A0A087YPW4_POEFO Loading...

Phosphoethanolamine/phosphocholine phosphatase 1

AlphaFold DB , UniProt , Accession A0A087YPW4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 284 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	28.8	Very low	32.1	Very low	252 Å²	252	140.3 Å²	140.3	100%	1.241	80%	0.795	S	S	*	*				0	83.2	0	-78.1	167.3	172.6	0	0	106.9
2	G	28.3	Very low	32.4	Very low	69 Å²	69	135 Å²	135	71%	0.711	77%	0.77	S	S	*	*			trans	-131.9	107.5	168.7	0	0	0	0	0	103.8	S4	G2-S4 VanDerWaalsContact C-N 3.34Å; G2-S4 PolarHBondContact O-N 2.96Å
3	D	26.3	Very low	32.5	Very low	159 Å²	159	134 Å²	134	85%	0.85	77%	0.772	S	S	*	*			trans	-70.9	95.4	179.9	-71.1	-30.2	0	0	0	107.7	V5	D3-V5 PolarHBondContact O-N 3.36Å; D3-V5 VanDerWaalsContact O-N 3.11Å
4	S	32.4	Very low	32.7	Very low	99 Å²	99	136.6 Å²	136.6	69%	0.692	77%	0.774	S	S	*	*			trans	-67.4	103.2	166.8	55.6	0	0	0	0	107.6	G2 F6	G2-S4 VanDerWaalsContact C-N 3.34Å; G2-S4 PolarHBondContact O-N 2.96Å; S4-F6 PolarHBondContact O-N 3.03Å
5	V	33.1	Very low	32.9	Very low	129 Å²	129	135 Å²	135	78%	0.782	77%	0.771	S	S	*	*			trans	-73.8	60.8	174.3	-171.8	0	0	0	0	109.2	D3	D3-V5 PolarHBondContact O-N 3.36Å; D3-V5 VanDerWaalsContact O-N 3.11Å
6	F	40.3	Very low	32.8	Very low	140 Å²	140	134.7 Å²	134.7	61%	0.614	78%	0.775	S	S	*	*			trans	-143.7	77.7	177.7	-67	-68.5	0	0	0	109.6	S4	S4-F6 PolarHBondContact O-N 3.03Å
7	N	30	Very low	32.7	Very low	153 Å²	153	131 Å²	131	82%	0.818	77%	0.774	S	S	*	*			trans	-130.5	84	166.9	-141.8	19.3	0	0	0	107.4
8	C	30.8	Very low	32.4	Very low	109 Å²	109	135 Å²	135	74%	0.736	78%	0.783	S	S	*	*			trans	-107.5	72	176.6	-135.9	0	0	0	0	108.9
9	C	33.2	Very low	32.3	Very low	114 Å²	114	138.1 Å²	138.1	77%	0.77	79%	0.79	S	S	*	*			trans	-100.8	96.5	163.5	-66	0	0	0	0	108
10	Y	32.8	Very low	32.1	Very low	190 Å²	190	141.1 Å²	141.1	75%	0.745	80%	0.796	S	S	*	*			trans	-153	113.2	159.2	-165.5	-104	0	0	0	110.5	P12	Y10-P12 HydrophobicContact CD1-CB 4.45Å; Y10-P12 HydrophobicContact CD1-CG 4.19Å; Y10-P12 HydrophobicContact CE1-CB 3.73Å; Y10-P12 HydrophobicContact CE1-CG 3.9Å
11	V	36.8	Very low	32.1	Very low	129 Å²	129	143.4 Å²	143.4	78%	0.782	80%	0.801	S	S	*	*			trans	-113	108.8	169.1	-179.5	0	0	0	0	107.2
12	P	36.2	Very low	32	Very low	77 Å²	77	140.3 Å²	140.3	50%	0.5	78%	0.783	S	S	.	*	P	Polyproline II helix	trans	-81.6	153.8	169.7	27.2	-25.1	0	0	0	111.7	Y10	Y10-P12 HydrophobicContact CD1-CB 4.45Å; Y10-P12 HydrophobicContact CD1-CG 4.19Å; Y10-P12 HydrophobicContact CE1-CB 3.73Å; Y10-P12 HydrophobicContact CE1-CG 3.9Å
13	P	33.4	Very low	32.3	Very low	122 Å²	122	148.6 Å²	148.6	79%	0.792	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-74.8	148.9	178.3	30	-32.2	0	0	0	112.6
14	Q	35.8	Very low	32.5	Very low	170 Å²	170	146.9 Å²	146.9	79%	0.794	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-75.6	141	178.8	-66.3	-169.5	-28.3	0	0	112.8
15	P	34.9	Very low	32.3	Very low	113 Å²	113	153 Å²	153	73%	0.734	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-89.5	156.6	157.1	34.1	-28.4	0	0	0	111.4
16	P	32.3	Very low	32.6	Very low	130 Å²	130	156.4 Å²	156.4	84%	0.844	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-75.5	153.6	-178.5	31.2	-31.5	0	0	0	112.4
17	G	30.4	Very low	32.2	Very low	72 Å²	72	156.1 Å²	156.1	74%	0.742	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-78.5	169.3	-159	0	0	0	0	0	117.8
18	E	28.1	Very low	32.3	Very low	203 Å²	203	152.6 Å²	152.6	95%	0.949	82%	0.817	S	S	*	*			trans	-135	135.6	152.7	-71.6	-172.3	159.6	0	0	108.2
19	E	30.4	Very low	33	Very low	194 Å²	194	154 Å²	154	91%	0.907	82%	0.817	S	S	*	*			trans	-74.6	137.4	-177.5	-66.6	177.2	143.9	0	0	111
20	E	27.9	Very low	33.2	Very low	197 Å²	197	157.9 Å²	157.9	92%	0.921	83%	0.826	S	S	*	*			trans	-146.6	129.3	152	-125.9	175.2	-172.7	0	0	112.6
21	Q	31.3	Very low	33.5	Very low	191 Å²	191	151.5 Å²	151.5	89%	0.893	81%	0.812	S	S	*	*			trans	-76.8	126	-178.1	-68.6	170.9	-0.2	0	0	110.4
22	H	28.2	Very low	33.7	Very low	186 Å²	186	149.3 Å²	149.3	86%	0.861	80%	0.803	S	S	*	*			trans	-144	116	159.5	-139.5	-95.2	0	0	0	113.8
23	R	34.5	Very low	33.7	Very low	243 Å²	243	154.6 Å²	154.6	92%	0.917	82%	0.82	S	S	*	*			trans	-57.8	130.1	168.5	-78.1	173.6	166.4	179.6	-4.1	109.7
24	S	29.1	Very low	34.1	Very low	123 Å²	123	152.1 Å²	152.1	86%	0.86	81%	0.806	S	S	*	*			trans	-123.3	137.3	166.5	-167.2	0	0	0	0	112.4
25	R	30	Very low	34.9	Very low	229 Å²	229	148.6 Å²	148.6	86%	0.864	80%	0.8	S	S	*	*			trans	-81.8	141.7	-166.6	-73.5	169.7	162.5	171.6	-6	111.1	T27	R25-T27 PolarHBondContact O-N 2.91Å
26	H	38.2	Very low	36	Very low	200 Å²	200	148.7 Å²	148.7	93%	0.926	80%	0.803	S	S	*	*			trans	-47.2	121.5	166.6	-84.2	-73.3	0	0	0	112.5
27	T	32.5	Very low	37.6	Very low	133 Å²	133	143.8 Å²	143.8	82%	0.816	77%	0.77	S	S	*	*			trans	-124.1	127.6	160.4	43.1	0	0	0	0	109.8	R25	R25-T27 PolarHBondContact O-N 2.91Å
28	G	32.7	Very low	39.5	Very low	79 Å²	79	142.2 Å²	142.2	81%	0.814	75%	0.747	S	S	*	*			trans	-65.5	136.5	-163.1	0	0	0	0	0	115	M30	G28-M30 PolarHBondContact O-N 3.39Å
29	I	43.9	Very low	41.5	Very low	140 Å²	140	135.7 Å²	135.7	72%	0.718	72%	0.722	S	S	*	*			trans	-73.8	112.5	170.6	-61	167.9	0	0	0	107.8	A31	I29-A31 VanDerWaalsContact C-N 3.26Å; I29-A31 HydrophobicContact CG2-CB 4.17Å; I29-A31 PolarHBondContact O-N 3.5Å
30	M	38	Very low	43.9	Very low	195 Å²	195	131.3 Å²	131.3	96%	0.961	71%	0.705	S	S	*	*			trans	-75.4	85	162.2	-78.4	-160.6	160.1	0	0	108.9	G28 S32	G28-M30 PolarHBondContact O-N 3.39Å; M30-S32 PolarHBondContact O-N 3.5Å
31	A	39.4	Very low	46.6	Very low	55 Å²	55	122.5 Å²	122.5	46%	0.455	66%	0.664	S	S	.	*			trans	-80.4	110.1	167.3	0	0	0	0	0	108.7	I29 H33	I29-A31 VanDerWaalsContact C-N 3.26Å; I29-A31 HydrophobicContact CG2-CB 4.17Å; I29-A31 PolarHBondContact O-N 3.5Å; A31-H33 PolarHBondContact O-N 3.37Å
32	S	40	Very low	49.5	Very low	84 Å²	84	116 Å²	116	59%	0.587	63%	0.631	S	S	*	*			trans	-72.9	126.6	168.5	55.1	0	0	0	0	110.1	M30	M30-S32 PolarHBondContact O-N 3.5Å
33	H	37.1	Very low	52.7	Low	187 Å²	187	107.3 Å²	107.3	87%	0.866	59%	0.591	S	S	*	*			trans	29	95.2	174.7	-67.7	-68.8	0	0	0	118.3	A31 S35	A31-H33 PolarHBondContact O-N 3.37Å; H33-S35 PolarHBondContact O-N 2.89Å
34	S	41.9	Very low	55.7	Low	70 Å²	70	95.7 Å²	95.7	49%	0.49	55%	0.547	S	S	.	.			trans	-77.7	107.2	165.9	-160.2	0	0	0	0	110.5	R161	S34-R161 PolarHBondContact OG-NH2 2.91Å
35	S	51.9	Low	59	Low	97 Å²	97	89.9 Å²	89.9	68%	0.678	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-57.4	134.6	141.1	45.5	0	0	0	0	107.1	H33 I37	H33-S35 PolarHBondContact O-N 2.89Å; S35-I37 PolarHBondContact O-N 3.11Å; S35-I37 VanDerWaalsContact O-N 3.12Å
36	S	58.8	Low	62.3	Low	114 Å²	114	79 Å²	79	80%	0.797	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-62.7	116.3	179.8	56.5	0	0	0	0	109	S38	S36-S38 PolarHBondContact O-N 3.4Å
37	I	65.4	Low	65.2	Low	28 Å²	28	69.4 Å²	69.4	14%	0.144	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-71.3	123.5	177.4	-46.3	-175.1	0	0	0	107.9	S35 K41 E134 H160	S35-I37 PolarHBondContact O-N 3.11Å; S35-I37 VanDerWaalsContact O-N 3.12Å; I37-K41 HydrophobicContact CG2-CG 4.41Å; I37-E134 HydrophobicContact CG2-CG 4.46Å; I37-E134 WeakPolarHBondContact CG2-OE2 3.47Å; I37-H160 HydrophobicContact CD1-CB 3.83Å
38	S	70.6	Confident	68.3	Low	39 Å²	39	63.2 Å²	63.2	27%	0.273	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-56.5	130	174.6	159.3	0	0	0	0	109.5	S36 D40	S36-S38 PolarHBondContact O-N 3.4Å; S38-D40 PolarHBondContact O-N 2.82Å; S38-D40 VanDerWaalsContact O-N 3.08Å; S38-D40 WeakPolarHBondContact OG-CB 3.41Å; S38-D40 PolarHBondContact OG-N 2.68Å; S38-D40 VanDerWaalsContact OG-N 3.1Å; S38-D40 PolarHBondContact OG-OD2 3.36Å
39	P	70.1	Confident	71.4	Confident	65 Å²	65	59.5 Å²	59.5	42%	0.422	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-8.3	176.3	29.6	-35.3	0	0	0	112.5	R209 R211	P39-R209 HydrophobicContact CB-CG 4.27Å; P39-R209 PolarHBondContact O-NE 2.77Å; P39-R209 VanDerWaalsContact O-NE 3.07Å; P39-R211 PolarHBondContact O-NH2 3.25Å
40	D	79.4	Confident	73.9	Confident	102 Å²	102	53.7 Å²	53.7	55%	0.545	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-9.8	-171.6	-55	-47.9	0	0	0	114.4	S38 R42 R211	S38-D40 PolarHBondContact O-N 2.82Å; S38-D40 VanDerWaalsContact O-N 3.08Å; S38-D40 WeakPolarHBondContact OG-CB 3.41Å; S38-D40 PolarHBondContact OG-N 2.68Å; S38-D40 VanDerWaalsContact OG-N 3.1Å; S38-D40 PolarHBondContact OG-OD2 3.36Å; D40-R42 PolarHBondContact O-N 3.06Å; D40-R211 PolarHBondContact O-NH2 2.65Å
41	K	84.9	Confident	76.8	Confident	12 Å²	12	47.6 Å²	47.6	5%	0.052	28%	0.283	C	S	.	.			trans	-52.4	126.4	175.5	-55.1	-53	178.5	-150.5	0	109.7	I37 S129 A130 E134 R209	I37-K41 HydrophobicContact CG2-CG 4.41Å; K41-S129 WeakPolarHBondContact CD-O 3.43Å; K41-S129 WeakPolarHBondContact CE-O 3.47Å; K41-S129 PolarHBondContact NZ-O 3.41Å; K41-A130 PolarHBondContact NZ-O 3.45Å; K41-E134 HydrophobicContact CB-CB 4.41Å; K41-E134 HydrophobicContact CG-CB 4.28Å; K41-R209 PolarHBondContact O-NH2 2.98Å
42	R	91.9	Very high	79.6	Confident	56 Å²	56	45 Å²	45	21%	0.211	26%	0.262	C	S	.	.			trans	-81.8	-32.5	-178.2	-60.4	-171.2	-67.7	155.7	-4.7	111.4	D40 D132 Q214 V282	D40-R42 PolarHBondContact O-N 3.06Å; R42-D132 IonicContact CZ-OD1 2.98Å; R42-D132 VanDerWaalsContact CZ-OD1 3.22Å; R42-D132 PolarHBondContact N-O 3.23Å; R42-D132 IonicContact NE-OD1 3.79Å; R42-D132 PolarHBondContact NE-OD1 3Å; R42-D132 IonicContact NH2-OD1 3.44Å; R42-D132 PolarHBondContact NH2-OD1 3.46Å; R42-D132 IonicContact NH2-OD2 2.9Å; R42-Q214 HydrophobicContact CB-CG 4.37Å; R42-Q214 PolarHBondContact O-N 3.26Å; R42-V282 PolarHBondContact NH2-O 3.09Å
43	F	96.3	Very high	82.4	Confident	2 Å²	2	41 Å²	41	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	156.7	-171	-51.1	-57.3	0	0	0	112.2	D132 F133 E134 Q214 R215 F217 V282	F43-D132 HydrophobicContact CD2-CB 4.21Å; F43-D132 PolarHBondContact N-O 3.28Å; F43-F133 HydrophobicContact CB-CD1 3.74Å; F43-F133 HydrophobicContact CB-CE1 3.91Å; F43-F133 HydrophobicContact CD2-CD1 4.25Å; F43-F133 AromaticContact CD2-CE1 3.82Å; F43-F133 HydrophobicContact CD2-CE1 3.82Å; F43-F133 HydrophobicContact CD2-CE2 4.49Å; F43-F133 AromaticContact CD2-CZ 3.94Å; F43-F133 HydrophobicContact CD2-CZ 3.94Å; F43-F133 HydrophobicContact CG-CD1 4.43Å; F43-F133 HydrophobicContact CG-CE1 4.17Å; F43-F133 WeakPolarHBondContact O-CA 3.38Å; F43-E134 PolarHBondContact O-N 2.98Å; F43-Q214 HydrophobicContact CD1-CB 4.07Å; F43-Q214 HydrophobicContact CE1-CB 3.78Å; F43-R215 HydrophobicContact CD1-CB 3.94Å; F43-R215 HydrophobicContact CD1-CG 4.43Å; F43-R215 HydrophobicContact CE1-CB 4.3Å; F43-R215 HydrophobicContact CE1-CG 4.29Å; F43-F217 HydrophobicContact CB-CD2 4.21Å; F43-F217 HydrophobicContact CB-CE2 3.63Å; F43-F217 HydrophobicContact CD1-CE2 4.05Å; F43-F217 HydrophobicContact CD1-CZ 4.36Å; F43-F217 HydrophobicContact CD2-CE2 4.47Å; F43-F217 AromaticContact CG-CE2 3.8Å; F43-F217 HydrophobicContact CG-CE2 3.8Å; F43-F217 HydrophobicContact CG-CZ 4.45Å; F43-V282 HydrophobicContact CE2-CG2 4.04Å
44	I	97.4	Very high	85.3	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136	168.8	-175.7	167.6	0	0	0	109.6	F46 E134 V136 Y201 Y213 R215 I216 F217	I44-F46 HydrophobicContact CD1-CE1 4.06Å; I44-F46 HydrophobicContact CD1-CE2 3.71Å; I44-F46 HydrophobicContact CD1-CZ 3.38Å; I44-F46 HydrophobicContact CG1-CD2 4.34Å; I44-F46 HydrophobicContact CG1-CE2 3.79Å; I44-F46 HydrophobicContact CG1-CZ 3.94Å; I44-F46 HydrophobicContact CG2-CE2 4.09Å; I44-E134 CarbonylContact C-O 3.59Å; I44-E134 WeakPolarHBondContact CA-O 3.42Å; I44-E134 HydrophobicContact CB-CB 4.4Å; I44-E134 HydrophobicContact CG1-CB 4.25Å; I44-V136 HydrophobicContact CD1-CG2 4.05Å; I44-V136 HydrophobicContact CG1-CG2 4.3Å; I44-Y201 HydrophobicContact CD1-CD1 3.68Å; I44-Y201 HydrophobicContact CD1-CE1 3.54Å; I44-Y213 HydrophobicContact CB-CD1 4Å; I44-Y213 HydrophobicContact CB-CD2 4.11Å; I44-Y213 HydrophobicContact CB-CE1 3.92Å; I44-Y213 HydrophobicContact CB-CE2 4.02Å; I44-Y213 HydrophobicContact CB-CG 4.08Å; I44-Y213 HydrophobicContact CD1-CE2 4.03Å; I44-Y213 HydrophobicContact CG2-CD1 4.11Å; I44-Y213 HydrophobicContact CG2-CD2 3.59Å; I44-Y213 HydrophobicContact CG2-CE1 4.42Å; I44-Y213 HydrophobicContact CG2-CE2 3.92Å; I44-Y213 HydrophobicContact CG2-CG 3.68Å; I44-R215 PolarHBondContact N-O 3.38Å; I44-I216 HydrophobicContact CG2-CB 4.15Å; I44-I216 HydrophobicContact CG2-CG1 3.75Å; I44-I216 HydrophobicContact CG2-CG2 4.06Å; I44-F217 WeakPolarHBondContact O-CD2 3.11Å; I44-F217 PolarHBondContact O-N 3.42Å
45	I	98.4	Very high	87.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127	176.5	-175.6	164.4	0	0	0	110.5	F47 L125 F133 E134 V135 V136 F217 V219 L278	I45-F47 HydrophobicContact CB-CE2 4.35Å; I45-F47 HydrophobicContact CD1-CE1 4.49Å; I45-F47 HydrophobicContact CD1-CE2 3.67Å; I45-F47 HydrophobicContact CD1-CZ 3.57Å; I45-F47 HydrophobicContact CG1-CD2 4.14Å; I45-F47 HydrophobicContact CG1-CE2 3.56Å; I45-F47 HydrophobicContact CG1-CZ 3.95Å; I45-F47 HydrophobicContact CG2-CE2 3.95Å; I45-L125 HydrophobicContact CG2-CD1 4.39Å; I45-L125 HydrophobicContact CG2-CD2 4.37Å; I45-F133 HydrophobicContact CG2-CD1 4.3Å; I45-E134 PolarHBondContact N-O 3.41Å; I45-V135 HydrophobicContact CG2-CB 4.2Å; I45-V135 HydrophobicContact CG2-CG1 4.17Å; I45-V135 HydrophobicContact CG2-CG2 3.78Å; I45-V136 PolarHBondContact O-N 3.41Å; I45-F217 WeakPolarHBondContact CA-O 3.11Å; I45-F217 HydrophobicContact CB-CB 3.87Å; I45-F217 HydrophobicContact CB-CD2 4.24Å; I45-F217 HydrophobicContact CD1-CB 4.06Å; I45-F217 HydrophobicContact CG1-CB 3.71Å; I45-V219 HydrophobicContact CD1-CG2 3.85Å; I45-V219 HydrophobicContact CG1-CG2 4.11Å; I45-L278 HydrophobicContact CD1-CD1 4.12Å
46	F	98.8	Very high	89.7	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	140.9	175.6	-63	-85.6	0	0	0	109.9	I44 V136 V138 V198 Y201 V202 I216 F217 Y218 V219	I44-F46 HydrophobicContact CD1-CE1 4.06Å; I44-F46 HydrophobicContact CD1-CE2 3.71Å; I44-F46 HydrophobicContact CD1-CZ 3.38Å; I44-F46 HydrophobicContact CG1-CD2 4.34Å; I44-F46 HydrophobicContact CG1-CE2 3.79Å; I44-F46 HydrophobicContact CG1-CZ 3.94Å; I44-F46 HydrophobicContact CG2-CE2 4.09Å; F46-V136 CarbonylContact C-O 3.58Å; F46-V136 VanDerWaalsContact CA-O 3.29Å; F46-V136 WeakPolarHBondContact CA-O 3.29Å; F46-V136 HydrophobicContact CD1-CB 3.65Å; F46-V136 HydrophobicContact CD1-CG1 3.71Å; F46-V136 HydrophobicContact CD1-CG2 4.45Å; F46-V136 HydrophobicContact CE1-CB 3.84Å; F46-V136 HydrophobicContact CE1-CG1 3.75Å; F46-V136 HydrophobicContact CE1-CG2 4.21Å; F46-V138 HydrophobicContact CD1-CG2 3.68Å; F46-V138 HydrophobicContact CE1-CG2 4.27Å; F46-V198 HydrophobicContact CD1-CG2 4.05Å; F46-V198 HydrophobicContact CD2-CG1 4.29Å; F46-V198 HydrophobicContact CD2-CG2 4.43Å; F46-V198 HydrophobicContact CE1-CG2 4.15Å; F46-V198 HydrophobicContact CE2-CG1 3.89Å; F46-V198 HydrophobicContact CG-CG2 4.17Å; F46-V198 HydrophobicContact CZ-CB 4.47Å; F46-V198 HydrophobicContact CZ-CG1 4.06Å; F46-V198 HydrophobicContact CZ-CG2 4.37Å; F46-Y201 AromaticContact CE1-CD1 3.94Å; F46-Y201 HydrophobicContact CE1-CD1 3.94Å; F46-Y201 AromaticContact CZ-CD1 3.93Å; F46-Y201 HydrophobicContact CZ-CD1 3.93Å; F46-V202 HydrophobicContact CE2-CG2 3.9Å; F46-V202 HydrophobicContact CZ-CG2 3.77Å; F46-I216 HydrophobicContact CD2-CG2 3.95Å; F46-I216 HydrophobicContact CE2-CG2 3.78Å; F46-F217 PolarHBondContact N-O 3.2Å; F46-Y218 HydrophobicContact CB-CD2 3.65Å; F46-Y218 HydrophobicContact CB-CE2 4Å; F46-Y218 HydrophobicContact CB-CG 4.39Å; F46-Y218 HydrophobicContact CG-CD2 4.35Å; F46-V219 PolarHBondContact O-N 3.14Å
47	F	98.8	Very high	91.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.8	174.2	-72.2	-91	0	0	0	110.3	I45 I53 M118 L121 F122 L125 V135 V136 L137 V138 F159 V219	I45-F47 HydrophobicContact CB-CE2 4.35Å; I45-F47 HydrophobicContact CD1-CE1 4.49Å; I45-F47 HydrophobicContact CD1-CE2 3.67Å; I45-F47 HydrophobicContact CD1-CZ 3.57Å; I45-F47 HydrophobicContact CG1-CD2 4.14Å; I45-F47 HydrophobicContact CG1-CE2 3.56Å; I45-F47 HydrophobicContact CG1-CZ 3.95Å; I45-F47 HydrophobicContact CG2-CE2 3.95Å; F47-I53 HydrophobicContact CB-CD1 3.84Å; F47-I53 HydrophobicContact CB-CG1 4.24Å; F47-I53 HydrophobicContact CD1-CG1 4.36Å; F47-I53 HydrophobicContact CG-CD1 4.43Å; F47-M118 HydrophobicContact CD1-CE 4.49Å; F47-M118 HydrophobicContact CD1-SD 4.37Å; F47-M118 HydrophobicContact CE1-CE 4.26Å; F47-M118 HydrophobicContact CE1-SD 3.94Å; F47-L121 HydrophobicContact CE1-CD2 3.75Å; F47-L121 HydrophobicContact CZ-CD2 3.83Å; F47-L121 HydrophobicContact CZ-CG 4.35Å; F47-F122 HydrophobicContact CD1-CE1 4.42Å; F47-F122 HydrophobicContact CE1-CE1 4.18Å; F47-F122 HydrophobicContact CE2-CE1 4.43Å; F47-F122 HydrophobicContact CZ-CE1 4.19Å; F47-L125 HydrophobicContact CE2-CD1 3.74Å; F47-L125 HydrophobicContact CZ-CD1 3.69Å; F47-V135 HydrophobicContact CD2-CG1 3.97Å; F47-V135 HydrophobicContact CE2-CG1 3.88Å; F47-V136 PolarHBondContact N-O 2.91Å; F47-L137 CarbonylContact O-C 3.55Å; F47-L137 WeakPolarHBondContact O-CA 3.27Å; F47-V138 PolarHBondContact O-N 3.42Å; F47-F159 HydrophobicContact CB-CE1 4.42Å; F47-F159 HydrophobicContact CD2-CE1 4.2Å; F47-V219 WeakPolarHBondContact CA-O 3.45Å; F47-V219 HydrophobicContact CD1-CB 3.7Å; F47-V219 HydrophobicContact CD1-CG1 4.08Å; F47-V219 HydrophobicContact CD1-CG2 4.04Å; F47-V219 HydrophobicContact CE1-CB 3.83Å; F47-V219 HydrophobicContact CE1-CG1 4.06Å; F47-V219 HydrophobicContact CE1-CG2 3.71Å; F47-V219 HydrophobicContact CG-CB 4.42Å; F47-V219 HydrophobicContact CZ-CG2 4.12Å
48	D	98.6	Very high	91.8	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.016	13%	0.131	C	C	.	.			trans	-69.5	174	153.2	-163.7	20	0	0	0	111.1	T52 I53 S139 K194 V219 D225	D48-T52 HydrophobicContact CB-CG2 4.12Å; D48-T52 WeakPolarHBondContact O-CG2 3.4Å; D48-I53 WeakPolarHBondContact O-CD1 3.46Å; D48-I53 WeakPolarHBondContact O-CG1 3.37Å; D48-S139 WeakPolarHBondContact OD1-CA 3.16Å; D48-S139 WeakPolarHBondContact OD1-CB 3.44Å; D48-K194 IonicContact OD1-NZ 2.77Å; D48-K194 PolarHBondContact OD1-NZ 2.88Å; D48-K194 IonicContact OD2-NZ 3.21Å; D48-K194 PolarHBondContact OD2-NZ 2.9Å; D48-V219 PolarHBondContact N-O 2.8Å; D48-D225 WeakPolarHBondContact CB-OD2 3.43Å
49	F	98.3	Very high	92.4	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	13%	0.125	C	C	.	.			trans	-109.6	-70	179.1	-174.8	-110.7	0	0	0	113.1	T52 I53 V54 L137 S139 A141 I146 W149	F49-T52 PolarHBondContact O-N 2.94Å; F49-I53 HydrophobicContact CD2-CB 3.95Å; F49-I53 HydrophobicContact CD2-CD1 4.16Å; F49-I53 HydrophobicContact CD2-CG2 4.1Å; F49-I53 HydrophobicContact CE2-CB 4.42Å; F49-I53 HydrophobicContact CE2-CG2 4.11Å; F49-I53 PolarHBondContact O-N 3.24Å; F49-V54 HydrophobicContact CD1-CG2 4.14Å; F49-V54 HydrophobicContact CE1-CG1 4.27Å; F49-V54 HydrophobicContact CE1-CG2 3.92Å; F49-V54 HydrophobicContact CE2-CG1 3.86Å; F49-V54 HydrophobicContact CE2-CG2 4.5Å; F49-V54 HydrophobicContact CZ-CG1 3.63Å; F49-V54 HydrophobicContact CZ-CG2 4.11Å; F49-V54 WeakPolarHBondContact O-CG2 3.36Å; F49-V54 PolarHBondContact O-N 3.16Å; F49-V54 VanDerWaalsContact O-N 3.15Å; F49-L137 HydrophobicContact CB-CD2 4.3Å; F49-L137 HydrophobicContact CD2-CD1 4.22Å; F49-S139 WeakPolarHBondContact CB-OG 3.43Å; F49-A141 HydrophobicContact CD1-CB 4.4Å; F49-I146 HydrophobicContact CB-CD1 4.43Å; F49-I146 HydrophobicContact CB-CG1 4.26Å; F49-I146 HydrophobicContact CD1-CG1 3.73Å; F49-I146 HydrophobicContact CD2-CG1 4.13Å; F49-I146 HydrophobicContact CE1-CG1 4.07Å; F49-I146 HydrophobicContact CE2-CG1 4.45Å; F49-I146 HydrophobicContact CG-CD1 4.45Å; F49-I146 HydrophobicContact CG-CG1 3.76Å; F49-I146 HydrophobicContact CZ-CG1 4.42Å; F49-W149 HydrophobicContact CE2-CB 4.2Å; F49-W149 HydrophobicContact CE2-CD2 4.15Å; F49-W149 AromaticContact CE2-CE3 3.99Å; F49-W149 HydrophobicContact CE2-CE3 3.99Å; F49-W149 HydrophobicContact CE2-CG 4.23Å; F49-W149 HydrophobicContact CZ-CB 3.71Å; F49-W149 HydrophobicContact CZ-CD2 4.26Å; F49-W149 AromaticContact CZ-CG 3.88Å; F49-W149 HydrophobicContact CZ-CG 3.88Å
