R245-E261 IonicContact NH2-OE2 3.8Å; T257-E261 HydrophobicContact CG2-CG 4.46Å; T257-E261 WeakPolarHBondContact O-CB 3.36Å; T257-E261 PolarHBondContact O-N 3.01Å; E261-P263 WeakPolarHBondContact O-CD 3.48Å
262	Y	98.1	Very high	97.1	Very high	27 Å²	27	48.8 Å²	48.8	11%	0.106	25%	0.248	C	C	.	.			trans	-127.8	58.6	-176.4	-54.2	-84.1	0	0	0	111.8	T200 H224 V226 R245 L258 Q264 G265	T200-Y262 HydrophobicContact CG2-CD1 3.67Å; T200-Y262 HydrophobicContact CG2-CE1 3.92Å; H224-Y262 AromaticContact CD2-CE1 3.6Å; H224-Y262 AromaticContact NE2-CE1 3.42Å; H224-Y262 WeakPolarHBondContact NE2-CE1 3.4Å; H224-Y262 AromaticContact NE2-CZ 3.62Å; H224-Y262 PolarHBondContact NE2-OH 3.21Å; V226-Y262 HydrophobicContact CG1-CE2 4.49Å; V226-Y262 HydrophobicContact CG2-CD1 4.41Å; V226-Y262 HydrophobicContact CG2-CD2 4.47Å; V226-Y262 HydrophobicContact CG2-CE1 3.7Å; V226-Y262 HydrophobicContact CG2-CE2 3.79Å; V226-Y262 WeakPolarHBondContact CG2-OH 3.48Å; R245-Y262 WeakPolarHBondContact CB-OH 3.17Å; R245-Y262 HydrophobicContact CG-CE2 4.35Å; R245-Y262 WeakPolarHBondContact CG-OH 3.18Å; L258-Y262 HydrophobicContact CD2-CD2 3.77Å; L258-Y262 HydrophobicContact CD2-CE2 4.31Å; L258-Y262 HydrophobicContact CD2-CG 4.5Å; L258-Y262 CarbonylContact O-C 3.52Å; L258-Y262 VanDerWaalsContact O-CA 3.3Å; L258-Y262 WeakPolarHBondContact O-CA 3.38Å; L258-Y262 WeakPolarHBondContact O-CB 3.27Å; L258-Y262 PolarHBondContact O-N 3.4Å; Y262-Q264 PolarHBondContact O-N 3.25Å; Y262-Q264 VanDerWaalsContact O-N 3.15Å; Y262-G265 PolarHBondContact O-N 3.01Å
263	P	97.4	Very high	97.2	Very high	98 Å²	98	47.6 Å²	47.6	64%	0.636	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.2	-176.2	27.6	-36.3	0	0	0	113.9	E261 G265	E261-P263 WeakPolarHBondContact O-CD 3.48Å; P263-G265 VanDerWaalsContact C-N 3.28Å
264	Q	96.9	Very high	97.3	Very high	168 Å²	168	43 Å²	43	79%	0.785	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-8.4	174.4	-58.9	-56.6	-37.7	0	0	113.1	Y262 A286	Y262-Q264 PolarHBondContact O-N 3.25Å; Y262-Q264 VanDerWaalsContact O-N 3.15Å; Q264-A286 WeakPolarHBondContact O-CA 3.44Å; Q264-A286 WeakPolarHBondContact O-CB 3.49Å
265	G	97.8	Very high	97.4	Very high	10 Å²	10	42.6 Å²	42.6	10%	0.103	22%	0.218	C	C	.	.			trans	88.4	-170.9	-179.7	0	0	0	0	0	114.3	Y262 P263 N284	Y262-G265 PolarHBondContact O-N 3.01Å; P263-G265 VanDerWaalsContact C-N 3.28Å; G265-N284 CarbonylContact C-O 3.6Å; G265-N284 WeakPolarHBondContact CA-O 3.39Å
266	L	98.6	Very high	97.5	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.1	-175.4	-57.7	166.3	0	0	0	109.8	T200 L202 L258 V269 N284 L285 A286	T200-L266 HydrophobicContact CG2-CD2 3.65Å; L202-L266 HydrophobicContact CB-CD1 3.79Å; L202-L266 HydrophobicContact CB-CD2 3.98Å; L202-L266 HydrophobicContact CB-CG 4.38Å; L202-L266 HydrophobicContact CD2-CD1 3.57Å; L202-L266 HydrophobicContact CG-CD1 4.27Å; L258-L266 HydrophobicContact CD1-CD1 4.41Å; L258-L266 HydrophobicContact CD2-CD2 4.21Å; L266-V269 HydrophobicContact CB-CG2 3.99Å; L266-V269 HydrophobicContact CD1-CG2 3.96Å; L266-N284 HydrophobicContact CD1-CB 4.03Å; L266-N284 PolarHBondContact N-O 3.48Å; L266-L285 WeakPolarHBondContact O-CA 3.31Å; L266-A286 PolarHBondContact O-N 3.32Å
267	D	98.9	Very high	97.6	Very high	39 Å²	39	51.7 Å²	51.7	21%	0.209	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-34.5	-179.6	-59.4	-63	0	0	0	111.8	E199 T200 G289 R290	E199-D267 WeakPolarHBondContact CA-OD2 3.37Å; E199-D267 HydrophobicContact CB-CB 3.79Å; E199-D267 HydrophobicContact CG-CB 3.88Å; T200-D267 PolarHBondContact N-OD2 2.83Å; T200-D267 PolarHBondContact O-N 2.98Å; D267-G289 CarbonylContact O-C 3.58Å; D267-G289 VanDerWaalsContact O-CA 3.3Å; D267-G289 WeakPolarHBondContact O-CA 3.43Å; D267-R290 PolarHBondContact O-N 2.77Å; D267-R290 PolarHBondContact O-NE 3.08Å
268	V	98.9	Very high	97.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	139.6	177	-173.7	0	0	0	0	110.4	L195 T200 V201 L202 R290 I292	L195-V268 HydrophobicContact CD2-CB 4.31Å; L195-V268 HydrophobicContact CD2-CG1 4.16Å; L195-V268 HydrophobicContact CD2-CG2 3.9Å; T200-V268 PolarHBondContact O-N 3.48Å; V201-V268 CarbonylContact C-O 3.56Å; V201-V268 WeakPolarHBondContact CA-O 3.39Å; V201-V268 HydrophobicContact CG1-CB 4.3Å; V201-V268 HydrophobicContact CG1-CG1 4.46Å; V201-V268 HydrophobicContact CG2-CB 4.13Å; L202-V268 PolarHBondContact N-O 3.16Å; V268-R290 CarbonylContact C-O 3.17Å; V268-R290 VanDerWaalsContact CA-O 3.27Å; V268-R290 WeakPolarHBondContact CA-O 3.43Å; V268-I292 HydrophobicContact CG1-CD1 4.3Å
269	V	98.9	Very high	97.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121.9	171.4	-174.6	0	0	0	0	109.9	L202 L266 E271 A281 L285 R290 L291 I292	L202-V269 HydrophobicContact CB-CG1 4.22Å; L202-V269 HydrophobicContact CB-CG2 4.2Å; L202-V269 HydrophobicContact CD2-CG1 3.99Å; L202-V269 HydrophobicContact CD2-CG2 4.48Å; L202-V269 HydrophobicContact CG-CG1 4.25Å; L202-V269 CarbonylContact O-C 3.57Å; L202-V269 WeakPolarHBondContact O-CA 3.38Å; L266-V269 HydrophobicContact CB-CG2 3.99Å; L266-V269 HydrophobicContact CD1-CG2 3.96Å; V269-E271 HydrophobicContact CG1-CB 4.05Å; V269-E271 HydrophobicContact CG1-CG 4.25Å; V269-A281 HydrophobicContact CG1-CB 3.93Å; V269-A281 HydrophobicContact CG2-CB 4.35Å; V269-L285 HydrophobicContact CG2-CD2 3.8Å; V269-R290 PolarHBondContact N-O 3.29Å; V269-L291 HydrophobicContact CB-CB 4.3Å; V269-L291 HydrophobicContact CB-CG 4.05Å; V269-L291 HydrophobicContact CG1-CG 4.34Å; V269-I292 PolarHBondContact O-N 3.37Å
270	Y	98.9	Very high	97.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	95.1	167.4	-169.3	-84	0	0	0	108.6	A185 A188 M189 L202 V203 T204 T210 A214 I294	A185-Y270 HydrophobicContact CB-CE2 4.43Å; A188-Y270 HydrophobicContact CB-CE2 4.26Å; M189-Y270 HydrophobicContact CG-CD2 4.16Å; M189-Y270 HydrophobicContact CG-CE2 4.39Å; M189-Y270 HydrophobicContact SD-CD2 3.68Å; M189-Y270 HydrophobicContact SD-CE2 4.46Å; M189-Y270 HydrophobicContact SD-CG 4.49Å; L202-Y270 PolarHBondContact O-N 3.04Å; V203-Y270 HydrophobicContact CG1-CD1 4.04Å; V203-Y270 HydrophobicContact CG1-CG 4.47Å; T204-Y270 PolarHBondContact N-O 3.27Å; T204-Y270 PolarHBondContact OG1-O 3.18Å; T210-Y270 HydrophobicContact CG2-CE1 4.02Å; T210-Y270 PolarHBondContact OG1-OH 2.94Å; A214-Y270 HydrophobicContact CB-CD1 3.87Å; A214-Y270 HydrophobicContact CB-CD2 3.78Å; A214-Y270 HydrophobicContact CB-CE1 4Å; A214-Y270 HydrophobicContact CB-CE2 3.89Å; A214-Y270 HydrophobicContact CB-CG 3.75Å; Y270-I294 HydrophobicContact CD1-CG1 3.91Å; Y270-I294 HydrophobicContact CD2-CD1 3.83Å; Y270-I294 HydrophobicContact CD2-CG1 3.75Å; Y270-I294 HydrophobicContact CE1-CB 4.13Å; Y270-I294 HydrophobicContact CE1-CD1 4.33Å; Y270-I294 HydrophobicContact CE1-CG1 3.66Å; Y270-I294 HydrophobicContact CE1-CG2 3.91Å; Y270-I294 HydrophobicContact CE2-CD1 3.32Å; Y270-I294 HydrophobicContact CE2-CG1 3.51Å; Y270-I294 HydrophobicContact CG-CG1 3.95Å; Y270-I294 VanDerWaalsContact CZ-CG1 3.46Å; Y270-I294 WeakPolarHBondContact OH-CG2 3.43Å
271	E	98.8	Very high	97.7	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	117.7	-167.6	-146.1	-67.7	114	0	0	111.1	T204 V269 I273 G274 A281 L291 I292 I294 G295	T204-E271 HydrophobicContact CG2-CG 4.48Å; T204-E271 WeakPolarHBondContact OG1-CA 3.43Å; V269-E271 HydrophobicContact CG1-CB 4.05Å; V269-E271 HydrophobicContact CG1-CG 4.25Å; E271-I273 WeakPolarHBondContact OE1-CA 3.23Å; E271-I273 WeakPolarHBondContact OE1-CB 3.21Å; E271-I273 PolarHBondContact OE1-N 3.17Å; E271-G274 VanDerWaalsContact CD-N 3.35Å; E271-G274 PolarHBondContact OE1-N 3.35Å; E271-G274 WeakPolarHBondContact OE2-CA 3.33Å; E271-G274 PolarHBondContact OE2-N 3.38Å; E271-A281 HydrophobicContact CG-CB 4.47Å; E271-L291 HydrophobicContact CB-CD2 3.8Å; E271-L291 HydrophobicContact CB-CG 4.12Å; E271-L291 HydrophobicContact CG-CD1 4.46Å; E271-L291 HydrophobicContact CG-CD2 4.36Å; E271-I292 WeakPolarHBondContact CB-O 3.37Å; E271-I292 PolarHBondContact N-O 2.88Å; E271-I294 WeakPolarHBondContact O-CB 3.5Å; E271-I294 PolarHBondContact O-N 2.61Å; E271-G295 PolarHBondContact O-N 2.9Å
272	S	98.6	Very high	97.6	Very high	14 Å²	14	34.5 Å²	34.5	10%	0.098	17%	0.169	C	C	.	.			trans	-126.1	-2.4	-175.5	-61.5	0	0	0	0	113.4	T204 G295 F296 I297	T204-S272 PolarHBondContact OG1-N 3.08Å; S272-G295 CarbonylContact C-O 3.53Å; S272-G295 VanDerWaalsContact CA-O 3.25Å; S272-G295 WeakPolarHBondContact CA-O 3.43Å; S272-G295 CarbonylContact O-C 3.54Å; S272-F296 PolarHBondContact O-N 2.9Å; S272-I297 PolarHBondContact O-N 3.46Å; S272-I297 VanDerWaalsContact O-N 3.12Å
273	I	98.3	Very high	97.5	Very high	35 Å²	35	36.7 Å²	36.7	18%	0.179	18%	0.183	C	C	.	.	S	Bend	trans	-100.2	-43.9	-172.4	-59.7	-62	0	0	0	111.9	A205 E271 I277 F296 I297 S298	A205-I273 HydrophobicContact CB-CD1 3.89Å; E271-I273 WeakPolarHBondContact OE1-CA 3.23Å; E271-I273 WeakPolarHBondContact OE1-CB 3.21Å; E271-I273 PolarHBondContact OE1-N 3.17Å; I273-I277 HydrophobicContact CB-CB 4.06Å; I273-I277 HydrophobicContact CB-CG1 4.24Å; I273-I277 HydrophobicContact CB-CG2 4.14Å; I273-I277 HydrophobicContact CG2-CB 3.96Å; I273-I277 HydrophobicContact CG2-CG1 3.68Å; I273-F296 CarbonylContact O-C 3.43Å; I273-F296 WeakPolarHBondContact O-CA 3.4Å; I273-I297 HydrophobicContact CD1-CG2 3.77Å; I273-I297 PolarHBondContact O-N 2.88Å; I273-S298 VanDerWaalsContact O-CB 3.26Å; I273-S298 WeakPolarHBondContact O-CB 3.1Å; I273-S298 PolarHBondContact O-N 3.11Å; I273-S298 VanDerWaalsContact O-N 3.09Å; I273-S298 PolarHBondContact O-OG 3.26Å
274	G	97.3	Very high	97.5	Very high	3 Å²	3	33.1 Å²	33.1	3%	0.031	16%	0.158	C	C	.	.			trans	79.5	-169.5	-177.5	0	0	0	0	0	114.5	E271 R276 I277 F278	E271-G274 VanDerWaalsContact CD-N 3.35Å; E271-G274 PolarHBondContact OE1-N 3.35Å; E271-G274 WeakPolarHBondContact OE2-CA 3.33Å; E271-G274 PolarHBondContact OE2-N 3.38Å; G274-R276 PolarHBondContact O-N 3.16Å; G274-I277 PolarHBondContact O-N 3.18Å; G274-I277 VanDerWaalsContact O-N 3.14Å; G274-F278 PolarHBondContact O-N 3.02Å
275	G	96.4	Very high	97.5	Very high	4 Å²	4	25.2 Å²	25.2	4%	0.041	12%	0.122	C	C	.	.	H	α-helix	trans	56	-128.7	174.7	0	0	0	0	0	113.6	I277 F278 D279 T308	G275-I277 PolarHBondContact O-N 3.12Å; G275-F278 WeakPolarHBondContact O-CB 3.44Å; G275-F278 PolarHBondContact O-N 3.09Å; G275-D279 PolarHBondContact O-N 2.75Å; G275-T308 WeakPolarHBondContact CA-O 3.25Å
276	R	95.2	Very high	97.6	Very high	219 Å²	219	25 Å²	25	83%	0.826	12%	0.119	S	C	*	.	H	α-helix	trans	-61.5	-29	-179.9	-69.6	177.8	62.9	-176.7	-1.5	113.4	G274 M280	G274-R276 PolarHBondContact O-N 3.16Å; R276-M280 WeakPolarHBondContact O-CB 3.3Å; R276-M280 PolarHBondContact O-N 2.63Å
277	I	96.9	Very high	97.6	Very high	48 Å²	48	30.7 Å²	30.7	25%	0.246	15%	0.149	C	C	.	.	H	α-helix	trans	-73.5	-40.6	178.9	-59.5	-55.6	0	0	0	110.3	T204 L254 I273 G274 G275 M280 A281	T204-I277 HydrophobicContact CG2-CG2 3.81Å; L254-I277 HydrophobicContact CD2-CD1 4.23Å; I273-I277 HydrophobicContact CB-CB 4.06Å; I273-I277 HydrophobicContact CB-CG1 4.24Å; I273-I277 HydrophobicContact CB-CG2 4.14Å; I273-I277 HydrophobicContact CG2-CB 3.96Å; I273-I277 HydrophobicContact CG2-CG1 3.68Å; G274-I277 PolarHBondContact O-N 3.18Å; G274-I277 VanDerWaalsContact O-N 3.14Å; G275-I277 PolarHBondContact O-N 3.12Å; I277-M280 HydrophobicContact CG2-CE 4.27Å; I277-M280 PolarHBondContact O-N 3Å; I277-A281 WeakPolarHBondContact O-CB 3.44Å; I277-A281 PolarHBondContact O-N 2.68Å
278	F	97.8	Very high	97.5	Very high	20 Å²	20	36.5 Å²	36.5	9%	0.088	17%	0.173	C	C	.	.	H	α-helix	trans	-58.6	-49.3	170.4	176.1	-88.8	0	0	0	111.7	G274 G275 M280 A281 V282 L291 V293 V309 V325	G274-F278 PolarHBondContact O-N 3.02Å; G275-F278 WeakPolarHBondContact O-CB 3.44Å; G275-F278 PolarHBondContact O-N 3.09Å; F278-M280 VanDerWaalsContact C-N 3.28Å; F278-M280 PolarHBondContact O-N 2.93Å; F278-A281 PolarHBondContact O-N 2.76Å; F278-A281 VanDerWaalsContact O-N 3.15Å; F278-V282 HydrophobicContact CD1-CG2 4.17Å; F278-V282 HydrophobicContact CE1-CG2 3.72Å; F278-V282 HydrophobicContact CE2-CG2 4.34Å; F278-V282 HydrophobicContact CZ-CG2 3.81Å; F278-V282 WeakPolarHBondContact O-CG2 3.27Å; F278-V282 PolarHBondContact O-N 3.45Å; F278-L291 HydrophobicContact CD2-CD1 3.99Å; F278-L291 HydrophobicContact CD2-CD2 3.88Å; F278-L291 HydrophobicContact CE2-CD1 3.96Å; F278-L291 HydrophobicContact CE2-CD2 3.59Å; F278-L291 HydrophobicContact CE2-CG 4.46Å; F278-V293 HydrophobicContact CD2-CG2 4.46Å; F278-V293 HydrophobicContact CE2-CG2 3.88Å; F278-V309 HydrophobicContact CD1-CB 4.37Å; F278-V309 HydrophobicContact CD1-CG1 3.96Å; F278-V309 HydrophobicContact CG-CG1 4.48Å; F278-V325 HydrophobicContact CE2-CG1 4.06Å; F278-V325 HydrophobicContact CZ-CG1 4.14Å; F278-V325 HydrophobicContact CZ-CG2 4.19Å
279	D	95.9	Very high	97.5	Very high	20 Å²	20	36.5 Å²	36.5	11%	0.107	17%	0.173	C	C	.	.	H	α-helix	trans	-58.1	-42.4	178.3	-72.5	-23.1	0	0	0	111.8	G275 N283 K310	G275-D279 PolarHBondContact O-N 2.75Å; D279-N283 PolarHBondContact O-N 3.25Å; D279-N283 PolarHBondContact O-ND2 2.84Å; D279-K310 PolarHBondContact OD1-N 3.33Å; D279-K310 WeakPolarHBondContact OD2-CB 3.34Å; D279-K310 WeakPolarHBondContact OD2-CG 3.2Å; D279-K310 PolarHBondContact OD2-N 2.96Å; D279-K310 VanDerWaalsContact OD2-N 3.08Å
280	M	95.9	Very high	97.5	Very high	12 Å²	12	37.7 Å²	37.7	6%	0.059	18%	0.177	C	C	.	.	H	α-helix	trans	-63	-47.8	176	178.3	-73.7	-65.6	0	0	111	L202 L254 S255 L258 R276 I277 F278 V282 N283 N284	L202-M280 HydrophobicContact CD2-CE 4.23Å; L254-M280 HydrophobicContact CD2-CE 3.55Å; L254-M280 HydrophobicContact CG-CE 3.94Å; S255-M280 VanDerWaalsContact OG-CG 3.32Å; S255-M280 WeakPolarHBondContact OG-CG 3.29Å; L258-M280 HydrophobicContact CD1-CE 3.79Å; L258-M280 HydrophobicContact CD1-SD 3.26Å; L258-M280 WeakPolarHBondContact CD1-SD 3.45Å; R276-M280 WeakPolarHBondContact O-CB 3.3Å; R276-M280 PolarHBondContact O-N 2.63Å; I277-M280 HydrophobicContact CG2-CE 4.27Å; I277-M280 PolarHBondContact O-N 3Å; F278-M280 VanDerWaalsContact C-N 3.28Å; F278-M280 PolarHBondContact O-N 2.93Å; M280-V282 PolarHBondContact O-N 2.76Å; M280-N283 PolarHBondContact O-N 3.25Å; M280-N284 PolarHBondContact O-N 2.88Å; M280-N284 VanDerWaalsContact O-N 3.09Å; M280-N284 PolarHBondContact O-ND2 3.35Å; M280-N284 PolarHBondContact SD-ND2 3.22Å; M280-N284 VanDerWaalsContact SD-ND2 3.42Å
281	A	97.1	Very high	97.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.1	-47.5	-179.7	0	0	0	0	0	111.3	V269 E271 I277 F278 N283 N284 L285 L291	V269-A281 HydrophobicContact CG1-CB 3.93Å; V269-A281 HydrophobicContact CG2-CB 4.35Å; E271-A281 HydrophobicContact CG-CB 4.47Å; I277-A281 WeakPolarHBondContact O-CB 3.44Å; I277-A281 PolarHBondContact O-N 2.68Å; F278-A281 PolarHBondContact O-N 2.76Å; F278-A281 VanDerWaalsContact O-N 3.15Å; A281-N283 VanDerWaalsContact C-N 3.3Å; A281-N283 PolarHBondContact O-N 2.94Å; A281-N284 CarbonylContact O-C 3.6Å; A281-N284 PolarHBondContact O-N 3.46Å; A281-N284 VanDerWaalsContact O-N 3.09Å; A281-L285 PolarHBondContact O-N 3.39Å; A281-L285 VanDerWaalsContact O-N 3.1Å; A281-L291 HydrophobicContact CB-CD1 3.61Å
282	V	97.1	Very high	97.5	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.03	18%	0.177	C	C	.	.	H	α-helix	trans	-55.3	-44.5	175.8	169.9	0	0	0	0	111.6	F278 M280 N284 L285 L291 L314 K317 V325	F278-V282 HydrophobicContact CD1-CG2 4.17Å; F278-V282 HydrophobicContact CE1-CG2 3.72Å; F278-V282 HydrophobicContact CE2-CG2 4.34Å; F278-V282 HydrophobicContact CZ-CG2 3.81Å; F278-V282 WeakPolarHBondContact O-CG2 3.27Å; F278-V282 PolarHBondContact O-N 3.45Å; M280-V282 PolarHBondContact O-N 2.76Å; V282-N284 VanDerWaalsContact C-N 3.28Å; V282-N284 PolarHBondContact O-N 2.76Å; V282-L285 PolarHBondContact O-N 2.7Å; V282-L291 HydrophobicContact CG2-CD1 3.77Å; V282-L314 HydrophobicContact CB-CD1 4.41Å; V282-L314 HydrophobicContact CG1-CD1 3.58Å; V282-L314 HydrophobicContact CG2-CD1 3.92Å; V282-K317 HydrophobicContact CG1-CB 4.28Å; V282-K317 HydrophobicContact CG1-CD 4Å; V282-V325 HydrophobicContact CG2-CG2 4.44Å
283	N	95.5	Very high	97.5	Very high	74 Å²	74	38.4 Å²	38.4	40%	0.396	18%	0.181	S	C	.	.	H	α-helix	trans	-66.3	-32.3	-179.1	-65.2	-30	0	0	0	112.3	D279 M280 A281 K317 K321	D279-N283 PolarHBondContact O-N 3.25Å; D279-N283 PolarHBondContact O-ND2 2.84Å; M280-N283 PolarHBondContact O-N 3.25Å; A281-N283 VanDerWaalsContact C-N 3.3Å; A281-N283 PolarHBondContact O-N 2.94Å; N283-K317 WeakPolarHBondContact OD1-CD 3.42Å; N283-K317 VanDerWaalsContact OD1-CE 3.23Å; N283-K317 WeakPolarHBondContact OD1-CE 3.5Å; N283-K317 PolarHBondContact OD1-NZ 2.96Å; N283-K321 PolarHBondContact O-NZ 2.81Å
284	N	97	Very high	97.6	Very high	22 Å²	22	38.2 Å²	38.2	12%	0.118	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	7.7	-177.4	-68.4	-81.9	0	0	0	113.7	G265 L266 M280 A281 V282	G265-N284 CarbonylContact C-O 3.6Å; G265-N284 WeakPolarHBondContact CA-O 3.39Å; L266-N284 HydrophobicContact CD1-CB 4.03Å; L266-N284 PolarHBondContact N-O 3.48Å; M280-N284 PolarHBondContact O-N 2.88Å; M280-N284 VanDerWaalsContact O-N 3.09Å; M280-N284 PolarHBondContact O-ND2 3.35Å; M280-N284 PolarHBondContact SD-ND2 3.22Å; M280-N284 VanDerWaalsContact SD-ND2 3.42Å; A281-N284 CarbonylContact O-C 3.6Å; A281-N284 PolarHBondContact O-N 3.46Å; A281-N284 VanDerWaalsContact O-N 3.09Å; V282-N284 VanDerWaalsContact C-N 3.28Å; V282-N284 PolarHBondContact O-N 2.76Å
285	L	98.4	Very high	97.6	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	141.7	172.2	-74.5	171.7	0	0	0	111.2	L266 V269 A281 V282 L291 L318 K321 A323	L266-L285 WeakPolarHBondContact O-CA 3.31Å; V269-L285 HydrophobicContact CG2-CD2 3.8Å; A281-L285 PolarHBondContact O-N 3.39Å; A281-L285 VanDerWaalsContact O-N 3.1Å; V282-L285 PolarHBondContact O-N 2.7Å; L285-L291 HydrophobicContact CD1-CB 4.24Å; L285-L291 HydrophobicContact CD2-CB 4.3Å; L285-L318 HydrophobicContact CD1-CD2 4.41Å; L285-K321 HydrophobicContact CB-CD 4.39Å; L285-K321 VanDerWaalsContact O-CD 3.31Å; L285-K321 WeakPolarHBondContact O-CD 3.36Å; L285-K321 PolarHBondContact O-NZ 2.93Å; L285-A323 HydrophobicContact CB-CB 4.49Å; L285-A323 HydrophobicContact CD1-CB 4.02Å
286	A	98.6	Very high	97.7	Very high	6 Å²	6	41.7 Å²	41.7	5%	0.05	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	170.6	167.3	0	0	0	0	0	110.4	Q264 L266 K288 G289	Q264-A286 WeakPolarHBondContact O-CA 3.44Å; Q264-A286 WeakPolarHBondContact O-CB 3.49Å; L266-A286 PolarHBondContact O-N 3.32Å; A286-K288 PolarHBondContact O-N 2.87Å; A286-G289 PolarHBondContact O-N 2.83Å
287	N	98.4	Very high	97.8	Very high	120 Å²	120	33.2 Å²	33.2	64%	0.642	17%	0.166	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-59.3	131.2	165.9	-73.7	-18.7	0	0	0	109.1	G289 K321	N287-G289 PolarHBondContact O-N 3.41Å; N287-K321 CarbonylContact C-O 3.58Å; N287-K321 WeakPolarHBondContact CA-O 3.35Å
288	K	98.5	Very high	97.8	Very high	162 Å²	162	34 Å²	34	70%	0.704	18%	0.176	S	C	*	.	E	Extended strand (participates in β ladder)	trans	65.8	13.7	-172.8	-50.3	174.8	-178.1	176.3	0	114.7	A286 K321 S322	A286-K288 PolarHBondContact O-N 2.87Å; K288-K321 PolarHBondContact N-O 3.11Å; K288-S322 WeakPolarHBondContact CA-O 3.07Å
289	G	98.7	Very high	97.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	152.4	179.4	0	0	0	0	0	113.6	D267 A286 N287 A323 S324	D267-G289 CarbonylContact O-C 3.58Å; D267-G289 VanDerWaalsContact O-CA 3.3Å; D267-G289 WeakPolarHBondContact O-CA 3.43Å; A286-G289 PolarHBondContact O-N 2.83Å; N287-G289 PolarHBondContact O-N 3.41Å; G289-A323 CarbonylContact O-C 3.51Å; G289-A323 VanDerWaalsContact O-CA 3.27Å; G289-A323 WeakPolarHBondContact O-CA 3.34Å; G289-A323 VanDerWaalsContact O-CB 3.32Å; G289-A323 WeakPolarHBondContact O-CB 3.44Å; G289-S324 PolarHBondContact O-N 3.08Å
290	R	98.8	Very high	97.9	Very high	24 Å²	24	33.1 Å²	33.1	9%	0.091	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	113.4	-176	-61.6	154.9	-71.9	-165.5	0.6	110.1	G193 D194 E199 D267 V268 V269	G193-R290 PolarHBondContact O-NE 3.13Å; G193-R290 PolarHBondContact O-NH1 3.24Å; D194-R290 VanDerWaalsContact CB-NH1 3.33Å; D194-R290 PolarHBondContact O-NH1 2.92Å; E199-R290 IonicContact OE1-CZ 2.95Å; E199-R290 IonicContact OE1-NH1 3.63Å; E199-R290 IonicContact OE1-NH2 3.39Å; E199-R290 PolarHBondContact OE1-NH2 3.06Å; E199-R290 IonicContact OE2-CZ 3.57Å; E199-R290 IonicContact OE2-NH2 2.78Å; E199-R290 PolarHBondContact OE2-NH2 3.24Å; D267-R290 PolarHBondContact O-N 2.77Å; D267-R290 PolarHBondContact O-NE 3.08Å; V268-R290 CarbonylContact C-O 3.17Å; V268-R290 VanDerWaalsContact CA-O 3.27Å; V268-R290 WeakPolarHBondContact CA-O 3.43Å; V269-R290 PolarHBondContact N-O 3.29Å
291	L	98.9	Very high	98	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119	170.2	-172.7	161.5	0	0	0	109	V269 E271 F278 A281 V282 L285 V293 S324 V325 R326	V269-L291 HydrophobicContact CB-CB 4.3Å; V269-L291 HydrophobicContact CB-CG 4.05Å; V269-L291 HydrophobicContact CG1-CG 4.34Å; E271-L291 HydrophobicContact CB-CD2 3.8Å; E271-L291 HydrophobicContact CB-CG 4.12Å; E271-L291 HydrophobicContact CG-CD1 4.46Å; E271-L291 HydrophobicContact CG-CD2 4.36Å; F278-L291 HydrophobicContact CD2-CD1 3.99Å; F278-L291 HydrophobicContact CD2-CD2 3.88Å; F278-L291 HydrophobicContact CE2-CD1 3.96Å; F278-L291 HydrophobicContact CE2-CD2 3.59Å; F278-L291 HydrophobicContact CE2-CG 4.46Å; A281-L291 HydrophobicContact CB-CD1 3.61Å; V282-L291 HydrophobicContact CG2-CD1 3.77Å; L285-L291 HydrophobicContact CD1-CB 4.24Å; L285-L291 HydrophobicContact CD2-CB 4.3Å; L291-V293 HydrophobicContact CD2-CG2 3.65Å; L291-S324 PolarHBondContact N-O 2.98Å; L291-V325 HydrophobicContact CB-CG2 4.3Å; L291-V325 HydrophobicContact CD2-CG1 4.31Å; L291-V325 CarbonylContact O-C 3.42Å; L291-V325 WeakPolarHBondContact O-CA 3.47Å; L291-R326 PolarHBondContact O-N 3.34Å
292	I	98.9	Very high	97.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.7	174.2	-46.3	171.2	0	0	0	108.2	A188 M189 L192 V268 V269 E271 I294 R326 F328	A188-I292 HydrophobicContact CB-CG2 4.42Å; M189-I292 HydrophobicContact SD-CD1 4.28Å; L192-I292 HydrophobicContact CB-CD1 4.05Å; L192-I292 HydrophobicContact CB-CG1 4.19Å; L192-I292 HydrophobicContact CB-CG2 4.38Å; L192-I292 HydrophobicContact CD1-CG2 4.1Å; V268-I292 HydrophobicContact CG1-CD1 4.3Å; V269-I292 PolarHBondContact O-N 3.37Å; E271-I292 WeakPolarHBondContact CB-O 3.37Å; E271-I292 PolarHBondContact N-O 2.88Å; I292-I294 HydrophobicContact CB-CD1 4.39Å; I292-I294 HydrophobicContact CG2-CD1 3.62Å; I292-I294 HydrophobicContact CG2-CG1 4.23Å; I292-I294 PolarHBondContact O-N 3.07Å; I292-R326 CarbonylContact C-O 3.56Å; I292-R326 VanDerWaalsContact CA-O 3.31Å; I292-R326 WeakPolarHBondContact CA-O 3.41Å; I292-F328 HydrophobicContact CG2-CB 3.98Å
293	V	98.8	Very high	97.7	Very high	30 Å²	30	44.6 Å²	44.6	18%	0.182	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	103.5	173	-176	0	0	0	0	107.7	F278 L291 F296 V325 R326 F328	F278-V293 HydrophobicContact CD2-CG2 4.46Å; F278-V293 HydrophobicContact CE2-CG2 3.88Å; L291-V293 HydrophobicContact CD2-CG2 3.65Å; V293-F296 HydrophobicContact CG1-CD1 4.13Å; V293-F296 HydrophobicContact CG1-CE1 4.46Å; V293-V325 HydrophobicContact CG2-CG1 3.65Å; V293-R326 PolarHBondContact N-O 3.35Å; V293-F328 PolarHBondContact O-N 3.41Å