50	D	96.7	Very high	93.1	Very high	17 Å²	17	25 Å²	25	9%	0.091	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	137.1	-178.3	-58.2	-74.3	0	0	0	110.8	T52 S58 A141	D50-T52 PolarHBondContact O-N 3.49Å; D50-S58 WeakPolarHBondContact OD1-CA 3.41Å; D50-S58 WeakPolarHBondContact OD1-CB 3.47Å; D50-S58 PolarHBondContact OD1-N 2.9Å; D50-S58 PolarHBondContact OD1-OG 3.01Å; D50-A141 WeakPolarHBondContact OD2-CB 3.35Å
51	E	97.3	Very high	93.5	Very high	67 Å²	67	21.9 Å²	21.9	31%	0.313	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	7.9	-176.3	-59.2	-163.9	126.9	0	0	116.2	V54 E56 D221 R241 F244	E51-V54 CarbonylContact C-O 3.6Å; E51-V54 VanDerWaalsContact C-O 3.27Å; E51-V54 WeakPolarHBondContact CA-O 3.1Å; E51-V54 PolarHBondContact N-O 2.87Å; E51-V54 VanDerWaalsContact N-O 3.1Å; E51-E56 PolarHBondContact N-O 3.41Å; E51-D221 HydrophobicContact CB-CB 4.4Å; E51-D221 WeakPolarHBondContact CB-OD2 3.47Å; E51-R241 WeakPolarHBondContact O-CD 3.46Å; E51-R241 PolarHBondContact O-NH1 3.35Å; E51-F244 HydrophobicContact CB-CD1 4.44Å; E51-F244 HydrophobicContact CB-CE1 4.04Å; E51-F244 HydrophobicContact CG-CE1 4.36Å
52	T	98.4	Very high	93.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-59.6	178.7	-74.4	0	0	0	0	111.6	D48 F49 D50 V54 S115 M118 V219 G220 D221 W268	D48-T52 HydrophobicContact CB-CG2 4.12Å; D48-T52 WeakPolarHBondContact O-CG2 3.4Å; F49-T52 PolarHBondContact O-N 2.94Å; D50-T52 PolarHBondContact O-N 3.49Å; T52-V54 PolarHBondContact N-O 3.19Å; T52-S115 WeakPolarHBondContact O-CB 3.25Å; T52-S115 PolarHBondContact O-OG 3.34Å; T52-M118 WeakPolarHBondContact O-CE 3.34Å; T52-V219 HydrophobicContact CG2-CG1 4.09Å; T52-G220 VanDerWaalsContact OG1-C 3.28Å; T52-G220 VanDerWaalsContact OG1-CA 3.29Å; T52-G220 WeakPolarHBondContact OG1-CA 3.3Å; T52-D221 PolarHBondContact OG1-N 3.26Å; T52-D221 PolarHBondContact OG1-OD1 3.32Å; T52-W268 HydrophobicContact CG2-CZ2 4.31Å; T52-W268 WeakPolarHBondContact O-CH2 3.28Å
53	I	98.6	Very high	93.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-45.2	173.5	-70.3	175.6	0	0	0	110.1	F47 D48 F49 A114 S115 M118 F122 L137 W149 F159	F47-I53 HydrophobicContact CB-CD1 3.84Å; F47-I53 HydrophobicContact CB-CG1 4.24Å; F47-I53 HydrophobicContact CD1-CG1 4.36Å; F47-I53 HydrophobicContact CG-CD1 4.43Å; D48-I53 WeakPolarHBondContact O-CD1 3.46Å; D48-I53 WeakPolarHBondContact O-CG1 3.37Å; F49-I53 HydrophobicContact CD2-CB 3.95Å; F49-I53 HydrophobicContact CD2-CD1 4.16Å; F49-I53 HydrophobicContact CD2-CG2 4.1Å; F49-I53 HydrophobicContact CE2-CB 4.42Å; F49-I53 HydrophobicContact CE2-CG2 4.11Å; F49-I53 PolarHBondContact O-N 3.24Å; I53-A114 WeakPolarHBondContact O-CA 3.36Å; I53-S115 PolarHBondContact O-N 2.93Å; I53-S115 PolarHBondContact O-OG 2.66Å; I53-M118 HydrophobicContact CG2-CG 4.43Å; I53-F122 HydrophobicContact CB-CZ 4.4Å; I53-F122 HydrophobicContact CD1-CZ 3.87Å; I53-F122 HydrophobicContact CG1-CZ 3.78Å; I53-F122 HydrophobicContact CG2-CE2 3.91Å; I53-F122 HydrophobicContact CG2-CZ 3.86Å; I53-L137 HydrophobicContact CD1-CD1 3.63Å; I53-L137 HydrophobicContact CD1-CG 4.24Å; I53-W149 HydrophobicContact CG2-CE3 4.11Å; I53-W149 HydrophobicContact CG2-CH2 3.64Å; I53-W149 HydrophobicContact CG2-CZ2 4.44Å; I53-W149 HydrophobicContact CG2-CZ3 3.45Å; I53-W149 VanDerWaalsContact CG2-CZ3 3.45Å; I53-F159 HydrophobicContact CD1-CE1 4.17Å; I53-F159 HydrophobicContact CD1-CZ 3.77Å
54	V	97.9	Very high	93	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-99	149.1	174.8	-70	0	0	0	0	110	F49 E51 T52 E56 I112 P113 S115 W149	F49-V54 HydrophobicContact CD1-CG2 4.14Å; F49-V54 HydrophobicContact CE1-CG1 4.27Å; F49-V54 HydrophobicContact CE1-CG2 3.92Å; F49-V54 HydrophobicContact CE2-CG1 3.86Å; F49-V54 HydrophobicContact CE2-CG2 4.5Å; F49-V54 HydrophobicContact CZ-CG1 3.63Å; F49-V54 HydrophobicContact CZ-CG2 4.11Å; F49-V54 WeakPolarHBondContact O-CG2 3.36Å; F49-V54 PolarHBondContact O-N 3.16Å; F49-V54 VanDerWaalsContact O-N 3.15Å; E51-V54 CarbonylContact C-O 3.6Å; E51-V54 VanDerWaalsContact C-O 3.27Å; E51-V54 WeakPolarHBondContact CA-O 3.1Å; E51-V54 PolarHBondContact N-O 2.87Å; E51-V54 VanDerWaalsContact N-O 3.1Å; T52-V54 PolarHBondContact N-O 3.19Å; V54-E56 VanDerWaalsContact CG2-O 3.24Å; V54-E56 WeakPolarHBondContact CG2-O 3.11Å; V54-E56 PolarHBondContact O-N 3.35Å; V54-I112 HydrophobicContact CB-CG2 3.68Å; V54-I112 HydrophobicContact CG1-CB 4.4Å; V54-I112 HydrophobicContact CG1-CG2 4.01Å; V54-I112 HydrophobicContact CG2-CG2 4.32Å; V54-P113 CarbonylContact C-O 3.45Å; V54-P113 WeakPolarHBondContact CA-O 3.31Å; V54-S115 PolarHBondContact O-OG 3.06Å; V54-W149 HydrophobicContact CG1-CD2 3.75Å; V54-W149 HydrophobicContact CG1-CE3 4.48Å; V54-W149 HydrophobicContact CG1-CG 3.93Å; V54-W149 HydrophobicContact CG1-CZ2 3.85Å; V54-W149 VanDerWaalsContact CG1-NE1 3.32Å
55	D	95.2	Very high	92.6	Very high	56 Å²	56	24.5 Å²	24.5	30%	0.299	13%	0.128	S	C	.	.	S	Bend	trans	-87.1	12	-174.6	-150.7	23.4	0	0	0	114.2	P113 R241	D55-P113 HydrophobicContact CB-CB 4.49Å; D55-P113 HydrophobicContact CB-CG 4.12Å; D55-P113 PolarHBondContact N-O 3.25Å; D55-R241 IonicContact OD1-CZ 3.59Å; D55-R241 VanDerWaalsContact OD1-CZ 3.24Å; D55-R241 IonicContact OD1-NH1 2.6Å; D55-R241 PolarHBondContact OD1-NH1 2.9Å; D55-R241 IonicContact OD1-NH2 3.53Å; D55-R241 PolarHBondContact OD1-NH2 3.31Å
56	E	92.1	Very high	92.2	Very high	70 Å²	70	24.8 Å²	24.8	33%	0.327	13%	0.13	S	C	.	.	S	Bend	trans	-144.6	165.9	-179.1	-59.3	175.3	171.6	0	0	108.2	E51 V54 M61 I112 P113	E51-E56 PolarHBondContact N-O 3.41Å; V54-E56 VanDerWaalsContact CG2-O 3.24Å; V54-E56 WeakPolarHBondContact CG2-O 3.11Å; V54-E56 PolarHBondContact O-N 3.35Å; E56-M61 HydrophobicContact CB-CG 4.21Å; E56-M61 WeakPolarHBondContact OE2-CE 3.31Å; E56-M61 WeakPolarHBondContact OE2-CG 3.25Å; E56-I112 HydrophobicContact CB-CG2 3.94Å; E56-I112 HydrophobicContact CG-CG2 4.4Å; E56-P113 HydrophobicContact CG-CG 4.28Å
57	T	88.9	Confident	91.6	Very high	32 Å²	32	28 Å²	28	20%	0.196	15%	0.151	C	C	.	.			trans	-86.8	124.1	170.8	179	0	0	0	0	111	D59 D60 M61	T57-D59 PolarHBondContact O-N 3.12Å; T57-D59 VanDerWaalsContact O-N 3.17Å; T57-D60 HydrophobicContact CG2-CB 3.53Å; T57-D60 WeakPolarHBondContact CG2-OD2 3.43Å; T57-D60 PolarHBondContact O-N 3.34Å; T57-D60 VanDerWaalsContact O-N 3.16Å; T57-M61 WeakPolarHBondContact O-CG 3.13Å; T57-M61 PolarHBondContact O-N 3.38Å; T57-M61 VanDerWaalsContact O-N 3.12Å
58	S	80.1	Confident	91	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.8	-25.9	-179.3	62.1	0	0	0	0	112.8	D50 M61 V62	D50-S58 WeakPolarHBondContact OD1-CA 3.41Å; D50-S58 WeakPolarHBondContact OD1-CB 3.47Å; D50-S58 PolarHBondContact OD1-N 2.9Å; D50-S58 PolarHBondContact OD1-OG 3.01Å; S58-M61 PolarHBondContact O-N 2.86Å; S58-V62 PolarHBondContact O-N 2.9Å
59	D	82.9	Confident	90.6	Very high	25 Å²	25	37.4 Å²	37.4	13%	0.134	22%	0.216	C	C	.	.	H	α-helix	trans	-66.4	-44.4	175.1	-78.7	-29.2	0	0	0	113.6	T57 M61 V62 Y84 M88	T57-D59 PolarHBondContact O-N 3.12Å; T57-D59 VanDerWaalsContact O-N 3.17Å; D59-M61 VanDerWaalsContact C-N 3.29Å; D59-V62 WeakPolarHBondContact O-CG1 3.36Å; D59-Y84 HydrophobicContact CB-CE1 4.41Å; D59-Y84 WeakPolarHBondContact CB-OH 3.39Å; D59-Y84 VanDerWaalsContact CG-CE1 3.44Å; D59-Y84 VanDerWaalsContact CG-CZ 3.47Å; D59-Y84 PolarHBondContact OD1-OH 2.71Å; D59-Y84 WeakPolarHBondContact OD2-CE1 3.26Å; D59-Y84 VanDerWaalsContact OD2-CZ 3.29Å; D59-Y84 PolarHBondContact OD2-OH 3.36Å; D59-Y84 VanDerWaalsContact OD2-OH 3.11Å; D59-M88 HydrophobicContact CB-CE 4.31Å
60	D	83.8	Confident	90.2	Very high	81 Å²	81	43.8 Å²	43.8	43%	0.433	24%	0.241	S	C	.	.	H	α-helix	trans	-71.5	-33.2	173.9	-70.9	-17.9	0	0	0	110.4	T57 V62 V63	T57-D60 HydrophobicContact CG2-CB 3.53Å; T57-D60 WeakPolarHBondContact CG2-OD2 3.43Å; T57-D60 PolarHBondContact O-N 3.34Å; T57-D60 VanDerWaalsContact O-N 3.16Å; D60-V62 VanDerWaalsContact C-N 3.3Å; D60-V62 PolarHBondContact O-N 3.32Å; D60-V63 VanDerWaalsContact O-CB 3.29Å; D60-V63 WeakPolarHBondContact O-CB 3.31Å; D60-V63 PolarHBondContact O-N 3.09Å; D60-V63 VanDerWaalsContact O-N 3.11Å
61	M	87.9	Confident	90	Very high	38 Å²	38	43.1 Å²	43.1	19%	0.187	24%	0.237	C	C	.	.	H	α-helix	trans	-65.7	-32.8	178.8	-68.6	-54.3	-73.7	0	0	112.7	E56 T57 S58 D59 V63 Q64 I108 M109 I112	E56-M61 HydrophobicContact CB-CG 4.21Å; E56-M61 WeakPolarHBondContact OE2-CE 3.31Å; E56-M61 WeakPolarHBondContact OE2-CG 3.25Å; T57-M61 WeakPolarHBondContact O-CG 3.13Å; T57-M61 PolarHBondContact O-N 3.38Å; T57-M61 VanDerWaalsContact O-N 3.12Å; S58-M61 PolarHBondContact O-N 2.86Å; D59-M61 VanDerWaalsContact C-N 3.29Å; M61-V63 PolarHBondContact O-N 2.81Å; M61-Q64 HydrophobicContact CE-CG 4.36Å; M61-Q64 VanDerWaalsContact O-CB 3.22Å; M61-Q64 WeakPolarHBondContact O-CB 3.32Å; M61-Q64 WeakPolarHBondContact O-CG 3.47Å; M61-Q64 PolarHBondContact O-N 3.37Å; M61-Q64 HydrophobicContact SD-CG 4.29Å; M61-I108 HydrophobicContact CB-CG2 4.2Å; M61-I108 HydrophobicContact CE-CG2 4.48Å; M61-I108 VanDerWaalsContact O-CG2 3.26Å; M61-I108 WeakPolarHBondContact O-CG2 3.4Å; M61-M109 HydrophobicContact CB-CE 3.85Å; M61-I112 HydrophobicContact CB-CD1 3.87Å; M61-I112 HydrophobicContact CB-CG1 4.26Å; M61-I112 HydrophobicContact CE-CG1 4.37Å; M61-I112 HydrophobicContact CG-CD1 3.95Å; M61-I112 HydrophobicContact CG-CG1 4.04Å
62	V	87.1	Confident	89.8	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.8	-26	175.5	93.9	0	0	0	0	112.7	S58 D59 D60 Q64 A65 M88 V91 L92 L95 L105 F145	S58-V62 PolarHBondContact O-N 2.9Å; D59-V62 WeakPolarHBondContact O-CG1 3.36Å; D60-V62 VanDerWaalsContact C-N 3.3Å; D60-V62 PolarHBondContact O-N 3.32Å; V62-Q64 PolarHBondContact O-N 3.01Å; V62-A65 WeakPolarHBondContact O-CB 3.24Å; V62-A65 PolarHBondContact O-N 2.77Å; V62-M88 HydrophobicContact CG1-CE 3.56Å; V62-V91 HydrophobicContact CG1-CG1 4.26Å; V62-L92 HydrophobicContact CG2-CD2 4.13Å; V62-L95 HydrophobicContact CG1-CD1 4.31Å; V62-L95 HydrophobicContact CG2-CD1 3.87Å; V62-L105 HydrophobicContact CG2-CD2 3.58Å; V62-F145 HydrophobicContact CB-CE2 4.4Å; V62-F145 HydrophobicContact CB-CZ 4.1Å; V62-F145 HydrophobicContact CG2-CE1 4.31Å; V62-F145 HydrophobicContact CG2-CE2 4.44Å; V62-F145 HydrophobicContact CG2-CZ 3.67Å
63	V	88	Confident	89.5	Confident	30 Å²	30	42.8 Å²	42.8	18%	0.182	25%	0.247	C	C	.	.	H	α-helix	trans	-65	-25.6	177.1	178.8	0	0	0	0	111.8	D60 M61 A65 A66 L71	D60-V63 VanDerWaalsContact O-CB 3.29Å; D60-V63 WeakPolarHBondContact O-CB 3.31Å; D60-V63 PolarHBondContact O-N 3.09Å; D60-V63 VanDerWaalsContact O-N 3.11Å; M61-V63 PolarHBondContact O-N 2.81Å; V63-A65 PolarHBondContact O-N 3.02Å; V63-A65 VanDerWaalsContact O-N 3.11Å; V63-A66 VanDerWaalsContact O-CB 3.23Å; V63-A66 WeakPolarHBondContact O-CB 3.36Å; V63-A66 PolarHBondContact O-N 3.21Å; V63-L71 HydrophobicContact CG1-CD2 4.39Å; V63-L71 HydrophobicContact CG1-CG 3.87Å; V63-L71 HydrophobicContact CG2-CD1 3.87Å; V63-L71 HydrophobicContact CG2-CG 4.08Å
64	Q	88.9	Confident	89.3	Confident	78 Å²	78	50.2 Å²	50.2	36%	0.364	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.2	174.4	-57.9	-61.4	-30.8	0	0	112.8	M61 V62 A66 I108	M61-Q64 HydrophobicContact CE-CG 4.36Å; M61-Q64 VanDerWaalsContact O-CB 3.22Å; M61-Q64 WeakPolarHBondContact O-CB 3.32Å; M61-Q64 WeakPolarHBondContact O-CG 3.47Å; M61-Q64 PolarHBondContact O-N 3.37Å; M61-Q64 HydrophobicContact SD-CG 4.29Å; V62-Q64 PolarHBondContact O-N 3.01Å; Q64-A66 VanDerWaalsContact C-N 3.33Å; Q64-I108 HydrophobicContact CB-CD1 4.41Å; Q64-I108 HydrophobicContact CB-CG2 4.45Å
65	A	88.7	Confident	89	Confident	17 Å²	17	50.3 Å²	50.3	14%	0.14	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-18.2	174	0	0	0	0	0	113	V62 V63 L95 V100 L105 I108	V62-A65 WeakPolarHBondContact O-CB 3.24Å; V62-A65 PolarHBondContact O-N 2.77Å; V63-A65 PolarHBondContact O-N 3.02Å; V63-A65 VanDerWaalsContact O-N 3.11Å; A65-L95 HydrophobicContact CB-CD1 4.3Å; A65-L95 HydrophobicContact CB-CD2 4.32Å; A65-V100 HydrophobicContact CB-CG1 3.77Å; A65-V100 HydrophobicContact CB-CG2 4.31Å; A65-V100 WeakPolarHBondContact O-CG2 3.43Å; A65-L105 HydrophobicContact CB-CD2 3.9Å; A65-I108 HydrophobicContact CB-CD1 3.38Å
66	A	89.9	Confident	88.8	Confident	5 Å²	5	51.3 Å²	51.3	4%	0.041	28%	0.277	C	S	.	.	S	Bend	trans	-67.5	150.2	-178.2	0	0	0	0	0	111.2	V63 Q64 G68 Q69 L71 Y94 L95	V63-A66 VanDerWaalsContact O-CB 3.23Å; V63-A66 WeakPolarHBondContact O-CB 3.36Å; V63-A66 PolarHBondContact O-N 3.21Å; Q64-A66 VanDerWaalsContact C-N 3.33Å; A66-G68 PolarHBondContact O-N 2.99Å; A66-Q69 WeakPolarHBondContact O-CA 3.38Å; A66-Q69 PolarHBondContact O-N 3.19Å; A66-L71 HydrophobicContact CB-CD2 4.12Å; A66-Y94 HydrophobicContact CB-CE1 4.43Å; A66-L95 HydrophobicContact CB-CD2 3.71Å
67	P	85.5	Confident	88.8	Confident	67 Å²	67	54.6 Å²	54.6	44%	0.435	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-53	125.5	169.2	-25.4	34.3	0	0	0	111	Q69 Q98	P67-Q69 PolarHBondContact O-N 2.99Å; P67-Q98 HydrophobicContact CG-CB 3.72Å; P67-Q98 HydrophobicContact CG-CG 3.76Å
68	G	87.4	Confident	89	Confident	78 Å²	78	54.6 Å²	54.6	80%	0.804	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	66.2	15.6	-175.8	0	0	0	0	0	114.8	A66 Y70	A66-G68 PolarHBondContact O-N 2.99Å; G68-Y70 PolarHBondContact O-N 3.16Å
69	Q	89.5	Confident	89.5	Confident	124 Å²	124	59.1 Å²	59.1	58%	0.579	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	57.5	30.7	179.1	-59.1	172	-8.2	0	0	113.3	A66 P67	A66-Q69 WeakPolarHBondContact O-CA 3.38Å; A66-Q69 PolarHBondContact O-N 3.19Å; P67-Q69 PolarHBondContact O-N 2.99Å
70	Y	89.6	Confident	89.7	Confident	134 Å²	134	62.4 Å²	62.4	53%	0.525	33%	0.329	S	S	.	.			trans	-139.9	132.1	-174.2	-172.7	-95.9	0	0	0	111.9	G68 K76	G68-Y70 PolarHBondContact O-N 3.16Å; Y70-K76 PolarHBondContact OH-NZ 3.05Å; Y70-K76 VanDerWaalsContact OH-NZ 3.1Å
71	L	91.9	Very high	89.6	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.021	34%	0.339	C	S	.	.			trans	-82.6	136.4	171.3	-61.6	-178.7	0	0	0	111	V63 A66 L75 K76 V91 Y94	V63-L71 HydrophobicContact CG1-CD2 4.39Å; V63-L71 HydrophobicContact CG1-CG 3.87Å; V63-L71 HydrophobicContact CG2-CD1 3.87Å; V63-L71 HydrophobicContact CG2-CG 4.08Å; A66-L71 HydrophobicContact CB-CD2 4.12Å; L71-L75 HydrophobicContact CB-CD2 4.38Å; L71-L75 HydrophobicContact CD1-CD2 4.46Å; L71-L75 HydrophobicContact CD2-CD2 4.1Å; L71-K76 HydrophobicContact CB-CG 4.01Å; L71-K76 WeakPolarHBondContact O-CE 3.36Å; L71-V91 HydrophobicContact CD1-CG1 3.96Å; L71-V91 HydrophobicContact CD1-CG2 3.79Å; L71-V91 HydrophobicContact CD2-CG1 3.94Å; L71-Y94 HydrophobicContact CD2-CD1 4.08Å; L71-Y94 HydrophobicContact CD2-CE1 4.2Å
72	P	93.1	Very high	89	Confident	26 Å²	26	63.3 Å²	63.3	17%	0.169	35%	0.349	C	S	.	.			trans	-54.2	146	174.4	-25.3	33.8	0	0	0	112.9	W74 L75 K76 Y94	P72-W74 VanDerWaalsContact C-N 3.32Å; P72-W74 VanDerWaalsContact CB-CD1 3.4Å; P72-W74 HydrophobicContact CB-CD2 4.44Å; P72-W74 HydrophobicContact CB-CG 4.18Å; P72-W74 HydrophobicContact CG-CZ2 4.46Å; P72-W74 PolarHBondContact O-N 3.22Å; P72-L75 WeakPolarHBondContact O-CB 3.23Å; P72-L75 PolarHBondContact O-N 3.45Å; P72-K76 PolarHBondContact O-N 3.31Å; P72-Y94 VanDerWaalsContact CD-CZ 3.47Å; P72-Y94 HydrophobicContact CG-CE1 4.22Å; P72-Y94 HydrophobicContact CG-CE2 3.71Å; P72-Y94 WeakPolarHBondContact CG-OH 3.43Å
73	G	92.6	Very high	88.8	Confident	33 Å²	33	68.6 Å²	68.6	34%	0.34	37%	0.369	S	S	.	.	H	α-helix	trans	-55	-46.1	179.9	0	0	0	0	0	112.7	L75 K76 D77	G73-L75 PolarHBondContact O-N 2.99Å; G73-K76 PolarHBondContact O-N 3.18Å; G73-D77 PolarHBondContact O-N 3.33Å
74	W	93.7	Very high	88.6	Confident	157 Å²	157	69.6 Å²	69.6	60%	0.595	37%	0.37	S	S	*	.	H	α-helix	trans	-55.8	-28.7	178.2	69.2	-101.3	0	0	0	113.8	P72 T78 Y94	P72-W74 VanDerWaalsContact C-N 3.32Å; P72-W74 VanDerWaalsContact CB-CD1 3.4Å; P72-W74 HydrophobicContact CB-CD2 4.44Å; P72-W74 HydrophobicContact CB-CG 4.18Å; P72-W74 HydrophobicContact CG-CZ2 4.46Å; P72-W74 PolarHBondContact O-N 3.22Å; W74-T78 WeakPolarHBondContact O-CG2 3.37Å; W74-Y94 HydrophobicContact CZ2-CD2 4.1Å; W74-Y94 HydrophobicContact CZ2-CE2 4.48Å
75	L	93.2	Very high	88.4	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-82.4	-43.3	179.1	177	59.7	0	0	0	110.6	L71 P72 G73 D77 T78 Y87 R90 V91 Y94	L71-L75 HydrophobicContact CB-CD2 4.38Å; L71-L75 HydrophobicContact CD1-CD2 4.46Å; L71-L75 HydrophobicContact CD2-CD2 4.1Å; P72-L75 WeakPolarHBondContact O-CB 3.23Å; P72-L75 PolarHBondContact O-N 3.45Å; G73-L75 PolarHBondContact O-N 2.99Å; L75-D77 VanDerWaalsContact C-N 3.29Å; L75-D77 PolarHBondContact O-N 3.23Å; L75-T78 WeakPolarHBondContact O-CB 3.33Å; L75-T78 WeakPolarHBondContact O-CG2 3.2Å; L75-T78 PolarHBondContact O-N 3.1Å; L75-T78 VanDerWaalsContact O-N 3.13Å; L75-T78 PolarHBondContact O-OG1 3.06Å; L75-Y87 WeakPolarHBondContact O-CE2 3.48Å; L75-R90 HydrophobicContact CD1-CB 3.79Å; L75-V91 HydrophobicContact CD2-CG2 4.25Å; L75-V91 HydrophobicContact CG-CG2 4.38Å; L75-Y94 HydrophobicContact CD2-CD1 3.9Å; L75-Y94 HydrophobicContact CD2-CG 3.83Å
76	K	90.3	Very high	88.3	Confident	78 Å²	78	69.8 Å²	69.8	34%	0.339	37%	0.369	S	S	.	.	H	α-helix	trans	-58.3	-42.4	176	-67.8	-178.4	173.8	-175.2	0	111.8	Y70 L71 P72 G73 T78 Y79	Y70-K76 PolarHBondContact OH-NZ 3.05Å; Y70-K76 VanDerWaalsContact OH-NZ 3.1Å; L71-K76 HydrophobicContact CB-CG 4.01Å; L71-K76 WeakPolarHBondContact O-CE 3.36Å; P72-K76 PolarHBondContact O-N 3.31Å; G73-K76 PolarHBondContact O-N 3.18Å; K76-T78 PolarHBondContact O-N 3.35Å; K76-Y79 PolarHBondContact O-N 3.42Å; K76-Y79 VanDerWaalsContact O-N 3.16Å
77	D	92.6	Very high	88.4	Confident	138 Å²	138	70.9 Å²	70.9	74%	0.738	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-9.5	-179.5	-63.3	-19.6	0	0	0	113.3	G73 L75	G73-D77 PolarHBondContact O-N 3.33Å; L75-D77 VanDerWaalsContact C-N 3.29Å; L75-D77 PolarHBondContact O-N 3.23Å
78	T	92.7	Very high	88.7	Confident	33 Å²	33	68 Å²	68	20%	0.202	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-8.2	179.2	79.9	0	0	0	0	114.2	W74 L75 K76 R90	W74-T78 WeakPolarHBondContact O-CG2 3.37Å; L75-T78 WeakPolarHBondContact O-CB 3.33Å; L75-T78 WeakPolarHBondContact O-CG2 3.2Å; L75-T78 PolarHBondContact O-N 3.1Å; L75-T78 VanDerWaalsContact O-N 3.13Å; L75-T78 PolarHBondContact O-OG1 3.06Å; K76-T78 PolarHBondContact O-N 3.35Å; T78-R90 VanDerWaalsContact O-CZ 3.3Å; T78-R90 PolarHBondContact O-NH1 3.44Å; T78-R90 VanDerWaalsContact O-NH1 3.1Å; T78-R90 PolarHBondContact O-NH2 3.28Å; T78-R90 PolarHBondContact OG1-NH1 3.03Å; T78-R90 PolarHBondContact OG1-NH2 3.47Å
79	Y	89.8	Confident	88.9	Confident	95 Å²	95	66.9 Å²	66.9	37%	0.373	33%	0.327	S	S	.	.			trans	-60.2	137	176.5	172.8	-107.3	0	0	0	111.5	K76 Y84 Y87	K76-Y79 PolarHBondContact O-N 3.42Å; K76-Y79 VanDerWaalsContact O-N 3.16Å; Y79-Y84 HydrophobicContact CD2-CD2 4.45Å; Y79-Y84 AromaticContact CE2-CD2 3.93Å; Y79-Y84 HydrophobicContact CE2-CD2 3.93Å; Y79-Y87 HydrophobicContact CD2-CD1 4.24Å; Y79-Y87 HydrophobicContact CD2-CG 4.09Å
80	Q	86.8	Confident	89.1	Confident	93 Å²	93	64.9 Å²	64.9	44%	0.435	31%	0.314	S	S	.	.			trans	-131	135.4	174.2	-66.7	178.5	17.8	0	0	108.7	G82 R83	Q80-G82 PolarHBondContact O-N 3.04Å; Q80-R83 HydrophobicContact CB-CB 4.22Å; Q80-R83 PolarHBondContact O-N 3.11Å; Q80-R83 VanDerWaalsContact O-N 3.09Å
81	P	81.8	Confident	89.3	Confident	98 Å²	98	58.5 Å²	58.5	64%	0.636	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	135.8	175.1	-26.3	34.8	0	0	0	111.8	R83	P81-R83 PolarHBondContact O-N 3.25Å
82	G	76.4	Confident	89.4	Confident	40 Å²	40	58.5 Å²	58.5	41%	0.412	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	-11.9	-179.2	0	0	0	0	0	115.6	Q80	Q80-G82 PolarHBondContact O-N 3.04Å
83	R	83.3	Confident	89.4	Confident	111 Å²	111	57.9 Å²	57.9	42%	0.419	29%	0.286	S	S	.	.			trans	-110.8	40.2	179.7	-61.8	-170.5	174.4	-168.4	1.2	112.8	Q80 P81 N85 E86 Y87	Q80-R83 HydrophobicContact CB-CB 4.22Å; Q80-R83 PolarHBondContact O-N 3.11Å; Q80-R83 VanDerWaalsContact O-N 3.09Å; P81-R83 PolarHBondContact O-N 3.25Å; R83-N85 VanDerWaalsContact C-N 3.35Å; R83-N85 PolarHBondContact O-N 3.04Å; R83-E86 HydrophobicContact CB-CB 4.44Å; R83-E86 IonicContact NH1-OE2 2.72Å; R83-E86 PolarHBondContact O-N 3.04Å; R83-Y87 PolarHBondContact O-N 3.19Å; R83-Y87 VanDerWaalsContact O-N 3.15Å
84	Y	82.8	Confident	89.5	Confident	52 Å²	52	57.5 Å²	57.5	20%	0.204	28%	0.275	C	S	.	.	H	α-helix	trans	-60.3	-43	-176.1	-173.9	-97.3	0	0	0	112.6	D59 Y79 E86 Y87 M88	D59-Y84 HydrophobicContact CB-CE1 4.41Å; D59-Y84 WeakPolarHBondContact CB-OH 3.39Å; D59-Y84 VanDerWaalsContact CG-CE1 3.44Å; D59-Y84 VanDerWaalsContact CG-CZ 3.47Å; D59-Y84 PolarHBondContact OD1-OH 2.71Å; D59-Y84 WeakPolarHBondContact OD2-CE1 3.26Å; D59-Y84 VanDerWaalsContact OD2-CZ 3.29Å; D59-Y84 PolarHBondContact OD2-OH 3.36Å; D59-Y84 VanDerWaalsContact OD2-OH 3.11Å; Y79-Y84 HydrophobicContact CD2-CD2 4.45Å; Y79-Y84 AromaticContact CE2-CD2 3.93Å; Y79-Y84 HydrophobicContact CE2-CD2 3.93Å; Y84-E86 VanDerWaalsContact C-N 3.33Å; Y84-E86 PolarHBondContact O-N 3.4Å; Y84-Y87 HydrophobicContact CE2-CD1 4.19Å; Y84-Y87 WeakPolarHBondContact O-CA 3.18Å; Y84-Y87 WeakPolarHBondContact O-CB 3.36Å; Y84-Y87 PolarHBondContact O-N 3.11Å; Y84-Y87 VanDerWaalsContact O-N 3.13Å; Y84-M88 HydrophobicContact CD1-CG 3.94Å; Y84-M88 HydrophobicContact CE1-CB 4.43Å; Y84-M88 HydrophobicContact CE1-CG 3.21Å; Y84-M88 HydrophobicContact CE1-SD 4.2Å; Y84-M88 HydrophobicContact CE2-CG 4.17Å; Y84-M88 HydrophobicContact CE2-SD 4.42Å; Y84-M88 PolarHBondContact O-N 3.45Å; Y84-M88 VanDerWaalsContact OH-CG 3.27Å; Y84-M88 WeakPolarHBondContact OH-CG 3.38Å; Y84-M88 PolarHBondContact OH-SD 2.88Å
85	N	85	Confident	89.6	Confident	14 Å²	14	50.1 Å²	50.1	8%	0.075	25%	0.247	C	C	.	.	H	α-helix	trans	-60.8	-39.9	179.1	-162.9	-62	0	0	0	112.5	R83 M88 Q89 N191	R83-N85 VanDerWaalsContact C-N 3.35Å; R83-N85 PolarHBondContact O-N 3.04Å; N85-M88 PolarHBondContact O-N 2.93Å; N85-Q89 WeakPolarHBondContact O-CG 3.45Å; N85-Q89 PolarHBondContact O-N 3.16Å; N85-N191 HydrophobicContact CB-CB 4.02Å; N85-N191 PolarHBondContact ND2-ND2 3.1Å
86	E	87.7	Confident	89.7	Confident	85 Å²	85	51.6 Å²	51.6	40%	0.397	26%	0.259	S	S	.	.	H	α-helix	trans	-66.3	-39.2	175.1	-64.9	178.3	-154.2	0	0	112.2	R83 Y84 Q89 R90	R83-E86 HydrophobicContact CB-CB 4.44Å; R83-E86 IonicContact NH1-OE2 2.72Å; R83-E86 PolarHBondContact O-N 3.04Å; Y84-E86 VanDerWaalsContact C-N 3.33Å; Y84-E86 PolarHBondContact O-N 3.4Å; E86-Q89 PolarHBondContact O-N 3.07Å; E86-R90 PolarHBondContact O-N 3.44Å; E86-R90 PolarHBondContact O-NE 3.23Å; E86-R90 VanDerWaalsContact O-NE 3.16Å
87	Y	90.9	Very high	89.8	Confident	28 Å²	28	54.8 Å²	54.8	11%	0.11	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-50.6	171.1	172.8	-103.4	0	0	0	111.6	L75 Y79 R83 Y84 Q89 R90 V91	L75-Y87 WeakPolarHBondContact O-CE2 3.48Å; Y79-Y87 HydrophobicContact CD2-CD1 4.24Å; Y79-Y87 HydrophobicContact CD2-CG 4.09Å; R83-Y87 PolarHBondContact O-N 3.19Å; R83-Y87 VanDerWaalsContact O-N 3.15Å; Y84-Y87 HydrophobicContact CE2-CD1 4.19Å; Y84-Y87 WeakPolarHBondContact O-CA 3.18Å; Y84-Y87 WeakPolarHBondContact O-CB 3.36Å; Y84-Y87 PolarHBondContact O-N 3.11Å; Y84-Y87 VanDerWaalsContact O-N 3.13Å; Y87-Q89 VanDerWaalsContact C-N 3.29Å; Y87-Q89 PolarHBondContact O-N 3.2Å; Y87-R90 VanDerWaalsContact CA-NH2 3.27Å; Y87-R90 WeakPolarHBondContact O-CB 3.44Å; Y87-R90 PolarHBondContact O-N 3.31Å; Y87-V91 HydrophobicContact CD1-CG2 4.3Å; Y87-V91 HydrophobicContact CE1-CG2 3.82Å; Y87-V91 HydrophobicContact CE2-CG2 4.09Å; Y87-V91 PolarHBondContact O-N 3.08Å
88	M	91.7	Very high	90	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.03	26%	0.26	C	S	.	.	H	α-helix	trans	-64.1	-32.6	179.4	-71.2	-51.7	-76.5	0	0	113.6	D59 V62 Y84 N85 R90 V91 L92 L177	D59-M88 HydrophobicContact CB-CE 4.31Å; V62-M88 HydrophobicContact CG1-CE 3.56Å; Y84-M88 HydrophobicContact CD1-CG 3.94Å; Y84-M88 HydrophobicContact CE1-CB 4.43Å; Y84-M88 HydrophobicContact CE1-CG 3.21Å; Y84-M88 HydrophobicContact CE1-SD 4.2Å; Y84-M88 HydrophobicContact CE2-CG 4.17Å; Y84-M88 HydrophobicContact CE2-SD 4.42Å; Y84-M88 PolarHBondContact O-N 3.45Å; Y84-M88 VanDerWaalsContact OH-CG 3.27Å; Y84-M88 WeakPolarHBondContact OH-CG 3.38Å; Y84-M88 PolarHBondContact OH-SD 2.88Å; N85-M88 PolarHBondContact O-N 2.93Å; M88-R90 VanDerWaalsContact C-N 3.26Å; M88-R90 PolarHBondContact O-N 3.25Å; M88-V91 PolarHBondContact O-N 2.89Å; M88-V91 HydrophobicContact SD-CB 4.32Å; M88-V91 HydrophobicContact SD-CG2 4.23Å; M88-L92 WeakPolarHBondContact O-CB 3.15Å; M88-L92 WeakPolarHBondContact O-CG 3.39Å; M88-L92 PolarHBondContact O-N 3.27Å; M88-L177 HydrophobicContact CB-CD1 3.89Å
89	Q	91.7	Very high	90	Very high	55 Å²	55	53.6 Å²	53.6	26%	0.257	28%	0.277	S	S	.	.	H	α-helix	trans	-61.2	-34.6	171.8	-78.5	-171.2	88.6	0	0	113.1	N85 E86 Y87 A93 R174 L177	N85-Q89 WeakPolarHBondContact O-CG 3.45Å; N85-Q89 PolarHBondContact O-N 3.16Å; E86-Q89 PolarHBondContact O-N 3.07Å; Y87-Q89 VanDerWaalsContact C-N 3.29Å; Y87-Q89 PolarHBondContact O-N 3.2Å; Q89-A93 WeakPolarHBondContact O-CB 3.2Å; Q89-A93 PolarHBondContact O-N 3.3Å; Q89-A93 VanDerWaalsContact O-N 3.1Å; Q89-R174 PolarHBondContact O-NH2 3.37Å; Q89-L177 HydrophobicContact CG-CB 3.82Å; Q89-L177 HydrophobicContact CG-CD1 4.25Å; Q89-L177 HydrophobicContact CG-CG 4.22Å; Q89-L177 PolarHBondContact OE1-O 3.46Å
90	R	93.6	Very high	90.3	Very high	81 Å²	81	50 Å²	50	31%	0.306	27%	0.265	S	S	.	.	H	α-helix	trans	-73.3	-40.2	175.4	-69.2	171.7	-73.9	-178.8	9.7	111.3	L75 T78 E86 Y87 M88 A93 Y94	L75-R90 HydrophobicContact CD1-CB 3.79Å; T78-R90 VanDerWaalsContact O-CZ 3.3Å; T78-R90 PolarHBondContact O-NH1 3.44Å; T78-R90 VanDerWaalsContact O-NH1 3.1Å; T78-R90 PolarHBondContact O-NH2 3.28Å; T78-R90 PolarHBondContact OG1-NH1 3.03Å; T78-R90 PolarHBondContact OG1-NH2 3.47Å; E86-R90 PolarHBondContact O-N 3.44Å; E86-R90 PolarHBondContact O-NE 3.23Å; E86-R90 VanDerWaalsContact O-NE 3.16Å; Y87-R90 VanDerWaalsContact CA-NH2 3.27Å; Y87-R90 WeakPolarHBondContact O-CB 3.44Å; Y87-R90 PolarHBondContact O-N 3.31Å; M88-R90 VanDerWaalsContact C-N 3.26Å; M88-R90 PolarHBondContact O-N 3.25Å; R90-A93 VanDerWaalsContact O-CB 3.32Å; R90-A93 WeakPolarHBondContact O-CB 3.32Å; R90-A93 PolarHBondContact O-N 3.41Å; R90-Y94 PolarHBondContact O-N 2.6Å
91	V	94	Very high	90.6	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-59	-50.6	173.5	176.6	0	0	0	0	111.1	V62 L71 L75 Y87 M88 A93 Y94 L95	V62-V91 HydrophobicContact CG1-CG1 4.26Å; L71-V91 HydrophobicContact CD1-CG1 3.96Å; L71-V91 HydrophobicContact CD1-CG2 3.79Å; L71-V91 HydrophobicContact CD2-CG1 3.94Å; L75-V91 HydrophobicContact CD2-CG2 4.25Å; L75-V91 HydrophobicContact CG-CG2 4.38Å; Y87-V91 HydrophobicContact CD1-CG2 4.3Å; Y87-V91 HydrophobicContact CE1-CG2 3.82Å; Y87-V91 HydrophobicContact CE2-CG2 4.09Å; Y87-V91 PolarHBondContact O-N 3.08Å; M88-V91 PolarHBondContact O-N 2.89Å; M88-V91 HydrophobicContact SD-CB 4.32Å; M88-V91 HydrophobicContact SD-CG2 4.23Å; V91-A93 VanDerWaalsContact C-N 3.26Å; V91-A93 PolarHBondContact O-N 3.46Å; V91-Y94 WeakPolarHBondContact O-CB 3.38Å; V91-Y94 PolarHBondContact O-N 3.39Å; V91-Y94 VanDerWaalsContact O-N 3.16Å; V91-L95 HydrophobicContact CG1-CD1 4.19Å; V91-L95 HydrophobicContact CG1-CG 4.42Å; V91-L95 WeakPolarHBondContact O-CG 3.4Å; V91-L95 PolarHBondContact O-N 2.96Å
92	L	94.1	Very high	91.3	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-64.1	-30.1	177.9	-68.2	170.3	0	0	0	112.9	V62 M88 L95 A96 F145 L175 L177	V62-L92 HydrophobicContact CG2-CD2 4.13Å; M88-L92 WeakPolarHBondContact O-CB 3.15Å; M88-L92 WeakPolarHBondContact O-CG 3.39Å; M88-L92 PolarHBondContact O-N 3.27Å; L92-L95 HydrophobicContact CD2-CD1 4.44Å; L92-A96 PolarHBondContact O-N 3.38Å; L92-F145 HydrophobicContact CD2-CZ 4.36Å; L92-L175 HydrophobicContact CD1-CB 4.3Å; L92-L175 HydrophobicContact CD1-CD2 4.1Å; L92-L175 HydrophobicContact CD1-CG 4.22Å; L92-L175 HydrophobicContact CD2-CB 4.37Å; L92-L175 HydrophobicContact CD2-CD2 4.11Å; L92-L177 HydrophobicContact CD1-CD1 3.76Å; L92-L177 HydrophobicContact CD1-CD2 3.98Å; L92-L177 HydrophobicContact CD1-CG 3.7Å
93	A	93.7	Very high	92.2	Very high	13 Å²	13	49.9 Å²	49.9	11%	0.107	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-51.7	171.8	0	0	0	0	0	111.1	Q89 R90 V91 L95 A96 E97	Q89-A93 WeakPolarHBondContact O-CB 3.2Å; Q89-A93 PolarHBondContact O-N 3.3Å; Q89-A93 VanDerWaalsContact O-N 3.1Å; R90-A93 VanDerWaalsContact O-CB 3.32Å; R90-A93 WeakPolarHBondContact O-CB 3.32Å; R90-A93 PolarHBondContact O-N 3.41Å; V91-A93 VanDerWaalsContact C-N 3.26Å; V91-A93 PolarHBondContact O-N 3.46Å; A93-L95 VanDerWaalsContact C-N 3.35Å; A93-L95 PolarHBondContact O-N 2.95Å; A93-A96 PolarHBondContact O-N 2.77Å; A93-E97 WeakPolarHBondContact O-CG 2.94Å; A93-E97 PolarHBondContact O-N 3.21Å
94	Y	95	Very high	92.8	Very high	25 Å²	25	48.1 Å²	48.1	10%	0.098	26%	0.258	C	S	.	.	H	α-helix	trans	-58.7	-46.5	179.1	168.6	-102	0	0	0	111.2	A66 L71 P72 W74 L75 R90 V91 A96 E97 Q98	A66-Y94 HydrophobicContact CB-CE1 4.43Å; L71-Y94 HydrophobicContact CD2-CD1 4.08Å; L71-Y94 HydrophobicContact CD2-CE1 4.2Å; P72-Y94 VanDerWaalsContact CD-CZ 3.47Å; P72-Y94 HydrophobicContact CG-CE1 4.22Å; P72-Y94 HydrophobicContact CG-CE2 3.71Å; P72-Y94 WeakPolarHBondContact CG-OH 3.43Å; W74-Y94 HydrophobicContact CZ2-CD2 4.1Å; W74-Y94 HydrophobicContact CZ2-CE2 4.48Å; L75-Y94 HydrophobicContact CD2-CD1 3.9Å; L75-Y94 HydrophobicContact CD2-CG 3.83Å; R90-Y94 PolarHBondContact O-N 2.6Å; V91-Y94 WeakPolarHBondContact O-CB 3.38Å; V91-Y94 PolarHBondContact O-N 3.39Å; V91-Y94 VanDerWaalsContact O-N 3.16Å; Y94-A96 VanDerWaalsContact C-N 3.32Å; Y94-A96 PolarHBondContact O-N 3.1Å; Y94-E97 WeakPolarHBondContact O-CB 3.33Å; Y94-E97 PolarHBondContact O-N 2.77Å; Y94-E97 VanDerWaalsContact O-N 3.09Å; Y94-Q98 HydrophobicContact CD1-CG 4.35Å; Y94-Q98 HydrophobicContact CD2-CG 4.18Å; Y94-Q98 HydrophobicContact CE1-CG 3.87Å; Y94-Q98 HydrophobicContact CE2-CG 3.68Å; Y94-Q98 HydrophobicContact CG-CG 4.5Å; Y94-Q98 WeakPolarHBondContact O-CG 3.43Å; Y94-Q98 PolarHBondContact O-N 3.41Å
95	L	94.7	Very high	93.4	Very high	2 Å²	2	46 Å²	46	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-58.3	-44	177.9	-66.4	177.6	0	0	0	111.8	V62 A65 A66 V91 L92 A93 E97 Q98 G99 V100 L105	V62-L95 HydrophobicContact CG1-CD1 4.31Å; V62-L95 HydrophobicContact CG2-CD1 3.87Å; A65-L95 HydrophobicContact CB-CD1 4.3Å; A65-L95 HydrophobicContact CB-CD2 4.32Å; A66-L95 HydrophobicContact CB-CD2 3.71Å; V91-L95 HydrophobicContact CG1-CD1 4.19Å; V91-L95 HydrophobicContact CG1-CG 4.42Å; V91-L95 WeakPolarHBondContact O-CG 3.4Å; V91-L95 PolarHBondContact O-N 2.96Å; L92-L95 HydrophobicContact CD2-CD1 4.44Å; A93-L95 VanDerWaalsContact C-N 3.35Å; A93-L95 PolarHBondContact O-N 2.95Å; L95-E97 VanDerWaalsContact C-N 3.33Å; L95-E97 PolarHBondContact O-N 2.93Å; L95-Q98 CarbonylContact O-C 3.59Å; L95-Q98 PolarHBondContact O-N 3.05Å; L95-Q98 VanDerWaalsContact O-N 3.14Å; L95-G99 PolarHBondContact O-N 2.84Å; L95-V100 HydrophobicContact CB-CB 4.08Å; L95-V100 HydrophobicContact CB-CG2 4.06Å; L95-V100 HydrophobicContact CD2-CG2 4.21Å; L95-V100 VanDerWaalsContact O-CB 3.24Å; L95-V100 WeakPolarHBondContact O-CB 3.22Å; L95-V100 VanDerWaalsContact O-CG2 3.31Å; L95-V100 WeakPolarHBondContact O-CG2 3.25Å; L95-V100 PolarHBondContact O-N 3.25Å; L95-L105 HydrophobicContact CD1-CD2 4.24Å
96	A	94.5	Very high	93.9	Very high	31 Å²	31	49 Å²	49	26%	0.256	26%	0.26	S	S	.	.	H	α-helix	trans	-63	-38.9	175.9	0	0	0	0	0	112.2	L92 A93 Y94 Q98 G99 R174	L92-A96 PolarHBondContact O-N 3.38Å; A93-A96 PolarHBondContact O-N 2.77Å; Y94-A96 VanDerWaalsContact C-N 3.32Å; Y94-A96 PolarHBondContact O-N 3.1Å; A96-Q98 VanDerWaalsContact C-N 3.27Å; A96-Q98 PolarHBondContact O-N 3.08Å; A96-G99 PolarHBondContact O-N 2.55Å; A96-R174 HydrophobicContact CB-CB 3.8Å; A96-R174 HydrophobicContact CB-CG 4.13Å
97	E	94.1	Very high	94.3	Very high	145 Å²	145	47 Å²	47	68%	0.678	26%	0.255	S	S	*	.	H	α-helix	trans	-65.1	-29.5	174.5	-70.5	167.4	-170.7	0	0	112.8	A93 Y94 L95 G99	A93-E97 WeakPolarHBondContact O-CG 2.94Å; A93-E97 PolarHBondContact O-N 3.21Å; Y94-E97 WeakPolarHBondContact O-CB 3.33Å; Y94-E97 PolarHBondContact O-N 2.77Å; Y94-E97 VanDerWaalsContact O-N 3.09Å; L95-E97 VanDerWaalsContact C-N 3.33Å; L95-E97 PolarHBondContact O-N 2.93Å; E97-G99 PolarHBondContact O-N 2.83Å
98	Q	95	Very high	94.5	Very high	92 Å²	92	46.9 Å²	46.9	43%	0.43	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	4.5	173.1	-60.7	-49	-65.8	0	0	113.5	P67 Y94 L95 A96	P67-Q98 HydrophobicContact CG-CB 3.72Å; P67-Q98 HydrophobicContact CG-CG 3.76Å; Y94-Q98 HydrophobicContact CD1-CG 4.35Å; Y94-Q98 HydrophobicContact CD2-CG 4.18Å; Y94-Q98 HydrophobicContact CE1-CG 3.87Å; Y94-Q98 HydrophobicContact CE2-CG 3.68Å; Y94-Q98 HydrophobicContact CG-CG 4.5Å; Y94-Q98 WeakPolarHBondContact O-CG 3.43Å; Y94-Q98 PolarHBondContact O-N 3.41Å; L95-Q98 CarbonylContact O-C 3.59Å; L95-Q98 PolarHBondContact O-N 3.05Å; L95-Q98 VanDerWaalsContact O-N 3.14Å; A96-Q98 VanDerWaalsContact C-N 3.27Å; A96-Q98 PolarHBondContact O-N 3.08Å
99	G	93.9	Very high	94.7	Very high	54 Å²	54	46.7 Å²	46.7	56%	0.557	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	13	178.1	0	0	0	0	0	114.7	L95 A96 E97 T101	L95-G99 PolarHBondContact O-N 2.84Å; A96-G99 PolarHBondContact O-N 2.55Å; E97-G99 PolarHBondContact O-N 2.83Å; G99-T101 PolarHBondContact O-N 2.99Å
100	V	94.9	Very high	95	Very high	19 Å²	19	47 Å²	47	12%	0.115	26%	0.257	C	S	.	.			trans	-65	125.5	173.4	179.5	0	0	0	0	109.3	A65 L95 D104 L105	A65-V100 HydrophobicContact CB-CG1 3.77Å; A65-V100 HydrophobicContact CB-CG2 4.31Å; A65-V100 WeakPolarHBondContact O-CG2 3.43Å; L95-V100 HydrophobicContact CB-CB 4.08Å; L95-V100 HydrophobicContact CB-CG2 4.06Å; L95-V100 HydrophobicContact CD2-CG2 4.21Å; L95-V100 VanDerWaalsContact O-CB 3.24Å; L95-V100 WeakPolarHBondContact O-CB 3.22Å; L95-V100 VanDerWaalsContact O-CG2 3.31Å; L95-V100 WeakPolarHBondContact O-CG2 3.25Å; L95-V100 PolarHBondContact O-N 3.25Å; V100-D104 HydrophobicContact CG1-CB 3.92Å; V100-L105 HydrophobicContact CG1-CD2 3.75Å; V100-L105 HydrophobicContact CG1-CG 3.88Å
101	T	94.4	Very high	95.1	Very high	69 Å²	69	50.4 Å²	50.4	42%	0.423	27%	0.274	S	S	.	.			trans	-93	165.8	-176.6	71.8	0	0	0	0	112.3	G99 S103 D104 L105	G99-T101 PolarHBondContact O-N 2.99Å; T101-S103 PolarHBondContact O-N 3.36Å; T101-S103 PolarHBondContact OG1-N 2.95Å; T101-D104 WeakPolarHBondContact CB-OD2 3.35Å; T101-D104 PolarHBondContact N-OD2 3.23Å; T101-D104 PolarHBondContact O-N 3.49Å; T101-D104 VanDerWaalsContact O-N 3.16Å; T101-D104 PolarHBondContact OG1-N 3.14Å; T101-D104 PolarHBondContact OG1-OD2 3.37Å; T101-L105 PolarHBondContact O-N 3.49Å
102	E	95.7	Very high	95.2	Very high	79 Å²	79	50.7 Å²	50.7	37%	0.369	28%	0.275	S	S	.	.	H	α-helix	trans	-53.1	-39.3	168.8	174.6	175.3	162.9	0	0	112.1	D104 R106 F144 F169	E102-D104 VanDerWaalsContact C-N 3.34Å; E102-R106 VanDerWaalsContact O-CB 3.28Å; E102-R106 WeakPolarHBondContact O-CB 3.42Å; E102-R106 PolarHBondContact O-N 3.38Å; E102-R106 IonicContact OE1-CZ 3.05Å; E102-R106 IonicContact OE1-NH2 2.68Å; E102-R106 PolarHBondContact OE1-NH2 2.86Å; E102-F144 HydrophobicContact CG-CE2 3.85Å; E102-F144 HydrophobicContact CG-CZ 3.85Å; E102-F169 HydrophobicContact CB-CD1 4.31Å; E102-F169 HydrophobicContact CB-CD2 4.43Å; E102-F169 HydrophobicContact CB-CE1 3.73Å; E102-F169 HydrophobicContact CB-CE2 3.88Å; E102-F169 HydrophobicContact CB-CZ 3.5Å; E102-F169 HydrophobicContact CG-CD2 4.1Å; E102-F169 HydrophobicContact CG-CE1 4.23Å; E102-F169 HydrophobicContact CG-CE2 3.43Å; E102-F169 VanDerWaalsContact CG-CE2 3.43Å; E102-F169 HydrophobicContact CG-CZ 3.51Å; E102-F169 WeakPolarHBondContact OE2-CD2 3.47Å
103	S	95.4	Very high	95.4	Very high	81 Å²	81	53.3 Å²	53.3	57%	0.566	29%	0.292	S	S	*	.	H	α-helix	trans	-66.5	-37.5	-179.4	-173	0	0	0	0	111.9	T101 R106 S107	T101-S103 PolarHBondContact O-N 3.36Å; T101-S103 PolarHBondContact OG1-N 2.95Å; S103-R106 PolarHBondContact O-N 3.16Å; S103-S107 VanDerWaalsContact O-CB 3.3Å; S103-S107 WeakPolarHBondContact O-CB 3.45Å; S103-S107 PolarHBondContact O-N 3.34Å
104	D	95.1	Very high	95.6	Very high	74 Å²	74	54 Å²	54	40%	0.396	30%	0.298	S	S	.	.	H	α-helix	trans	-65.7	-49	178.6	-59	-46.2	0	0	0	110.4	V100 T101 E102 R106 S107 I108	V100-D104 HydrophobicContact CG1-CB 3.92Å; T101-D104 WeakPolarHBondContact CB-OD2 3.35Å; T101-D104 PolarHBondContact N-OD2 3.23Å; T101-D104 PolarHBondContact O-N 3.49Å; T101-D104 VanDerWaalsContact O-N 3.16Å; T101-D104 PolarHBondContact OG1-N 3.14Å; T101-D104 PolarHBondContact OG1-OD2 3.37Å; E102-D104 VanDerWaalsContact C-N 3.34Å; D104-R106 VanDerWaalsContact C-N 3.34Å; D104-R106 PolarHBondContact O-N 3.16Å; D104-S107 PolarHBondContact O-N 2.59Å; D104-I108 WeakPolarHBondContact O-CG1 3.22Å; D104-I108 PolarHBondContact O-N 2.76Å; D104-I108 VanDerWaalsContact O-N 3.08Å
105	L	95.8	Very high	95.7	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.037	29%	0.294	C	S	.	.	H	α-helix	trans	-58.7	-47	176.2	-62.9	177.5	0	0	0	111.1	V62 A65 L95 V100 T101 S107 I108 M109 F144 F169 L175	V62-L105 HydrophobicContact CG2-CD2 3.58Å; A65-L105 HydrophobicContact CB-CD2 3.9Å; L95-L105 HydrophobicContact CD1-CD2 4.24Å; V100-L105 HydrophobicContact CG1-CD2 3.75Å; V100-L105 HydrophobicContact CG1-CG 3.88Å; T101-L105 PolarHBondContact O-N 3.49Å; L105-S107 PolarHBondContact O-N 3.28Å; L105-I108 PolarHBondContact O-N 2.89Å; L105-M109 WeakPolarHBondContact O-CG 3.49Å; L105-M109 PolarHBondContact O-N 3.42Å; L105-F144 HydrophobicContact CB-CE1 3.81Å; L105-F144 HydrophobicContact CB-CZ 4.36Å; L105-F169 HydrophobicContact CD1-CE1 4.3Å; L105-F169 HydrophobicContact CD1-CZ 4.16Å; L105-L175 HydrophobicContact CD1-CD2 4.49Å
106	R	96.4	Very high	95.9	Very high	78 Å²	78	55.7 Å²	55.7	29%	0.294	31%	0.312	S	S	.	.	H	α-helix	trans	-58.1	-49	177.4	-175.1	-175.3	-59.6	-83.7	1.4	111.3	E102 S103 D104 I108 M109 E110 F144	E102-R106 VanDerWaalsContact O-CB 3.28Å; E102-R106 WeakPolarHBondContact O-CB 3.42Å; E102-R106 PolarHBondContact O-N 3.38Å; E102-R106 IonicContact OE1-CZ 3.05Å; E102-R106 IonicContact OE1-NH2 2.68Å; E102-R106 PolarHBondContact OE1-NH2 2.86Å; S103-R106 PolarHBondContact O-N 3.16Å; D104-R106 VanDerWaalsContact C-N 3.34Å; D104-R106 PolarHBondContact O-N 3.16Å; R106-I108 VanDerWaalsContact C-N 3.26Å; R106-I108 PolarHBondContact O-N 2.97Å; R106-M109 PolarHBondContact O-N 3.39Å; R106-E110 WeakPolarHBondContact CD-OE1 3.15Å; R106-E110 HydrophobicContact CG-CG 4.17Å; R106-E110 VanDerWaalsContact CG-OE1 3.25Å; R106-E110 WeakPolarHBondContact CG-OE1 3.3Å; R106-E110 WeakPolarHBondContact O-CB 3.15Å; R106-E110 VanDerWaalsContact O-CG 3.23Å; R106-E110 WeakPolarHBondContact O-CG 2.98Å; R106-E110 PolarHBondContact O-N 3.09Å; R106-F144 HydrophobicContact CB-CZ 4.01Å