294	I	98.8	Very high	97.7	Very high	32 Å²	32	44.9 Å²	44.9	16%	0.164	25%	0.251	C	S	.	.			trans	-92.3	-37.4	176.9	-57.6	-67.8	0	0	0	110	T184 A188 Y270 E271 I292 F328	T184-I294 HydrophobicContact CG2-CG2 3.93Å; A188-I294 HydrophobicContact CB-CD1 3.62Å; Y270-I294 HydrophobicContact CD1-CG1 3.91Å; Y270-I294 HydrophobicContact CD2-CD1 3.83Å; Y270-I294 HydrophobicContact CD2-CG1 3.75Å; Y270-I294 HydrophobicContact CE1-CB 4.13Å; Y270-I294 HydrophobicContact CE1-CD1 4.33Å; Y270-I294 HydrophobicContact CE1-CG1 3.66Å; Y270-I294 HydrophobicContact CE1-CG2 3.91Å; Y270-I294 HydrophobicContact CE2-CD1 3.32Å; Y270-I294 HydrophobicContact CE2-CG1 3.51Å; Y270-I294 HydrophobicContact CG-CG1 3.95Å; Y270-I294 VanDerWaalsContact CZ-CG1 3.46Å; Y270-I294 WeakPolarHBondContact OH-CG2 3.43Å; E271-I294 WeakPolarHBondContact O-CB 3.5Å; E271-I294 PolarHBondContact O-N 2.61Å; I292-I294 HydrophobicContact CB-CD1 4.39Å; I292-I294 HydrophobicContact CG2-CD1 3.62Å; I292-I294 HydrophobicContact CG2-CG1 4.23Å; I292-I294 PolarHBondContact O-N 3.07Å; I294-F328 HydrophobicContact CD1-CB 4.05Å; I294-F328 HydrophobicContact CD1-CD1 4.25Å; I294-F328 HydrophobicContact CD1-CG 4.37Å
295	G	97.9	Very high	97.6	Very high	7 Å²	7	44 Å²	44	7%	0.072	25%	0.247	C	C	.	.			trans	-174	178.9	-179.6	0	0	0	0	0	111.2	E271 S272 Y300	E271-G295 PolarHBondContact O-N 2.9Å; S272-G295 CarbonylContact C-O 3.53Å; S272-G295 VanDerWaalsContact CA-O 3.25Å; S272-G295 WeakPolarHBondContact CA-O 3.43Å; S272-G295 CarbonylContact O-C 3.54Å; G295-Y300 WeakPolarHBondContact CA-OH 3.4Å
296	F	97.8	Very high	97.4	Very high	72 Å²	72	48.1 Å²	48.1	32%	0.316	27%	0.272	S	S	.	.			trans	-148.5	59.7	-179.1	36.5	-95.2	0	0	0	110.3	S272 I273 V293 S298 G299 Y300 P307	S272-F296 PolarHBondContact O-N 2.9Å; I273-F296 CarbonylContact O-C 3.43Å; I273-F296 WeakPolarHBondContact O-CA 3.4Å; V293-F296 HydrophobicContact CG1-CD1 4.13Å; V293-F296 HydrophobicContact CG1-CE1 4.46Å; F296-S298 PolarHBondContact O-N 2.77Å; F296-G299 PolarHBondContact O-N 2.85Å; F296-Y300 HydrophobicContact CD2-CD1 4Å; F296-Y300 AromaticContact CD2-CE1 3.33Å; F296-Y300 HydrophobicContact CD2-CE1 3.33Å; F296-Y300 HydrophobicContact CE2-CD1 4.24Å; F296-Y300 AromaticContact CE2-CE1 3.5Å; F296-Y300 HydrophobicContact CE2-CE1 3.5Å; F296-Y300 HydrophobicContact CG-CE1 4.1Å; F296-Y300 HydrophobicContact CZ-CE1 4.35Å; F296-Y300 PolarHBondContact N-OH 2.83Å; F296-Y300 VanDerWaalsContact N-OH 3.08Å; F296-P307 HydrophobicContact CB-CG 3.92Å; F296-P307 HydrophobicContact CD2-CG 4.47Å; F296-P307 HydrophobicContact CG-CG 4.49Å
297	I	98.1	Very high	97.1	Very high	41 Å²	41	48.8 Å²	48.8	21%	0.21	28%	0.276	C	S	.	.	H	α-helix	trans	-55.5	-27.9	-169.7	-165.2	174.7	0	0	0	113.9	A101 S272 I273 G299 Y300 Y382	A101-I297 HydrophobicContact CB-CD1 3.57Å; A101-I297 HydrophobicContact CB-CG1 4Å; S272-I297 PolarHBondContact O-N 3.46Å; S272-I297 VanDerWaalsContact O-N 3.12Å; I273-I297 HydrophobicContact CD1-CG2 3.77Å; I273-I297 PolarHBondContact O-N 2.88Å; I297-G299 PolarHBondContact O-N 2.98Å; I297-G299 VanDerWaalsContact O-N 3.12Å; I297-Y300 HydrophobicContact CB-CD2 4.14Å; I297-Y300 HydrophobicContact CB-CE2 4.13Å; I297-Y300 HydrophobicContact CG1-CD2 3.94Å; I297-Y300 HydrophobicContact CG1-CE2 4.32Å; I297-Y300 PolarHBondContact O-N 3Å; I297-Y382 HydrophobicContact CD1-CE1 4.1Å; I297-Y382 HydrophobicContact CG1-CD1 4.45Å; I297-Y382 HydrophobicContact CG1-CE1 3.69Å
298	S	97.1	Very high	96.8	Very high	66 Å²	66	49.3 Å²	49.3	46%	0.462	28%	0.283	S	S	.	.	H	α-helix	trans	-61	-20.3	177.1	64.5	0	0	0	0	114.1	I273 F296	I273-S298 VanDerWaalsContact O-CB 3.26Å; I273-S298 WeakPolarHBondContact O-CB 3.1Å; I273-S298 PolarHBondContact O-N 3.11Å; I273-S298 VanDerWaalsContact O-N 3.09Å; I273-S298 PolarHBondContact O-OG 3.26Å; F296-S298 PolarHBondContact O-N 2.77Å
299	G	97.3	Very high	96.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-96.3	-18.2	177.8	0	0	0	0	0	114.8	F296 I297 Q301 T302 G305	F296-G299 PolarHBondContact O-N 2.85Å; I297-G299 PolarHBondContact O-N 2.98Å; I297-G299 VanDerWaalsContact O-N 3.12Å; G299-Q301 VanDerWaalsContact C-N 3.3Å; G299-Q301 PolarHBondContact O-N 3.1Å; G299-T302 WeakPolarHBondContact O-CB 3.45Å; G299-T302 WeakPolarHBondContact O-CG2 3.47Å; G299-T302 PolarHBondContact O-N 3.24Å; G299-T302 PolarHBondContact O-OG1 2.99Å; G299-G305 CarbonylContact O-C 3.52Å; G299-G305 VanDerWaalsContact O-C 3.31Å; G299-G305 VanDerWaalsContact O-CA 3.25Å; G299-G305 WeakPolarHBondContact O-CA 3.28Å
300	Y	98.1	Very high	95.9	Very high	21 Å²	21	52.4 Å²	52.4	8%	0.082	30%	0.302	C	S	.	.	H	α-helix	trans	-64.9	-30.3	-165.9	-63.5	-20.1	0	0	0	113.9	Q69 A101 N105 R110 G295 F296 I297 T302 Y382	Q69-Y300 WeakPolarHBondContact CB-O 3.22Å; A101-Y300 HydrophobicContact CB-CD2 4.34Å; A101-Y300 HydrophobicContact CB-CE2 4.13Å; N105-Y300 WeakPolarHBondContact ND2-CD1 3.47Å; N105-Y300 WeakPolarHBondContact ND2-CD2 3.23Å; N105-Y300 WeakPolarHBondContact ND2-CE1 3.38Å; N105-Y300 WeakPolarHBondContact ND2-CE2 3.49Å; N105-Y300 VanDerWaalsContact ND2-CG 3.34Å; N105-Y300 WeakPolarHBondContact OD1-CD1 3.34Å; R110-Y300 PolarHBondContact NH1-O 2.93Å; G295-Y300 WeakPolarHBondContact CA-OH 3.4Å; F296-Y300 HydrophobicContact CD2-CD1 4Å; F296-Y300 AromaticContact CD2-CE1 3.33Å; F296-Y300 HydrophobicContact CD2-CE1 3.33Å; F296-Y300 HydrophobicContact CE2-CD1 4.24Å; F296-Y300 AromaticContact CE2-CE1 3.5Å; F296-Y300 HydrophobicContact CE2-CE1 3.5Å; F296-Y300 HydrophobicContact CG-CE1 4.1Å; F296-Y300 HydrophobicContact CZ-CE1 4.35Å; F296-Y300 PolarHBondContact N-OH 2.83Å; F296-Y300 VanDerWaalsContact N-OH 3.08Å; I297-Y300 HydrophobicContact CB-CD2 4.14Å; I297-Y300 HydrophobicContact CB-CE2 4.13Å; I297-Y300 HydrophobicContact CG1-CD2 3.94Å; I297-Y300 HydrophobicContact CG1-CE2 4.32Å; I297-Y300 PolarHBondContact O-N 3Å; Y300-T302 VanDerWaalsContact C-N 3.31Å; Y300-T302 PolarHBondContact O-N 2.9Å; Y300-Y382 WeakPolarHBondContact CB-OH 3.35Å; Y300-Y382 WeakPolarHBondContact CD2-OH 3.31Å
301	Q	97.3	Very high	94.9	Very high	113 Å²	113	52.8 Å²	52.8	53%	0.528	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-8	177.4	-67.2	179.2	-57.3	0	0	113.7	Q69 I104 G299 Y382	Q69-Q301 VanDerWaalsContact CG-O 3.28Å; Q69-Q301 WeakPolarHBondContact CG-O 3.36Å; Q69-Q301 PolarHBondContact NE2-O 2.95Å; I104-Q301 HydrophobicContact CD1-CB 4.48Å; I104-Q301 HydrophobicContact CD1-CG 3.63Å; G299-Q301 VanDerWaalsContact C-N 3.3Å; G299-Q301 PolarHBondContact O-N 3.1Å; Q301-Y382 HydrophobicContact CG-CD1 3.78Å; Q301-Y382 HydrophobicContact CG-CE1 3.73Å; Q301-Y382 HydrophobicContact CG-CG 4.5Å
302	T	96.8	Very high	94.5	Very high	56 Å²	56	56.8 Å²	56.8	34%	0.344	35%	0.354	S	S	.	.	S	Bend	trans	-76.9	162.1	173.8	79	0	0	0	0	110.6	R110 G299 Y300 S304 G305	R110-T302 PolarHBondContact NH2-O 3.34Å; G299-T302 WeakPolarHBondContact O-CB 3.45Å; G299-T302 WeakPolarHBondContact O-CG2 3.47Å; G299-T302 PolarHBondContact O-N 3.24Å; G299-T302 PolarHBondContact O-OG1 2.99Å; Y300-T302 VanDerWaalsContact C-N 3.31Å; Y300-T302 PolarHBondContact O-N 2.9Å; T302-S304 VanDerWaalsContact C-N 3.32Å; T302-S304 PolarHBondContact O-N 2.89Å; T302-S304 PolarHBondContact OG1-OG 2.73Å; T302-G305 PolarHBondContact O-N 3.23Å; T302-G305 PolarHBondContact OG1-N 3.06Å; T302-G305 VanDerWaalsContact OG1-N 3.13Å
303	A	93	Very high	94.2	Very high	88 Å²	88	60.1 Å²	60.1	73%	0.727	38%	0.375	S	S	*	.	S	Bend	trans	-58.1	-42.9	177.2	0	0	0	0	0	112.4	R110	R110-A303 PolarHBondContact NH2-O 3.17Å
304	S	93.7	Very high	94.1	Very high	81 Å²	81	60.7 Å²	60.7	57%	0.566	38%	0.377	S	S	*	.	S	Bend	trans	-73.1	-26.7	178.7	62.6	0	0	0	0	113.3	T302 V306	T302-S304 VanDerWaalsContact C-N 3.32Å; T302-S304 PolarHBondContact O-N 2.89Å; T302-S304 PolarHBondContact OG1-OG 2.73Å; S304-V306 PolarHBondContact O-N 2.8Å; S304-V306 PolarHBondContact OG-N 3.24Å; S304-V306 PolarHBondContact OG-O 3.09Å; S304-V306 VanDerWaalsContact OG-O 3.1Å
305	G	95.1	Very high	94.1	Very high	3 Å²	3	63.5 Å²	63.5	3%	0.031	40%	0.397	C	S	.	.	S	Bend	trans	75.7	1.7	-171.6	0	0	0	0	0	114.2	R110 G299 T302	R110-G305 VanDerWaalsContact NH1-CA 3.29Å; G299-G305 CarbonylContact O-C 3.52Å; G299-G305 VanDerWaalsContact O-C 3.31Å; G299-G305 VanDerWaalsContact O-CA 3.25Å; G299-G305 WeakPolarHBondContact O-CA 3.28Å; T302-G305 PolarHBondContact O-N 3.23Å; T302-G305 PolarHBondContact OG1-N 3.06Å; T302-G305 VanDerWaalsContact OG1-N 3.13Å
306	V	93.9	Very high	94	Very high	89 Å²	89	67.1 Å²	67.1	54%	0.539	42%	0.417	S	S	.	.			trans	-121.9	124.4	-174.4	-177.7	0	0	0	0	108.5	S304	S304-V306 PolarHBondContact O-N 2.8Å; S304-V306 PolarHBondContact OG-N 3.24Å; S304-V306 PolarHBondContact OG-O 3.09Å; S304-V306 VanDerWaalsContact OG-O 3.1Å
307	P	93.5	Very high	94	Very high	20 Å²	20	66.2 Å²	66.2	13%	0.13	41%	0.414	C	S	.	.			trans	-76.1	152.4	176.9	32.6	-33.6	0	0	0	111	F296 V309	F296-P307 HydrophobicContact CB-CG 3.92Å; F296-P307 HydrophobicContact CD2-CG 4.47Å; F296-P307 HydrophobicContact CG-CG 4.49Å; P307-V309 PolarHBondContact O-N 3.28Å
308	T	92.2	Very high	94	Very high	131 Å²	131	65.9 Å²	65.9	80%	0.804	41%	0.412	S	S	*	.			trans	-68.8	129	172.6	-51.8	0	0	0	0	110.6	G275	G275-T308 WeakPolarHBondContact CA-O 3.25Å
309	V	90.7	Very high	94.1	Very high	64 Å²	64	69.2 Å²	69.2	39%	0.388	42%	0.424	S	S	.	.			trans	-121.8	146.9	174.4	-65.5	0	0	0	0	110.5	F278 P307 G311	F278-V309 HydrophobicContact CD1-CB 4.37Å; F278-V309 HydrophobicContact CD1-CG1 3.96Å; F278-V309 HydrophobicContact CG-CG1 4.48Å; P307-V309 PolarHBondContact O-N 3.28Å; V309-G311 PolarHBondContact O-N 3.39Å
310	K	87.2	Confident	94.1	Very high	163 Å²	163	75.9 Å²	75.9	71%	0.709	46%	0.455	S	S	*	.			trans	-82.4	60.7	176.3	-68.1	-178.9	179.1	-175.7	0	110.9	D279 G312	D279-K310 PolarHBondContact OD1-N 3.33Å; D279-K310 WeakPolarHBondContact OD2-CB 3.34Å; D279-K310 WeakPolarHBondContact OD2-CG 3.2Å; D279-K310 PolarHBondContact OD2-N 2.96Å; D279-K310 VanDerWaalsContact OD2-N 3.08Å; K310-G312 PolarHBondContact O-N 3.39Å
311	G	78.8	Confident	94.1	Very high	32 Å²	32	77.8 Å²	77.8	33%	0.33	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-73.6	-16.5	-170.1	0	0	0	0	0	116.3	V309 T313 L314	V309-G311 PolarHBondContact O-N 3.39Å; G311-T313 PolarHBondContact O-N 2.79Å; G311-L314 VanDerWaalsContact O-CB 3.23Å; G311-L314 WeakPolarHBondContact O-CB 3.46Å; G311-L314 PolarHBondContact O-N 3.21Å
312	G	89.9	Confident	94.2	Very high	83 Å²	83	76.7 Å²	76.7	86%	0.856	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-59.8	-20.7	-173.1	0	0	0	0	0	115.5	K310	K310-G312 PolarHBondContact O-N 3.39Å
313	T	93.1	Very high	94.3	Very high	71 Å²	71	74.8 Å²	74.8	44%	0.436	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-109.6	4.9	176.9	54.4	0	0	0	0	113.4	G311 V316 K317	G311-T313 PolarHBondContact O-N 2.79Å; T313-V316 PolarHBondContact O-N 3Å; T313-K317 WeakPolarHBondContact O-CG 3.39Å; T313-K317 PolarHBondContact O-N 3.2Å; T313-K317 VanDerWaalsContact O-N 3.08Å; T313-K317 VanDerWaalsContact OG1-CE 3.24Å; T313-K317 WeakPolarHBondContact OG1-CE 3.24Å; T313-K317 PolarHBondContact OG1-NZ 3.35Å
314	L	96.3	Very high	94.6	Very high	41 Å²	41	72 Å²	72	22%	0.215	43%	0.434	C	S	.	.	H	α-helix	trans	-58.4	-46.6	-176.1	-179.2	64.5	0	0	0	112.7	V282 G311 V316 K317 L318 V325	V282-L314 HydrophobicContact CB-CD1 4.41Å; V282-L314 HydrophobicContact CG1-CD1 3.58Å; V282-L314 HydrophobicContact CG2-CD1 3.92Å; G311-L314 VanDerWaalsContact O-CB 3.23Å; G311-L314 WeakPolarHBondContact O-CB 3.46Å; G311-L314 PolarHBondContact O-N 3.21Å; L314-V316 VanDerWaalsContact C-N 3.29Å; L314-V316 PolarHBondContact O-N 3.49Å; L314-K317 PolarHBondContact O-N 3.24Å; L314-L318 HydrophobicContact CD1-CD1 3.98Å; L314-L318 HydrophobicContact CD1-CD2 4.23Å; L314-L318 HydrophobicContact CD1-CG 3.9Å; L314-L318 HydrophobicContact CG-CD1 3.94Å; L314-L318 HydrophobicContact CG-CG 4.25Å; L314-L318 WeakPolarHBondContact O-CG 3.42Å; L314-L318 PolarHBondContact O-N 3.2Å; L314-V325 HydrophobicContact CD1-CG2 4.37Å
315	P	97.8	Very high	94.8	Very high	92 Å²	92	70.6 Å²	70.6	60%	0.597	42%	0.422	S	S	*	.	H	α-helix	trans	-58.4	-40.2	178.6	-25.4	35.7	0	0	0	113	L319	P315-L319 VanDerWaalsContact O-CB 3.23Å; P315-L319 WeakPolarHBondContact O-CB 3.45Å; P315-L319 PolarHBondContact O-N 3.13Å
316	V	97.2	Very high	95	Very high	82 Å²	82	73.8 Å²	73.8	50%	0.497	43%	0.433	S	S	.	.	H	α-helix	trans	-65.1	-46.5	178.9	179.4	0	0	0	0	110.8	T313 L314 L318 L319 Q320	T313-V316 PolarHBondContact O-N 3Å; L314-V316 VanDerWaalsContact C-N 3.29Å; L314-V316 PolarHBondContact O-N 3.49Å; V316-L318 PolarHBondContact O-N 3.1Å; V316-L319 PolarHBondContact O-N 2.76Å; V316-Q320 HydrophobicContact CG1-CG 4.39Å; V316-Q320 WeakPolarHBondContact O-CB 3.46Å; V316-Q320 VanDerWaalsContact O-CG 3.29Å; V316-Q320 WeakPolarHBondContact O-CG 3.01Å; V316-Q320 PolarHBondContact O-N 3.36Å
317	K	97.1	Very high	95.2	Very high	54 Å²	54	72.5 Å²	72.5	24%	0.235	44%	0.438	C	S	.	.	H	α-helix	trans	-62.7	-42.7	179.5	-69	174.5	-177.8	178.3	0	112.3	V282 N283 T313 L314 K321	V282-K317 HydrophobicContact CG1-CB 4.28Å; V282-K317 HydrophobicContact CG1-CD 4Å; N283-K317 WeakPolarHBondContact OD1-CD 3.42Å; N283-K317 VanDerWaalsContact OD1-CE 3.23Å; N283-K317 WeakPolarHBondContact OD1-CE 3.5Å; N283-K317 PolarHBondContact OD1-NZ 2.96Å; T313-K317 WeakPolarHBondContact O-CG 3.39Å; T313-K317 PolarHBondContact O-N 3.2Å; T313-K317 VanDerWaalsContact O-N 3.08Å; T313-K317 VanDerWaalsContact OG1-CE 3.24Å; T313-K317 WeakPolarHBondContact OG1-CE 3.24Å; T313-K317 PolarHBondContact OG1-NZ 3.35Å; L314-K317 PolarHBondContact O-N 3.24Å; K317-K321 PolarHBondContact O-N 3.43Å
318	L	98.4	Very high	95.4	Very high	33 Å²	33	72.3 Å²	72.3	17%	0.173	44%	0.435	C	S	.	.	H	α-helix	trans	-66.9	-44.9	178	-65	-179.6	0	0	0	111.2	L285 L314 V316 Q320 K321 S322 A323 V325	L285-L318 HydrophobicContact CD1-CD2 4.41Å; L314-L318 HydrophobicContact CD1-CD1 3.98Å; L314-L318 HydrophobicContact CD1-CD2 4.23Å; L314-L318 HydrophobicContact CD1-CG 3.9Å; L314-L318 HydrophobicContact CG-CD1 3.94Å; L314-L318 HydrophobicContact CG-CG 4.25Å; L314-L318 WeakPolarHBondContact O-CG 3.42Å; L314-L318 PolarHBondContact O-N 3.2Å; V316-L318 PolarHBondContact O-N 3.1Å; L318-Q320 PolarHBondContact O-N 2.88Å; L318-K321 CarbonylContact O-C 3.19Å; L318-K321 PolarHBondContact O-N 3.17Å; L318-S322 CarbonylContact O-C 3.52Å; L318-S322 WeakPolarHBondContact O-CA 3.44Å; L318-S322 PolarHBondContact O-N 2.91Å; L318-A323 HydrophobicContact CD2-CB 4.02Å; L318-A323 PolarHBondContact O-N 2.85Å; L318-V325 HydrophobicContact CD1-CG2 4.14Å; L318-V325 HydrophobicContact CD2-CG2 4.04Å
319	L	98.5	Very high	95.7	Very high	136 Å²	136	70.3 Å²	70.3	71%	0.712	42%	0.415	S	S	*	.	H	α-helix	trans	-59.2	-48	177.5	-177.9	151.3	0	0	0	111.5	P315 V316 K321 S322	P315-L319 VanDerWaalsContact O-CB 3.23Å; P315-L319 WeakPolarHBondContact O-CB 3.45Å; P315-L319 PolarHBondContact O-N 3.13Å; V316-L319 PolarHBondContact O-N 2.76Å; L319-K321 PolarHBondContact O-N 3.4Å; L319-S322 PolarHBondContact O-N 2.94Å; L319-S322 VanDerWaalsContact O-N 3.16Å
320	Q	98.1	Very high	96.1	Very high	140 Å²	140	67.7 Å²	67.7	65%	0.654	40%	0.399	S	S	*	.	H	α-helix	trans	-60.8	-29.3	-179.2	-76.5	176.4	-26.9	0	0	113.5	V316 L318	V316-Q320 HydrophobicContact CG1-CG 4.39Å; V316-Q320 WeakPolarHBondContact O-CB 3.46Å; V316-Q320 VanDerWaalsContact O-CG 3.29Å; V316-Q320 WeakPolarHBondContact O-CG 3.01Å; V316-Q320 PolarHBondContact O-N 3.36Å; L318-Q320 PolarHBondContact O-N 2.88Å
321	K	98.5	Very high	96.5	Very high	61 Å²	61	62.4 Å²	62.4	27%	0.265	38%	0.381	S	S	.	.	H	α-helix	trans	-102.2	-2.4	-179.7	-64.2	-171.1	171.7	-160.9	0	113.3	N283 L285 N287 K288 K317 L318 L319 A323	N283-K321 PolarHBondContact O-NZ 2.81Å; L285-K321 HydrophobicContact CB-CD 4.39Å; L285-K321 VanDerWaalsContact O-CD 3.31Å; L285-K321 WeakPolarHBondContact O-CD 3.36Å; L285-K321 PolarHBondContact O-NZ 2.93Å; N287-K321 CarbonylContact C-O 3.58Å; N287-K321 WeakPolarHBondContact CA-O 3.35Å; K288-K321 PolarHBondContact N-O 3.11Å; K317-K321 PolarHBondContact O-N 3.43Å; L318-K321 CarbonylContact O-C 3.19Å; L318-K321 PolarHBondContact O-N 3.17Å; L319-K321 PolarHBondContact O-N 3.4Å; K321-A323 HydrophobicContact CB-CB 3.8Å; K321-A323 PolarHBondContact O-N 3.13Å; K321-A323 VanDerWaalsContact O-N 3.14Å
322	S	98.6	Very high	97.4	Very high	91 Å²	91	67.9 Å²	67.9	64%	0.636	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	33.3	-165.1	-56.8	0	0	0	0	112.5	K288 L318 L319	K288-S322 WeakPolarHBondContact CA-O 3.07Å; L318-S322 CarbonylContact O-C 3.52Å; L318-S322 WeakPolarHBondContact O-CA 3.44Å; L318-S322 PolarHBondContact O-N 2.91Å; L319-S322 PolarHBondContact O-N 2.94Å; L319-S322 VanDerWaalsContact O-N 3.16Å
323	A	98.7	Very high	97.8	Very high	15 Å²	15	66.1 Å²	66.1	12%	0.124	37%	0.367	C	S	.	.			trans	-92	170.4	-173.5	0	0	0	0	0	111.4	L285 G289 L318 K321	L285-A323 HydrophobicContact CB-CB 4.49Å; L285-A323 HydrophobicContact CD1-CB 4.02Å; G289-A323 CarbonylContact O-C 3.51Å; G289-A323 VanDerWaalsContact O-CA 3.27Å; G289-A323 WeakPolarHBondContact O-CA 3.34Å; G289-A323 VanDerWaalsContact O-CB 3.32Å; G289-A323 WeakPolarHBondContact O-CB 3.44Å; L318-A323 HydrophobicContact CD2-CB 4.02Å; L318-A323 PolarHBondContact O-N 2.85Å; K321-A323 HydrophobicContact CB-CB 3.8Å; K321-A323 PolarHBondContact O-N 3.13Å; K321-A323 VanDerWaalsContact O-N 3.14Å
324	S	98.7	Very high	97.9	Very high	31 Å²	31	67.4 Å²	67.4	22%	0.217	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	151.3	-179.8	61.1	0	0	0	0	113.4	G289 L291 R326	G289-S324 PolarHBondContact O-N 3.08Å; L291-S324 PolarHBondContact N-O 2.98Å; S324-R326 PolarHBondContact OG-NE 2.88Å
325	V	98.6	Very high	98	Very high	51 Å²	51	70.5 Å²	70.5	31%	0.309	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.6	166.1	172.9	0	0	0	0	107.1	F278 V282 L291 V293 L314 L318	F278-V325 HydrophobicContact CE2-CG1 4.06Å; F278-V325 HydrophobicContact CZ-CG1 4.14Å; F278-V325 HydrophobicContact CZ-CG2 4.19Å; V282-V325 HydrophobicContact CG2-CG2 4.44Å; L291-V325 HydrophobicContact CB-CG2 4.3Å; L291-V325 HydrophobicContact CD2-CG1 4.31Å; L291-V325 CarbonylContact O-C 3.42Å; L291-V325 WeakPolarHBondContact O-CA 3.47Å; V293-V325 HydrophobicContact CG2-CG1 3.65Å; L314-V325 HydrophobicContact CD1-CG2 4.37Å; L318-V325 HydrophobicContact CD1-CG2 4.14Å; L318-V325 HydrophobicContact CD2-CG2 4.04Å
326	R	98.6	Very high	98	Very high	69 Å²	69	66.9 Å²	66.9	26%	0.26	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	117.4	-170.4	-56.3	176.7	-176.6	-163.8	-9.7	109.2	L192 D194 L291 I292 V293 S324	L192-R326 HydrophobicContact CD1-CB 4.4Å; L192-R326 WeakPolarHBondContact O-CD 3.25Å; L192-R326 PolarHBondContact O-NH1 2.92Å; D194-R326 IonicContact OD2-CZ 2.68Å; D194-R326 IonicContact OD2-NH1 2.92Å; D194-R326 PolarHBondContact OD2-NH1 3.34Å; D194-R326 IonicContact OD2-NH2 3.37Å; L291-R326 PolarHBondContact O-N 3.34Å; I292-R326 CarbonylContact C-O 3.56Å; I292-R326 VanDerWaalsContact CA-O 3.31Å; I292-R326 WeakPolarHBondContact CA-O 3.41Å; V293-R326 PolarHBondContact N-O 3.35Å; S324-R326 PolarHBondContact OG-NE 2.88Å
327	G	98.6	Very high	98	Very high	63 Å²	63	64.5 Å²	64.5	65%	0.649	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	138.1	174	0	0	0	0	0	111.5
328	F	98.8	Very high	97.9	Very high	16 Å²	16	70.8 Å²	70.8	7%	0.07	38%	0.381	C	S	.	.			trans	-120.1	131.6	171.5	-177.7	-96.7	0	0	0	110.7	T184 I187 A188 L192 I292 V293 I294 L330 F333	T184-F328 HydrophobicContact CG2-CD1 3.98Å; T184-F328 HydrophobicContact CG2-CE1 3.75Å; I187-F328 HydrophobicContact CB-CE2 4.18Å; I187-F328 HydrophobicContact CB-CZ 3.98Å; I187-F328 HydrophobicContact CG2-CE2 3.77Å; I187-F328 HydrophobicContact CG2-CZ 3.98Å; A188-F328 HydrophobicContact CB-CB 4.31Å; A188-F328 HydrophobicContact CB-CD1 3.93Å; A188-F328 HydrophobicContact CB-CD2 3.72Å; A188-F328 HydrophobicContact CB-CE1 4.18Å; A188-F328 HydrophobicContact CB-CE2 3.97Å; A188-F328 HydrophobicContact CB-CG 3.69Å; A188-F328 HydrophobicContact CB-CZ 4.19Å; L192-F328 HydrophobicContact CD1-CB 3.85Å; L192-F328 HydrophobicContact CD1-CD2 3.76Å; L192-F328 HydrophobicContact CD1-CG 4.28Å; I292-F328 HydrophobicContact CG2-CB 3.98Å; V293-F328 PolarHBondContact O-N 3.41Å; I294-F328 HydrophobicContact CD1-CB 4.05Å; I294-F328 HydrophobicContact CD1-CD1 4.25Å; I294-F328 HydrophobicContact CD1-CG 4.37Å; F328-L330 HydrophobicContact CE1-CB 4.05Å; F328-L330 HydrophobicContact CE1-CD1 4.37Å; F328-L330 HydrophobicContact CZ-CB 4.42Å; F328-L330 HydrophobicContact CZ-CD1 4.1Å; F328-F333 AromaticContact CD2-CD2 3.9Å; F328-F333 HydrophobicContact CD2-CD2 3.9Å; F328-F333 AromaticContact CD2-CE2 3.72Å; F328-F333 HydrophobicContact CD2-CE2 3.72Å; F328-F333 HydrophobicContact CD2-CZ 4.3Å; F328-F333 HydrophobicContact CE2-CB 4.38Å; F328-F333 HydrophobicContact CE2-CD1 4.47Å; F328-F333 AromaticContact CE2-CD2 3.47Å; F328-F333 HydrophobicContact CE2-CD2 3.47Å; F328-F333 VanDerWaalsContact CE2-CD2 3.47Å; F328-F333 AromaticContact CE2-CE2 3.78Å; F328-F333 HydrophobicContact CE2-CE2 3.78Å; F328-F333 AromaticContact CE2-CG 3.87Å; F328-F333 HydrophobicContact CE2-CG 3.87Å; F328-F333 HydrophobicContact CE2-CZ 4.39Å; F328-F333 HydrophobicContact CZ-CD2 4.19Å
329	F	98.3	Very high	97.9	Very high	89 Å²	89	73.6 Å²	73.6	39%	0.39	39%	0.393	S	S	.	.			trans	-138.5	113	173.5	-174.4	-124.3	0	0	0	108.9	Y111 P331 H332	Y111-F329 HydrophobicContact CD1-CZ 4.48Å; Y111-F329 HydrophobicContact CE1-CE2 4.13Å; Y111-F329 HydrophobicContact CE1-CZ 4.14Å; F329-P331 VanDerWaalsContact C-CD 3.47Å; F329-P331 VanDerWaalsContact C-N 3.33Å; F329-P331 HydrophobicContact CD1-CB 4.07Å; F329-P331 HydrophobicContact CD1-CG 4.02Å; F329-P331 HydrophobicContact CE1-CB 3.74Å; F329-P331 HydrophobicContact CE1-CG 3.52Å; F329-P331 HydrophobicContact CE2-CG 4.16Å; F329-P331 HydrophobicContact CZ-CB 4.32Å; F329-P331 HydrophobicContact CZ-CG 3.6Å; F329-H332 AromaticContact CD1-CD2 3.89Å; F329-H332 AromaticContact CD1-CE1 3.77Å; F329-H332 AromaticContact CD1-NE2 3.68Å; F329-H332 WeakPolarHBondContact O-CB 3.23Å; F329-H332 PolarHBondContact O-N 2.84Å
330	L	97.9	Very high	97.8	Very high	9 Å²	9	67.1 Å²	67.1	5%	0.047	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-51.4	-41.9	-169.8	-179.5	65.2	0	0	0	114	F149 L180 A183 I187 F328 H332 F333 Y337	F149-L330 HydrophobicContact CD1-CD2 4.3Å; F149-L330 HydrophobicContact CE1-CD2 4Å; L180-L330 HydrophobicContact CD1-CD2 4.12Å; L180-L330 HydrophobicContact CG-CD2 4.4Å; A183-L330 HydrophobicContact CB-CD1 4.25Å; A183-L330 HydrophobicContact CB-CD2 4.49Å; I187-L330 HydrophobicContact CD1-CD1 3.8Å; F328-L330 HydrophobicContact CE1-CB 4.05Å; F328-L330 HydrophobicContact CE1-CD1 4.37Å; F328-L330 HydrophobicContact CZ-CB 4.42Å; F328-L330 HydrophobicContact CZ-CD1 4.1Å; L330-H332 PolarHBondContact O-N 2.87Å; L330-H332 VanDerWaalsContact O-N 3.1Å; L330-F333 PolarHBondContact O-N 3.43Å; L330-Y337 HydrophobicContact CD1-CD2 4.48Å
331	P	96	Very high	97.8	Very high	52 Å²	52	60.8 Å²	60.8	34%	0.338	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-57.6	-23.5	177	-29.7	38.8	0	0	0	115.5	F329 F333 L334	F329-P331 VanDerWaalsContact C-CD 3.47Å; F329-P331 VanDerWaalsContact C-N 3.33Å; F329-P331 HydrophobicContact CD1-CB 4.07Å; F329-P331 HydrophobicContact CD1-CG 4.02Å; F329-P331 HydrophobicContact CE1-CB 3.74Å; F329-P331 HydrophobicContact CE1-CG 3.52Å; F329-P331 HydrophobicContact CE2-CG 4.16Å; F329-P331 HydrophobicContact CZ-CB 4.32Å; F329-P331 HydrophobicContact CZ-CG 3.6Å; P331-F333 PolarHBondContact O-N 2.92Å; P331-L334 WeakPolarHBondContact O-CG 3.2Å