107	S	95.9	Very high	96.1	Very high	42 Å²	42	55.2 Å²	55.2	29%	0.294	31%	0.311	S	S	.	.	H	α-helix	trans	-59.6	-35.5	-179.9	159.8	0	0	0	0	112.7	S103 D104 L105 K111	S103-S107 VanDerWaalsContact O-CB 3.3Å; S103-S107 WeakPolarHBondContact O-CB 3.45Å; S103-S107 PolarHBondContact O-N 3.34Å; D104-S107 PolarHBondContact O-N 2.59Å; L105-S107 PolarHBondContact O-N 3.28Å; S107-K111 WeakPolarHBondContact O-CD 3.34Å; S107-K111 VanDerWaalsContact O-CG 3.26Å; S107-K111 WeakPolarHBondContact O-CG 3.26Å; S107-K111 PolarHBondContact OG-NZ 3.05Å
108	I	95.1	Very high	96.3	Very high	26 Å²	26	48.3 Å²	48.3	13%	0.133	28%	0.279	C	S	.	.	H	α-helix	trans	-68.7	-51.6	175.2	-66.6	165.1	0	0	0	110	M61 Q64 A65 D104 L105 R106 E110 K111	M61-I108 HydrophobicContact CB-CG2 4.2Å; M61-I108 HydrophobicContact CE-CG2 4.48Å; M61-I108 VanDerWaalsContact O-CG2 3.26Å; M61-I108 WeakPolarHBondContact O-CG2 3.4Å; Q64-I108 HydrophobicContact CB-CD1 4.41Å; Q64-I108 HydrophobicContact CB-CG2 4.45Å; A65-I108 HydrophobicContact CB-CD1 3.38Å; D104-I108 WeakPolarHBondContact O-CG1 3.22Å; D104-I108 PolarHBondContact O-N 2.76Å; D104-I108 VanDerWaalsContact O-N 3.08Å; L105-I108 PolarHBondContact O-N 2.89Å; R106-I108 VanDerWaalsContact C-N 3.26Å; R106-I108 PolarHBondContact O-N 2.97Å; I108-E110 VanDerWaalsContact C-N 3.28Å; I108-E110 PolarHBondContact O-N 2.87Å; I108-K111 PolarHBondContact O-N 3.3Å; I108-K111 VanDerWaalsContact O-N 3.1Å
109	M	96.4	Very high	96.5	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-58.4	-41.4	-179.7	-65	-60.8	103.9	0	0	111.7	M61 L105 R106 K111 I112 F145 W149	M61-M109 HydrophobicContact CB-CE 3.85Å; L105-M109 WeakPolarHBondContact O-CG 3.49Å; L105-M109 PolarHBondContact O-N 3.42Å; R106-M109 PolarHBondContact O-N 3.39Å; M109-K111 PolarHBondContact O-N 3.11Å; M109-K111 VanDerWaalsContact O-N 3.16Å; M109-I112 HydrophobicContact CE-CD1 3.99Å; M109-I112 WeakPolarHBondContact O-CG1 3.4Å; M109-I112 PolarHBondContact O-N 3.31Å; M109-I112 HydrophobicContact SD-CD1 3.88Å; M109-F145 HydrophobicContact CG-CB 4.16Å; M109-F145 HydrophobicContact CG-CD1 3.65Å; M109-F145 HydrophobicContact CG-CE1 4.29Å; M109-F145 HydrophobicContact CG-CG 3.97Å; M109-F145 HydrophobicContact SD-CB 3.73Å; M109-F145 HydrophobicContact SD-CD1 3.65Å; M109-F145 HydrophobicContact SD-CD2 3.75Å; M109-F145 HydrophobicContact SD-CE1 4.21Å; M109-F145 HydrophobicContact SD-CE2 4.29Å; M109-F145 HydrophobicContact SD-CG 3.43Å; M109-F145 WeakPolarHBondContact SD-CG 3.35Å; M109-W149 VanDerWaalsContact O-CD1 3.24Å
110	E	96.6	Very high	96.7	Very high	61 Å²	61	47.6 Å²	47.6	29%	0.285	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-14.8	-179.5	-74.9	-174.7	-179.6	0	0	114.8	R106 I108 R152	R106-E110 WeakPolarHBondContact CD-OE1 3.15Å; R106-E110 HydrophobicContact CG-CG 4.17Å; R106-E110 VanDerWaalsContact CG-OE1 3.25Å; R106-E110 WeakPolarHBondContact CG-OE1 3.3Å; R106-E110 WeakPolarHBondContact O-CB 3.15Å; R106-E110 VanDerWaalsContact O-CG 3.23Å; R106-E110 WeakPolarHBondContact O-CG 2.98Å; R106-E110 PolarHBondContact O-N 3.09Å; I108-E110 VanDerWaalsContact C-N 3.28Å; I108-E110 PolarHBondContact O-N 2.87Å; E110-R152 HydrophobicContact CB-CB 4.12Å; E110-R152 HydrophobicContact CB-CG 3.83Å; E110-R152 HydrophobicContact CG-CB 3.68Å; E110-R152 HydrophobicContact CG-CG 3.92Å
111	K	95.9	Very high	96.8	Very high	154 Å²	154	46.7 Å²	46.7	67%	0.67	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-10.4	-179.5	-71.6	172.1	-169.9	176.6	0	113.8	S107 I108 M109	S107-K111 WeakPolarHBondContact O-CD 3.34Å; S107-K111 VanDerWaalsContact O-CG 3.26Å; S107-K111 WeakPolarHBondContact O-CG 3.26Å; S107-K111 PolarHBondContact OG-NZ 3.05Å; I108-K111 PolarHBondContact O-N 3.3Å; I108-K111 VanDerWaalsContact O-N 3.1Å; M109-K111 PolarHBondContact O-N 3.11Å; M109-K111 VanDerWaalsContact O-N 3.16Å
112	I	96.4	Very high	97	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.031	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-61	126.9	-179.1	-54.5	176.7	0	0	0	108.7	V54 E56 M61 M109 W149	V54-I112 HydrophobicContact CB-CG2 3.68Å; V54-I112 HydrophobicContact CG1-CB 4.4Å; V54-I112 HydrophobicContact CG1-CG2 4.01Å; V54-I112 HydrophobicContact CG2-CG2 4.32Å; E56-I112 HydrophobicContact CB-CG2 3.94Å; E56-I112 HydrophobicContact CG-CG2 4.4Å; M61-I112 HydrophobicContact CB-CD1 3.87Å; M61-I112 HydrophobicContact CB-CG1 4.26Å; M61-I112 HydrophobicContact CE-CG1 4.37Å; M61-I112 HydrophobicContact CG-CD1 3.95Å; M61-I112 HydrophobicContact CG-CG1 4.04Å; M109-I112 HydrophobicContact CE-CD1 3.99Å; M109-I112 WeakPolarHBondContact O-CG1 3.4Å; M109-I112 PolarHBondContact O-N 3.31Å; M109-I112 HydrophobicContact SD-CD1 3.88Å; I112-W149 PolarHBondContact O-NE1 2.87Å
113	P	97.4	Very high	97.1	Very high	59 Å²	59	45.4 Å²	45.4	38%	0.383	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-64.3	148.5	179.4	26.3	-33.8	0	0	0	111.3	V54 D55 E56	V54-P113 CarbonylContact C-O 3.45Å; V54-P113 WeakPolarHBondContact CA-O 3.31Å; D55-P113 HydrophobicContact CB-CB 4.49Å; D55-P113 HydrophobicContact CB-CG 4.12Å; D55-P113 PolarHBondContact N-O 3.25Å; E56-P113 HydrophobicContact CG-CG 4.28Å
114	A	98.3	Very high	97.2	Very high	28 Å²	28	42.6 Å²	42.6	23%	0.231	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-72.8	146.7	167.3	0	0	0	0	0	109.7	I53 L119 W149	I53-A114 WeakPolarHBondContact O-CA 3.36Å; A114-L119 HydrophobicContact CB-CD1 4.28Å; A114-L119 HydrophobicContact CB-CD2 4.23Å; A114-L119 HydrophobicContact CB-CG 3.86Å; A114-W149 HydrophobicContact CB-CH2 4.07Å; A114-W149 HydrophobicContact CB-CZ2 3.76Å
115	S	98.3	Very high	97.2	Very high	2 Å²	2	39 Å²	39	1%	0.014	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-57.5	148.9	171.1	-50	0	0	0	0	110.8	T52 I53 V54 G117 M118	T52-S115 WeakPolarHBondContact O-CB 3.25Å; T52-S115 PolarHBondContact O-OG 3.34Å; I53-S115 PolarHBondContact O-N 2.93Å; I53-S115 PolarHBondContact O-OG 2.66Å; V54-S115 PolarHBondContact O-OG 3.06Å; S115-G117 PolarHBondContact O-N 2.88Å; S115-M118 WeakPolarHBondContact O-CB 3.43Å; S115-M118 PolarHBondContact O-N 3.14Å
116	P	98.4	Very high	97.1	Very high	60 Å²	60	44.8 Å²	44.8	39%	0.39	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	127.9	-177.2	-30.1	35.9	0	0	0	112.8	M118 S270 G271	P116-M118 PolarHBondContact O-N 3.17Å; P116-M118 VanDerWaalsContact O-N 3.12Å; P116-S270 CarbonylContact O-C 3.54Å; P116-S270 VanDerWaalsContact O-CA 3.27Å; P116-S270 WeakPolarHBondContact O-CA 3.19Å; P116-S270 PolarHBondContact O-OG 2.97Å; P116-G271 PolarHBondContact O-N 3.19Å
117	G	98.4	Very high	96.9	Very high	22 Å²	22	47.4 Å²	47.4	23%	0.227	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	-1.1	179.1	0	0	0	0	0	116.2	S115 L119 T120 L121	S115-G117 PolarHBondContact O-N 2.88Å; G117-L119 PolarHBondContact O-N 2.93Å; G117-T120 WeakPolarHBondContact O-CB 3.31Å; G117-T120 PolarHBondContact O-N 3.43Å; G117-T120 VanDerWaalsContact O-N 3.15Å; G117-L121 PolarHBondContact O-N 3.39Å
118	M	98.6	Very high	96.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.8	-41.4	-175.4	-173.5	54.7	68.3	0	0	112.9	F47 T52 I53 S115 P116 T120 L121 F122 W268	F47-M118 HydrophobicContact CD1-CE 4.49Å; F47-M118 HydrophobicContact CD1-SD 4.37Å; F47-M118 HydrophobicContact CE1-CE 4.26Å; F47-M118 HydrophobicContact CE1-SD 3.94Å; T52-M118 WeakPolarHBondContact O-CE 3.34Å; I53-M118 HydrophobicContact CG2-CG 4.43Å; S115-M118 WeakPolarHBondContact O-CB 3.43Å; S115-M118 PolarHBondContact O-N 3.14Å; P116-M118 PolarHBondContact O-N 3.17Å; P116-M118 VanDerWaalsContact O-N 3.12Å; M118-T120 VanDerWaalsContact C-N 3.27Å; M118-T120 PolarHBondContact O-N 3.07Å; M118-L121 HydrophobicContact CE-CD2 4.35Å; M118-L121 WeakPolarHBondContact O-CB 3.46Å; M118-L121 PolarHBondContact O-N 2.92Å; M118-L121 VanDerWaalsContact O-N 3.14Å; M118-L121 HydrophobicContact SD-CB 4.44Å; M118-L121 HydrophobicContact SD-CD2 3.85Å; M118-L121 HydrophobicContact SD-CG 4.49Å; M118-F122 HydrophobicContact CG-CD2 4.41Å; M118-F122 HydrophobicContact CG-CE1 4.18Å; M118-F122 HydrophobicContact CG-CE2 3.88Å; M118-F122 HydrophobicContact CG-CZ 3.75Å; M118-F122 WeakPolarHBondContact O-CG 3.26Å; M118-F122 PolarHBondContact O-N 3.31Å; M118-F122 HydrophobicContact SD-CD1 4.25Å; M118-F122 HydrophobicContact SD-CE1 3.66Å; M118-F122 HydrophobicContact SD-CE2 4.45Å; M118-F122 HydrophobicContact SD-CZ 3.8Å; M118-W268 HydrophobicContact CE-CH2 4.23Å; M118-W268 HydrophobicContact CE-CZ3 4.5Å
119	L	98.3	Very high	95.4	Very high	73 Å²	73	50.4 Å²	50.4	38%	0.382	26%	0.257	S	S	.	.	H	α-helix	trans	-64	-33.9	175.5	-63.1	-176.5	0	0	0	112	A114 G117 F122 Q123 W149 V155	A114-L119 HydrophobicContact CB-CD1 4.28Å; A114-L119 HydrophobicContact CB-CD2 4.23Å; A114-L119 HydrophobicContact CB-CG 3.86Å; G117-L119 PolarHBondContact O-N 2.93Å; L119-F122 HydrophobicContact CD2-CD2 4.12Å; L119-F122 PolarHBondContact O-N 3.31Å; L119-Q123 WeakPolarHBondContact O-CG 3.4Å; L119-Q123 PolarHBondContact O-N 3.05Å; L119-W149 HydrophobicContact CD2-CH2 4.05Å; L119-V155 HydrophobicContact CD2-CG1 4.45Å
120	T	98.4	Very high	94.2	Very high	57 Å²	57	53.2 Å²	53.2	35%	0.35	28%	0.28	S	S	.	.	H	α-helix	trans	-67.4	-39.7	173.4	-47.3	0	0	0	0	111.3	G117 M118 F122 Q123 F124 E272 I275	G117-T120 WeakPolarHBondContact O-CB 3.31Å; G117-T120 PolarHBondContact O-N 3.43Å; G117-T120 VanDerWaalsContact O-N 3.15Å; M118-T120 VanDerWaalsContact C-N 3.27Å; M118-T120 PolarHBondContact O-N 3.07Å; T120-F122 VanDerWaalsContact C-N 3.34Å; T120-F122 PolarHBondContact O-N 3.16Å; T120-Q123 PolarHBondContact O-N 3.11Å; T120-F124 PolarHBondContact O-N 3.28Å; T120-E272 WeakPolarHBondContact CB-OE1 3.21Å; T120-E272 WeakPolarHBondContact CG2-OE1 3.43Å; T120-I275 HydrophobicContact CG2-CD1 4.02Å
121	L	98.6	Very high	93.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-43.1	173.1	172.5	59.6	0	0	0	111.2	F47 G117 M118 Q123 F124 L125 V274 I275 L278	F47-L121 HydrophobicContact CE1-CD2 3.75Å; F47-L121 HydrophobicContact CZ-CD2 3.83Å; F47-L121 HydrophobicContact CZ-CG 4.35Å; G117-L121 PolarHBondContact O-N 3.39Å; M118-L121 HydrophobicContact CE-CD2 4.35Å; M118-L121 WeakPolarHBondContact O-CB 3.46Å; M118-L121 PolarHBondContact O-N 2.92Å; M118-L121 VanDerWaalsContact O-N 3.14Å; M118-L121 HydrophobicContact SD-CB 4.44Å; M118-L121 HydrophobicContact SD-CD2 3.85Å; M118-L121 HydrophobicContact SD-CG 4.49Å; L121-Q123 PolarHBondContact O-N 3.35Å; L121-F124 HydrophobicContact CD1-CD1 4.32Å; L121-F124 WeakPolarHBondContact O-CB 3.43Å; L121-F124 PolarHBondContact O-N 3.06Å; L121-L125 HydrophobicContact CD1-CD1 4.12Å; L121-L125 HydrophobicContact CD1-CG 4.06Å; L121-L125 HydrophobicContact CG-CD1 4.15Å; L121-L125 WeakPolarHBondContact O-CB 3.2Å; L121-L125 WeakPolarHBondContact O-CG 3.4Å; L121-L125 PolarHBondContact O-N 3.06Å; L121-V274 HydrophobicContact CD1-CB 4.35Å; L121-V274 HydrophobicContact CD1-CG1 4.09Å; L121-V274 HydrophobicContact CD2-CB 3.89Å; L121-V274 HydrophobicContact CD2-CG1 3.87Å; L121-V274 HydrophobicContact CD2-CG2 4.33Å; L121-I275 HydrophobicContact CB-CD1 4.1Å; L121-I275 HydrophobicContact CB-CG1 3.99Å; L121-I275 HydrophobicContact CD1-CG1 3.57Å; L121-I275 HydrophobicContact CG-CG1 4.37Å; L121-L278 HydrophobicContact CD1-CD1 4.12Å
122	F	98.1	Very high	93	Very high	1 Å²	1	49.8 Å²	49.8	0%	0.004	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-38.7	174.6	-67.4	-18.9	0	0	0	113	F47 I53 M118 L119 T120 L125 R126 W149 V155 L158 F159	F47-F122 HydrophobicContact CD1-CE1 4.42Å; F47-F122 HydrophobicContact CE1-CE1 4.18Å; F47-F122 HydrophobicContact CE2-CE1 4.43Å; F47-F122 HydrophobicContact CZ-CE1 4.19Å; I53-F122 HydrophobicContact CB-CZ 4.4Å; I53-F122 HydrophobicContact CD1-CZ 3.87Å; I53-F122 HydrophobicContact CG1-CZ 3.78Å; I53-F122 HydrophobicContact CG2-CE2 3.91Å; I53-F122 HydrophobicContact CG2-CZ 3.86Å; M118-F122 HydrophobicContact CG-CD2 4.41Å; M118-F122 HydrophobicContact CG-CE1 4.18Å; M118-F122 HydrophobicContact CG-CE2 3.88Å; M118-F122 HydrophobicContact CG-CZ 3.75Å; M118-F122 WeakPolarHBondContact O-CG 3.26Å; M118-F122 PolarHBondContact O-N 3.31Å; M118-F122 HydrophobicContact SD-CD1 4.25Å; M118-F122 HydrophobicContact SD-CE1 3.66Å; M118-F122 HydrophobicContact SD-CE2 4.45Å; M118-F122 HydrophobicContact SD-CZ 3.8Å; L119-F122 HydrophobicContact CD2-CD2 4.12Å; L119-F122 PolarHBondContact O-N 3.31Å; T120-F122 VanDerWaalsContact C-N 3.34Å; T120-F122 PolarHBondContact O-N 3.16Å; F122-L125 HydrophobicContact CD1-CD1 4.44Å; F122-L125 PolarHBondContact O-N 3.19Å; F122-R126 WeakPolarHBondContact O-CB 3.39Å; F122-R126 VanDerWaalsContact O-CG 3.26Å; F122-R126 WeakPolarHBondContact O-CG 3.22Å; F122-R126 PolarHBondContact O-N 3.38Å; F122-W149 HydrophobicContact CE2-CZ3 4.38Å; F122-V155 HydrophobicContact CB-CG1 4.31Å; F122-V155 HydrophobicContact CD2-CB 4.08Å; F122-V155 HydrophobicContact CD2-CG1 3.91Å; F122-V155 HydrophobicContact CD2-CG2 4.06Å; F122-V155 HydrophobicContact CE2-CG2 4.12Å; F122-L158 HydrophobicContact CB-CD2 3.66Å; F122-L158 HydrophobicContact CD1-CD2 3.6Å; F122-L158 HydrophobicContact CE1-CD2 4.4Å; F122-L158 HydrophobicContact CG-CD2 3.73Å; F122-F159 AromaticContact CE1-CZ 3.8Å; F122-F159 HydrophobicContact CE1-CZ 3.8Å; F122-F159 HydrophobicContact CE2-CE2 4.44Å; F122-F159 HydrophobicContact CE2-CZ 4.31Å; F122-F159 HydrophobicContact CZ-CE2 4.17Å; F122-F159 AromaticContact CZ-CZ 3.61Å; F122-F159 HydrophobicContact CZ-CZ 3.61Å
123	Q	96.9	Very high	93	Very high	120 Å²	120	49.5 Å²	49.5	56%	0.561	27%	0.266	S	S	*	.	H	α-helix	trans	-63.2	-44.5	173.2	-71.1	171.4	17.5	0	0	111.6	L119 T120 L121 L125 R126 N127	L119-Q123 WeakPolarHBondContact O-CG 3.4Å; L119-Q123 PolarHBondContact O-N 3.05Å; T120-Q123 PolarHBondContact O-N 3.11Å; L121-Q123 PolarHBondContact O-N 3.35Å; Q123-L125 PolarHBondContact O-N 3.11Å; Q123-R126 PolarHBondContact O-N 3.02Å; Q123-N127 VanDerWaalsContact O-CG 3.29Å; Q123-N127 PolarHBondContact O-N 2.93Å; Q123-N127 PolarHBondContact O-ND2 2.83Å
124	F	96.9	Very high	92.9	Very high	22 Å²	22	46.7 Å²	46.7	10%	0.096	25%	0.247	C	C	.	.	H	α-helix	trans	-57.5	-48.3	173.9	169.6	-97.7	0	0	0	111.6	T120 L121 N127 R128 F133 I275 L278 R279	T120-F124 PolarHBondContact O-N 3.28Å; L121-F124 HydrophobicContact CD1-CD1 4.32Å; L121-F124 WeakPolarHBondContact O-CB 3.43Å; L121-F124 PolarHBondContact O-N 3.06Å; F124-N127 PolarHBondContact O-N 2.82Å; F124-R128 HydrophobicContact CE2-CG 4.24Å; F124-R128 HydrophobicContact CZ-CG 4.22Å; F124-R128 WeakPolarHBondContact O-CG 3.26Å; F124-R128 PolarHBondContact O-N 3.25Å; F124-F133 HydrophobicContact CE1-CE2 4.46Å; F124-I275 HydrophobicContact CB-CD1 4.13Å; F124-I275 HydrophobicContact CB-CG1 4.12Å; F124-I275 HydrophobicContact CD1-CG1 4.26Å; F124-I275 HydrophobicContact CD1-CG2 4.39Å; F124-I275 HydrophobicContact CD2-CG2 4.02Å; F124-I275 HydrophobicContact CE2-CG2 4.35Å; F124-I275 HydrophobicContact CG-CG1 4.2Å; F124-I275 HydrophobicContact CG-CG2 4.04Å; F124-L278 HydrophobicContact CE1-CB 3.91Å; F124-L278 HydrophobicContact CE1-CD1 4.14Å; F124-L278 HydrophobicContact CZ-CB 4.35Å; F124-R279 HydrophobicContact CD2-CG 4.48Å; F124-R279 HydrophobicContact CE2-CG 3.56Å; F124-R279 HydrophobicContact CZ-CG 3.79Å
125	L	96.4	Very high	92.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.8	-42.2	178.1	-71.1	173.7	0	0	0	111.5	I45 F47 L121 F122 Q123 N127 R128 S129 F133 V135 L158 L278	I45-L125 HydrophobicContact CG2-CD1 4.39Å; I45-L125 HydrophobicContact CG2-CD2 4.37Å; F47-L125 HydrophobicContact CE2-CD1 3.74Å; F47-L125 HydrophobicContact CZ-CD1 3.69Å; L121-L125 HydrophobicContact CD1-CD1 4.12Å; L121-L125 HydrophobicContact CD1-CG 4.06Å; L121-L125 HydrophobicContact CG-CD1 4.15Å; L121-L125 WeakPolarHBondContact O-CB 3.2Å; L121-L125 WeakPolarHBondContact O-CG 3.4Å; L121-L125 PolarHBondContact O-N 3.06Å; F122-L125 HydrophobicContact CD1-CD1 4.44Å; F122-L125 PolarHBondContact O-N 3.19Å; Q123-L125 PolarHBondContact O-N 3.11Å; L125-N127 VanDerWaalsContact C-N 3.32Å; L125-N127 PolarHBondContact O-N 3.1Å; L125-R128 CarbonylContact O-C 3.51Å; L125-R128 PolarHBondContact O-N 3.2Å; L125-R128 VanDerWaalsContact O-N 3.1Å; L125-S129 VanDerWaalsContact O-CA 3.3Å; L125-S129 WeakPolarHBondContact O-CA 3.23Å; L125-S129 WeakPolarHBondContact O-CB 3.34Å; L125-S129 PolarHBondContact O-N 3.25Å; L125-F133 HydrophobicContact CD2-CB 4.29Å; L125-F133 HydrophobicContact CD2-CD1 4.12Å; L125-F133 HydrophobicContact CD2-CD2 3.95Å; L125-F133 HydrophobicContact CD2-CE1 4.46Å; L125-F133 HydrophobicContact CD2-CE2 4.32Å; L125-F133 HydrophobicContact CD2-CG 3.86Å; L125-V135 HydrophobicContact CB-CG2 4.44Å; L125-V135 HydrophobicContact CD1-CG2 4.3Å; L125-L158 HydrophobicContact CB-CD1 4.14Å; L125-L158 HydrophobicContact CB-CD2 4.33Å; L125-L278 HydrophobicContact CD2-CD1 4.07Å
126	R	93.4	Very high	92.9	Very high	128 Å²	128	45.3 Å²	45.3	48%	0.483	24%	0.236	S	C	.	.	H	α-helix	trans	-59	-41.9	176.3	-78.4	176.4	69	158.9	1.9	112.5	F122 Q123 R128 S129 G154 L158	F122-R126 WeakPolarHBondContact O-CB 3.39Å; F122-R126 VanDerWaalsContact O-CG 3.26Å; F122-R126 WeakPolarHBondContact O-CG 3.22Å; F122-R126 PolarHBondContact O-N 3.38Å; Q123-R126 PolarHBondContact O-N 3.02Å; R126-R128 PolarHBondContact O-N 3.23Å; R126-S129 PolarHBondContact O-OG 3.33Å; R126-G154 PolarHBondContact NH1-O 2.87Å; R126-G154 VanDerWaalsContact NH1-O 3.16Å; R126-L158 HydrophobicContact CG-CB 4.28Å; R126-L158 HydrophobicContact CG-CD1 3.74Å; R126-L158 HydrophobicContact CG-CD2 4.32Å; R126-L158 HydrophobicContact CG-CG 4.33Å
127	N	91.8	Very high	92.9	Very high	132 Å²	132	42.4 Å²	42.4	71%	0.706	22%	0.217	S	C	*	.	H	α-helix	trans	-68.9	-21.1	179.3	-67.7	-17	0	0	0	112.5	Q123 F124 L125	Q123-N127 VanDerWaalsContact O-CG 3.29Å; Q123-N127 PolarHBondContact O-N 2.93Å; Q123-N127 PolarHBondContact O-ND2 2.83Å; F124-N127 PolarHBondContact O-N 2.82Å; L125-N127 VanDerWaalsContact C-N 3.32Å; L125-N127 PolarHBondContact O-N 3.1Å
128	R	86.2	Confident	92.9	Very high	107 Å²	107	41.4 Å²	41.4	40%	0.404	21%	0.206	S	C	.	.	H	α-helix	trans	-105.4	-19	179.1	-66.2	-69.6	-177.6	160	-3.3	113.6	F124 L125 R126 A130 H131 D132 F133	F124-R128 HydrophobicContact CE2-CG 4.24Å; F124-R128 HydrophobicContact CZ-CG 4.22Å; F124-R128 WeakPolarHBondContact O-CG 3.26Å; F124-R128 PolarHBondContact O-N 3.25Å; L125-R128 CarbonylContact O-C 3.51Å; L125-R128 PolarHBondContact O-N 3.2Å; L125-R128 VanDerWaalsContact O-N 3.1Å; R126-R128 PolarHBondContact O-N 3.23Å; R128-A130 PolarHBondContact O-N 3.25Å; R128-A130 VanDerWaalsContact O-N 3.14Å; R128-H131 PolarHBondContact O-N 3.05Å; R128-D132 HydrophobicContact CB-CB 4.48Å; R128-D132 IonicContact NH1-OD2 2.65Å; R128-D132 PolarHBondContact O-N 3.47Å; R128-F133 HydrophobicContact CB-CD2 3.87Å; R128-F133 HydrophobicContact CB-CE2 4.06Å
129	S	74.5	Confident	92.8	Very high	25 Å²	25	41.4 Å²	41.4	18%	0.175	21%	0.206	C	C	.	.	H	α-helix	trans	-65	-26.6	-166.8	64.3	0	0	0	0	111.1	K41 L125 R126 H131	K41-S129 WeakPolarHBondContact CD-O 3.43Å; K41-S129 WeakPolarHBondContact CE-O 3.47Å; K41-S129 PolarHBondContact NZ-O 3.41Å; L125-S129 VanDerWaalsContact O-CA 3.3Å; L125-S129 WeakPolarHBondContact O-CA 3.23Å; L125-S129 WeakPolarHBondContact O-CB 3.34Å; L125-S129 PolarHBondContact O-N 3.25Å; R126-S129 PolarHBondContact O-OG 3.33Å; S129-H131 PolarHBondContact O-N 3.25Å
130	A	70.7	Confident	92.6	Very high	60 Å²	60	39.1 Å²	39.1	50%	0.496	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.7	172.2	0	0	0	0	0	113.4	K41 R128	K41-A130 PolarHBondContact NZ-O 3.45Å; R128-A130 PolarHBondContact O-N 3.25Å; R128-A130 VanDerWaalsContact O-N 3.14Å
131	H	77.4	Confident	92.4	Very high	132 Å²	132	36.6 Å²	36.6	61%	0.611	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123	-39	-171.9	-55.2	-64.7	0	0	0	113.8	R128 S129	R128-H131 PolarHBondContact O-N 3.05Å; S129-H131 PolarHBondContact O-N 3.25Å