332	H	98.3	Very high	97.8	Very high	147 Å²	147	59.4 Å²	59.4	68%	0.681	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-76.8	-10.1	175.3	-62.4	165.2	0	0	0	113.5	F329 L330	F329-H332 AromaticContact CD1-CD2 3.89Å; F329-H332 AromaticContact CD1-CE1 3.77Å; F329-H332 AromaticContact CD1-NE2 3.68Å; F329-H332 WeakPolarHBondContact O-CB 3.23Å; F329-H332 PolarHBondContact O-N 2.84Å; L330-H332 PolarHBondContact O-N 2.87Å; L330-H332 VanDerWaalsContact O-N 3.1Å
333	F	98.1	Very high	97.8	Very high	46 Å²	46	56.4 Å²	56.4	20%	0.202	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-122	23.9	-175.3	-64.9	-94.5	0	0	0	112.9	I187 R191 F328 L330 P331 S335 D336	I187-F333 HydrophobicContact CG2-CB 3.74Å; I187-F333 HydrophobicContact CG2-CD1 4.08Å; I187-F333 HydrophobicContact CG2-CG 4.03Å; R191-F333 HydrophobicContact CB-CE1 4.23Å; R191-F333 HydrophobicContact CG-CD1 4.25Å; R191-F333 HydrophobicContact CG-CE1 4.28Å; F328-F333 AromaticContact CD2-CD2 3.9Å; F328-F333 HydrophobicContact CD2-CD2 3.9Å; F328-F333 AromaticContact CD2-CE2 3.72Å; F328-F333 HydrophobicContact CD2-CE2 3.72Å; F328-F333 HydrophobicContact CD2-CZ 4.3Å; F328-F333 HydrophobicContact CE2-CB 4.38Å; F328-F333 HydrophobicContact CE2-CD1 4.47Å; F328-F333 AromaticContact CE2-CD2 3.47Å; F328-F333 HydrophobicContact CE2-CD2 3.47Å; F328-F333 VanDerWaalsContact CE2-CD2 3.47Å; F328-F333 AromaticContact CE2-CE2 3.78Å; F328-F333 HydrophobicContact CE2-CE2 3.78Å; F328-F333 AromaticContact CE2-CG 3.87Å; F328-F333 HydrophobicContact CE2-CG 3.87Å; F328-F333 HydrophobicContact CE2-CZ 4.39Å; F328-F333 HydrophobicContact CZ-CD2 4.19Å; L330-F333 PolarHBondContact O-N 3.43Å; P331-F333 PolarHBondContact O-N 2.92Å; F333-S335 PolarHBondContact O-N 2.88Å; F333-S335 VanDerWaalsContact O-N 3.08Å; F333-D336 WeakPolarHBondContact O-CB 3.47Å; F333-D336 PolarHBondContact O-N 3.01Å
334	L	95.6	Very high	97.8	Very high	97 Å²	97	55.7 Å²	55.7	51%	0.508	31%	0.306	S	S	.	.	H	α-helix	trans	-60.7	-21.6	-178.3	-67.5	177.8	0	0	0	113.8	P331 D336 Y337	P331-L334 WeakPolarHBondContact O-CG 3.2Å; L334-D336 PolarHBondContact O-N 2.91Å; L334-Y337 VanDerWaalsContact O-CB 3.27Å; L334-Y337 WeakPolarHBondContact O-CB 3.25Å; L334-Y337 PolarHBondContact O-N 3.3Å
335	S	97.3	Very high	97.7	Very high	107 Å²	107	56.2 Å²	56.2	75%	0.748	31%	0.306	S	S	*	.	H	α-helix	trans	-61.8	-28	171.9	58	0	0	0	0	113.3	F333	F333-S335 PolarHBondContact O-N 2.88Å; F333-S335 VanDerWaalsContact O-N 3.08Å
336	D	97.8	Very high	97.7	Very high	16 Å²	16	59.5 Å²	59.5	9%	0.086	32%	0.318	C	S	.	.	H	α-helix	trans	-89.6	-12.8	-179.9	-62.3	-27.9	0	0	0	112.4	I187 R191 F333 L334 K338 E339 A340	I187-D336 HydrophobicContact CD1-CB 4.08Å; I187-D336 HydrophobicContact CG1-CB 4.17Å; I187-D336 HydrophobicContact CG2-CB 4.1Å; R191-D336 IonicContact CZ-OD1 2.79Å; R191-D336 IonicContact CZ-OD2 3.99Å; R191-D336 IonicContact NE-OD1 3.94Å; R191-D336 IonicContact NE-OD2 2.69Å; R191-D336 PolarHBondContact NE-OD2 3.4Å; R191-D336 IonicContact NH2-OD1 3.7Å; R191-D336 PolarHBondContact NH2-OD1 3.18Å; R191-D336 IonicContact NH2-OD2 2.83Å; R191-D336 PolarHBondContact NH2-OD2 3.05Å; F333-D336 WeakPolarHBondContact O-CB 3.47Å; F333-D336 PolarHBondContact O-N 3.01Å; L334-D336 PolarHBondContact O-N 2.91Å; D336-K338 PolarHBondContact O-N 2.89Å; D336-E339 PolarHBondContact O-N 3.02Å; D336-A340 PolarHBondContact O-N 3.17Å
337	Y	97.1	Very high	97.7	Very high	32 Å²	32	58.5 Å²	58.5	13%	0.125	32%	0.317	C	S	.	.	H	α-helix	trans	-61	-43.2	-170.3	-169.4	-95.7	0	0	0	112.7	V166 L179 A183 L330 L334 E339 A340 M341	V166-Y337 HydrophobicContact CG2-CE1 4.02Å; L179-Y337 WeakPolarHBondContact CA-OH 3.35Å; L179-Y337 VanDerWaalsContact O-CE2 3.29Å; L179-Y337 WeakPolarHBondContact O-CE2 3.22Å; L179-Y337 PolarHBondContact O-OH 3.19Å; A183-Y337 HydrophobicContact CB-CD2 3.91Å; A183-Y337 HydrophobicContact CB-CE2 3.61Å; L330-Y337 HydrophobicContact CD1-CD2 4.48Å; L334-Y337 VanDerWaalsContact O-CB 3.27Å; L334-Y337 WeakPolarHBondContact O-CB 3.25Å; L334-Y337 PolarHBondContact O-N 3.3Å; Y337-E339 VanDerWaalsContact C-N 3.35Å; Y337-E339 PolarHBondContact O-N 2.81Å; Y337-A340 PolarHBondContact O-N 3.23Å; Y337-M341 HydrophobicContact CD1-CG 3.86Å; Y337-M341 HydrophobicContact CE1-CG 3.51Å; Y337-M341 HydrophobicContact CE1-SD 4.27Å; Y337-M341 HydrophobicContact CE2-CG 4.44Å; Y337-M341 HydrophobicContact CG-CG 4.46Å; Y337-M341 WeakPolarHBondContact O-CB 3.26Å; Y337-M341 WeakPolarHBondContact O-CG 3.29Å; Y337-M341 PolarHBondContact O-N 2.85Å
338	K	95.9	Very high	97.7	Very high	185 Å²	185	57.9 Å²	57.9	80%	0.804	30%	0.296	S	S	*	.	H	α-helix	trans	-62.1	-42.3	179.5	-175.6	178.8	178.3	-178.4	0	112	D336 G342	D336-K338 PolarHBondContact O-N 2.89Å; K338-G342 PolarHBondContact O-N 2.78Å; K338-G342 VanDerWaalsContact O-N 3.08Å
339	E	97.3	Very high	97.6	Very high	93 Å²	93	61.3 Å²	61.3	44%	0.435	33%	0.327	S	S	.	.	H	α-helix	trans	-66.7	-44.9	177.6	-170.1	-159.5	176.4	0	0	111	K190 D336 Y337 G342 S343	K190-E339 IonicContact NZ-OE1 3.81Å; K190-E339 PolarHBondContact NZ-OE1 3.41Å; K190-E339 IonicContact NZ-OE2 2.76Å; K190-E339 PolarHBondContact NZ-OE2 2.93Å; D336-E339 PolarHBondContact O-N 3.02Å; Y337-E339 VanDerWaalsContact C-N 3.35Å; Y337-E339 PolarHBondContact O-N 2.81Å; E339-G342 PolarHBondContact O-N 2.75Å; E339-S343 WeakPolarHBondContact O-CB 3.27Å; E339-S343 PolarHBondContact O-N 2.91Å; E339-S343 PolarHBondContact O-OG 2.87Å
340	A	98	Very high	97.6	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-58.4	-51.2	178.1	0	0	0	0	0	111.1	Y186 I187 D336 Y337 G342 S343 M344	Y186-A340 HydrophobicContact CD1-CB 3.46Å; Y186-A340 VanDerWaalsContact CD1-CB 3.46Å; Y186-A340 HydrophobicContact CE1-CB 3.96Å; Y186-A340 HydrophobicContact CG-CB 4.12Å; I187-A340 HydrophobicContact CD1-CB 4.02Å; I187-A340 HydrophobicContact CG1-CB 3.76Å; D336-A340 PolarHBondContact O-N 3.17Å; Y337-A340 PolarHBondContact O-N 3.23Å; A340-G342 PolarHBondContact O-N 2.85Å; A340-S343 PolarHBondContact O-N 2.79Å; A340-M344 HydrophobicContact CB-CE 4.26Å; A340-M344 WeakPolarHBondContact O-CB 3.37Å; A340-M344 WeakPolarHBondContact O-CE 3.44Å; A340-M344 VanDerWaalsContact O-CG 3.31Å; A340-M344 WeakPolarHBondContact O-CG 3.42Å; A340-M344 PolarHBondContact O-N 3.04Å
341	M	97.9	Very high	97.6	Very high	6 Å²	6	66.6 Å²	66.6	3%	0.03	37%	0.369	C	S	.	.	H	α-helix	trans	-60	-47.2	178.7	-71.4	-53.4	-57.8	0	0	112.1	V166 L178 L179 Y337 S343 M344 M345	V166-M341 HydrophobicContact CG1-CE 4.29Å; L178-M341 HydrophobicContact CB-CE 3.81Å; L178-M341 HydrophobicContact CB-SD 4.31Å; L179-M341 HydrophobicContact CD2-CE 3.84Å; L179-M341 HydrophobicContact CD2-SD 4.47Å; Y337-M341 HydrophobicContact CD1-CG 3.86Å; Y337-M341 HydrophobicContact CE1-CG 3.51Å; Y337-M341 HydrophobicContact CE1-SD 4.27Å; Y337-M341 HydrophobicContact CE2-CG 4.44Å; Y337-M341 HydrophobicContact CG-CG 4.46Å; Y337-M341 WeakPolarHBondContact O-CB 3.26Å; Y337-M341 WeakPolarHBondContact O-CG 3.29Å; Y337-M341 PolarHBondContact O-N 2.85Å; M341-S343 VanDerWaalsContact C-N 3.33Å; M341-S343 PolarHBondContact O-N 3.23Å; M341-M344 PolarHBondContact O-N 3.24Å; M341-M344 HydrophobicContact SD-CE 3.65Å; M341-M345 HydrophobicContact CE-CE 3.77Å; M341-M345 WeakPolarHBondContact O-CB 3.35Å; M341-M345 VanDerWaalsContact O-CG 3.29Å; M341-M345 WeakPolarHBondContact O-CG 3.4Å; M341-M345 PolarHBondContact O-N 3.26Å
342	G	97.6	Very high	97.7	Very high	33 Å²	33	70.9 Å²	70.9	34%	0.34	38%	0.382	S	S	.	.	H	α-helix	trans	-59.5	-43.1	178.1	0	0	0	0	0	112.6	K338 E339 A340 Q346	K338-G342 PolarHBondContact O-N 2.78Å; K338-G342 VanDerWaalsContact O-N 3.08Å; E339-G342 PolarHBondContact O-N 2.75Å; A340-G342 PolarHBondContact O-N 2.85Å; G342-Q346 WeakPolarHBondContact O-CG 3.3Å; G342-Q346 PolarHBondContact O-N 3.39Å
343	S	98.3	Very high	97.7	Very high	28 Å²	28	64.1 Å²	64.1	20%	0.196	35%	0.351	C	S	.	.	H	α-helix	trans	-65.7	-48.7	178.2	-61	0	0	0	0	111.9	Y186 E339 A340 M341 Q346 M347	Y186-S343 PolarHBondContact OH-OG 3.38Å; E339-S343 WeakPolarHBondContact O-CB 3.27Å; E339-S343 PolarHBondContact O-N 2.91Å; E339-S343 PolarHBondContact O-OG 2.87Å; A340-S343 PolarHBondContact O-N 2.79Å; M341-S343 VanDerWaalsContact C-N 3.33Å; M341-S343 PolarHBondContact O-N 3.23Å; S343-Q346 PolarHBondContact O-N 3.2Å; S343-M347 VanDerWaalsContact O-CG 3.31Å; S343-M347 WeakPolarHBondContact O-CG 3.49Å; S343-M347 PolarHBondContact O-N 2.92Å
344	M	98.5	Very high	97.7	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-65	-41.8	-178.8	-69.7	-174.3	-64.8	0	0	112.2	L178 A183 Y186 F217 A340 M341 Q346 M347 F348 L353	L178-M344 HydrophobicContact CB-CE 4.35Å; L178-M344 HydrophobicContact CD1-CB 4.28Å; L178-M344 HydrophobicContact CD2-CB 4.16Å; L178-M344 HydrophobicContact CD2-SD 4.34Å; L178-M344 WeakPolarHBondContact O-CE 3.22Å; A183-M344 HydrophobicContact CB-CE 4.16Å; Y186-M344 HydrophobicContact CD2-CG 3.97Å; Y186-M344 HydrophobicContact CG-CG 4.39Å; Y186-M344 HydrophobicContact CG-SD 4.45Å; F217-M344 HydrophobicContact CE1-CG 4.45Å; F217-M344 HydrophobicContact CE2-SD 4.37Å; F217-M344 HydrophobicContact CZ-CG 3.9Å; F217-M344 HydrophobicContact CZ-SD 3.83Å; A340-M344 HydrophobicContact CB-CE 4.26Å; A340-M344 WeakPolarHBondContact O-CB 3.37Å; A340-M344 WeakPolarHBondContact O-CE 3.44Å; A340-M344 VanDerWaalsContact O-CG 3.31Å; A340-M344 WeakPolarHBondContact O-CG 3.42Å; A340-M344 PolarHBondContact O-N 3.04Å; M341-M344 PolarHBondContact O-N 3.24Å; M341-M344 HydrophobicContact SD-CE 3.65Å; M344-Q346 VanDerWaalsContact C-N 3.3Å; M344-Q346 PolarHBondContact O-N 2.78Å; M344-M347 PolarHBondContact O-N 2.76Å; M344-F348 WeakPolarHBondContact O-CB 3.46Å; M344-F348 PolarHBondContact O-N 2.95Å; M344-L353 HydrophobicContact CB-CD2 4.15Å; M344-L353 HydrophobicContact CG-CD2 4.33Å
345	M	97.8	Very high	97.9	Very high	41 Å²	41	60.6 Å²	60.6	20%	0.202	34%	0.338	C	S	.	.	H	α-helix	trans	-59.8	-41.5	174.9	-75.3	-174.5	178.5	0	0	111.9	V166 V168 L178 M341 A349	V166-M345 HydrophobicContact CG1-CE 3.4Å; V166-M345 VanDerWaalsContact CG1-CE 3.4Å; V168-M345 HydrophobicContact CG1-CE 3.68Å; L178-M345 HydrophobicContact CD1-CG 4.22Å; M341-M345 HydrophobicContact CE-CE 3.77Å; M341-M345 WeakPolarHBondContact O-CB 3.35Å; M341-M345 VanDerWaalsContact O-CG 3.29Å; M341-M345 WeakPolarHBondContact O-CG 3.4Å; M341-M345 PolarHBondContact O-N 3.26Å; M345-A349 VanDerWaalsContact O-CB 3.27Å; M345-A349 WeakPolarHBondContact O-CB 3.16Å; M345-A349 PolarHBondContact O-N 3.32Å
346	Q	98.1	Very high	97.9	Very high	121 Å²	121	59 Å²	59	57%	0.565	32%	0.318	S	S	*	.	H	α-helix	trans	-66.2	-39.3	175.1	-74.1	-177.4	16.6	0	0	112.5	G342 S343 M344 K350	G342-Q346 WeakPolarHBondContact O-CG 3.3Å; G342-Q346 PolarHBondContact O-N 3.39Å; S343-Q346 PolarHBondContact O-N 3.2Å; M344-Q346 VanDerWaalsContact C-N 3.3Å; M344-Q346 PolarHBondContact O-N 2.78Å; Q346-K350 WeakPolarHBondContact O-CB 3.37Å; Q346-K350 VanDerWaalsContact O-CG 3.25Å; Q346-K350 WeakPolarHBondContact O-CG 3.38Å; Q346-K350 PolarHBondContact O-N 3.01Å; Q346-K350 VanDerWaalsContact O-N 3.13Å
347	M	98.5	Very high	98	Very high	48 Å²	48	59.6 Å²	59.6	24%	0.236	32%	0.322	C	S	.	.	H	α-helix	trans	-65.3	-45.4	176.7	-68.2	171.7	177.2	0	0	111.2	Y186 F217 S343 M344 K350 G351 K352 L353	Y186-M347 HydrophobicContact CE2-CE 4.46Å; F217-M347 HydrophobicContact CE1-SD 4.17Å; S343-M347 VanDerWaalsContact O-CG 3.31Å; S343-M347 WeakPolarHBondContact O-CG 3.49Å; S343-M347 PolarHBondContact O-N 2.92Å; M344-M347 PolarHBondContact O-N 2.76Å; M347-K350 CarbonylContact O-C 3.07Å; M347-K350 PolarHBondContact O-N 3.27Å; M347-G351 PolarHBondContact O-N 3.43Å; M347-K352 HydrophobicContact CB-CB 4.38Å; M347-K352 PolarHBondContact O-N 3.03Å; M347-L353 HydrophobicContact CB-CB 3.86Å
348	F	98.1	Very high	98.1	Very high	50 Å²	50	58.8 Å²	58.8	22%	0.219	32%	0.321	C	S	.	.	H	α-helix	trans	-60.8	-48.6	176.6	-179.6	-119.6	0	0	0	111.4	E174 F175 M344 K350 G351 L353 C355	E174-F348 HydrophobicContact CB-CE1 4.03Å; E174-F348 HydrophobicContact CB-CE2 3.99Å; E174-F348 HydrophobicContact CB-CZ 3.41Å; E174-F348 VanDerWaalsContact CB-CZ 3.41Å; E174-F348 HydrophobicContact CG-CE2 4.35Å; E174-F348 HydrophobicContact CG-CZ 3.92Å; F175-F348 HydrophobicContact CD1-CD1 4.15Å; F175-F348 HydrophobicContact CD1-CE1 4.16Å; F175-F348 AromaticContact CE1-CD1 3.63Å; F175-F348 HydrophobicContact CE1-CD1 3.63Å; F175-F348 AromaticContact CE1-CE1 3.66Å; F175-F348 HydrophobicContact CE1-CE1 3.66Å; F175-F348 HydrophobicContact CZ-CD1 4.24Å; F175-F348 AromaticContact CZ-CE1 3.86Å; F175-F348 HydrophobicContact CZ-CE1 3.86Å; M344-F348 WeakPolarHBondContact O-CB 3.46Å; M344-F348 PolarHBondContact O-N 2.95Å; F348-K350 PolarHBondContact O-N 3Å; F348-G351 PolarHBondContact O-N 3.1Å; F348-L353 WeakPolarHBondContact CD2-O 3.39Å; F348-C355 HydrophobicContact CD2-CB 4.12Å; F348-C355 WeakPolarHBondContact CD2-SG 3.35Å; F348-C355 HydrophobicContact CE2-CB 3.89Å
349	A	97.2	Very high	98.2	Very high	87 Å²	87	50.6 Å²	50.6	72%	0.719	29%	0.286	S	S	*	.	H	α-helix	trans	-60.2	-28.4	177.2	0	0	0	0	0	113.5	M345 G351	M345-A349 VanDerWaalsContact O-CB 3.27Å; M345-A349 WeakPolarHBondContact O-CB 3.16Å; M345-A349 PolarHBondContact O-N 3.32Å; A349-G351 VanDerWaalsContact C-N 3.34Å
350	K	97.9	Very high	98.1	Very high	141 Å²	141	46.1 Å²	46.1	61%	0.613	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	4.2	176.2	-69.5	173.3	-177	173.1	0	113.5	Q346 M347 F348 K352	Q346-K350 WeakPolarHBondContact O-CB 3.37Å; Q346-K350 VanDerWaalsContact O-CG 3.25Å; Q346-K350 WeakPolarHBondContact O-CG 3.38Å; Q346-K350 PolarHBondContact O-N 3.01Å; Q346-K350 VanDerWaalsContact O-N 3.13Å; M347-K350 CarbonylContact O-C 3.07Å; M347-K350 PolarHBondContact O-N 3.27Å; F348-K350 PolarHBondContact O-N 3Å; K350-K352 HydrophobicContact CB-CD 4.49Å; K350-K352 HydrophobicContact CB-CG 4.16Å; K350-K352 PolarHBondContact O-N 3.06Å
351	G	97.7	Very high	97.9	Very high	68 Å²	68	50.9 Å²	50.9	70%	0.701	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	20.4	-175.7	0	0	0	0	0	114.1	M347 F348 A349	M347-G351 PolarHBondContact O-N 3.43Å; F348-G351 PolarHBondContact O-N 3.1Å; A349-G351 VanDerWaalsContact C-N 3.34Å
352	K	98.2	Very high	97.6	Very high	143 Å²	143	58.1 Å²	58.1	62%	0.622	33%	0.326	S	S	*	.			trans	-94.5	-3.5	-180	-65.9	-169.4	176.1	-170.5	0	113.7	Q220 M347 K350	Q220-K352 PolarHBondContact NE2-O 2.62Å; M347-K352 HydrophobicContact CB-CB 4.38Å; M347-K352 PolarHBondContact O-N 3.03Å; K350-K352 HydrophobicContact CB-CD 4.49Å; K350-K352 HydrophobicContact CB-CG 4.16Å; K350-K352 PolarHBondContact O-N 3.06Å
353	L	98.8	Very high	97.5	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.021	31%	0.313	C	S	.	.	S	Bend	trans	-135	117.7	178.1	-167.4	68.9	0	0	0	108.2	L178 F213 Q216 F217 M344 M347 F348	L178-L353 HydrophobicContact CD2-CD2 3.89Å; F213-L353 HydrophobicContact CD1-CD1 4.01Å; F213-L353 HydrophobicContact CD1-CD2 4.18Å; F213-L353 HydrophobicContact CD1-CG 4.15Å; F213-L353 HydrophobicContact CE1-CD1 4.44Å; F213-L353 HydrophobicContact CE1-CD2 4.06Å; F213-L353 HydrophobicContact CE1-CG 4.09Å; Q216-L353 HydrophobicContact CB-CD1 4.13Å; F217-L353 HydrophobicContact CD1-CD1 4.36Å; F217-L353 HydrophobicContact CE1-CD1 3.62Å; F217-L353 HydrophobicContact CE1-CD2 4.35Å; F217-L353 HydrophobicContact CZ-CD1 4.08Å; F217-L353 HydrophobicContact CZ-CD2 4.33Å; M344-L353 HydrophobicContact CB-CD2 4.15Å; M344-L353 HydrophobicContact CG-CD2 4.33Å; M347-L353 HydrophobicContact CB-CB 3.86Å; F348-L353 WeakPolarHBondContact CD2-O 3.39Å
354	V	98.8	Very high	97.1	Very high	58 Å²	58	60.9 Å²	60.9	35%	0.352	34%	0.338	S	S	.	.			trans	-79.5	129.8	170.1	179	0	0	0	0	108	F213 Q216 F237 I241	F213-V354 WeakPolarHBondContact CE1-O 3.27Å; Q216-V354 PolarHBondContact NE2-O 3.28Å; F237-V354 HydrophobicContact CE2-CG1 4.46Å; I241-V354 HydrophobicContact CG2-CB 3.98Å; I241-V354 HydrophobicContact CG2-CG1 4.1Å; I241-V354 HydrophobicContact CG2-CG2 4.17Å
355	C	98.7	Very high	96.8	Very high	11 Å²	11	67.5 Å²	67.5	7%	0.074	37%	0.369	C	S	.	.			trans	-118.2	78.9	178.5	-61.8	0	0	0	0	108.3	E174 F213 F348 V357	E174-C355 HydrophobicContact CB-CB 3.96Å; E174-C355 HydrophobicContact CG-CB 4.32Å; F213-C355 HydrophobicContact CE1-CB 4.47Å; F213-C355 HydrophobicContact CZ-CB 4.35Å; F348-C355 HydrophobicContact CD2-CB 4.12Å; F348-C355 WeakPolarHBondContact CD2-SG 3.35Å; F348-C355 HydrophobicContact CE2-CB 3.89Å; C355-V357 PolarHBondContact O-N 3.09Å
356	E	98.8	Very high	96.6	Very high	73 Å²	73	66.7 Å²	66.7	34%	0.341	37%	0.372	S	S	.	.			trans	-71.1	129.7	-177	-164.4	67	-156.1	0	0	110.3	Q212 F237 V387 K389	Q212-E356 PolarHBondContact NE2-O 3.02Å; F237-E356 HydrophobicContact CD2-CG 4.31Å; F237-E356 HydrophobicContact CE2-CB 3.66Å; F237-E356 HydrophobicContact CE2-CG 3.67Å; F237-E356 HydrophobicContact CZ-CB 3.58Å; F237-E356 HydrophobicContact CZ-CG 3.94Å; E356-V387 HydrophobicContact CG-CG1 4.38Å; E356-K389 PolarHBondContact O-N 3.11Å
357	V	98.8	Very high	96.6	Very high	29 Å²	29	66 Å²	66	18%	0.176	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.6	-178.7	176	0	0	0	0	108.6	P173 E174 T177 C355 C359 V391	P173-V357 HydrophobicContact CB-CG1 3.93Å; P173-V357 HydrophobicContact CB-CG2 4.12Å; P173-V357 HydrophobicContact CG-CG1 4.17Å; P173-V357 HydrophobicContact CG-CG2 4.31Å; E174-V357 HydrophobicContact CG-CG2 4.15Å; T177-V357 HydrophobicContact CG2-CG2 3.58Å; C355-V357 PolarHBondContact O-N 3.09Å; V357-C359 VanDerWaalsContact CG1-SG 3.57Å; V357-V391 HydrophobicContact CG1-CB 3.93Å; V357-V391 HydrophobicContact CG1-CG2 3.79Å
358	D	98.7	Very high	96.6	Very high	16 Å²	16	63.7 Å²	63.7	9%	0.086	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	101.3	172.1	-161.5	-37.7	0	0	0	109.6	G360 Y380 N386 V387 K389 V390 V391	D358-G360 VanDerWaalsContact C-N 3.26Å; D358-G360 WeakPolarHBondContact OD1-CA 3.45Å; D358-G360 PolarHBondContact OD1-N 3.18Å; D358-Y380 WeakPolarHBondContact OD2-CE1 3.28Å; D358-Y380 PolarHBondContact OD2-OH 3.41Å; D358-N386 HydrophobicContact CB-CB 4.34Å; D358-N386 WeakPolarHBondContact OD2-CA 3.21Å; D358-N386 WeakPolarHBondContact OD2-CB 3.26Å; D358-V387 WeakPolarHBondContact CB-O 3.29Å; D358-V387 PolarHBondContact OD2-N 3.39Å; D358-K389 PolarHBondContact N-O 3.38Å; D358-V390 HydrophobicContact CB-CG2 4.43Å; D358-V390 WeakPolarHBondContact O-CA 3.5Å; D358-V391 PolarHBondContact O-N 3.06Å
359	C	97.9	Very high	96.6	Very high	12 Å²	12	64.4 Å²	64.4	8%	0.081	36%	0.361	C	S	.	.			trans	-87.6	7.7	174.8	-69.5	0	0	0	0	112.3	V357 R367 F368	V357-C359 VanDerWaalsContact CG1-SG 3.57Å; C359-R367 HydrophobicContact CB-CG 4.15Å; C359-R367 CarbonylContact O-C 3.56Å; C359-R367 WeakPolarHBondContact O-CA 3.34Å; C359-R367 WeakPolarHBondContact O-CG 3.46Å; C359-F368 WeakPolarHBondContact O-CD2 3.28Å; C359-F368 PolarHBondContact O-N 2.84Å
360	G	97.2	Very high	96.6	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.332	C	S	.	.	S	Bend	trans	78	18.1	179.9	0	0	0	0	0	114.7	D358 M362 A363 G366 R367	D358-G360 VanDerWaalsContact C-N 3.26Å; D358-G360 WeakPolarHBondContact OD1-CA 3.45Å; D358-G360 PolarHBondContact OD1-N 3.18Å; G360-M362 PolarHBondContact O-N 3.07Å; G360-M362 VanDerWaalsContact O-N 3.11Å; G360-A363 WeakPolarHBondContact O-CB 3.43Å; G360-A363 PolarHBondContact O-N 3.4Å; G360-G366 CarbonylContact O-C 3.55Å; G360-G366 VanDerWaalsContact O-O 3.11Å; G360-R367 PolarHBondContact O-N 2.76Å
361	D	93.8	Very high	96.6	Very high	99 Å²	99	54.3 Å²	54.3	53%	0.529	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-28.9	179.6	-58.4	-69.8	0	0	0	112.1	R367	D361-R367 IonicContact OD1-NH1 2.71Å
362	M	90.9	Very high	96.6	Very high	158 Å²	158	55.2 Å²	55.2	78%	0.778	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	6.5	175.6	-59.9	-59.4	-69.8	0	0	113.9	G360	G360-M362 PolarHBondContact O-N 3.07Å; G360-M362 VanDerWaalsContact O-N 3.11Å
363	A	94.4	Very high	96.6	Very high	8 Å²	8	48.5 Å²	48.5	7%	0.066	26%	0.261	C	S	.	.	S	Bend	trans	-74.4	154	175.5	0	0	0	0	0	110.8	G360 E365 G366 F368 Y380	G360-A363 WeakPolarHBondContact O-CB 3.43Å; G360-A363 PolarHBondContact O-N 3.4Å; A363-E365 PolarHBondContact O-N 3.08Å; A363-E365 VanDerWaalsContact O-N 3.11Å; A363-G366 PolarHBondContact O-N 3.26Å; A363-F368 HydrophobicContact CB-CE1 3.92Å; A363-F368 HydrophobicContact CB-CZ 3.88Å; A363-Y380 HydrophobicContact CB-CD2 3.95Å; A363-Y380 HydrophobicContact CB-CE2 3.91Å
364	P	91	Very high	96.6	Very high	111 Å²	111	48.3 Å²	48.3	72%	0.721	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-32.4	-176.6	-27.9	35.6	0	0	0	115.2
365	E	91.8	Very high	96.6	Very high	140 Å²	140	46.8 Å²	46.8	65%	0.654	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.5	15	179.4	-66.9	171.2	-108.9	0	0	112.1	A363 R376	A363-E365 PolarHBondContact O-N 3.08Å; A363-E365 VanDerWaalsContact O-N 3.11Å; E365-R376 WeakPolarHBondContact OE1-CD 3.44Å; E365-R376 IonicContact OE1-NE 3.39Å; E365-R376 WeakPolarHBondContact OE2-CD 3.37Å; E365-R376 IonicContact OE2-NE 3.14Å; E365-R376 PolarHBondContact OE2-NE 2.91Å
366	G	94.6	Very high	96.5	Very high	24 Å²	24	48.3 Å²	48.3	25%	0.247	25%	0.253	C	S	.	.			trans	69.3	-166.2	-177.2	0	0	0	0	0	114.2	G360 A363	G360-G366 CarbonylContact O-C 3.55Å; G360-G366 VanDerWaalsContact O-O 3.11Å; A363-G366 PolarHBondContact O-N 3.26Å
367	R	97.4	Very high	96.5	Very high	105 Å²	105	44.9 Å²	44.9	40%	0.396	24%	0.237	S	C	.	.	S	Bend	trans	-47.4	142.1	-173.5	-169.2	179.1	173	126.6	-9.6	113	C359 G360 D361 V369 E393	C359-R367 HydrophobicContact CB-CG 4.15Å; C359-R367 CarbonylContact O-C 3.56Å; C359-R367 WeakPolarHBondContact O-CA 3.34Å; C359-R367 WeakPolarHBondContact O-CG 3.46Å; G360-R367 PolarHBondContact O-N 2.76Å; D361-R367 IonicContact OD1-NH1 2.71Å; R367-V369 HydrophobicContact CB-CG2 4.19Å; R367-V369 HydrophobicContact CG-CG2 3.87Å; R367-V369 PolarHBondContact O-N 3.44Å; R367-V369 VanDerWaalsContact O-N 3.16Å; R367-E393 IonicContact CZ-OE2 3.91Å; R367-E393 VanDerWaalsContact CZ-OE2 3.31Å; R367-E393 IonicContact NE-OE2 2.68Å; R367-E393 PolarHBondContact NE-OE2 2.96Å; R367-E393 VanDerWaalsContact NE-OE2 3.08Å; R367-E393 IonicContact NH2-OE2 3.14Å; R367-E393 PolarHBondContact NH2-OE2 3.33Å
368	F	98.4	Very high	96.5	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	23%	0.229	C	C	.	.			trans	-80.4	94.2	177	-54.3	-49.7	0	0	0	110.6	C359 A363 S373 R376 A377 Y380 V390 V392 E393	C359-F368 WeakPolarHBondContact O-CD2 3.28Å; C359-F368 PolarHBondContact O-N 2.84Å; A363-F368 HydrophobicContact CB-CE1 3.92Å; A363-F368 HydrophobicContact CB-CZ 3.88Å; F368-S373 VanDerWaalsContact C-OG 3.25Å; F368-S373 WeakPolarHBondContact CA-OG 3.3Å; F368-R376 HydrophobicContact CE1-CB 4.4Å; F368-A377 HydrophobicContact CD1-CB 4.04Å; F368-A377 HydrophobicContact CD2-CB 3.91Å; F368-A377 HydrophobicContact CE1-CB 4.17Å; F368-A377 HydrophobicContact CE2-CB 4.04Å; F368-A377 HydrophobicContact CG-CB 3.92Å; F368-A377 HydrophobicContact CZ-CB 4.19Å; F368-Y380 HydrophobicContact CE2-CD1 4.07Å; F368-Y380 HydrophobicContact CE2-CG 4.38Å; F368-Y380 AromaticContact CZ-CD1 3.84Å; F368-Y380 HydrophobicContact CZ-CD1 3.84Å; F368-Y380 HydrophobicContact CZ-CD2 4.17Å; F368-Y380 HydrophobicContact CZ-CE1 4.46Å; F368-Y380 AromaticContact CZ-CG 3.69Å; F368-Y380 HydrophobicContact CZ-CG 3.69Å; F368-V390 HydrophobicContact CD2-CG1 4.18Å; F368-V390 HydrophobicContact CE2-CG1 3.94Å; F368-V392 HydrophobicContact CB-CB 4.42Å; F368-V392 HydrophobicContact CB-CG1 4.5Å; F368-V392 HydrophobicContact CB-CG2 3.96Å; F368-E393 PolarHBondContact O-N 3.43Å