132	D	90.4	Very high	92.2	Very high	11 Å²	11	36.8 Å²	36.8	6%	0.059	18%	0.181	C	C	.	.	S	Bend	trans	-112.5	-45.2	-162.9	-68.8	-43.6	0	0	0	114.3	R42 F43 R128	R42-D132 IonicContact CZ-OD1 2.98Å; R42-D132 VanDerWaalsContact CZ-OD1 3.22Å; R42-D132 PolarHBondContact N-O 3.23Å; R42-D132 IonicContact NE-OD1 3.79Å; R42-D132 PolarHBondContact NE-OD1 3Å; R42-D132 IonicContact NH2-OD1 3.44Å; R42-D132 PolarHBondContact NH2-OD1 3.46Å; R42-D132 IonicContact NH2-OD2 2.9Å; F43-D132 HydrophobicContact CD2-CB 4.21Å; F43-D132 PolarHBondContact N-O 3.28Å; R128-D132 HydrophobicContact CB-CB 4.48Å; R128-D132 IonicContact NH1-OD2 2.65Å; R128-D132 PolarHBondContact O-N 3.47Å
133	F	94.7	Very high	92.2	Very high	1 Å²	1	39 Å²	39	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.1	-164.8	-62.6	-86.6	0	0	0	113.5	F43 I45 F124 L125 R128 V135 F217 L278 V282	F43-F133 HydrophobicContact CB-CD1 3.74Å; F43-F133 HydrophobicContact CB-CE1 3.91Å; F43-F133 HydrophobicContact CD2-CD1 4.25Å; F43-F133 AromaticContact CD2-CE1 3.82Å; F43-F133 HydrophobicContact CD2-CE1 3.82Å; F43-F133 HydrophobicContact CD2-CE2 4.49Å; F43-F133 AromaticContact CD2-CZ 3.94Å; F43-F133 HydrophobicContact CD2-CZ 3.94Å; F43-F133 HydrophobicContact CG-CD1 4.43Å; F43-F133 HydrophobicContact CG-CE1 4.17Å; F43-F133 WeakPolarHBondContact O-CA 3.38Å; I45-F133 HydrophobicContact CG2-CD1 4.3Å; F124-F133 HydrophobicContact CE1-CE2 4.46Å; L125-F133 HydrophobicContact CD2-CB 4.29Å; L125-F133 HydrophobicContact CD2-CD1 4.12Å; L125-F133 HydrophobicContact CD2-CD2 3.95Å; L125-F133 HydrophobicContact CD2-CE1 4.46Å; L125-F133 HydrophobicContact CD2-CE2 4.32Å; L125-F133 HydrophobicContact CD2-CG 3.86Å; R128-F133 HydrophobicContact CB-CD2 3.87Å; R128-F133 HydrophobicContact CB-CE2 4.06Å; F133-V135 HydrophobicContact CB-CG2 4.25Å; F133-F217 HydrophobicContact CD1-CD2 4.47Å; F133-F217 HydrophobicContact CD1-CE2 4.35Å; F133-F217 HydrophobicContact CE1-CD2 4.11Å; F133-F217 AromaticContact CE1-CE2 3.69Å; F133-F217 HydrophobicContact CE1-CE2 3.69Å; F133-L278 HydrophobicContact CE1-CD1 4.3Å; F133-L278 HydrophobicContact CE1-CD2 4.05Å; F133-L278 HydrophobicContact CZ-CB 4.37Å; F133-L278 HydrophobicContact CZ-CD1 4.34Å; F133-L278 HydrophobicContact CZ-CD2 4.32Å; F133-V282 HydrophobicContact CE2-CG2 3.77Å; F133-V282 HydrophobicContact CZ-CG2 3.59Å
134	E	96.1	Very high	92.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	123.7	154.2	-169.7	166.9	137.1	0	0	108.7	I37 K41 F43 I44 I45 V136 H160 Y201 R205 Y213	I37-E134 HydrophobicContact CG2-CG 4.46Å; I37-E134 WeakPolarHBondContact CG2-OE2 3.47Å; K41-E134 HydrophobicContact CB-CB 4.41Å; K41-E134 HydrophobicContact CG-CB 4.28Å; F43-E134 PolarHBondContact O-N 2.98Å; I44-E134 CarbonylContact C-O 3.59Å; I44-E134 WeakPolarHBondContact CA-O 3.42Å; I44-E134 HydrophobicContact CB-CB 4.4Å; I44-E134 HydrophobicContact CG1-CB 4.25Å; I45-E134 PolarHBondContact N-O 3.41Å; E134-V136 HydrophobicContact CG-CG2 4.36Å; E134-H160 HydrophobicContact CG-CB 4.38Å; E134-Y201 WeakPolarHBondContact OE1-CE1 3.47Å; E134-Y201 PolarHBondContact OE1-OH 2.84Å; E134-R205 IonicContact OE1-NE 3.75Å; E134-R205 PolarHBondContact OE1-NE 3.16Å; E134-R205 IonicContact OE2-CZ 2.77Å; E134-R205 VanDerWaalsContact OE2-CZ 3.29Å; E134-R205 IonicContact OE2-NE 3.06Å; E134-R205 PolarHBondContact OE2-NE 3.16Å; E134-R205 IonicContact OE2-NH2 3.34Å; E134-R205 PolarHBondContact OE2-NH2 2.97Å; E134-Y213 HydrophobicContact CB-CE1 4.47Å; E134-Y213 PolarHBondContact OE1-OH 3.12Å; E134-Y213 PolarHBondContact OE2-OH 2.85Å
135	V	97.3	Very high	92.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.1	-176.7	-173.6	0	0	0	0	109.9	I45 F47 L125 F133 L158 F159 H160	I45-V135 HydrophobicContact CG2-CB 4.2Å; I45-V135 HydrophobicContact CG2-CG1 4.17Å; I45-V135 HydrophobicContact CG2-CG2 3.78Å; F47-V135 HydrophobicContact CD2-CG1 3.97Å; F47-V135 HydrophobicContact CE2-CG1 3.88Å; L125-V135 HydrophobicContact CB-CG2 4.44Å; L125-V135 HydrophobicContact CD1-CG2 4.3Å; F133-V135 HydrophobicContact CB-CG2 4.25Å; V135-L158 HydrophobicContact CB-CD1 4.29Å; V135-L158 HydrophobicContact CB-CG 4.24Å; V135-L158 HydrophobicContact CG1-CD2 4.49Å; V135-L158 HydrophobicContact CG1-CG 4.09Å; V135-L158 HydrophobicContact CG2-CD1 3.84Å; V135-L158 HydrophobicContact CG2-CG 4.25Å; V135-F159 HydrophobicContact CG1-CD1 3.86Å; V135-F159 HydrophobicContact CG1-CE1 3.87Å; V135-H160 PolarHBondContact N-ND1 2.97Å; V135-H160 PolarHBondContact O-N 2.86Å; V135-H160 PolarHBondContact O-ND1 3.09Å
136	V	98.4	Very high	92.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140.7	-173.8	-176.7	0	0	0	0	109.9	I44 I45 F46 F47 E134 V138 R161 F163 Y201	I44-V136 HydrophobicContact CD1-CG2 4.05Å; I44-V136 HydrophobicContact CG1-CG2 4.3Å; I45-V136 PolarHBondContact O-N 3.41Å; F46-V136 CarbonylContact C-O 3.58Å; F46-V136 VanDerWaalsContact CA-O 3.29Å; F46-V136 WeakPolarHBondContact CA-O 3.29Å; F46-V136 HydrophobicContact CD1-CB 3.65Å; F46-V136 HydrophobicContact CD1-CG1 3.71Å; F46-V136 HydrophobicContact CD1-CG2 4.45Å; F46-V136 HydrophobicContact CE1-CB 3.84Å; F46-V136 HydrophobicContact CE1-CG1 3.75Å; F46-V136 HydrophobicContact CE1-CG2 4.21Å; F47-V136 PolarHBondContact N-O 2.91Å; E134-V136 HydrophobicContact CG-CG2 4.36Å; V136-V138 HydrophobicContact CG1-CG2 4.12Å; V136-R161 WeakPolarHBondContact CA-O 3.34Å; V136-R161 HydrophobicContact CG1-CB 4.2Å; V136-F163 HydrophobicContact CG1-CD2 3.73Å; V136-F163 HydrophobicContact CG1-CE2 3.73Å; V136-Y201 HydrophobicContact CG2-CD1 4.31Å; V136-Y201 HydrophobicContact CG2-CE1 3.6Å
137	L	98.8	Very high	92.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.6	172.6	-163.8	156.2	0	0	0	109.2	F47 F49 I53 I146 L150 F159 R161 I162 F163	F47-L137 CarbonylContact O-C 3.55Å; F47-L137 WeakPolarHBondContact O-CA 3.27Å; F49-L137 HydrophobicContact CB-CD2 4.3Å; F49-L137 HydrophobicContact CD2-CD1 4.22Å; I53-L137 HydrophobicContact CD1-CD1 3.63Å; I53-L137 HydrophobicContact CD1-CG 4.24Å; L137-I146 HydrophobicContact CD1-CG2 3.95Å; L137-I146 HydrophobicContact CD2-CD1 3.85Å; L137-I146 HydrophobicContact CD2-CG2 4.34Å; L137-L150 HydrophobicContact CD1-CD1 4.09Å; L137-L150 HydrophobicContact CD1-CD2 4.46Å; L137-F159 HydrophobicContact CB-CD1 3.65Å; L137-F159 HydrophobicContact CB-CE1 3.9Å; L137-F159 HydrophobicContact CB-CG 4.41Å; L137-F159 HydrophobicContact CD1-CD1 4.31Å; L137-F159 HydrophobicContact CD1-CE1 4.04Å; L137-F159 HydrophobicContact CD1-CZ 4.24Å; L137-F159 HydrophobicContact CG-CE1 4.36Å; L137-R161 PolarHBondContact N-O 3.11Å; L137-I162 HydrophobicContact CB-CG1 4.18Å; L137-I162 HydrophobicContact CB-CG2 4.42Å; L137-I162 HydrophobicContact CD2-CG2 4.17Å; L137-I162 CarbonylContact O-C 3.27Å; L137-I162 WeakPolarHBondContact O-CA 3.06Å; L137-F163 PolarHBondContact O-N 3.32Å
138	V	98.5	Very high	92.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	104.5	176.1	-175.4	0	0	0	0	107.8	F46 F47 V136 F163 M192 K194 V197 V198	F46-V138 HydrophobicContact CD1-CG2 3.68Å; F46-V138 HydrophobicContact CE1-CG2 4.27Å; F47-V138 PolarHBondContact O-N 3.42Å; V136-V138 HydrophobicContact CG1-CG2 4.12Å; V138-F163 WeakPolarHBondContact CA-O 3.45Å; V138-F163 HydrophobicContact CG2-CB 4.36Å; V138-F163 HydrophobicContact CG2-CD2 4.06Å; V138-M192 HydrophobicContact CG1-CE 3.58Å; V138-K194 HydrophobicContact CG1-CB 3.84Å; V138-K194 HydrophobicContact CG1-CD 4.18Å; V138-K194 HydrophobicContact CG1-CG 3.85Å; V138-V197 HydrophobicContact CG1-CB 4.14Å; V138-V197 HydrophobicContact CG1-CG1 4.05Å; V138-V197 HydrophobicContact CG2-CG1 4.12Å; V138-V198 HydrophobicContact CG2-CG2 4.42Å
139	S	97	Very high	93.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	145.2	-172.4	166.3	0	0	0	0	111.8	D48 F49 A141 F163 T164 M192	D48-S139 WeakPolarHBondContact OD1-CA 3.16Å; D48-S139 WeakPolarHBondContact OD1-CB 3.44Å; F49-S139 WeakPolarHBondContact CB-OG 3.43Å; S139-A141 VanDerWaalsContact C-N 3.28Å; S139-A141 WeakPolarHBondContact OG-CB 3.29Å; S139-A141 PolarHBondContact OG-N 3Å; S139-A141 VanDerWaalsContact OG-N 3.09Å; S139-F163 PolarHBondContact N-O 2.7Å; S139-T164 WeakPolarHBondContact O-CA 3.27Å; S139-T164 VanDerWaalsContact O-CB 3.22Å; S139-T164 WeakPolarHBondContact O-CB 2.94Å; S139-T164 PolarHBondContact O-OG1 3.06Å; S139-M192 VanDerWaalsContact O-SD 3.4Å
140	D	93.1	Very high	94.5	Very high	26 Å²	26	16.9 Å²	16.9	14%	0.139	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	6.1	176.7	-155.9	29.3	0	0	0	114	N165 N191 M192	D140-N165 PolarHBondContact O-ND2 3.02Å; D140-N165 PolarHBondContact OD1-ND2 2.88Å; D140-N191 PolarHBondContact OD1-ND2 2.77Å; D140-M192 WeakPolarHBondContact OD1-CB 3.24Å
141	A	94.3	Very high	95.8	Very high	4 Å²	4	21.3 Å²	21.3	3%	0.033	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-140.1	166.5	0	0	0	0	0	110.7	F49 D50 S139 I146 T164 N165	F49-A141 HydrophobicContact CD1-CB 4.4Å; D50-A141 WeakPolarHBondContact OD2-CB 3.35Å; S139-A141 VanDerWaalsContact C-N 3.28Å; S139-A141 WeakPolarHBondContact OG-CB 3.29Å; S139-A141 PolarHBondContact OG-N 3Å; S139-A141 VanDerWaalsContact OG-N 3.09Å; A141-I146 HydrophobicContact CB-CD1 4.08Å; A141-I146 HydrophobicContact CB-CG1 4.34Å; A141-T164 PolarHBondContact O-OG1 3.18Å; A141-T164 VanDerWaalsContact O-OG1 3.09Å; A141-N165 VanDerWaalsContact O-CB 3.25Å; A141-N165 WeakPolarHBondContact O-CB 3.08Å; A141-N165 PolarHBondContact O-N 3.42Å; A141-N165 PolarHBondContact O-ND2 2.78Å
142	N	95.5	Very high	96.8	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.021	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	161.3	179.3	72.9	75.2	0	0	0	114.2	F144 F145 I146 T164 N165 A167 L177	N142-F144 PolarHBondContact O-N 2.92Å; N142-F144 WeakPolarHBondContact OD1-CB 3.41Å; N142-F144 PolarHBondContact OD1-N 3.13Å; N142-F145 WeakPolarHBondContact ND2-CD2 3.12Å; N142-F145 WeakPolarHBondContact ND2-CE2 3.15Å; N142-F145 VanDerWaalsContact ND2-CG 3.26Å; N142-F145 WeakPolarHBondContact ND2-CG 3.29Å; N142-F145 PolarHBondContact O-N 3.35Å; N142-F145 PolarHBondContact OD1-N 3.44Å; N142-I146 PolarHBondContact O-N 2.93Å; N142-I146 VanDerWaalsContact O-N 3.11Å; N142-T164 WeakPolarHBondContact CA-OG1 3.4Å; N142-T164 PolarHBondContact N-OG1 3.13Å; N142-N165 VanDerWaalsContact CA-O 3.22Å; N142-N165 WeakPolarHBondContact CA-O 3.45Å; N142-N165 WeakPolarHBondContact CB-O 3.21Å; N142-A167 HydrophobicContact CB-CB 3.78Å; N142-A167 WeakPolarHBondContact OD1-CB 3.5Å; N142-L177 HydrophobicContact CB-CD2 3.67Å
143	T	97.1	Very high	97.1	Very high	47 Å²	47	24.2 Å²	24.2	29%	0.288	11%	0.111	S	C	.	.	H	α-helix	trans	-58	-35.3	-175.4	53.4	0	0	0	0	113.1	E147 T164 N165 A167	T143-E147 WeakPolarHBondContact O-CB 3.46Å; T143-E147 WeakPolarHBondContact O-CG 3.36Å; T143-E147 PolarHBondContact O-N 3.46Å; T143-T164 HydrophobicContact CG2-CG2 3.49Å; T143-T164 VanDerWaalsContact CG2-CG2 3.49Å; T143-N165 PolarHBondContact N-O 3.04Å; T143-A167 PolarHBondContact OG1-N 2.75Å; T143-A167 PolarHBondContact OG1-O 3.32Å
144	F	97.4	Very high	97.3	Very high	18 Å²	18	26.4 Å²	26.4	8%	0.079	13%	0.133	C	C	.	.	H	α-helix	trans	-72.1	-44.4	-177.3	173.6	-103.8	0	0	0	111.9	E102 L105 R106 N142 S148 A167 F169 L175	E102-F144 HydrophobicContact CG-CE2 3.85Å; E102-F144 HydrophobicContact CG-CZ 3.85Å; L105-F144 HydrophobicContact CB-CE1 3.81Å; L105-F144 HydrophobicContact CB-CZ 4.36Å; R106-F144 HydrophobicContact CB-CZ 4.01Å; N142-F144 PolarHBondContact O-N 2.92Å; N142-F144 WeakPolarHBondContact OD1-CB 3.41Å; N142-F144 PolarHBondContact OD1-N 3.13Å; F144-S148 VanDerWaalsContact O-CB 3.31Å; F144-S148 WeakPolarHBondContact O-CB 3.49Å; F144-S148 PolarHBondContact O-N 2.69Å; F144-S148 PolarHBondContact O-OG 3.38Å; F144-A167 HydrophobicContact CB-CB 4.08Å; F144-F169 HydrophobicContact CD1-CE2 4.32Å; F144-F169 HydrophobicContact CD1-CZ 4.42Å; F144-F169 AromaticContact CD2-CE2 3.7Å; F144-F169 HydrophobicContact CD2-CE2 3.7Å; F144-F169 HydrophobicContact CD2-CZ 4.5Å; F144-F169 HydrophobicContact CE1-CE2 4.21Å; F144-F169 HydrophobicContact CE1-CZ 4.07Å; F144-F169 AromaticContact CE2-CE2 3.53Å; F144-F169 HydrophobicContact CE2-CE2 3.53Å; F144-F169 HydrophobicContact CE2-CZ 4.11Å; F144-F169 HydrophobicContact CG-CE2 4.1Å; F144-F169 AromaticContact CZ-CE2 3.8Å; F144-F169 HydrophobicContact CZ-CE2 3.8Å; F144-F169 AromaticContact CZ-CZ 3.89Å; F144-F169 HydrophobicContact CZ-CZ 3.89Å; F144-L175 HydrophobicContact CB-CD1 4Å; F144-L175 HydrophobicContact CB-CD2 4.28Å; F144-L175 HydrophobicContact CD1-CD1 4.33Å; F144-L175 HydrophobicContact CD1-CD2 3.69Å; F144-L175 HydrophobicContact CE1-CD2 4.45Å; F144-L175 HydrophobicContact CG-CD1 4.15Å; F144-L175 HydrophobicContact CG-CD2 4.25Å
145	F	96.6	Very high	97.3	Very high	1 Å²	1	26.9 Å²	26.9	0%	0.004	14%	0.136	C	C	.	.	H	α-helix	trans	-64.5	-51.9	178.3	-65.5	-5.9	0	0	0	111.2	V62 L92 M109 N142 E147 S148 W149 L175	V62-F145 HydrophobicContact CB-CE2 4.4Å; V62-F145 HydrophobicContact CB-CZ 4.1Å; V62-F145 HydrophobicContact CG2-CE1 4.31Å; V62-F145 HydrophobicContact CG2-CE2 4.44Å; V62-F145 HydrophobicContact CG2-CZ 3.67Å; L92-F145 HydrophobicContact CD2-CZ 4.36Å; M109-F145 HydrophobicContact CG-CB 4.16Å; M109-F145 HydrophobicContact CG-CD1 3.65Å; M109-F145 HydrophobicContact CG-CE1 4.29Å; M109-F145 HydrophobicContact CG-CG 3.97Å; M109-F145 HydrophobicContact SD-CB 3.73Å; M109-F145 HydrophobicContact SD-CD1 3.65Å; M109-F145 HydrophobicContact SD-CD2 3.75Å; M109-F145 HydrophobicContact SD-CE1 4.21Å; M109-F145 HydrophobicContact SD-CE2 4.29Å; M109-F145 HydrophobicContact SD-CG 3.43Å; M109-F145 WeakPolarHBondContact SD-CG 3.35Å; N142-F145 WeakPolarHBondContact ND2-CD2 3.12Å; N142-F145 WeakPolarHBondContact ND2-CE2 3.15Å; N142-F145 VanDerWaalsContact ND2-CG 3.26Å; N142-F145 WeakPolarHBondContact ND2-CG 3.29Å; N142-F145 PolarHBondContact O-N 3.35Å; N142-F145 PolarHBondContact OD1-N 3.44Å; F145-E147 PolarHBondContact O-N 3.43Å; F145-S148 PolarHBondContact O-N 3.05Å; F145-W149 PolarHBondContact O-N 3.37Å; F145-W149 VanDerWaalsContact O-N 3.07Å; F145-L175 HydrophobicContact CE1-CD2 3.83Å; F145-L175 HydrophobicContact CZ-CD2 4.37Å
146	I	98.1	Very high	97.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.9	-48.5	-179.5	-71.7	162.9	0	0	0	110.9	F49 L137 A141 N142 S148 W149 L150 I162 T164	F49-I146 HydrophobicContact CB-CD1 4.43Å; F49-I146 HydrophobicContact CB-CG1 4.26Å; F49-I146 HydrophobicContact CD1-CG1 3.73Å; F49-I146 HydrophobicContact CD2-CG1 4.13Å; F49-I146 HydrophobicContact CE1-CG1 4.07Å; F49-I146 HydrophobicContact CE2-CG1 4.45Å; F49-I146 HydrophobicContact CG-CD1 4.45Å; F49-I146 HydrophobicContact CG-CG1 3.76Å; F49-I146 HydrophobicContact CZ-CG1 4.42Å; L137-I146 HydrophobicContact CD1-CG2 3.95Å; L137-I146 HydrophobicContact CD2-CD1 3.85Å; L137-I146 HydrophobicContact CD2-CG2 4.34Å; A141-I146 HydrophobicContact CB-CD1 4.08Å; A141-I146 HydrophobicContact CB-CG1 4.34Å; N142-I146 PolarHBondContact O-N 2.93Å; N142-I146 VanDerWaalsContact O-N 3.11Å; I146-S148 VanDerWaalsContact C-N 3.33Å; I146-S148 PolarHBondContact O-N 3.43Å; I146-W149 PolarHBondContact O-N 3.21Å; I146-L150 HydrophobicContact CG2-CD1 3.48Å; I146-L150 VanDerWaalsContact CG2-CD1 3.48Å; I146-L150 HydrophobicContact CG2-CG 4.04Å; I146-L150 VanDerWaalsContact O-CB 3.31Å; I146-L150 WeakPolarHBondContact O-CB 3.36Å; I146-L150 WeakPolarHBondContact O-CG 3.37Å; I146-L150 PolarHBondContact O-N 2.93Å; I146-I162 HydrophobicContact CG2-CD1 4.26Å; I146-I162 HydrophobicContact CG2-CG2 4.02Å; I146-T164 HydrophobicContact CD1-CG2 3.81Å; I146-T164 WeakPolarHBondContact CD1-OG1 3.33Å
147	E	98.2	Very high	97.2	Very high	39 Å²	39	36.8 Å²	36.8	18%	0.182	18%	0.181	C	C	.	.	H	α-helix	trans	-65.1	-36.5	-179.4	-73.7	-79.6	173.5	0	0	112.2	T143 F145 R151 R156	T143-E147 WeakPolarHBondContact O-CB 3.46Å; T143-E147 WeakPolarHBondContact O-CG 3.36Å; T143-E147 PolarHBondContact O-N 3.46Å; F145-E147 PolarHBondContact O-N 3.43Å; E147-R151 VanDerWaalsContact O-CB 3.25Å; E147-R151 WeakPolarHBondContact O-CB 3.5Å; E147-R151 WeakPolarHBondContact O-CD 3.47Å; E147-R151 WeakPolarHBondContact O-CG 3.39Å; E147-R151 PolarHBondContact O-N 3.43Å; E147-R151 VanDerWaalsContact O-N 3.11Å; E147-R151 IonicContact OE2-CZ 3.19Å; E147-R151 IonicContact OE2-NE 2.82Å; E147-R151 PolarHBondContact OE2-NE 3.13Å; E147-R151 IonicContact OE2-NH2 2.77Å; E147-R151 PolarHBondContact OE2-NH2 3.15Å; E147-R156 IonicContact OE1-CZ 3.94Å; E147-R156 IonicContact OE1-NE 3.85Å; E147-R156 PolarHBondContact OE1-NE 3.07Å; E147-R156 IonicContact OE1-NH2 3.78Å; E147-R156 PolarHBondContact OE1-NH2 2.89Å; E147-R156 WeakPolarHBondContact OE2-CD 3.38Å; E147-R156 IonicContact OE2-NE 3.01Å; E147-R156 PolarHBondContact OE2-NE 2.99Å
148	S	98	Very high	97	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.007	18%	0.182	C	C	.	.	H	α-helix	trans	-62	-51.4	177.1	-61.7	0	0	0	0	110.8	F144 F145 I146 R152	F144-S148 VanDerWaalsContact O-CB 3.31Å; F144-S148 WeakPolarHBondContact O-CB 3.49Å; F144-S148 PolarHBondContact O-N 2.69Å; F144-S148 PolarHBondContact O-OG 3.38Å; F145-S148 PolarHBondContact O-N 3.05Å; I146-S148 VanDerWaalsContact C-N 3.33Å; I146-S148 PolarHBondContact O-N 3.43Å; S148-R152 WeakPolarHBondContact O-CB 3.41Å; S148-R152 PolarHBondContact O-N 3.35Å; S148-R152 VanDerWaalsContact O-N 3.11Å
149	W	98.5	Very high	96.9	Very high	11 Å²	11	37.3 Å²	37.3	4%	0.042	18%	0.183	C	C	.	.	H	α-helix	trans	-64.9	-50.2	-179.9	-168.9	97.8	0	0	0	112.3	F49 I53 V54 M109 I112 A114 L119 F122 F145 I146 R151 R152 A153 V155	F49-W149 HydrophobicContact CE2-CB 4.2Å; F49-W149 HydrophobicContact CE2-CD2 4.15Å; F49-W149 AromaticContact CE2-CE3 3.99Å; F49-W149 HydrophobicContact CE2-CE3 3.99Å; F49-W149 HydrophobicContact CE2-CG 4.23Å; F49-W149 HydrophobicContact CZ-CB 3.71Å; F49-W149 HydrophobicContact CZ-CD2 4.26Å; F49-W149 AromaticContact CZ-CG 3.88Å; F49-W149 HydrophobicContact CZ-CG 3.88Å; I53-W149 HydrophobicContact CG2-CE3 4.11Å; I53-W149 HydrophobicContact CG2-CH2 3.64Å; I53-W149 HydrophobicContact CG2-CZ2 4.44Å; I53-W149 HydrophobicContact CG2-CZ3 3.45Å; I53-W149 VanDerWaalsContact CG2-CZ3 3.45Å; V54-W149 HydrophobicContact CG1-CD2 3.75Å; V54-W149 HydrophobicContact CG1-CE3 4.48Å; V54-W149 HydrophobicContact CG1-CG 3.93Å; V54-W149 HydrophobicContact CG1-CZ2 3.85Å; V54-W149 VanDerWaalsContact CG1-NE1 3.32Å; M109-W149 VanDerWaalsContact O-CD1 3.24Å; I112-W149 PolarHBondContact O-NE1 2.87Å; A114-W149 HydrophobicContact CB-CH2 4.07Å; A114-W149 HydrophobicContact CB-CZ2 3.76Å; L119-W149 HydrophobicContact CD2-CH2 4.05Å; F122-W149 HydrophobicContact CE2-CZ3 4.38Å; F145-W149 PolarHBondContact O-N 3.37Å; F145-W149 VanDerWaalsContact O-N 3.07Å; I146-W149 PolarHBondContact O-N 3.21Å; W149-R151 VanDerWaalsContact C-N 3.27Å; W149-R151 PolarHBondContact O-N 2.91Å; W149-R152 PolarHBondContact O-N 3.28Å; W149-A153 HydrophobicContact CD2-CB 4.35Å; W149-A153 HydrophobicContact CE3-CB 3.99Å; W149-A153 HydrophobicContact CH2-CB 3.92Å; W149-A153 HydrophobicContact CZ2-CB 4.28Å; W149-A153 HydrophobicContact CZ3-CB 3.76Å; W149-A153 WeakPolarHBondContact O-CB 3.29Å; W149-A153 PolarHBondContact O-N 2.95Å; W149-V155 HydrophobicContact CZ3-CG2 3.99Å