369	V	97.6	Very high	96.5	Very high	65 Å²	65	46 Å²	46	39%	0.394	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-120.3	133.1	179.8	-175.3	0	0	0	0	109.7	R367 S373 E393 T395	R367-V369 HydrophobicContact CB-CG2 4.19Å; R367-V369 HydrophobicContact CG-CG2 3.87Å; R367-V369 PolarHBondContact O-N 3.44Å; R367-V369 VanDerWaalsContact O-N 3.16Å; V369-S373 PolarHBondContact N-OG 3.02Å; V369-S373 WeakPolarHBondContact O-CB 3.1Å; V369-S373 PolarHBondContact O-OG 3.36Å; V369-E393 CarbonylContact C-O 3.4Å; V369-E393 WeakPolarHBondContact CA-O 3.38Å; V369-T395 WeakPolarHBondContact CG1-OG1 3.47Å
370	G	97.6	Very high	96.5	Very high	11 Å²	11	46.4 Å²	46.4	11%	0.113	24%	0.242	C	C	.	.	S	Bend	trans	81.1	158.1	-177.5	0	0	0	0	0	113.6	E372 S373 V392 E393	G370-E372 PolarHBondContact O-N 3Å; G370-S373 WeakPolarHBondContact O-CB 3.34Å; G370-S373 PolarHBondContact O-N 2.91Å; G370-S373 PolarHBondContact O-OG 2.86Å; G370-V392 WeakPolarHBondContact O-CG1 3.36Å; G370-E393 PolarHBondContact N-O 3.48Å
371	L	98	Very high	96.6	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.3	-178.7	-71.5	174.5	0	0	0	112.6	K60 L62 L77 F154 E156 S373 V374 V394	K60-L371 HydrophobicContact CB-CD1 3.86Å; K60-L371 VanDerWaalsContact O-CD1 3.29Å; K60-L371 WeakPolarHBondContact O-CD1 3.48Å; L62-L371 HydrophobicContact CG-CB 4.49Å; L77-L371 HydrophobicContact CD1-CB 3.82Å; L77-L371 HydrophobicContact CD1-CD1 4.16Å; F154-L371 HydrophobicContact CB-CD2 4.44Å; E156-L371 HydrophobicContact CG-CD1 4.14Å; L371-S373 PolarHBondContact O-N 2.97Å; L371-V374 VanDerWaalsContact O-CB 3.29Å; L371-V374 WeakPolarHBondContact O-CB 3.19Å; L371-V374 VanDerWaalsContact O-CG2 3.3Å; L371-V374 WeakPolarHBondContact O-CG2 3.3Å; L371-V374 PolarHBondContact O-N 3.41Å; L371-V394 HydrophobicContact CD2-CG1 4.36Å; L371-V394 HydrophobicContact CD2-CG2 4.22Å; L371-V394 HydrophobicContact CG-CG1 4.3Å
372	E	97.1	Very high	96.8	Very high	88 Å²	88	44.5 Å²	44.5	41%	0.411	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-29.6	173.2	-63.5	82.4	171.9	0	0	112	K60 L77 G370 V374 F375	K60-E372 IonicContact NZ-OE1 3.89Å; K60-E372 PolarHBondContact NZ-OE1 3.22Å; L77-E372 HydrophobicContact CD2-CG 3.9Å; L77-E372 WeakPolarHBondContact CD2-OE1 3.47Å; G370-E372 PolarHBondContact O-N 3Å; E372-V374 VanDerWaalsContact C-N 3.31Å; E372-V374 PolarHBondContact O-N 2.78Å; E372-F375 WeakPolarHBondContact O-CD2 3.44Å
373	S	98.2	Very high	97.1	Very high	2 Å²	2	40 Å²	40	1%	0.014	22%	0.216	C	C	.	.	H	α-helix	trans	-76.8	-15.6	179.9	74.8	0	0	0	0	113.7	F368 V369 G370 L371 F375 R376 A377 V392	F368-S373 VanDerWaalsContact C-OG 3.25Å; F368-S373 WeakPolarHBondContact CA-OG 3.3Å; V369-S373 PolarHBondContact N-OG 3.02Å; V369-S373 WeakPolarHBondContact O-CB 3.1Å; V369-S373 PolarHBondContact O-OG 3.36Å; G370-S373 WeakPolarHBondContact O-CB 3.34Å; G370-S373 PolarHBondContact O-N 2.91Å; G370-S373 PolarHBondContact O-OG 2.86Å; L371-S373 PolarHBondContact O-N 2.97Å; S373-F375 PolarHBondContact O-N 3.36Å; S373-R376 PolarHBondContact O-N 2.66Å; S373-R376 VanDerWaalsContact O-N 3.08Å; S373-A377 WeakPolarHBondContact O-CB 3.27Å; S373-A377 PolarHBondContact O-N 2.81Å; S373-V392 WeakPolarHBondContact OG-CG1 3.47Å
374	V	98.7	Very high	97.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-54.8	-42	176	172.5	0	0	0	0	111.1	L62 F71 I99 F154 L371 E372 R376 A377 V378 V392	L62-V374 HydrophobicContact CD1-CB 3.63Å; L62-V374 HydrophobicContact CD1-CG1 3.6Å; L62-V374 HydrophobicContact CD1-CG2 3.92Å; F71-V374 HydrophobicContact CE1-CG1 3.88Å; F71-V374 HydrophobicContact CZ-CG1 4.07Å; I99-V374 HydrophobicContact CD1-CB 4.43Å; I99-V374 HydrophobicContact CD1-CG1 3.83Å; I99-V374 HydrophobicContact CD1-CG2 4.36Å; F154-V374 HydrophobicContact CD2-CG1 3.86Å; F154-V374 HydrophobicContact CE1-CG1 4.48Å; F154-V374 HydrophobicContact CE2-CG1 3.66Å; F154-V374 HydrophobicContact CG-CG1 4.37Å; F154-V374 HydrophobicContact CZ-CG1 4Å; L371-V374 VanDerWaalsContact O-CB 3.29Å; L371-V374 WeakPolarHBondContact O-CB 3.19Å; L371-V374 VanDerWaalsContact O-CG2 3.3Å; L371-V374 WeakPolarHBondContact O-CG2 3.3Å; L371-V374 PolarHBondContact O-N 3.41Å; E372-V374 VanDerWaalsContact C-N 3.31Å; E372-V374 PolarHBondContact O-N 2.78Å; V374-R376 VanDerWaalsContact C-N 3.33Å; V374-R376 PolarHBondContact O-N 2.74Å; V374-A377 PolarHBondContact O-N 3.23Å; V374-V378 HydrophobicContact CG1-CG2 4.4Å; V374-V378 WeakPolarHBondContact O-CG2 3.43Å; V374-V378 PolarHBondContact O-N 3.02Å; V374-V392 HydrophobicContact CG2-CB 4.35Å; V374-V392 HydrophobicContact CG2-CG1 4.17Å; V374-V392 HydrophobicContact CG2-CG2 4.03Å
375	F	98.6	Very high	97.5	Very high	26 Å²	26	40.4 Å²	40.4	11%	0.114	21%	0.212	C	C	.	.	H	α-helix	trans	-58.7	-44.8	178.5	-62.5	-80.8	0	0	0	112.1	L62 F71 R72 V75 E372 S373 D379	L62-F375 HydrophobicContact CD1-CE2 4.47Å; L62-F375 HydrophobicContact CD2-CE2 3.76Å; L62-F375 HydrophobicContact CD2-CZ 3.83Å; F71-F375 AromaticContact CD1-CD1 3.74Å; F71-F375 HydrophobicContact CD1-CD1 3.74Å; F71-F375 HydrophobicContact CD1-CE1 4.13Å; F71-F375 AromaticContact CE1-CD1 3.93Å; F71-F375 HydrophobicContact CE1-CD1 3.93Å; F71-F375 HydrophobicContact CE1-CE1 4.09Å; R72-F375 HydrophobicContact CG-CB 4.38Å; R72-F375 HydrophobicContact CG-CD1 4.02Å; V75-F375 HydrophobicContact CB-CE1 4.05Å; V75-F375 HydrophobicContact CB-CZ 4.5Å; V75-F375 HydrophobicContact CG1-CE1 4.27Å; V75-F375 HydrophobicContact CG1-CZ 4.29Å; V75-F375 WeakPolarHBondContact O-CE1 3.28Å; E372-F375 WeakPolarHBondContact O-CD2 3.44Å; S373-F375 PolarHBondContact O-N 3.36Å; F375-D379 PolarHBondContact O-N 2.82Å; F375-D379 VanDerWaalsContact O-N 3.16Å
376	R	98	Very high	97.9	Very high	43 Å²	43	34.5 Å²	34.5	16%	0.162	19%	0.185	C	C	.	.	H	α-helix	trans	-71.4	-33.9	177.7	-62	-169.2	-65.6	99.8	-6	112	E365 F368 S373 V374 D379 Y380	E365-R376 WeakPolarHBondContact OE1-CD 3.44Å; E365-R376 IonicContact OE1-NE 3.39Å; E365-R376 WeakPolarHBondContact OE2-CD 3.37Å; E365-R376 IonicContact OE2-NE 3.14Å; E365-R376 PolarHBondContact OE2-NE 2.91Å; F368-R376 HydrophobicContact CE1-CB 4.4Å; S373-R376 PolarHBondContact O-N 2.66Å; S373-R376 VanDerWaalsContact O-N 3.08Å; V374-R376 VanDerWaalsContact C-N 3.33Å; V374-R376 PolarHBondContact O-N 2.74Å; R376-D379 PolarHBondContact O-N 2.83Å; R376-Y380 WeakPolarHBondContact O-CB 3.29Å; R376-Y380 PolarHBondContact O-N 2.93Å
377	A	98.6	Very high	98	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.7	-38.5	177.7	0	0	0	0	0	111.7	I99 F368 S373 V374 Y380 M381 V390 V392	I99-A377 HydrophobicContact CD1-CB 4.37Å; I99-A377 HydrophobicContact CG1-CB 3.8Å; F368-A377 HydrophobicContact CD1-CB 4.04Å; F368-A377 HydrophobicContact CD2-CB 3.91Å; F368-A377 HydrophobicContact CE1-CB 4.17Å; F368-A377 HydrophobicContact CE2-CB 4.04Å; F368-A377 HydrophobicContact CG-CB 3.92Å; F368-A377 HydrophobicContact CZ-CB 4.19Å; S373-A377 WeakPolarHBondContact O-CB 3.27Å; S373-A377 PolarHBondContact O-N 2.81Å; V374-A377 PolarHBondContact O-N 3.23Å; A377-Y380 PolarHBondContact O-N 3.46Å; A377-M381 PolarHBondContact O-N 3.25Å; A377-V390 HydrophobicContact CB-CG1 3.85Å; A377-V392 HydrophobicContact CB-CG2 3.79Å
378	V	98.7	Very high	98.1	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.018	16%	0.161	C	C	.	.	H	α-helix	trans	-60.5	-50	169.8	171.9	0	0	0	0	110.4	F71 I99 I104 V374 Y380 M381 Y382	F71-V378 HydrophobicContact CB-CG1 4.03Å; F71-V378 HydrophobicContact CD1-CB 4.4Å; F71-V378 HydrophobicContact CD1-CG1 4.5Å; F71-V378 HydrophobicContact CD1-CG2 4.04Å; F71-V378 HydrophobicContact CE1-CG2 4.15Å; F71-V378 HydrophobicContact CG-CG1 4.2Å; F71-V378 HydrophobicContact CG-CG2 4.27Å; F71-V378 HydrophobicContact CZ-CG2 4.44Å; I99-V378 HydrophobicContact CG2-CG2 3.82Å; I104-V378 HydrophobicContact CG2-CG1 3.95Å; V374-V378 HydrophobicContact CG1-CG2 4.4Å; V374-V378 WeakPolarHBondContact O-CG2 3.43Å; V374-V378 PolarHBondContact O-N 3.02Å; V378-Y380 VanDerWaalsContact C-N 3.29Å; V378-Y380 PolarHBondContact O-N 3.38Å; V378-M381 PolarHBondContact O-N 3.43Å; V378-Y382 HydrophobicContact CG1-CD2 3.96Å; V378-Y382 HydrophobicContact CG1-CE2 4.24Å; V378-Y382 WeakPolarHBondContact O-CD2 3.49Å; V378-Y382 PolarHBondContact O-N 3.12Å
379	D	98.2	Very high	98.1	Very high	66 Å²	66	29.5 Å²	29.5	35%	0.353	16%	0.161	S	C	.	.	H	α-helix	trans	-59.6	-40.5	177.4	-67	-22.1	0	0	0	112.2	R72 F375 R376 Y382 A383	R72-D379 IonicContact CZ-OD2 3.9Å; R72-D379 IonicContact NE-OD1 3.71Å; R72-D379 IonicContact NE-OD2 3.97Å; R72-D379 PolarHBondContact NE-OD2 3.14Å; R72-D379 IonicContact NH2-OD2 2.86Å; R72-D379 PolarHBondContact NH2-OD2 2.88Å; F375-D379 PolarHBondContact O-N 2.82Å; F375-D379 VanDerWaalsContact O-N 3.16Å; R376-D379 PolarHBondContact O-N 2.83Å; D379-Y382 PolarHBondContact O-N 2.99Å; D379-A383 VanDerWaalsContact O-CB 3.29Å; D379-A383 WeakPolarHBondContact O-CB 3.41Å; D379-A383 PolarHBondContact O-N 3.11Å
380	Y	98.4	Very high	98.2	Very high	21 Å²	21	26.6 Å²	26.6	8%	0.082	14%	0.143	C	C	.	.	H	α-helix	trans	-63.4	-42.4	179.8	-178	-97.8	0	0	0	112.3	D358 A363 F368 R376 A377 V378 A383 G384 K385 N386 V390	D358-Y380 WeakPolarHBondContact OD2-CE1 3.28Å; D358-Y380 PolarHBondContact OD2-OH 3.41Å; A363-Y380 HydrophobicContact CB-CD2 3.95Å; A363-Y380 HydrophobicContact CB-CE2 3.91Å; F368-Y380 HydrophobicContact CE2-CD1 4.07Å; F368-Y380 HydrophobicContact CE2-CG 4.38Å; F368-Y380 AromaticContact CZ-CD1 3.84Å; F368-Y380 HydrophobicContact CZ-CD1 3.84Å; F368-Y380 HydrophobicContact CZ-CD2 4.17Å; F368-Y380 HydrophobicContact CZ-CE1 4.46Å; F368-Y380 AromaticContact CZ-CG 3.69Å; F368-Y380 HydrophobicContact CZ-CG 3.69Å; R376-Y380 WeakPolarHBondContact O-CB 3.29Å; R376-Y380 PolarHBondContact O-N 2.93Å; A377-Y380 PolarHBondContact O-N 3.46Å; V378-Y380 VanDerWaalsContact C-N 3.29Å; V378-Y380 PolarHBondContact O-N 3.38Å; Y380-A383 PolarHBondContact O-N 3.21Å; Y380-G384 PolarHBondContact O-N 3.3Å; Y380-K385 HydrophobicContact CD1-CB 4.25Å; Y380-K385 HydrophobicContact CD2-CB 3.68Å; Y380-K385 HydrophobicContact CD2-CD 3.65Å; Y380-K385 HydrophobicContact CD2-CG 4.26Å; Y380-K385 HydrophobicContact CE1-CB 3.92Å; Y380-K385 HydrophobicContact CE2-CB 3.3Å; Y380-K385 HydrophobicContact CE2-CD 3.65Å; Y380-K385 HydrophobicContact CE2-CG 4.11Å; Y380-K385 HydrophobicContact CG-CB 4.12Å; Y380-K385 VanDerWaalsContact CZ-CB 3.41Å; Y380-K385 PolarHBondContact O-N 3.48Å; Y380-N386 HydrophobicContact CD1-CB 3.96Å; Y380-N386 VanDerWaalsContact CE1-CA 3.42Å; Y380-N386 HydrophobicContact CE1-CB 3.56Å; Y380-V390 HydrophobicContact CD1-CG2 4.4Å
381	M	98.3	Very high	98.2	Very high	21 Å²	21	26 Å²	26	10%	0.103	14%	0.138	C	C	.	.	H	α-helix	trans	-63.5	-45.8	173.1	179.1	-174.1	60.2	0	0	111.4	I99 A101 A377 V378 A383 G384 V390	I99-M381 HydrophobicContact CG2-CE 4.03Å; I99-M381 HydrophobicContact CG2-SD 4.22Å; A101-M381 VanDerWaalsContact CA-CE 3.48Å; A101-M381 HydrophobicContact CB-CE 4.4Å; A101-M381 HydrophobicContact CB-SD 4.34Å; A101-M381 PolarHBondContact N-SD 2.94Å; A377-M381 PolarHBondContact O-N 3.25Å; V378-M381 PolarHBondContact O-N 3.43Å; M381-A383 VanDerWaalsContact C-N 3.32Å; M381-A383 PolarHBondContact O-N 2.56Å; M381-G384 WeakPolarHBondContact O-CA 3.38Å; M381-G384 PolarHBondContact O-N 3.22Å; M381-V390 HydrophobicContact CB-CG2 4.3Å