150	L	98.5	Very high	96.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.4	-35	-176.6	-71.1	179.2	0	0	0	113	L137 I146 G154 V155 R156 F159 I162	L137-L150 HydrophobicContact CD1-CD1 4.09Å; L137-L150 HydrophobicContact CD1-CD2 4.46Å; I146-L150 HydrophobicContact CG2-CD1 3.48Å; I146-L150 VanDerWaalsContact CG2-CD1 3.48Å; I146-L150 HydrophobicContact CG2-CG 4.04Å; I146-L150 VanDerWaalsContact O-CB 3.31Å; I146-L150 WeakPolarHBondContact O-CB 3.36Å; I146-L150 WeakPolarHBondContact O-CG 3.37Å; I146-L150 PolarHBondContact O-N 2.93Å; L150-G154 PolarHBondContact O-N 2.85Å; L150-V155 HydrophobicContact CD2-CG2 3.76Å; L150-V155 PolarHBondContact O-N 2.73Å; L150-R156 HydrophobicContact CB-CB 3.97Å; L150-R156 PolarHBondContact O-N 3.1Å; L150-R156 VanDerWaalsContact O-N 3.1Å; L150-F159 HydrophobicContact CD1-CD2 4.07Å; L150-F159 HydrophobicContact CD1-CE2 4.41Å; L150-F159 HydrophobicContact CD2-CD2 3.88Å; L150-F159 HydrophobicContact CD2-CE2 3.44Å; L150-F159 VanDerWaalsContact CD2-CE2 3.44Å; L150-F159 HydrophobicContact CD2-CZ 4.2Å; L150-I162 HydrophobicContact CD1-CD1 3.5Å
151	R	98.3	Very high	97	Very high	152 Å²	152	40.3 Å²	40.3	57%	0.574	19%	0.194	S	C	*	.	H	α-helix	trans	-72.2	-45.4	177	-73	173.1	-170.7	-87	-6.7	110.9	E147 W149 A153 G154 R156	E147-R151 VanDerWaalsContact O-CB 3.25Å; E147-R151 WeakPolarHBondContact O-CB 3.5Å; E147-R151 WeakPolarHBondContact O-CD 3.47Å; E147-R151 WeakPolarHBondContact O-CG 3.39Å; E147-R151 PolarHBondContact O-N 3.43Å; E147-R151 VanDerWaalsContact O-N 3.11Å; E147-R151 IonicContact OE2-CZ 3.19Å; E147-R151 IonicContact OE2-NE 2.82Å; E147-R151 PolarHBondContact OE2-NE 3.13Å; E147-R151 IonicContact OE2-NH2 2.77Å; E147-R151 PolarHBondContact OE2-NH2 3.15Å; W149-R151 VanDerWaalsContact C-N 3.27Å; W149-R151 PolarHBondContact O-N 2.91Å; R151-A153 VanDerWaalsContact C-N 3.32Å; R151-A153 PolarHBondContact O-N 3.15Å; R151-G154 PolarHBondContact O-N 2.65Å; R151-R156 HydrophobicContact CG-CB 4.19Å; R151-R156 HydrophobicContact CG-CG 4.28Å
152	R	97.9	Very high	97.1	Very high	166 Å²	166	41.8 Å²	41.8	63%	0.626	20%	0.201	S	C	*	.	H	α-helix	trans	-60.5	-42.1	176.8	178.9	69.5	-177.6	111.8	-3.3	112.3	E110 S148 W149 G154	E110-R152 HydrophobicContact CB-CB 4.12Å; E110-R152 HydrophobicContact CB-CG 3.83Å; E110-R152 HydrophobicContact CG-CB 3.68Å; E110-R152 HydrophobicContact CG-CG 3.92Å; S148-R152 WeakPolarHBondContact O-CB 3.41Å; S148-R152 PolarHBondContact O-N 3.35Å; S148-R152 VanDerWaalsContact O-N 3.11Å; W149-R152 PolarHBondContact O-N 3.28Å; R152-G154 PolarHBondContact O-N 3.41Å
153	A	97.8	Very high	97.3	Very high	39 Å²	39	42.9 Å²	42.9	32%	0.322	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-9.5	177.1	0	0	0	0	0	113.5	W149 R151 V155	W149-A153 HydrophobicContact CD2-CB 4.35Å; W149-A153 HydrophobicContact CE3-CB 3.99Å; W149-A153 HydrophobicContact CH2-CB 3.92Å; W149-A153 HydrophobicContact CZ2-CB 4.28Å; W149-A153 HydrophobicContact CZ3-CB 3.76Å; W149-A153 WeakPolarHBondContact O-CB 3.29Å; W149-A153 PolarHBondContact O-N 2.95Å; R151-A153 VanDerWaalsContact C-N 3.32Å; R151-A153 PolarHBondContact O-N 3.15Å; A153-V155 VanDerWaalsContact C-N 3.3Å; A153-V155 HydrophobicContact CB-CG2 3.95Å; A153-V155 PolarHBondContact O-N 3.46Å
154	G	97.6	Very high	97.3	Very high	46 Å²	46	40.8 Å²	40.8	47%	0.474	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	21.9	178.2	0	0	0	0	0	114.4	R126 L150 R151 R152	R126-G154 PolarHBondContact NH1-O 2.87Å; R126-G154 VanDerWaalsContact NH1-O 3.16Å; L150-G154 PolarHBondContact O-N 2.85Å; R151-G154 PolarHBondContact O-N 2.65Å; R152-G154 PolarHBondContact O-N 3.41Å
155	V	97.3	Very high	97.3	Very high	10 Å²	10	40 Å²	40	6%	0.061	19%	0.19	C	C	.	.			trans	-114.3	-2.4	-175.3	-63	0	0	0	0	113.6	L119 F122 W149 L150 A153 Q157 L158 F159	L119-V155 HydrophobicContact CD2-CG1 4.45Å; F122-V155 HydrophobicContact CB-CG1 4.31Å; F122-V155 HydrophobicContact CD2-CB 4.08Å; F122-V155 HydrophobicContact CD2-CG1 3.91Å; F122-V155 HydrophobicContact CD2-CG2 4.06Å; F122-V155 HydrophobicContact CE2-CG2 4.12Å; W149-V155 HydrophobicContact CZ3-CG2 3.99Å; L150-V155 HydrophobicContact CD2-CG2 3.76Å; L150-V155 PolarHBondContact O-N 2.73Å; A153-V155 VanDerWaalsContact C-N 3.3Å; A153-V155 HydrophobicContact CB-CG2 3.95Å; A153-V155 PolarHBondContact O-N 3.46Å; V155-Q157 PolarHBondContact O-N 2.87Å; V155-L158 WeakPolarHBondContact O-CB 3.39Å; V155-L158 PolarHBondContact O-N 2.89Å; V155-F159 HydrophobicContact CG2-CE2 4.45Å
156	R	97.3	Very high	97.2	Very high	38 Å²	38	41.7 Å²	41.7	14%	0.143	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-49.5	-37.9	179.9	178.4	56.1	-173.5	85.2	-5.5	114.5	E147 L150 R151 L158 F159 I162	E147-R156 IonicContact OE1-CZ 3.94Å; E147-R156 IonicContact OE1-NE 3.85Å; E147-R156 PolarHBondContact OE1-NE 3.07Å; E147-R156 IonicContact OE1-NH2 3.78Å; E147-R156 PolarHBondContact OE1-NH2 2.89Å; E147-R156 WeakPolarHBondContact OE2-CD 3.38Å; E147-R156 IonicContact OE2-NE 3.01Å; E147-R156 PolarHBondContact OE2-NE 2.99Å; L150-R156 HydrophobicContact CB-CB 3.97Å; L150-R156 PolarHBondContact O-N 3.1Å; L150-R156 VanDerWaalsContact O-N 3.1Å; R151-R156 HydrophobicContact CG-CB 4.19Å; R151-R156 HydrophobicContact CG-CG 4.28Å; R156-L158 PolarHBondContact O-N 3.21Å; R156-F159 PolarHBondContact NH1-O 2.92Å; R156-F159 VanDerWaalsContact NH1-O 3.16Å; R156-F159 PolarHBondContact O-N 3.18Å; R156-I162 VanDerWaalsContact CZ-CD1 3.44Å
157	Q	94.6	Very high	97.1	Very high	171 Å²	171	42.2 Å²	42.2	80%	0.799	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-72.9	-13	-178.1	-59	-64.1	5.4	0	0	114	V155 F159	V155-Q157 PolarHBondContact O-N 2.87Å; Q157-F159 VanDerWaalsContact C-N 3.33Å
158	L	95.8	Very high	97	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.037	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-68.3	-36.4	172.9	177.8	57.1	0	0	0	111.3	F122 L125 R126 V135 V155 R156 H160	F122-L158 HydrophobicContact CB-CD2 3.66Å; F122-L158 HydrophobicContact CD1-CD2 3.6Å; F122-L158 HydrophobicContact CE1-CD2 4.4Å; F122-L158 HydrophobicContact CG-CD2 3.73Å; L125-L158 HydrophobicContact CB-CD1 4.14Å; L125-L158 HydrophobicContact CB-CD2 4.33Å; R126-L158 HydrophobicContact CG-CB 4.28Å; R126-L158 HydrophobicContact CG-CD1 3.74Å; R126-L158 HydrophobicContact CG-CD2 4.32Å; R126-L158 HydrophobicContact CG-CG 4.33Å; V135-L158 HydrophobicContact CB-CD1 4.29Å; V135-L158 HydrophobicContact CB-CG 4.24Å; V135-L158 HydrophobicContact CG1-CD2 4.49Å; V135-L158 HydrophobicContact CG1-CG 4.09Å; V135-L158 HydrophobicContact CG2-CD1 3.84Å; V135-L158 HydrophobicContact CG2-CG 4.25Å; V155-L158 WeakPolarHBondContact O-CB 3.39Å; V155-L158 PolarHBondContact O-N 2.89Å; R156-L158 PolarHBondContact O-N 3.21Å; L158-H160 PolarHBondContact O-N 2.94Å; L158-H160 PolarHBondContact O-ND1 3.06Å
159	F	96.5	Very high	96.8	Very high	3 Å²	3	46.3 Å²	46.3	1%	0.013	23%	0.228	C	C	.	.			trans	-84.3	112.3	-174.2	-64.1	-84.6	0	0	0	110.9	F47 I53 F122 V135 L137 L150 V155 R156 Q157 R161 I162	F47-F159 HydrophobicContact CB-CE1 4.42Å; F47-F159 HydrophobicContact CD2-CE1 4.2Å; I53-F159 HydrophobicContact CD1-CE1 4.17Å; I53-F159 HydrophobicContact CD1-CZ 3.77Å; F122-F159 AromaticContact CE1-CZ 3.8Å; F122-F159 HydrophobicContact CE1-CZ 3.8Å; F122-F159 HydrophobicContact CE2-CE2 4.44Å; F122-F159 HydrophobicContact CE2-CZ 4.31Å; F122-F159 HydrophobicContact CZ-CE2 4.17Å; F122-F159 AromaticContact CZ-CZ 3.61Å; F122-F159 HydrophobicContact CZ-CZ 3.61Å; V135-F159 HydrophobicContact CG1-CD1 3.86Å; V135-F159 HydrophobicContact CG1-CE1 3.87Å; L137-F159 HydrophobicContact CB-CD1 3.65Å; L137-F159 HydrophobicContact CB-CE1 3.9Å; L137-F159 HydrophobicContact CB-CG 4.41Å; L137-F159 HydrophobicContact CD1-CD1 4.31Å; L137-F159 HydrophobicContact CD1-CE1 4.04Å; L137-F159 HydrophobicContact CD1-CZ 4.24Å; L137-F159 HydrophobicContact CG-CE1 4.36Å; L150-F159 HydrophobicContact CD1-CD2 4.07Å; L150-F159 HydrophobicContact CD1-CE2 4.41Å; L150-F159 HydrophobicContact CD2-CD2 3.88Å; L150-F159 HydrophobicContact CD2-CE2 3.44Å; L150-F159 VanDerWaalsContact CD2-CE2 3.44Å; L150-F159 HydrophobicContact CD2-CZ 4.2Å; V155-F159 HydrophobicContact CG2-CE2 4.45Å; R156-F159 PolarHBondContact NH1-O 2.92Å; R156-F159 VanDerWaalsContact NH1-O 3.16Å; R156-F159 PolarHBondContact O-N 3.18Å; Q157-F159 VanDerWaalsContact C-N 3.33Å; F159-R161 VanDerWaalsContact C-N 3.33Å; F159-I162 HydrophobicContact CB-CD1 4.34Å; F159-I162 HydrophobicContact CB-CG1 4.02Å
160	H	94.2	Very high	96.6	Very high	39 Å²	39	48.5 Å²	48.5	18%	0.181	24%	0.241	C	C	.	.	S	Bend	trans	-69	-38.1	179.3	-64.3	77.5	0	0	0	110.9	I37 E134 V135 L158	I37-H160 HydrophobicContact CD1-CB 3.83Å; E134-H160 HydrophobicContact CG-CB 4.38Å; V135-H160 PolarHBondContact N-ND1 2.97Å; V135-H160 PolarHBondContact O-N 2.86Å; V135-H160 PolarHBondContact O-ND1 3.09Å; L158-H160 PolarHBondContact O-N 2.94Å; L158-H160 PolarHBondContact O-ND1 3.06Å
161	R	96.8	Very high	96.3	Very high	50 Å²	50	58 Å²	58	19%	0.189	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	147.3	177	-68.8	-66.2	-179.5	-105.1	2.3	110.2	S34 V136 L137 F159 F163 Y201	S34-R161 PolarHBondContact OG-NH2 2.91Å; V136-R161 WeakPolarHBondContact CA-O 3.34Å; V136-R161 HydrophobicContact CG1-CB 4.2Å; L137-R161 PolarHBondContact N-O 3.11Å; F159-R161 VanDerWaalsContact C-N 3.33Å; R161-F163 HydrophobicContact CB-CD2 4.43Å; R161-F163 HydrophobicContact CB-CE2 3.72Å; R161-F163 HydrophobicContact CB-CZ 3.97Å; R161-F163 HydrophobicContact CG-CZ 4.37Å; R161-Y201 HydrophobicContact CB-CE2 4.15Å; R161-Y201 HydrophobicContact CG-CE2 3.79Å; R161-Y201 WeakPolarHBondContact CG-OH 3.4Å
162	I	98.3	Very high	95.9	Very high	35 Å²	35	56.8 Å²	56.8	18%	0.179	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	119.8	177.3	-61.1	-178.4	0	0	0	105.5	L137 I146 L150 R156 F159 T164	L137-I162 HydrophobicContact CB-CG1 4.18Å; L137-I162 HydrophobicContact CB-CG2 4.42Å; L137-I162 HydrophobicContact CD2-CG2 4.17Å; L137-I162 CarbonylContact O-C 3.27Å; L137-I162 WeakPolarHBondContact O-CA 3.06Å; I146-I162 HydrophobicContact CG2-CD1 4.26Å; I146-I162 HydrophobicContact CG2-CG2 4.02Å; L150-I162 HydrophobicContact CD1-CD1 3.5Å; R156-I162 VanDerWaalsContact CZ-CD1 3.44Å; F159-I162 HydrophobicContact CB-CD1 4.34Å; F159-I162 HydrophobicContact CB-CG1 4.02Å; I162-T164 HydrophobicContact CG2-CG2 4.02Å
163	F	98.4	Very high	95.4	Very high	27 Å²	27	50.7 Å²	50.7	12%	0.118	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	116.3	176.2	-62.1	-71.5	0	0	0	108.1	V136 L137 V138 S139 R161 F180 M192 V197 Y201	V136-F163 HydrophobicContact CG1-CD2 3.73Å; V136-F163 HydrophobicContact CG1-CE2 3.73Å; L137-F163 PolarHBondContact O-N 3.32Å; V138-F163 WeakPolarHBondContact CA-O 3.45Å; V138-F163 HydrophobicContact CG2-CB 4.36Å; V138-F163 HydrophobicContact CG2-CD2 4.06Å; S139-F163 PolarHBondContact N-O 2.7Å; R161-F163 HydrophobicContact CB-CD2 4.43Å; R161-F163 HydrophobicContact CB-CE2 3.72Å; R161-F163 HydrophobicContact CB-CZ 3.97Å; R161-F163 HydrophobicContact CG-CZ 4.37Å; F163-F180 HydrophobicContact CB-CE1 4.49Å; F163-F180 HydrophobicContact CB-CE2 4.33Å; F163-F180 HydrophobicContact CB-CZ 4.07Å; F163-F180 HydrophobicContact CD1-CE1 4.4Å; F163-F180 HydrophobicContact CD1-CE2 4.01Å; F163-F180 AromaticContact CD1-CZ 3.5Å; F163-F180 HydrophobicContact CD1-CZ 3.5Å; F163-F180 HydrophobicContact CE1-CZ 4.38Å; F163-F180 HydrophobicContact CG-CZ 4.23Å; F163-M192 HydrophobicContact CB-CE 4.11Å; F163-V197 HydrophobicContact CB-CG1 3.6Å; F163-V197 HydrophobicContact CD1-CG1 4.01Å; F163-V197 HydrophobicContact CD2-CG1 3.6Å; F163-V197 HydrophobicContact CE2-CG1 4.25Å; F163-V197 HydrophobicContact CG-CG1 3.44Å; F163-V197 VanDerWaalsContact CG-CG1 3.44Å; F163-Y201 HydrophobicContact CE1-CD2 4.5Å; F163-Y201 AromaticContact CE2-CD2 3.44Å; F163-Y201 HydrophobicContact CE2-CD2 3.44Å; F163-Y201 VanDerWaalsContact CE2-CD2 3.44Å; F163-Y201 AromaticContact CE2-CE2 3.69Å; F163-Y201 HydrophobicContact CE2-CE2 3.69Å; F163-Y201 AromaticContact CE2-CG 3.92Å; F163-Y201 HydrophobicContact CE2-CG 3.92Å; F163-Y201 AromaticContact CZ-CD2 3.27Å; F163-Y201 HydrophobicContact CZ-CD2 3.27Å; F163-Y201 AromaticContact CZ-CE2 3.55Å; F163-Y201 HydrophobicContact CZ-CE2 3.55Å; F163-Y201 HydrophobicContact CZ-CG 4.15Å
164	T	97.8	Very high	95.2	Very high	4 Å²	4	52.3 Å²	52.3	3%	0.025	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	167.8	-175.4	-169.8	0	0	0	0	110.5	S139 A141 N142 T143 I146 I162 P166 F180	S139-T164 WeakPolarHBondContact O-CA 3.27Å; S139-T164 VanDerWaalsContact O-CB 3.22Å; S139-T164 WeakPolarHBondContact O-CB 2.94Å; S139-T164 PolarHBondContact O-OG1 3.06Å; A141-T164 PolarHBondContact O-OG1 3.18Å; A141-T164 VanDerWaalsContact O-OG1 3.09Å; N142-T164 WeakPolarHBondContact CA-OG1 3.4Å; N142-T164 PolarHBondContact N-OG1 3.13Å; T143-T164 HydrophobicContact CG2-CG2 3.49Å; T143-T164 VanDerWaalsContact CG2-CG2 3.49Å; I146-T164 HydrophobicContact CD1-CG2 3.81Å; I146-T164 WeakPolarHBondContact CD1-OG1 3.33Å; I162-T164 HydrophobicContact CG2-CG2 4.02Å; T164-P166 WeakPolarHBondContact O-CD 3.41Å; T164-F180 WeakPolarHBondContact O-CD2 3.32Å
165	N	96	Very high	95.1	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	124.5	-179.4	-60.4	-73.3	0	0	0	111	D140 A141 N142 T143 A167 R178 F180 N191	D140-N165 PolarHBondContact O-ND2 3.02Å; D140-N165 PolarHBondContact OD1-ND2 2.88Å; A141-N165 VanDerWaalsContact O-CB 3.25Å; A141-N165 WeakPolarHBondContact O-CB 3.08Å; A141-N165 PolarHBondContact O-N 3.42Å; A141-N165 PolarHBondContact O-ND2 2.78Å; N142-N165 VanDerWaalsContact CA-O 3.22Å; N142-N165 WeakPolarHBondContact CA-O 3.45Å; N142-N165 WeakPolarHBondContact CB-O 3.21Å; T143-N165 PolarHBondContact N-O 3.04Å; N165-A167 PolarHBondContact O-N 3.17Å; N165-R178 WeakPolarHBondContact CB-O 3.45Å; N165-F180 PolarHBondContact OD1-N 3.26Å; N165-N191 PolarHBondContact ND2-ND2 3.25Å; N165-N191 VanDerWaalsContact ND2-ND2 3.15Å; N165-N191 PolarHBondContact OD1-ND2 3.15Å
166	P	95.8	Very high	95	Very high	37 Å²	37	51.5 Å²	51.5	24%	0.24	26%	0.26	C	S	.	.			trans	-61.1	131.7	176.6	-25	34.3	0	0	0	112	T164 L177 R178	T164-P166 WeakPolarHBondContact O-CD 3.41Å; P166-L177 CarbonylContact O-C 3.56Å; P166-L177 WeakPolarHBondContact O-CA 3.35Å; P166-R178 HydrophobicContact CB-CB 4.45Å; P166-R178 VanDerWaalsContact CD-O 3.32Å; P166-R178 WeakPolarHBondContact CD-O 3.45Å; P166-R178 PolarHBondContact O-N 2.58Å
167	A	95.6	Very high	94.8	Very high	10 Å²	10	50.2 Å²	50.2	8%	0.083	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129.5	175.5	0	0	0	0	0	111.9	N142 T143 F144 N165 L175 V176 L177	N142-A167 HydrophobicContact CB-CB 3.78Å; N142-A167 WeakPolarHBondContact OD1-CB 3.5Å; T143-A167 PolarHBondContact OG1-N 2.75Å; T143-A167 PolarHBondContact OG1-O 3.32Å; F144-A167 HydrophobicContact CB-CB 4.08Å; N165-A167 PolarHBondContact O-N 3.17Å; A167-L175 HydrophobicContact CB-CD1 3.85Å; A167-L175 HydrophobicContact CB-CG 4.27Å; A167-V176 VanDerWaalsContact CA-O 3.31Å; A167-V176 WeakPolarHBondContact CA-O 3.48Å; A167-L177 HydrophobicContact CB-CD2 3.62Å
168	T	95.3	Very high	94.6	Very high	74 Å²	74	48.6 Å²	48.6	45%	0.454	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	143.1	-179.7	52.7	0	0	0	0	110.9	V176	T168-V176 PolarHBondContact N-O 2.91Å; T168-V176 VanDerWaalsContact N-O 3.09Å; T168-V176 PolarHBondContact O-N 2.65Å
169	F	95.5	Very high	94.5	Very high	53 Å²	53	51.8 Å²	51.8	23%	0.232	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	131.5	170.8	-71.6	-88.3	0	0	0	110.6	E102 L105 F144 G173 R174 L175	E102-F169 HydrophobicContact CB-CD1 4.31Å; E102-F169 HydrophobicContact CB-CD2 4.43Å; E102-F169 HydrophobicContact CB-CE1 3.73Å; E102-F169 HydrophobicContact CB-CE2 3.88Å; E102-F169 HydrophobicContact CB-CZ 3.5Å; E102-F169 HydrophobicContact CG-CD2 4.1Å; E102-F169 HydrophobicContact CG-CE1 4.23Å; E102-F169 HydrophobicContact CG-CE2 3.43Å; E102-F169 VanDerWaalsContact CG-CE2 3.43Å; E102-F169 HydrophobicContact CG-CZ 3.51Å; E102-F169 WeakPolarHBondContact OE2-CD2 3.47Å; L105-F169 HydrophobicContact CD1-CE1 4.3Å; L105-F169 HydrophobicContact CD1-CZ 4.16Å; F144-F169 HydrophobicContact CD1-CE2 4.32Å; F144-F169 HydrophobicContact CD1-CZ 4.42Å; F144-F169 AromaticContact CD2-CE2 3.7Å; F144-F169 HydrophobicContact CD2-CE2 3.7Å; F144-F169 HydrophobicContact CD2-CZ 4.5Å; F144-F169 HydrophobicContact CE1-CE2 4.21Å; F144-F169 HydrophobicContact CE1-CZ 4.07Å; F144-F169 AromaticContact CE2-CE2 3.53Å; F144-F169 HydrophobicContact CE2-CE2 3.53Å; F144-F169 HydrophobicContact CE2-CZ 4.11Å; F144-F169 HydrophobicContact CG-CE2 4.1Å; F144-F169 AromaticContact CZ-CE2 3.8Å; F144-F169 HydrophobicContact CZ-CE2 3.8Å; F144-F169 AromaticContact CZ-CZ 3.89Å; F144-F169 HydrophobicContact CZ-CZ 3.89Å; F169-G173 WeakPolarHBondContact CD1-O 3.07Å; F169-R174 WeakPolarHBondContact CA-O 3.19Å; F169-L175 HydrophobicContact CD1-CB 4.26Å; F169-L175 HydrophobicContact CD2-CD1 3.95Å; F169-L175 HydrophobicContact CE1-CB 3.86Å; F169-L175 HydrophobicContact CE1-CD1 4.36Å; F169-L175 HydrophobicContact CE2-CD1 3.69Å; F169-L175 HydrophobicContact CG-CD1 4.37Å; F169-L175 HydrophobicContact CZ-CB 4.06Å; F169-L175 HydrophobicContact CZ-CD1 3.91Å; F169-L175 HydrophobicContact CZ-CG 4.41Å
170	N	93.9	Very high	94.4	Very high	57 Å²	57	54.8 Å²	54.8	31%	0.305	28%	0.276	S	S	.	.			trans	-84.3	176.5	172.2	73	18.2	0	0	0	111.2	N172 G173 R174 V176	N170-N172 PolarHBondContact O-N 3.26Å; N170-N172 WeakPolarHBondContact OD1-CA 3.47Å; N170-N172 WeakPolarHBondContact OD1-CB 3.34Å; N170-N172 PolarHBondContact OD1-N 2.82Å; N170-G173 PolarHBondContact O-N 3.39Å; N170-G173 PolarHBondContact OD1-N 3.47Å; N170-R174 PolarHBondContact N-O 3.1Å; N170-R174 PolarHBondContact OD1-N 2.85Å; N170-R174 VanDerWaalsContact OD1-N 3.11Å; N170-V176 HydrophobicContact CB-CG2 4Å
171	K	92.4	Very high	94.4	Very high	199 Å²	199	54.8 Å²	54.8	87%	0.865	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.6	179.4	63.3	174.1	-174	178.2	0	115.2
172	N	89.1	Confident	94.2	Very high	127 Å²	127	57.9 Å²	57.9	68%	0.679	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	8.5	179.1	-59.6	-14.7	0	0	0	111.9	N170 R174	N170-N172 PolarHBondContact O-N 3.26Å; N170-N172 WeakPolarHBondContact OD1-CA 3.47Å; N170-N172 WeakPolarHBondContact OD1-CB 3.34Å; N170-N172 PolarHBondContact OD1-N 2.82Å; N172-R174 VanDerWaalsContact C-N 3.28Å; N172-R174 PolarHBondContact O-N 3.31Å
173	G	88.6	Confident	94	Very high	38 Å²	38	58.2 Å²	58.2	39%	0.392	31%	0.306	S	S	.	.	S	Bend	trans	75.5	11.7	-178.9	0	0	0	0	0	114.6	F169 N170	F169-G173 WeakPolarHBondContact CD1-O 3.07Å; N170-G173 PolarHBondContact O-N 3.39Å; N170-G173 PolarHBondContact OD1-N 3.47Å
174	R	92.9	Very high	93.7	Very high	73 Å²	73	65.5 Å²	65.5	28%	0.275	34%	0.341	S	S	.	.			trans	-89.6	132.2	176	173.9	-178.6	169.9	-171.1	-4.1	110.8	Q89 A96 F169 N170 N172 V176	Q89-R174 PolarHBondContact O-NH2 3.37Å; A96-R174 HydrophobicContact CB-CB 3.8Å; A96-R174 HydrophobicContact CB-CG 4.13Å; F169-R174 WeakPolarHBondContact CA-O 3.19Å; N170-R174 PolarHBondContact N-O 3.1Å; N170-R174 PolarHBondContact OD1-N 2.85Å; N170-R174 VanDerWaalsContact OD1-N 3.11Å; N172-R174 VanDerWaalsContact C-N 3.28Å; N172-R174 PolarHBondContact O-N 3.31Å; R174-V176 HydrophobicContact CG-CG2 4.47Å; R174-V176 PolarHBondContact O-N 3.48Å
175	L	95.1	Very high	93.5	Very high	2 Å²	2	67 Å²	67	1%	0.01	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	119.5	169.3	-171.2	62.3	0	0	0	109.9	L92 L105 F144 F145 A167 F169	L92-L175 HydrophobicContact CD1-CB 4.3Å; L92-L175 HydrophobicContact CD1-CD2 4.1Å; L92-L175 HydrophobicContact CD1-CG 4.22Å; L92-L175 HydrophobicContact CD2-CB 4.37Å; L92-L175 HydrophobicContact CD2-CD2 4.11Å; L105-L175 HydrophobicContact CD1-CD2 4.49Å; F144-L175 HydrophobicContact CB-CD1 4Å; F144-L175 HydrophobicContact CB-CD2 4.28Å; F144-L175 HydrophobicContact CD1-CD1 4.33Å; F144-L175 HydrophobicContact CD1-CD2 3.69Å; F144-L175 HydrophobicContact CE1-CD2 4.45Å; F144-L175 HydrophobicContact CG-CD1 4.15Å; F144-L175 HydrophobicContact CG-CD2 4.25Å; F145-L175 HydrophobicContact CE1-CD2 3.83Å; F145-L175 HydrophobicContact CZ-CD2 4.37Å; A167-L175 HydrophobicContact CB-CD1 3.85Å; A167-L175 HydrophobicContact CB-CG 4.27Å; F169-L175 HydrophobicContact CD1-CB 4.26Å; F169-L175 HydrophobicContact CD2-CD1 3.95Å; F169-L175 HydrophobicContact CE1-CB 3.86Å; F169-L175 HydrophobicContact CE1-CD1 4.36Å; F169-L175 HydrophobicContact CE2-CD1 3.69Å; F169-L175 HydrophobicContact CG-CD1 4.37Å; F169-L175 HydrophobicContact CZ-CB 4.06Å; F169-L175 HydrophobicContact CZ-CD1 3.91Å; F169-L175 HydrophobicContact CZ-CG 4.41Å
176	V	94.4	Very high	93.2	Very high	37 Å²	37	74.8 Å²	74.8	22%	0.224	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.5	-179.4	-179.5	0	0	0	0	109.4	A167 T168 N170 R174	A167-V176 VanDerWaalsContact CA-O 3.31Å; A167-V176 WeakPolarHBondContact CA-O 3.48Å; T168-V176 PolarHBondContact N-O 2.91Å; T168-V176 VanDerWaalsContact N-O 3.09Å; T168-V176 PolarHBondContact O-N 2.65Å; N170-V176 HydrophobicContact CB-CG2 4Å; R174-V176 HydrophobicContact CG-CG2 4.47Å; R174-V176 PolarHBondContact O-N 3.48Å
177	L	93.1	Very high	92.8	Very high	11 Å²	11	80.5 Å²	80.5	6%	0.058	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	149.6	176	-53.8	177.9	0	0	0	110.5	M88 Q89 L92 N142 P166 A167	M88-L177 HydrophobicContact CB-CD1 3.89Å; Q89-L177 HydrophobicContact CG-CB 3.82Å; Q89-L177 HydrophobicContact CG-CD1 4.25Å; Q89-L177 HydrophobicContact CG-CG 4.22Å; Q89-L177 PolarHBondContact OE1-O 3.46Å; L92-L177 HydrophobicContact CD1-CD1 3.76Å; L92-L177 HydrophobicContact CD1-CD2 3.98Å; L92-L177 HydrophobicContact CD1-CG 3.7Å; N142-L177 HydrophobicContact CB-CD2 3.67Å; P166-L177 CarbonylContact O-C 3.56Å; P166-L177 WeakPolarHBondContact O-CA 3.35Å; A167-L177 HydrophobicContact CB-CD2 3.62Å
178	R	92.2	Very high	92.6	Very high	137 Å²	137	80.8 Å²	80.8	52%	0.517	41%	0.405	S	S	.	.			trans	-131.3	150.9	168.6	-71.6	-176.1	-74.1	151	-3.8	109.5	N165 P166	N165-R178 WeakPolarHBondContact CB-O 3.45Å; P166-R178 HydrophobicContact CB-CB 4.45Å; P166-R178 VanDerWaalsContact CD-O 3.32Å; P166-R178 WeakPolarHBondContact CD-O 3.45Å; P166-R178 PolarHBondContact O-N 2.58Å
179	P	92.9	Very high	92.3	Very high	73 Å²	73	78.7 Å²	78.7	47%	0.474	39%	0.392	S	S	.	.			trans	-60.8	146.7	172.3	27.6	-35	0	0	0	110.4	N191	P179-N191 HydrophobicContact CB-CB 3.85Å
180	F	94.6	Very high	92.1	Very high	66 Å²	66	81.3 Å²	81.3	29%	0.289	41%	0.409	S	S	.	.	S	Bend	trans	-72	-46.9	177.9	176.7	-105.3	0	0	0	111.6	F163 T164 N165 N191 M192 V197	F163-F180 HydrophobicContact CB-CE1 4.49Å; F163-F180 HydrophobicContact CB-CE2 4.33Å; F163-F180 HydrophobicContact CB-CZ 4.07Å; F163-F180 HydrophobicContact CD1-CE1 4.4Å; F163-F180 HydrophobicContact CD1-CE2 4.01Å; F163-F180 AromaticContact CD1-CZ 3.5Å; F163-F180 HydrophobicContact CD1-CZ 3.5Å; F163-F180 HydrophobicContact CE1-CZ 4.38Å; F163-F180 HydrophobicContact CG-CZ 4.23Å; T164-F180 WeakPolarHBondContact O-CD2 3.32Å; N165-F180 PolarHBondContact OD1-N 3.26Å; F180-N191 PolarHBondContact N-O 3.48Å; F180-M192 HydrophobicContact CB-CB 4.31Å; F180-M192 HydrophobicContact CB-CG 4.17Å; F180-M192 HydrophobicContact CB-SD 4.15Å; F180-M192 HydrophobicContact CD1-CE 4.02Å; F180-M192 HydrophobicContact CD1-CG 4.12Å; F180-M192 HydrophobicContact CD1-SD 4.33Å; F180-M192 HydrophobicContact CE1-CE 4.47Å; F180-M192 HydrophobicContact CG-CE 4.37Å; F180-M192 HydrophobicContact CG-CG 4.49Å; F180-M192 HydrophobicContact CG-SD 4.33Å; F180-V197 HydrophobicContact CD1-CG2 3.97Å; F180-V197 HydrophobicContact CE1-CG2 3.54Å
181	H	93.9	Very high	91.9	Very high	40 Å²	40	79.1 Å²	79.1	19%	0.185	40%	0.397	C	S	.	.			trans	-154.3	168.7	173	65.4	-128	0	0	0	111	H183 N191 C193	H181-H183 AromaticContact CD2-CD2 3.56Å; H181-H183 AromaticContact NE2-CD2 3.38Å; H181-H183 PolarHBondContact NE2-CD2 3.4Å; H181-H183 AromaticContact NE2-CG 3.93Å; H181-N191 PolarHBondContact N-O 2.95Å; H181-C193 PolarHBondContact CE1-O 3.27Å; H181-C193 PolarHBondContact NE2-N 3.12Å; H181-C193 VanDerWaalsContact NE2-N 3.13Å
182	S	92.9	Very high	92	Very high	115 Å²	115	69.8 Å²	69.8	80%	0.804	36%	0.357	S	S	*	.			trans	-94.4	146.2	165.4	-55.5	0	0	0	0	110.6
183	H	93.6	Very high	92.4	Very high	41 Å²	41	63.8 Å²	63.8	19%	0.19	33%	0.325	C	S	.	.			trans	-152.8	168.5	-179.6	62.4	69.8	0	0	0	111.9	H181 C185 P189 M192 C193	H181-H183 AromaticContact CD2-CD2 3.56Å; H181-H183 AromaticContact NE2-CD2 3.38Å; H181-H183 PolarHBondContact NE2-CD2 3.4Å; H181-H183 AromaticContact NE2-CG 3.93Å; H183-C185 PolarHBondContact ND1-N 3.16Å; H183-P189 PolarHBondContact CE1-O 2.97Å; H183-P189 PolarHBondContact NE2-O 3.37Å; H183-M192 VanDerWaalsContact NE2-C 3.33Å; H183-C193 HydrophobicContact CB-CB 4.2Å; H183-C193 VanDerWaalsContact CD2-CB 3.4Å; H183-C193 WeakPolarHBondContact CD2-CB 3.39Å; H183-C193 PolarHBondContact CD2-N 3.45Å; H183-C193 PolarHBondContact NE2-N 2.84Å
184	E	93	Very high	92.8	Very high	181 Å²	181	62.1 Å²	62.1	85%	0.846	31%	0.307	S	S	*	.			trans	-106.8	7.1	-180	-64.1	171.8	-178.9	0	0	113.1	Q186	E184-Q186 PolarHBondContact O-N 2.9Å; E184-Q186 PolarHBondContact O-NE2 3.22Å; E184-Q186 VanDerWaalsContact O-NE2 3.12Å
185	C	92.6	Very high	93	Very high	35 Å²	35	61.2 Å²	61.2	24%	0.236	31%	0.306	C	S	.	.			trans	-63.9	121.1	177.9	-175.8	0	0	0	0	111.2	H183 R187 C188 C193	H183-C185 PolarHBondContact ND1-N 3.16Å; C185-R187 VanDerWaalsContact C-N 3.27Å; C185-R187 PolarHBondContact O-N 3.41Å; C185-C188 HydrophobicContact CB-CB 4.27Å; C185-C188 VanDerWaalsContact SG-SG 3.69Å; C185-C193 HydrophobicContact CB-CB 4.12Å
186	Q	90.4	Very high	93.1	Very high	164 Å²	164	62.6 Å²	62.6	77%	0.766	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-6.9	-179.4	-58.1	-59.9	-45.4	0	0	114.1	E184	E184-Q186 PolarHBondContact O-N 2.9Å; E184-Q186 PolarHBondContact O-NE2 3.22Å; E184-Q186 VanDerWaalsContact O-NE2 3.12Å
187	R	87.4	Confident	93.3	Very high	158 Å²	158	61.2 Å²	61.2	60%	0.596	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-17.3	-177.4	-62.5	-177.7	-178.9	-173.1	-0	113.4	C185	C185-R187 VanDerWaalsContact C-N 3.27Å; C185-R187 PolarHBondContact O-N 3.41Å
188	C	91.1	Very high	93.6	Very high	16 Å²	16	60.9 Å²	60.9	11%	0.108	30%	0.304	C	S	.	.	S	Bend	trans	-106.1	150.8	-172.6	-67.6	0	0	0	0	110.5	C185 C193 C227	C185-C188 HydrophobicContact CB-CB 4.27Å; C185-C188 VanDerWaalsContact SG-SG 3.69Å; C188-C193 HydrophobicContact CB-CB 3.95Å; C188-C227 VanDerWaalsContact SG-SG 3.7Å
189	P	89.5	Confident	93.8	Very high	29 Å²	29	60.6 Å²	60.6	19%	0.188	30%	0.303	C	S	.	.			trans	-63.8	150.4	173.1	29.1	-34.7	0	0	0	110.8	H183 N191 M192	H183-P189 PolarHBondContact CE1-O 2.97Å; H183-P189 PolarHBondContact NE2-O 3.37Å; P189-N191 WeakPolarHBondContact CB-OD1 3.44Å; P189-N191 PolarHBondContact O-N 3.15Å; P189-M192 PolarHBondContact O-N 3.14Å
190	D	90.2	Very high	94	Very high	109 Å²	109	60.9 Å²	60.9	58%	0.583	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.9	-168.2	-66.1	-17.4	0	0	0	114.9
191	N	90.9	Very high	94.2	Very high	10 Å²	10	58 Å²	58	5%	0.053	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-21.6	-173	64.7	-70.5	0	0	0	114.2	N85 D140 N165 P179 F180 H181 P189	N85-N191 HydrophobicContact CB-CB 4.02Å; N85-N191 PolarHBondContact ND2-ND2 3.1Å; D140-N191 PolarHBondContact OD1-ND2 2.77Å; N165-N191 PolarHBondContact ND2-ND2 3.25Å; N165-N191 VanDerWaalsContact ND2-ND2 3.15Å; N165-N191 PolarHBondContact OD1-ND2 3.15Å; P179-N191 HydrophobicContact CB-CB 3.85Å; F180-N191 PolarHBondContact N-O 3.48Å; H181-N191 PolarHBondContact N-O 2.95Å; P189-N191 WeakPolarHBondContact CB-OD1 3.44Å; P189-N191 PolarHBondContact O-N 3.15Å
192	M	94.1	Very high	94.3	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.015	29%	0.285	C	S	.	.			trans	-166.9	129.1	-177.9	-169.9	172.8	-176.2	0	0	113.6	V138 S139 D140 F163 F180 H183 P189 V197	V138-M192 HydrophobicContact CG1-CE 3.58Å; S139-M192 VanDerWaalsContact O-SD 3.4Å; D140-M192 WeakPolarHBondContact OD1-CB 3.24Å; F163-M192 HydrophobicContact CB-CE 4.11Å; F180-M192 HydrophobicContact CB-CB 4.31Å; F180-M192 HydrophobicContact CB-CG 4.17Å; F180-M192 HydrophobicContact CB-SD 4.15Å; F180-M192 HydrophobicContact CD1-CE 4.02Å; F180-M192 HydrophobicContact CD1-CG 4.12Å; F180-M192 HydrophobicContact CD1-SD 4.33Å; F180-M192 HydrophobicContact CE1-CE 4.47Å; F180-M192 HydrophobicContact CG-CE 4.37Å; F180-M192 HydrophobicContact CG-CG 4.49Å; F180-M192 HydrophobicContact CG-SD 4.33Å; H183-M192 VanDerWaalsContact NE2-C 3.33Å; P189-M192 PolarHBondContact O-N 3.14Å; M192-V197 HydrophobicContact CE-CG2 3.76Å
193	C	96.4	Very high	94.6	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.007	27%	0.27	C	S	.	.			trans	-108.8	108.1	165.1	180	0	0	0	0	110.6	H181 H183 C185 C188 Q195 V196 V197	H181-C193 PolarHBondContact CE1-O 3.27Å; H181-C193 PolarHBondContact NE2-N 3.12Å; H181-C193 VanDerWaalsContact NE2-N 3.13Å; H183-C193 HydrophobicContact CB-CB 4.2Å; H183-C193 VanDerWaalsContact CD2-CB 3.4Å; H183-C193 WeakPolarHBondContact CD2-CB 3.39Å; H183-C193 PolarHBondContact CD2-N 3.45Å; H183-C193 PolarHBondContact NE2-N 2.84Å; C185-C193 HydrophobicContact CB-CB 4.12Å; C188-C193 HydrophobicContact CB-CB 3.95Å; C193-Q195 PolarHBondContact O-N 3.25Å; C193-V196 HydrophobicContact CB-CB 4.25Å; C193-V196 HydrophobicContact CB-CG2 3.99Å; C193-V196 PolarHBondContact O-N 2.94Å; C193-V197 PolarHBondContact O-N 3.49Å
194	K	97.6	Very high	94.7	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.017	28%	0.276	C	S	.	.	H	α-helix	trans	-60.3	-32.5	-179.7	-58.2	-168.6	-167.7	178.2	0	112.7	D48 V138 V197 V198 Y218 N224 D225 P228	D48-K194 IonicContact OD1-NZ 2.77Å; D48-K194 PolarHBondContact OD1-NZ 2.88Å; D48-K194 IonicContact OD2-NZ 3.21Å; D48-K194 PolarHBondContact OD2-NZ 2.9Å; V138-K194 HydrophobicContact CG1-CB 3.84Å; V138-K194 HydrophobicContact CG1-CD 4.18Å; V138-K194 HydrophobicContact CG1-CG 3.85Å; K194-V197 PolarHBondContact O-N 3.37Å; K194-V198 WeakPolarHBondContact O-CG2 3.21Å; K194-V198 PolarHBondContact O-N 3.47Å; K194-Y218 VanDerWaalsContact CD-OH 3.22Å; K194-Y218 WeakPolarHBondContact CD-OH 3.33Å; K194-N224 WeakPolarHBondContact CE-ND2 3.37Å; K194-N224 PolarHBondContact NZ-ND2 2.94Å; K194-N224 VanDerWaalsContact NZ-ND2 3.16Å; K194-D225 WeakPolarHBondContact CD-OD1 3.5Å; K194-D225 IonicContact NZ-OD1 3.24Å; K194-D225 PolarHBondContact NZ-OD1 3.23Å; K194-D225 IonicContact NZ-OD2 3.96Å; K194-P228 HydrophobicContact CB-CB 4.24Å; K194-P228 HydrophobicContact CB-CG 3.74Å
195	Q	97.5	Very high	94.8	Very high	54 Å²	54	48.7 Å²	48.7	25%	0.252	24%	0.239	S	C	.	.	H	α-helix	trans	-61.6	-45.3	176	-172.6	-173.8	-52	0	0	112.4	C193 V197 V198 R199 C227 P228	C193-Q195 PolarHBondContact O-N 3.25Å; Q195-V197 VanDerWaalsContact C-N 3.31Å; Q195-V197 PolarHBondContact O-N 2.93Å; Q195-V198 PolarHBondContact O-N 3.31Å; Q195-R199 WeakPolarHBondContact O-CB 3.21Å; Q195-R199 PolarHBondContact O-N 3.17Å; Q195-C227 HydrophobicContact CB-CB 4.34Å; Q195-C227 VanDerWaalsContact CB-SG 3.55Å; Q195-C227 PolarHBondContact OE1-O 3.46Å; Q195-C227 PolarHBondContact OE1-SG 3.01Å; Q195-P228 HydrophobicContact CB-CB 4.43Å
196	V	97.6	Very high	94.9	Very high	30 Å²	30	48.9 Å²	48.9	18%	0.182	24%	0.239	C	C	.	.	H	α-helix	trans	-60.8	-45.2	177.6	173	0	0	0	0	109.6	C193 V198 R199 D200	C193-V196 HydrophobicContact CB-CB 4.25Å; C193-V196 HydrophobicContact CB-CG2 3.99Å; C193-V196 PolarHBondContact O-N 2.94Å; V196-V198 PolarHBondContact O-N 3.27Å; V196-R199 PolarHBondContact O-N 3.25Å; V196-D200 WeakPolarHBondContact CG1-OD2 3.41Å; V196-D200 VanDerWaalsContact O-CB 3.29Å; V196-D200 WeakPolarHBondContact O-CB 3.33Å; V196-D200 PolarHBondContact O-N 3.33Å
197	V	98.1	Very high	95.1	Very high	9 Å²	9	48.8 Å²	48.8	6%	0.055	24%	0.238	C	C	.	.	H	α-helix	trans	-58.1	-51.6	176.7	-178	0	0	0	0	111.9	V138 F163 F180 M192 C193 K194 Q195 Y201	V138-V197 HydrophobicContact CG1-CB 4.14Å; V138-V197 HydrophobicContact CG1-CG1 4.05Å; V138-V197 HydrophobicContact CG2-CG1 4.12Å; F163-V197 HydrophobicContact CB-CG1 3.6Å; F163-V197 HydrophobicContact CD1-CG1 4.01Å; F163-V197 HydrophobicContact CD2-CG1 3.6Å; F163-V197 HydrophobicContact CE2-CG1 4.25Å; F163-V197 HydrophobicContact CG-CG1 3.44Å; F163-V197 VanDerWaalsContact CG-CG1 3.44Å; F180-V197 HydrophobicContact CD1-CG2 3.97Å; F180-V197 HydrophobicContact CE1-CG2 3.54Å; M192-V197 HydrophobicContact CE-CG2 3.76Å; C193-V197 PolarHBondContact O-N 3.49Å; K194-V197 PolarHBondContact O-N 3.37Å; Q195-V197 VanDerWaalsContact C-N 3.31Å; Q195-V197 PolarHBondContact O-N 2.93Å; V197-Y201 WeakPolarHBondContact O-CB 3.23Å; V197-Y201 PolarHBondContact O-N 3.22Å
198	V	98.3	Very high	95.4	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.018	23%	0.233	C	C	.	.	H	α-helix	trans	-60	-49.7	-178.6	167.5	0	0	0	0	110.8	F46 V138 K194 Q195 V196 Y201 V202 Y218 P228	F46-V198 HydrophobicContact CD1-CG2 4.05Å; F46-V198 HydrophobicContact CD2-CG1 4.29Å; F46-V198 HydrophobicContact CD2-CG2 4.43Å; F46-V198 HydrophobicContact CE1-CG2 4.15Å; F46-V198 HydrophobicContact CE2-CG1 3.89Å; F46-V198 HydrophobicContact CG-CG2 4.17Å; F46-V198 HydrophobicContact CZ-CB 4.47Å; F46-V198 HydrophobicContact CZ-CG1 4.06Å; F46-V198 HydrophobicContact CZ-CG2 4.37Å; V138-V198 HydrophobicContact CG2-CG2 4.42Å; K194-V198 WeakPolarHBondContact O-CG2 3.21Å; K194-V198 PolarHBondContact O-N 3.47Å; Q195-V198 PolarHBondContact O-N 3.31Å; V196-V198 PolarHBondContact O-N 3.27Å; V198-Y201 PolarHBondContact O-N 2.9Å; V198-V202 HydrophobicContact CG1-CG2 4.49Å; V198-V202 WeakPolarHBondContact O-CB 3.35Å; V198-V202 VanDerWaalsContact O-CG2 3.23Å; V198-V202 WeakPolarHBondContact O-CG2 3.29Å; V198-V202 PolarHBondContact O-N 3.09Å; V198-Y218 HydrophobicContact CG2-CD2 4.18Å; V198-Y218 HydrophobicContact CG2-CE2 3.9Å; V198-P228 HydrophobicContact CB-CB 4.49Å; V198-P228 HydrophobicContact CG2-CB 4.03Å
199	R	97.6	Very high	95.4	Very high	132 Å²	132	46.4 Å²	46.4	50%	0.498	23%	0.231	S	C	.	.	H	α-helix	trans	-60.3	-51.9	-179.4	-177.3	-167.2	67.2	-164.1	-3.3	111.5	Q195 V196 Y201 V202 A203	Q195-R199 WeakPolarHBondContact O-CB 3.21Å; Q195-R199 PolarHBondContact O-N 3.17Å; V196-R199 PolarHBondContact O-N 3.25Å; R199-Y201 VanDerWaalsContact C-N 3.31Å; R199-Y201 PolarHBondContact O-N 3.41Å; R199-V202 PolarHBondContact O-N 3.41Å; R199-A203 WeakPolarHBondContact O-CB 3.41Å; R199-A203 PolarHBondContact O-N 2.88Å
200	D	97.6	Very high	95.7	Very high	78 Å²	78	48.4 Å²	48.4	42%	0.417	26%	0.257	S	S	.	.	H	α-helix	trans	-67.7	-36.7	-175.1	-65.8	1	0	0	0	110.6	V196 R204	V196-D200 WeakPolarHBondContact CG1-OD2 3.41Å; V196-D200 VanDerWaalsContact O-CB 3.29Å; V196-D200 WeakPolarHBondContact O-CB 3.33Å; V196-D200 PolarHBondContact O-N 3.33Å; D200-R204 WeakPolarHBondContact O-CB 3.4Å; D200-R204 PolarHBondContact O-N 2.57Å
201	Y	97.8	Very high	95.8	Very high	6 Å²	6	47.9 Å²	47.9	2%	0.024	25%	0.247	C	C	.	.	H	α-helix	trans	-64.3	-48.7	174.5	-170	-102	0	0	0	112.4	I44 F46 E134 V136 R161 F163 V197 V198 R199 R204 R205	I44-Y201 HydrophobicContact CD1-CD1 3.68Å; I44-Y201 HydrophobicContact CD1-CE1 3.54Å; F46-Y201 AromaticContact CE1-CD1 3.94Å; F46-Y201 HydrophobicContact CE1-CD1 3.94Å; F46-Y201 AromaticContact CZ-CD1 3.93Å; F46-Y201 HydrophobicContact CZ-CD1 3.93Å; E134-Y201 WeakPolarHBondContact OE1-CE1 3.47Å; E134-Y201 PolarHBondContact OE1-OH 2.84Å; V136-Y201 HydrophobicContact CG2-CD1 4.31Å; V136-Y201 HydrophobicContact CG2-CE1 3.6Å; R161-Y201 HydrophobicContact CB-CE2 4.15Å; R161-Y201 HydrophobicContact CG-CE2 3.79Å; R161-Y201 WeakPolarHBondContact CG-OH 3.4Å; F163-Y201 HydrophobicContact CE1-CD2 4.5Å; F163-Y201 AromaticContact CE2-CD2 3.44Å; F163-Y201 HydrophobicContact CE2-CD2 3.44Å; F163-Y201 VanDerWaalsContact CE2-CD2 3.44Å; F163-Y201 AromaticContact CE2-CE2 3.69Å; F163-Y201 HydrophobicContact CE2-CE2 3.69Å; F163-Y201 AromaticContact CE2-CG 3.92Å; F163-Y201 HydrophobicContact CE2-CG 3.92Å; F163-Y201 AromaticContact CZ-CD2 3.27Å; F163-Y201 HydrophobicContact CZ-CD2 3.27Å; F163-Y201 AromaticContact CZ-CE2 3.55Å; F163-Y201 HydrophobicContact CZ-CE2 3.55Å; F163-Y201 HydrophobicContact CZ-CG 4.15Å; V197-Y201 WeakPolarHBondContact O-CB 3.23Å; V197-Y201 PolarHBondContact O-N 3.22Å; V198-Y201 PolarHBondContact O-N 2.9Å; R199-Y201 VanDerWaalsContact C-N 3.31Å; R199-Y201 PolarHBondContact O-N 3.41Å; Y201-R204 VanDerWaalsContact CD2-NH2 3.29Å; Y201-R204 PolarHBondContact O-N 2.73Å; Y201-R205 HydrophobicContact CD1-CG 3.99Å; Y201-R205 HydrophobicContact CE1-CG 3.58Å; Y201-R205 HydrophobicContact CE2-CG 4.29Å; Y201-R205 HydrophobicContact CG-CG 4.47Å; Y201-R205 WeakPolarHBondContact O-CB 3.22Å; Y201-R205 VanDerWaalsContact O-CG 3.29Å; Y201-R205 WeakPolarHBondContact O-CG 3.33Å; Y201-R205 PolarHBondContact O-N 2.73Å
202	V	97.3	Very high	96	Very high	22 Å²	22	51.8 Å²	51.8	13%	0.133	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-42.8	178.2	168.7	0	0	0	0	111.2	F46 V198 R199 R205 T206 I216	F46-V202 HydrophobicContact CE2-CG2 3.9Å; F46-V202 HydrophobicContact CZ-CG2 3.77Å; V198-V202 HydrophobicContact CG1-CG2 4.49Å; V198-V202 WeakPolarHBondContact O-CB 3.35Å; V198-V202 VanDerWaalsContact O-CG2 3.23Å; V198-V202 WeakPolarHBondContact O-CG2 3.29Å; V198-V202 PolarHBondContact O-N 3.09Å; R199-V202 PolarHBondContact O-N 3.41Å; V202-R205 PolarHBondContact O-N 2.85Å; V202-T206 VanDerWaalsContact O-CB 3.29Å; V202-T206 WeakPolarHBondContact O-CB 3.42Å; V202-T206 PolarHBondContact O-N 2.72Å; V202-T206 PolarHBondContact O-OG1 3.36Å; V202-I216 HydrophobicContact CG1-CD1 3.86Å; V202-I216 HydrophobicContact CG2-CD1 4Å
203	A	97.2	Very high	96.1	Very high	58 Å²	58	52.5 Å²	52.5	48%	0.479	28%	0.276	S	S	.	.	H	α-helix	trans	-60.5	-49.8	177.5	0	0	0	0	0	111.2	R199 R205 T206 Q207	R199-A203 WeakPolarHBondContact O-CB 3.41Å; R199-A203 PolarHBondContact O-N 2.88Å; A203-R205 PolarHBondContact O-N 2.84Å; A203-T206 WeakPolarHBondContact O-CB 3.4Å; A203-T206 PolarHBondContact O-N 2.85Å; A203-Q207 PolarHBondContact O-N 3.38Å
204	R	96.5	Very high	96.1	Very high	86 Å²	86	57.2 Å²	57.2	33%	0.325	30%	0.298	S	S	.	.	H	α-helix	trans	-59.6	-47.2	176.6	-174.8	-176.8	62.4	82.7	10.4	111.9	D200 Y201 T206 Q207 E208	D200-R204 WeakPolarHBondContact O-CB 3.4Å; D200-R204 PolarHBondContact O-N 2.57Å; Y201-R204 VanDerWaalsContact CD2-NH2 3.29Å; Y201-R204 PolarHBondContact O-N 2.73Å; R204-T206 VanDerWaalsContact C-N 3.31Å; R204-T206 PolarHBondContact O-N 2.9Å; R204-Q207 PolarHBondContact O-N 2.94Å; R204-E208 WeakPolarHBondContact CG-OE1 3.41Å; R204-E208 IonicContact CZ-OE1 2.85Å; R204-E208 VanDerWaalsContact NH1-CD 3.27Å; R204-E208 IonicContact NH1-OE1 3.22Å; R204-E208 PolarHBondContact NH1-OE1 2.96Å; R204-E208 IonicContact NH1-OE2 3.96Å; R204-E208 PolarHBondContact NH1-OE2 3.31Å; R204-E208 WeakPolarHBondContact O-CG 3.29Å; R204-E208 PolarHBondContact O-N 2.76Å
205	R	94.9	Very high	96	Very high	15 Å²	15	59.8 Å²	59.8	6%	0.057	31%	0.307	C	S	.	.	H	α-helix	trans	-65.2	-34.1	178.8	-70.1	-62	-66	136.7	-0.2	112.5	E134 Y201 V202 A203 E208 R209 Y213	E134-R205 IonicContact OE1-NE 3.75Å; E134-R205 PolarHBondContact OE1-NE 3.16Å; E134-R205 IonicContact OE2-CZ 2.77Å; E134-R205 VanDerWaalsContact OE2-CZ 3.29Å; E134-R205 IonicContact OE2-NE 3.06Å; E134-R205 PolarHBondContact OE2-NE 3.16Å; E134-R205 IonicContact OE2-NH2 3.34Å; E134-R205 PolarHBondContact OE2-NH2 2.97Å; Y201-R205 HydrophobicContact CD1-CG 3.99Å; Y201-R205 HydrophobicContact CE1-CG 3.58Å; Y201-R205 HydrophobicContact CE2-CG 4.29Å; Y201-R205 HydrophobicContact CG-CG 4.47Å; Y201-R205 WeakPolarHBondContact O-CB 3.22Å; Y201-R205 VanDerWaalsContact O-CG 3.29Å; Y201-R205 WeakPolarHBondContact O-CG 3.33Å; Y201-R205 PolarHBondContact O-N 2.73Å; V202-R205 PolarHBondContact O-N 2.85Å; A203-R205 PolarHBondContact O-N 2.84Å; R205-E208 WeakPolarHBondContact CD-OE2 2.96Å; R205-E208 IonicContact CZ-OE2 3.89Å; R205-E208 IonicContact NE-OE2 2.73Å; R205-E208 IonicContact NH1-OE2 2.73Å; R205-E208 PolarHBondContact NH1-OE2 3.33Å; R205-E208 PolarHBondContact O-N 2.99Å; R205-R209 VanDerWaalsContact O-CB 3.27Å; R205-R209 WeakPolarHBondContact O-CB 3.07Å; R205-R209 WeakPolarHBondContact O-CD 3.43Å; R205-R209 WeakPolarHBondContact O-CG 3.29Å; R205-R209 PolarHBondContact O-N 3.1Å; R205-Y213 HydrophobicContact CB-CE2 3.8Å; R205-Y213 WeakPolarHBondContact CB-OH 3.41Å; R205-Y213 PolarHBondContact NE-OH 2.99Å