382	Y	98	Very high	98.3	Very high	38 Å²	38	25.9 Å²	25.9	15%	0.149	14%	0.137	C	C	.	.	H	α-helix	trans	-70.2	-26.7	179.1	-88.4	-78.3	0	0	0	113.7	A101 I104 I297 Y300 Q301 V378 D379 G384	A101-Y382 PolarHBondContact O-OH 3.13Å; I104-Y382 HydrophobicContact CD1-CE1 3.86Å; I104-Y382 HydrophobicContact CD1-CE2 3.82Å; I104-Y382 WeakPolarHBondContact CD1-OH 3.39Å; I104-Y382 HydrophobicContact CG1-CE2 4.2Å; I104-Y382 WeakPolarHBondContact CG1-OH 3.49Å; I104-Y382 HydrophobicContact CG2-CE2 3.81Å; I297-Y382 HydrophobicContact CD1-CE1 4.1Å; I297-Y382 HydrophobicContact CG1-CD1 4.45Å; I297-Y382 HydrophobicContact CG1-CE1 3.69Å; Y300-Y382 WeakPolarHBondContact CB-OH 3.35Å; Y300-Y382 WeakPolarHBondContact CD2-OH 3.31Å; Q301-Y382 HydrophobicContact CG-CD1 3.78Å; Q301-Y382 HydrophobicContact CG-CE1 3.73Å; Q301-Y382 HydrophobicContact CG-CG 4.5Å; V378-Y382 HydrophobicContact CG1-CD2 3.96Å; V378-Y382 HydrophobicContact CG1-CE2 4.24Å; V378-Y382 WeakPolarHBondContact O-CD2 3.49Å; V378-Y382 PolarHBondContact O-N 3.12Å; D379-Y382 PolarHBondContact O-N 2.99Å; Y382-G384 PolarHBondContact O-N 2.84Å
383	A	97.3	Very high	98.3	Very high	62 Å²	62	24.4 Å²	24.4	51%	0.512	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-2.9	167.7	0	0	0	0	0	112.7	D379 Y380 M381 K385	D379-A383 VanDerWaalsContact O-CB 3.29Å; D379-A383 WeakPolarHBondContact O-CB 3.41Å; D379-A383 PolarHBondContact O-N 3.11Å; Y380-A383 PolarHBondContact O-N 3.21Å; M381-A383 VanDerWaalsContact C-N 3.32Å; M381-A383 PolarHBondContact O-N 2.56Å; A383-K385 VanDerWaalsContact C-N 3.27Å; A383-K385 HydrophobicContact CB-CD 4.17Å; A383-K385 HydrophobicContact CB-CG 3.97Å; A383-K385 PolarHBondContact O-N 3.08Å
384	G	97.3	Very high	98.3	Very high	25 Å²	25	24.4 Å²	24.4	26%	0.258	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	32.4	177.4	0	0	0	0	0	112.8	S230 K234 Y380 M381 Y382	S230-G384 PolarHBondContact OG-O 3.07Å; K234-G384 PolarHBondContact NZ-O 3.24Å; Y380-G384 PolarHBondContact O-N 3.3Å; M381-G384 WeakPolarHBondContact O-CA 3.38Å; M381-G384 PolarHBondContact O-N 3.22Å; Y382-G384 PolarHBondContact O-N 2.84Å
385	K	97.9	Very high	97.4	Very high	104 Å²	104	28.4 Å²	28.4	45%	0.452	16%	0.155	S	C	.	.			trans	-88.4	-31.5	-176.3	-67.6	-176.4	176.2	-177.8	0	113.3	K234 Y380 A383	K234-K385 VanDerWaalsContact CE-O 3.31Å; K234-K385 WeakPolarHBondContact CE-O 3.4Å; Y380-K385 HydrophobicContact CD1-CB 4.25Å; Y380-K385 HydrophobicContact CD2-CB 3.68Å; Y380-K385 HydrophobicContact CD2-CD 3.65Å; Y380-K385 HydrophobicContact CD2-CG 4.26Å; Y380-K385 HydrophobicContact CE1-CB 3.92Å; Y380-K385 HydrophobicContact CE2-CB 3.3Å; Y380-K385 HydrophobicContact CE2-CD 3.65Å; Y380-K385 HydrophobicContact CE2-CG 4.11Å; Y380-K385 HydrophobicContact CG-CB 4.12Å; Y380-K385 VanDerWaalsContact CZ-CB 3.41Å; Y380-K385 PolarHBondContact O-N 3.48Å; A383-K385 VanDerWaalsContact C-N 3.27Å; A383-K385 HydrophobicContact CB-CD 4.17Å; A383-K385 HydrophobicContact CB-CG 3.97Å; A383-K385 PolarHBondContact O-N 3.08Å
386	N	98.4	Very high	95.7	Very high	16 Å²	16	27.4 Å²	27.4	9%	0.086	15%	0.151	C	C	.	.			trans	-65.6	146.8	-169.3	66.9	-67.6	0	0	0	115.8	K234 D358 Y380 G388 V390	K234-N386 WeakPolarHBondContact CE-O 3.47Å; K234-N386 PolarHBondContact NZ-O 3.24Å; D358-N386 HydrophobicContact CB-CB 4.34Å; D358-N386 WeakPolarHBondContact OD2-CA 3.21Å; D358-N386 WeakPolarHBondContact OD2-CB 3.26Å; Y380-N386 HydrophobicContact CD1-CB 3.96Å; Y380-N386 VanDerWaalsContact CE1-CA 3.42Å; Y380-N386 HydrophobicContact CE1-CB 3.56Å; N386-G388 PolarHBondContact ND2-O 2.61Å; N386-V390 HydrophobicContact CB-CG2 3.33Å
387	V	98.5	Very high	94	Very high	21 Å²	21	28.3 Å²	28.3	13%	0.127	16%	0.162	C	C	.	.	S	Bend	trans	-114.9	113.9	166.9	-171.1	0	0	0	0	108.2	K234 F237 E356 D358	K234-V387 HydrophobicContact CG-CG2 3.86Å; F237-V387 HydrophobicContact CB-CG1 3.86Å; F237-V387 HydrophobicContact CD1-CG1 3.69Å; F237-V387 HydrophobicContact CD2-CG1 4.13Å; F237-V387 HydrophobicContact CE1-CG1 4.26Å; F237-V387 HydrophobicContact CG-CG1 3.6Å; E356-V387 HydrophobicContact CG-CG1 4.38Å; D358-V387 WeakPolarHBondContact CB-O 3.29Å; D358-V387 PolarHBondContact OD2-N 3.39Å
388	G	98.6	Very high	92.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	83.6	-157.2	-172.5	0	0	0	0	0	113.4	A207 G208 G209 N386	A207-G388 PolarHBondContact O-N 3.26Å; G208-G388 CarbonylContact C-O 3.52Å; G209-G388 PolarHBondContact N-O 3.18Å; G209-G388 VanDerWaalsContact N-O 3.12Å; N386-G388 PolarHBondContact ND2-O 2.61Å
389	K	98.9	Very high	90.3	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.017	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	121.6	-174.8	174.4	59.4	170.7	179.7	0	110.2	I99 N100 E124 T177 E356 D358 V391	I99-K389 PolarHBondContact O-NZ 2.9Å; N100-K389 VanDerWaalsContact CG-NZ 3.3Å; N100-K389 PolarHBondContact ND2-NZ 3.06Å; N100-K389 PolarHBondContact OD1-NZ 3.23Å; E124-K389 WeakPolarHBondContact OE1-CE 3.33Å; E124-K389 IonicContact OE1-NZ 3.16Å; E124-K389 PolarHBondContact OE1-NZ 3.1Å; T177-K389 HydrophobicContact CG2-CB 3.7Å; T177-K389 HydrophobicContact CG2-CG 3.92Å; E356-K389 PolarHBondContact O-N 3.11Å; D358-K389 PolarHBondContact N-O 3.38Å; K389-V391 HydrophobicContact CG-CG2 3.96Å; K389-V391 PolarHBondContact O-N 2.57Å
390	V	98.9	Very high	88.1	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.018	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	124.8	174.1	-178	0	0	0	0	109.9	I99 D358 F368 A377 Y380 M381 N386	I99-V390 HydrophobicContact CB-CB 4.01Å; I99-V390 HydrophobicContact CB-CG1 3.88Å; I99-V390 HydrophobicContact CG1-CB 4.43Å; I99-V390 HydrophobicContact CG1-CG1 3.81Å; I99-V390 HydrophobicContact CG2-CG1 4.47Å; I99-V390 PolarHBondContact N-O 2.94Å; D358-V390 HydrophobicContact CB-CG2 4.43Å; D358-V390 WeakPolarHBondContact O-CA 3.5Å; F368-V390 HydrophobicContact CD2-CG1 4.18Å; F368-V390 HydrophobicContact CE2-CG1 3.94Å; A377-V390 HydrophobicContact CB-CG1 3.85Å; Y380-V390 HydrophobicContact CD1-CG2 4.4Å; M381-V390 HydrophobicContact CB-CG2 4.3Å; N386-V390 HydrophobicContact CB-CG2 3.33Å
391	V	98.8	Very high	85.2	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.3	-178.3	178.1	0	0	0	0	109.4	F96 P173 L176 V357 D358 K389	F96-V391 HydrophobicContact CB-CG1 3.65Å; F96-V391 HydrophobicContact CD1-CG1 3.82Å; F96-V391 HydrophobicContact CG-CG1 4.11Å; P173-V391 HydrophobicContact CB-CG1 4.01Å; P173-V391 HydrophobicContact CB-CG2 4.47Å; L176-V391 HydrophobicContact CD2-CG1 4.02Å; L176-V391 HydrophobicContact CD2-CG2 4.11Å; V357-V391 HydrophobicContact CG1-CB 3.93Å; V357-V391 HydrophobicContact CG1-CG2 3.79Å; D358-V391 PolarHBondContact O-N 3.06Å; K389-V391 HydrophobicContact CG-CG2 3.96Å; K389-V391 PolarHBondContact O-N 2.57Å
392	V	98.8	Very high	82.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.8	171.8	174	0	0	0	0	108.7	F96 V97 I99 F368 G370 S373 V374 A377 V394	F96-V392 VanDerWaalsContact CA-O 3.28Å; F96-V392 WeakPolarHBondContact CA-O 3.27Å; V97-V392 HydrophobicContact CG2-CB 3.83Å; V97-V392 HydrophobicContact CG2-CG1 4.36Å; V97-V392 PolarHBondContact N-O 3.04Å; V97-V392 PolarHBondContact O-N 2.89Å; I99-V392 HydrophobicContact CD1-CG2 3.81Å; I99-V392 HydrophobicContact CG1-CG2 3.91Å; F368-V392 HydrophobicContact CB-CB 4.42Å; F368-V392 HydrophobicContact CB-CG1 4.5Å; F368-V392 HydrophobicContact CB-CG2 3.96Å; G370-V392 WeakPolarHBondContact O-CG1 3.36Å; S373-V392 WeakPolarHBondContact OG-CG1 3.47Å; V374-V392 HydrophobicContact CG2-CB 4.35Å; V374-V392 HydrophobicContact CG2-CG1 4.17Å; V374-V392 HydrophobicContact CG2-CG2 4.03Å; A377-V392 HydrophobicContact CB-CG2 3.79Å; V392-V394 PolarHBondContact O-N 3.23Å
393	E	98.3	Very high	79.1	Confident	57 Å²	57	60.5 Å²	60.5	27%	0.266	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	115.2	167.5	-175.6	171.5	-179.4	0	0	109	R95 F96 R367 F368 V369 G370	R95-E393 CarbonylContact O-C 3.57Å; R95-E393 WeakPolarHBondContact O-CA 3.27Å; F96-E393 HydrophobicContact CD1-CB 3.94Å; F96-E393 HydrophobicContact CD1-CG 4.22Å; F96-E393 HydrophobicContact CE1-CB 3.73Å; F96-E393 HydrophobicContact CE1-CG 3.72Å; F96-E393 HydrophobicContact CZ-CG 4.36Å; R367-E393 IonicContact CZ-OE2 3.91Å; R367-E393 VanDerWaalsContact CZ-OE2 3.31Å; R367-E393 IonicContact NE-OE2 2.68Å; R367-E393 PolarHBondContact NE-OE2 2.96Å; R367-E393 VanDerWaalsContact NE-OE2 3.08Å; R367-E393 IonicContact NH2-OE2 3.14Å; R367-E393 PolarHBondContact NH2-OE2 3.33Å; F368-E393 PolarHBondContact O-N 3.43Å; V369-E393 CarbonylContact C-O 3.4Å; V369-E393 WeakPolarHBondContact CA-O 3.38Å; G370-E393 PolarHBondContact N-O 3.48Å
394	V	96.6	Very high	78.2	Confident	3 Å²	3	60.5 Å²	60.5	2%	0.018	34%	0.337	C	S	.	.			trans	-82.4	125.5	172.3	-170.9	0	0	0	0	106.5	N94 R95 V97 E156 L371 V392 P396	N94-V394 HydrophobicContact CB-CG2 4.48Å; R95-V394 PolarHBondContact O-N 3.25Å; V97-V394 HydrophobicContact CB-CG2 4.36Å; V97-V394 HydrophobicContact CG1-CG2 3.67Å; V97-V394 HydrophobicContact CG2-CG2 3.88Å; E156-V394 HydrophobicContact CG-CG1 4.11Å; L371-V394 HydrophobicContact CD2-CG1 4.36Å; L371-V394 HydrophobicContact CD2-CG2 4.22Å; L371-V394 HydrophobicContact CG-CG1 4.3Å; V392-V394 PolarHBondContact O-N 3.23Å; V394-P396 WeakPolarHBondContact O-CD 3.28Å
395	T	80.1	Confident	77.2	Confident	83 Å²	83	62.3 Å²	62.3	51%	0.509	34%	0.341	S	S	.	.			trans	-103	73.4	175.4	-46	0	0	0	0	109.6	V369	V369-T395 WeakPolarHBondContact CG1-OG1 3.47Å
396	P	63.3	Low	76.1	Confident	5 Å²	5	60 Å²	60	3%	0.032	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-66.1	149.4	178.2	28.2	-34.6	0	0	0	110.1	R93 E156 V394 S398	R93-P396 HydrophobicContact CG-CB 4.11Å; R93-P396 HydrophobicContact CG-CG 3.76Å; R93-P396 PolarHBondContact NH2-O 3.18Å; E156-P396 HydrophobicContact CB-CB 4.06Å; E156-P396 HydrophobicContact CG-CB 4.24Å; V394-P396 WeakPolarHBondContact O-CD 3.28Å; P396-S398 PolarHBondContact O-N 3.17Å
397	P	62.8	Low	74.7	Confident	63 Å²	63	62.6 Å²	62.6	41%	0.409	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-48.5	134	-179.8	-25.9	31.5	0	0	0	112.1	R93 E156 L399	R93-P397 VanDerWaalsContact NH2-C 3.32Å; R93-P397 PolarHBondContact NH2-O 3.12Å; E156-P397 WeakPolarHBondContact OE1-CD 3.33Å; P397-L399 PolarHBondContact O-N 3.01Å
398	S	61.4	Low	73.3	Confident	91 Å²	91	65.2 Å²	65.2	64%	0.636	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-52.2	134.9	177.8	46.8	0	0	0	0	110.6	P396 D400	P396-S398 PolarHBondContact O-N 3.17Å; S398-D400 PolarHBondContact O-N 3.17Å
399	L	58.3	Low	71.6	Confident	57 Å²	57	69.5 Å²	69.5	30%	0.298	39%	0.387	S	S	.	.			trans	-68.6	105.7	163.2	-63.6	171.1	0	0	0	103.9	S54 P397 S401	S54-L399 VanDerWaalsContact C-CD2 3.46Å; S54-L399 WeakPolarHBondContact O-CD2 3.15Å; S54-L399 WeakPolarHBondContact OG-CD2 3.43Å; P397-L399 PolarHBondContact O-N 3.01Å; L399-S401 PolarHBondContact O-N 3.08Å; L399-S401 VanDerWaalsContact O-N 3.11Å
400	D	51.1	Low	69.6	Low	116 Å²	116	74.2 Å²	74.2	62%	0.62	41%	0.414	S	S	*	.			trans	-52.4	124.3	179.3	-85.6	-19	0	0	0	108.9	S398 K402	S398-D400 PolarHBondContact O-N 3.17Å; D400-K402 PolarHBondContact O-N 2.87Å
401	S	37.3	Very low	67.4	Low	124 Å²	124	79.7 Å²	79.7	87%	0.867	44%	0.444	S	S	*	.			trans	-75.9	69.2	174	43	0	0	0	0	108.9	L399	L399-S401 PolarHBondContact O-N 3.08Å; L399-S401 VanDerWaalsContact O-N 3.11Å
402	K	35.9	Very low	64.8	Low	190 Å²	190	86.3 Å²	86.3	83%	0.826	48%	0.481	S	S	*	.			trans	-116	82.4	163.7	-72.9	-173.2	179.3	177.8	0	107.9	D400	D400-K402 PolarHBondContact O-N 2.87Å
403	L	33.3	Very low	61.7	Low	247 Å²	247	94.2 Å²	94.2	100%	1.293	53%	0.525	S	S	*	.			trans	-87.7	0	147.8	-85.3	164.9	0	0	0	107.9

Retrieved 403 of 403 residues in 114.4 ms (Link to these results)

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