206	T	95.1	Very high	96	Very high	39 Å²	39	58.4 Å²	58.4	24%	0.239	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-43.8	174.9	-64.3	0	0	0	0	110.9	V202 A203 R204 R209 G210 R211 P212	V202-T206 VanDerWaalsContact O-CB 3.29Å; V202-T206 WeakPolarHBondContact O-CB 3.42Å; V202-T206 PolarHBondContact O-N 2.72Å; V202-T206 PolarHBondContact O-OG1 3.36Å; A203-T206 WeakPolarHBondContact O-CB 3.4Å; A203-T206 PolarHBondContact O-N 2.85Å; R204-T206 VanDerWaalsContact C-N 3.31Å; R204-T206 PolarHBondContact O-N 2.9Å; T206-R209 PolarHBondContact O-N 2.74Å; T206-G210 PolarHBondContact O-N 3.12Å; T206-R211 PolarHBondContact O-N 2.98Å; T206-P212 HydrophobicContact CG2-CB 4.31Å
207	Q	94.9	Very high	96.1	Very high	163 Å²	163	57 Å²	57	76%	0.762	29%	0.293	S	S	*	.	H	α-helix	trans	-63.4	-47.4	175.1	-172.9	-180	2.7	0	0	111.7	A203 R204 R209 G210	A203-Q207 PolarHBondContact O-N 3.38Å; R204-Q207 PolarHBondContact O-N 2.94Å; Q207-R209 VanDerWaalsContact C-N 3.28Å; Q207-R209 PolarHBondContact O-N 2.74Å; Q207-G210 PolarHBondContact O-N 3.23Å
208	E	93.1	Very high	96.1	Very high	101 Å²	101	56.6 Å²	56.6	47%	0.472	29%	0.29	S	S	.	.	H	α-helix	trans	-62	-33.3	179.1	-72.9	171.6	-178.3	0	0	113.2	R204 R205	R204-E208 WeakPolarHBondContact CG-OE1 3.41Å; R204-E208 IonicContact CZ-OE1 2.85Å; R204-E208 VanDerWaalsContact NH1-CD 3.27Å; R204-E208 IonicContact NH1-OE1 3.22Å; R204-E208 PolarHBondContact NH1-OE1 2.96Å; R204-E208 IonicContact NH1-OE2 3.96Å; R204-E208 PolarHBondContact NH1-OE2 3.31Å; R204-E208 WeakPolarHBondContact O-CG 3.29Å; R204-E208 PolarHBondContact O-N 2.76Å; R205-E208 WeakPolarHBondContact CD-OE2 2.96Å; R205-E208 IonicContact CZ-OE2 3.89Å; R205-E208 IonicContact NE-OE2 2.73Å; R205-E208 IonicContact NH1-OE2 2.73Å; R205-E208 PolarHBondContact NH1-OE2 3.33Å; R205-E208 PolarHBondContact O-N 2.99Å
209	R	91.8	Very high	96.2	Very high	22 Å²	22	56.4 Å²	56.4	8%	0.083	29%	0.289	C	S	.	.	H	α-helix	trans	-88.8	-13.4	-179.5	-67.5	171.1	61.3	-112.4	1.8	113.4	P39 K41 R205 T206 Q207 R211 P212	P39-R209 HydrophobicContact CB-CG 4.27Å; P39-R209 PolarHBondContact O-NE 2.77Å; P39-R209 VanDerWaalsContact O-NE 3.07Å; K41-R209 PolarHBondContact O-NH2 2.98Å; R205-R209 VanDerWaalsContact O-CB 3.27Å; R205-R209 WeakPolarHBondContact O-CB 3.07Å; R205-R209 WeakPolarHBondContact O-CD 3.43Å; R205-R209 WeakPolarHBondContact O-CG 3.29Å; R205-R209 PolarHBondContact O-N 3.1Å; T206-R209 PolarHBondContact O-N 2.74Å; Q207-R209 VanDerWaalsContact C-N 3.28Å; Q207-R209 PolarHBondContact O-N 2.74Å; R209-R211 HydrophobicContact CB-CG 4.42Å; R209-R211 PolarHBondContact NH1-O 2.83Å; R209-R211 PolarHBondContact O-N 3.23Å; R209-P212 PolarHBondContact NH1-O 3.1Å
210	G	94.5	Very high	96.2	Very high	71 Å²	71	50.1 Å²	50.1	73%	0.732	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	10	-172.4	0	0	0	0	0	114.8	T206 Q207	T206-G210 PolarHBondContact O-N 3.12Å; Q207-G210 PolarHBondContact O-N 3.23Å
211	R	94.2	Very high	96.2	Very high	99 Å²	99	46.8 Å²	46.8	37%	0.374	25%	0.247	S	C	.	.	S	Bend	trans	-158	151.7	-179.8	62.7	179.7	179.2	148.1	2	111.3	P39 D40 T206 R209	P39-R211 PolarHBondContact O-NH2 3.25Å; D40-R211 PolarHBondContact O-NH2 2.65Å; T206-R211 PolarHBondContact O-N 2.98Å; R209-R211 HydrophobicContact CB-CG 4.42Å; R209-R211 PolarHBondContact NH1-O 2.83Å; R209-R211 PolarHBondContact O-N 3.23Å
212	P	94.8	Very high	96	Very high	91 Å²	91	46.8 Å²	46.8	59%	0.591	25%	0.25	S	C	*	.			trans	-68.7	167.1	175.7	28.9	-35.1	0	0	0	112	T206 R209	T206-P212 HydrophobicContact CG2-CB 4.31Å; R209-P212 PolarHBondContact NH1-O 3.1Å
213	Y	95.8	Very high	95.9	Very high	19 Å²	19	48.6 Å²	48.6	8%	0.075	27%	0.267	C	S	.	.			trans	-71	150.6	163.6	-68.7	-78	0	0	0	109.6	I44 E134 R205 R215	I44-Y213 HydrophobicContact CB-CD1 4Å; I44-Y213 HydrophobicContact CB-CD2 4.11Å; I44-Y213 HydrophobicContact CB-CE1 3.92Å; I44-Y213 HydrophobicContact CB-CE2 4.02Å; I44-Y213 HydrophobicContact CB-CG 4.08Å; I44-Y213 HydrophobicContact CD1-CE2 4.03Å; I44-Y213 HydrophobicContact CG2-CD1 4.11Å; I44-Y213 HydrophobicContact CG2-CD2 3.59Å; I44-Y213 HydrophobicContact CG2-CE1 4.42Å; I44-Y213 HydrophobicContact CG2-CE2 3.92Å; I44-Y213 HydrophobicContact CG2-CG 3.68Å; E134-Y213 HydrophobicContact CB-CE1 4.47Å; E134-Y213 PolarHBondContact OE1-OH 3.12Å; E134-Y213 PolarHBondContact OE2-OH 2.85Å; R205-Y213 HydrophobicContact CB-CE2 3.8Å; R205-Y213 WeakPolarHBondContact CB-OH 3.41Å; R205-Y213 PolarHBondContact NE-OH 2.99Å; Y213-R215 VanDerWaalsContact C-N 3.34Å
214	Q	95.3	Very high	95.7	Very high	100 Å²	100	48.4 Å²	48.4	47%	0.467	26%	0.258	S	S	.	.	S	Bend	trans	-69	-38.4	175.8	-65.5	-176.5	3.8	0	0	111.2	R42 F43	R42-Q214 HydrophobicContact CB-CG 4.37Å; R42-Q214 PolarHBondContact O-N 3.26Å; F43-Q214 HydrophobicContact CD1-CB 4.07Å; F43-Q214 HydrophobicContact CE1-CB 3.78Å
215	R	96.5	Very high	95.7	Very high	58 Å²	58	44.3 Å²	44.3	22%	0.219	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	148.6	174.9	-59.7	-173.4	-171.3	-96.4	9	110.5	F43 I44 Y213 F217 R235 E284	F43-R215 HydrophobicContact CD1-CB 3.94Å; F43-R215 HydrophobicContact CD1-CG 4.43Å; F43-R215 HydrophobicContact CE1-CB 4.3Å; F43-R215 HydrophobicContact CE1-CG 4.29Å; I44-R215 PolarHBondContact N-O 3.38Å; Y213-R215 VanDerWaalsContact C-N 3.34Å; R215-F217 HydrophobicContact CB-CE1 4.33Å; R215-F217 HydrophobicContact CB-CE2 4.32Å; R215-F217 HydrophobicContact CB-CZ 3.95Å; R215-R235 WeakPolarHBondContact CD-O 3.4Å; R215-R235 PolarHBondContact NH1-O 2.67Å; R215-E284 IonicContact NH2-OE2 2.77Å; R215-E284 PolarHBondContact NH2-OE2 3.07Å
216	I	98.3	Very high	95.8	Very high	24 Å²	24	44.6 Å²	44.6	12%	0.123	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	137.5	171	-56.5	168.4	0	0	0	108.1	I44 F46 V202 L232 D236 L237	I44-I216 HydrophobicContact CG2-CB 4.15Å; I44-I216 HydrophobicContact CG2-CG1 3.75Å; I44-I216 HydrophobicContact CG2-CG2 4.06Å; F46-I216 HydrophobicContact CD2-CG2 3.95Å; F46-I216 HydrophobicContact CE2-CG2 3.78Å; V202-I216 HydrophobicContact CG1-CD1 3.86Å; V202-I216 HydrophobicContact CG2-CD1 4Å; I216-L232 HydrophobicContact CB-CD2 4.03Å; I216-L232 HydrophobicContact CG2-CD2 3.5Å; I216-D236 HydrophobicContact CB-CB 4.21Å; I216-D236 PolarHBondContact N-OD1 3.23Å; I216-D236 WeakPolarHBondContact O-CA 3.43Å; I216-D236 VanDerWaalsContact O-CB 3.26Å; I216-D236 WeakPolarHBondContact O-CB 3.1Å; I216-L237 PolarHBondContact O-N 2.89Å
217	F	98.6	Very high	95.9	Very high	1 Å²	1	43 Å²	43	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	136.2	176.9	-55	-71.4	0	0	0	109.3	F43 I44 I45 F46 F133 R215 L237 F239 L278 L281	F43-F217 HydrophobicContact CB-CD2 4.21Å; F43-F217 HydrophobicContact CB-CE2 3.63Å; F43-F217 HydrophobicContact CD1-CE2 4.05Å; F43-F217 HydrophobicContact CD1-CZ 4.36Å; F43-F217 HydrophobicContact CD2-CE2 4.47Å; F43-F217 AromaticContact CG-CE2 3.8Å; F43-F217 HydrophobicContact CG-CE2 3.8Å; F43-F217 HydrophobicContact CG-CZ 4.45Å; I44-F217 WeakPolarHBondContact O-CD2 3.11Å; I44-F217 PolarHBondContact O-N 3.42Å; I45-F217 WeakPolarHBondContact CA-O 3.11Å; I45-F217 HydrophobicContact CB-CB 3.87Å; I45-F217 HydrophobicContact CB-CD2 4.24Å; I45-F217 HydrophobicContact CD1-CB 4.06Å; I45-F217 HydrophobicContact CG1-CB 3.71Å; F46-F217 PolarHBondContact N-O 3.2Å; F133-F217 HydrophobicContact CD1-CD2 4.47Å; F133-F217 HydrophobicContact CD1-CE2 4.35Å; F133-F217 HydrophobicContact CE1-CD2 4.11Å; F133-F217 AromaticContact CE1-CE2 3.69Å; F133-F217 HydrophobicContact CE1-CE2 3.69Å; R215-F217 HydrophobicContact CB-CE1 4.33Å; R215-F217 HydrophobicContact CB-CE2 4.32Å; R215-F217 HydrophobicContact CB-CZ 3.95Å; F217-L237 WeakPolarHBondContact CA-O 3.35Å; F217-L237 HydrophobicContact CD1-CB 3.96Å; F217-L237 HydrophobicContact CD1-CD1 3.91Å; F217-L237 HydrophobicContact CD1-CD2 4.42Å; F217-L237 HydrophobicContact CD1-CG 4.28Å; F217-L237 HydrophobicContact CE1-CB 4.39Å; F217-L237 HydrophobicContact CE1-CD1 3.51Å; F217-L237 HydrophobicContact CE1-CD2 4.16Å; F217-L237 HydrophobicContact CE1-CG 4.2Å; F217-F239 HydrophobicContact CB-CE2 4.22Å; F217-F239 AromaticContact CD1-CE2 3.79Å; F217-F239 HydrophobicContact CD1-CE2 3.79Å; F217-F239 HydrophobicContact CD1-CZ 4.47Å; F217-F239 HydrophobicContact CG-CE2 4.37Å; F217-L278 HydrophobicContact CD1-CD2 3.9Å; F217-L278 HydrophobicContact CD2-CD2 4.07Å; F217-L278 HydrophobicContact CE1-CD2 3.7Å; F217-L278 HydrophobicContact CE2-CD2 3.86Å; F217-L278 HydrophobicContact CG-CD2 4.08Å; F217-L278 HydrophobicContact CZ-CD2 3.69Å; F217-L281 HydrophobicContact CE1-CD1 3.48Å; F217-L281 VanDerWaalsContact CE1-CD1 3.48Å; F217-L281 HydrophobicContact CZ-CD1 3.75Å
218	Y	98.8	Very high	96	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	123.2	172.2	-165	-77.2	0	0	0	109.8	F46 K194 V198 D225 P228 L237 F239 M246	F46-Y218 HydrophobicContact CB-CD2 3.65Å; F46-Y218 HydrophobicContact CB-CE2 4Å; F46-Y218 HydrophobicContact CB-CG 4.39Å; F46-Y218 HydrophobicContact CG-CD2 4.35Å; K194-Y218 VanDerWaalsContact CD-OH 3.22Å; K194-Y218 WeakPolarHBondContact CD-OH 3.33Å; V198-Y218 HydrophobicContact CG2-CD2 4.18Å; V198-Y218 HydrophobicContact CG2-CE2 3.9Å; Y218-D225 HydrophobicContact CE1-CB 3.67Å; Y218-D225 WeakPolarHBondContact CE1-OD1 3.49Å; Y218-D225 PolarHBondContact OH-OD1 3.48Å; Y218-P228 HydrophobicContact CD2-CB 3.99Å; Y218-P228 HydrophobicContact CD2-CG 4.26Å; Y218-P228 HydrophobicContact CE1-CG 4.08Å; Y218-P228 HydrophobicContact CE2-CB 3.55Å; Y218-P228 HydrophobicContact CE2-CG 3.53Å; Y218-P228 VanDerWaalsContact CZ-CG 3.41Å; Y218-P228 WeakPolarHBondContact OH-CG 3.48Å; Y218-L237 PolarHBondContact N-O 3.21Å; Y218-F239 PolarHBondContact O-N 3.36Å; Y218-M246 HydrophobicContact CD1-CE 3.94Å; Y218-M246 HydrophobicContact CE1-CE 4.45Å
219	V	98.9	Very high	96.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.6	176.9	-168.1	0	0	0	0	107.8	I45 F46 F47 D48 T52 F239 W268 V274	I45-V219 HydrophobicContact CD1-CG2 3.85Å; I45-V219 HydrophobicContact CG1-CG2 4.11Å; F46-V219 PolarHBondContact O-N 3.14Å; F47-V219 WeakPolarHBondContact CA-O 3.45Å; F47-V219 HydrophobicContact CD1-CB 3.7Å; F47-V219 HydrophobicContact CD1-CG1 4.08Å; F47-V219 HydrophobicContact CD1-CG2 4.04Å; F47-V219 HydrophobicContact CE1-CB 3.83Å; F47-V219 HydrophobicContact CE1-CG1 4.06Å; F47-V219 HydrophobicContact CE1-CG2 3.71Å; F47-V219 HydrophobicContact CG-CB 4.42Å; F47-V219 HydrophobicContact CZ-CG2 4.12Å; D48-V219 PolarHBondContact N-O 2.8Å; T52-V219 HydrophobicContact CG2-CG1 4.09Å; V219-F239 HydrophobicContact CB-CB 4.34Å; V219-F239 HydrophobicContact CG1-CB 4.17Å; V219-F239 HydrophobicContact CG2-CB 4.08Å; V219-F239 HydrophobicContact CG2-CD2 4.01Å; V219-F239 HydrophobicContact CG2-CG 4.35Å; V219-W268 HydrophobicContact CG1-CZ2 4.29Å; V219-V274 HydrophobicContact CG2-CG1 4.42Å
220	G	98.4	Very high	96.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	177.7	-176.1	0	0	0	0	0	111.3	T52 D225 F239 P240 R241	T52-G220 VanDerWaalsContact OG1-C 3.28Å; T52-G220 VanDerWaalsContact OG1-CA 3.29Å; T52-G220 WeakPolarHBondContact OG1-CA 3.3Å; G220-D225 WeakPolarHBondContact CA-OD2 3.29Å; G220-F239 PolarHBondContact N-O 3.35Å; G220-P240 CarbonylContact O-C 3.46Å; G220-P240 WeakPolarHBondContact O-CA 3.17Å; G220-R241 PolarHBondContact O-N 2.86Å
221	D	97.9	Very high	96.3	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.037	17%	0.165	C	C	.	.			trans	-135.6	-37.6	-178	73	-75.4	0	0	0	112	E51 T52 D225 R241 F244 P245 M246	E51-D221 HydrophobicContact CB-CB 4.4Å; E51-D221 WeakPolarHBondContact CB-OD2 3.47Å; T52-D221 PolarHBondContact OG1-N 3.26Å; T52-D221 PolarHBondContact OG1-OD1 3.32Å; D221-D225 PolarHBondContact N-OD2 3Å; D221-R241 HydrophobicContact CB-CB 3.48Å; D221-R241 VanDerWaalsContact CB-CB 3.48Å; D221-R241 HydrophobicContact CB-CG 4.36Å; D221-F244 HydrophobicContact CB-CB 4Å; D221-F244 HydrophobicContact CB-CD1 3.9Å; D221-F244 HydrophobicContact CB-CG 4.1Å; D221-F244 VanDerWaalsContact O-CB 3.3Å; D221-F244 WeakPolarHBondContact O-CB 3.27Å; D221-P245 WeakPolarHBondContact O-CD 3.11Å; D221-M246 VanDerWaalsContact C-CB 3.49Å; D221-M246 WeakPolarHBondContact O-CB 3.47Å; D221-M246 PolarHBondContact O-N 2.78Å
222	G	94.1	Very high	96.4	Very high	7 Å²	7	26.1 Å²	26.1	7%	0.072	15%	0.149	C	C	.	.	S	Bend	trans	-90.9	170.1	-162.3	0	0	0	0	0	114.7	N224 D225 M246	G222-N224 PolarHBondContact O-N 3.25Å; G222-D225 PolarHBondContact N-OD2 2.98Å; G222-D225 WeakPolarHBondContact O-CB 3.26Å; G222-D225 PolarHBondContact O-N 3.35Å; G222-M246 WeakPolarHBondContact O-CB 3.39Å
223	A	93.7	Very high	96.5	Very high	60 Å²	60	22.7 Å²	22.7	50%	0.496	13%	0.13	S	C	.	.	H	α-helix	trans	-63.6	-29.8	177.2	0	0	0	0	0	111.9	D225 F226 P245 L249	A223-D225 PolarHBondContact O-N 3.35Å; A223-F226 WeakPolarHBondContact O-CB 3.27Å; A223-F226 PolarHBondContact O-N 3.2Å; A223-P245 HydrophobicContact CB-CB 4.05Å; A223-L249 HydrophobicContact CB-CD1 3.91Å
224	N	92.8	Very high	96.5	Very high	54 Å²	54	26.2 Å²	26.2	29%	0.289	16%	0.155	S	C	.	.	H	α-helix	trans	-65.6	-16.6	173.7	62.1	-12.9	0	0	0	113.5	K194 G222 P228	K194-N224 WeakPolarHBondContact CE-ND2 3.37Å; K194-N224 PolarHBondContact NZ-ND2 2.94Å; K194-N224 VanDerWaalsContact NZ-ND2 3.16Å; G222-N224 PolarHBondContact O-N 3.25Å; N224-P228 WeakPolarHBondContact O-CD 3.41Å
225	D	97.6	Very high	96.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-91.1	-12	175.2	-67.8	-38.6	0	0	0	113.9	D48 K194 Y218 G220 D221 G222 A223 C227 P228 A229 M246	D48-D225 WeakPolarHBondContact CB-OD2 3.43Å; K194-D225 WeakPolarHBondContact CD-OD1 3.5Å; K194-D225 IonicContact NZ-OD1 3.24Å; K194-D225 PolarHBondContact NZ-OD1 3.23Å; K194-D225 IonicContact NZ-OD2 3.96Å; Y218-D225 HydrophobicContact CE1-CB 3.67Å; Y218-D225 WeakPolarHBondContact CE1-OD1 3.49Å; Y218-D225 PolarHBondContact OH-OD1 3.48Å; G220-D225 WeakPolarHBondContact CA-OD2 3.29Å; D221-D225 PolarHBondContact N-OD2 3Å; G222-D225 PolarHBondContact N-OD2 2.98Å; G222-D225 WeakPolarHBondContact O-CB 3.26Å; G222-D225 PolarHBondContact O-N 3.35Å; A223-D225 PolarHBondContact O-N 3.35Å; D225-C227 VanDerWaalsContact C-N 3.33Å; D225-C227 PolarHBondContact O-N 3.27Å; D225-P228 VanDerWaalsContact O-CD 3.29Å; D225-P228 WeakPolarHBondContact O-CD 3.21Å; D225-P228 VanDerWaalsContact O-CG 3.27Å; D225-P228 WeakPolarHBondContact O-CG 3.34Å; D225-A229 PolarHBondContact O-N 3.27Å; D225-M246 HydrophobicContact CB-CB 4.46Å; D225-M246 HydrophobicContact CB-CE 4.3Å; D225-M246 HydrophobicContact CB-CG 4.08Å; D225-M246 HydrophobicContact CB-SD 3.69Å
226	F	97.1	Very high	96.6	Very high	20 Å²	20	28.4 Å²	28.4	9%	0.088	16%	0.161	C	C	.	.	H	α-helix	trans	-64.6	-40.6	175.8	-178.3	-115.9	0	0	0	111.7	A223 A229 L230 L249 I250 T253 F261	A223-F226 WeakPolarHBondContact O-CB 3.27Å; A223-F226 PolarHBondContact O-N 3.2Å; F226-A229 PolarHBondContact O-N 3.36Å; F226-L230 HydrophobicContact CD1-CD1 4.03Å; F226-L230 HydrophobicContact CE1-CD1 3.67Å; F226-L230 HydrophobicContact CE1-CD2 4.25Å; F226-L230 HydrophobicContact CE1-CG 4.14Å; F226-L230 HydrophobicContact CE2-CD2 4.22Å; F226-L230 HydrophobicContact CE2-CG 4.4Å; F226-L230 HydrophobicContact CZ-CD1 4.06Å; F226-L230 HydrophobicContact CZ-CD2 3.77Å; F226-L230 HydrophobicContact CZ-CG 4.05Å; F226-L230 WeakPolarHBondContact O-CG 3.46Å; F226-L230 PolarHBondContact O-N 3.41Å; F226-L249 HydrophobicContact CB-CB 4.36Å; F226-L249 HydrophobicContact CB-CD1 3.75Å; F226-L249 HydrophobicContact CD1-CB 4.31Å; F226-L249 HydrophobicContact CD1-CD1 4.26Å; F226-L249 HydrophobicContact CD2-CB 3.65Å; F226-L249 HydrophobicContact CE2-CB 3.96Å; F226-L249 HydrophobicContact CG-CB 3.85Å; F226-L249 HydrophobicContact CG-CD1 3.95Å; F226-L249 HydrophobicContact CZ-CB 4.41Å; F226-I250 HydrophobicContact CD2-CG1 3.79Å; F226-I250 HydrophobicContact CE2-CG1 3.85Å; F226-T253 HydrophobicContact CZ-CG2 4.49Å; F226-T253 VanDerWaalsContact CZ-OG1 3.23Å; F226-T253 WeakPolarHBondContact CZ-OG1 3.16Å; F226-F261 HydrophobicContact CE2-CD2 4.24Å; F226-F261 HydrophobicContact CE2-CE2 4.35Å
227	C	96.2	Very high	96.6	Very high	6 Å²	6	27.3 Å²	27.3	4%	0.041	16%	0.155	C	C	.	.	H	α-helix	trans	-58	-55.1	179.8	-165.5	0	0	0	0	113	C188 Q195 D225 A229 L230	C188-C227 VanDerWaalsContact SG-SG 3.7Å; Q195-C227 HydrophobicContact CB-CB 4.34Å; Q195-C227 VanDerWaalsContact CB-SG 3.55Å; Q195-C227 PolarHBondContact OE1-O 3.46Å; Q195-C227 PolarHBondContact OE1-SG 3.01Å; D225-C227 VanDerWaalsContact C-N 3.33Å; D225-C227 PolarHBondContact O-N 3.27Å; C227-A229 VanDerWaalsContact C-N 3.27Å; C227-A229 PolarHBondContact O-N 2.97Å; C227-L230 WeakPolarHBondContact O-CB 3.41Å; C227-L230 PolarHBondContact O-N 2.99Å
228	P	97	Very high	96.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.5	-33.8	176.9	22.7	-32.9	0	0	0	113	K194 Q195 V198 Y218 N224 D225 L230 S231	K194-P228 HydrophobicContact CB-CB 4.24Å; K194-P228 HydrophobicContact CB-CG 3.74Å; Q195-P228 HydrophobicContact CB-CB 4.43Å; V198-P228 HydrophobicContact CB-CB 4.49Å; V198-P228 HydrophobicContact CG2-CB 4.03Å; Y218-P228 HydrophobicContact CD2-CB 3.99Å; Y218-P228 HydrophobicContact CD2-CG 4.26Å; Y218-P228 HydrophobicContact CE1-CG 4.08Å; Y218-P228 HydrophobicContact CE2-CB 3.55Å; Y218-P228 HydrophobicContact CE2-CG 3.53Å; Y218-P228 VanDerWaalsContact CZ-CG 3.41Å; Y218-P228 WeakPolarHBondContact OH-CG 3.48Å; N224-P228 WeakPolarHBondContact O-CD 3.41Å; D225-P228 VanDerWaalsContact O-CD 3.29Å; D225-P228 WeakPolarHBondContact O-CD 3.21Å; D225-P228 VanDerWaalsContact O-CG 3.27Å; D225-P228 WeakPolarHBondContact O-CG 3.34Å; P228-L230 VanDerWaalsContact C-N 3.29Å; P228-L230 PolarHBondContact O-N 3.29Å; P228-S231 PolarHBondContact O-N 3.22Å; P228-S231 VanDerWaalsContact O-N 3.12Å; P228-S231 PolarHBondContact O-OG 2.77Å
229	A	96.7	Very high	96.6	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-63.9	-30.8	178	0	0	0	0	0	113.7	D225 F226 C227 S231 L232 A238 M246 F261	D225-A229 PolarHBondContact O-N 3.27Å; F226-A229 PolarHBondContact O-N 3.36Å; C227-A229 VanDerWaalsContact C-N 3.27Å; C227-A229 PolarHBondContact O-N 2.97Å; A229-S231 PolarHBondContact O-N 2.96Å; A229-L232 VanDerWaalsContact O-CB 3.32Å; A229-L232 WeakPolarHBondContact O-CB 3.38Å; A229-L232 WeakPolarHBondContact O-CG 3.39Å; A229-L232 PolarHBondContact O-N 2.78Å; A229-A238 HydrophobicContact CB-CB 4.29Å; A229-M246 HydrophobicContact CB-CE 3.57Å; A229-F261 HydrophobicContact CB-CE2 3.9Å; A229-F261 HydrophobicContact CB-CZ 3.97Å
230	L	94.8	Very high	96.6	Very high	45 Å²	45	27.2 Å²	27.2	24%	0.236	16%	0.155	C	C	.	.	H	α-helix	trans	-64.9	-23.7	174.6	-70.3	167.3	0	0	0	113.7	F226 C227 P228 L232 F261	F226-L230 HydrophobicContact CD1-CD1 4.03Å; F226-L230 HydrophobicContact CE1-CD1 3.67Å; F226-L230 HydrophobicContact CE1-CD2 4.25Å; F226-L230 HydrophobicContact CE1-CG 4.14Å; F226-L230 HydrophobicContact CE2-CD2 4.22Å; F226-L230 HydrophobicContact CE2-CG 4.4Å; F226-L230 HydrophobicContact CZ-CD1 4.06Å; F226-L230 HydrophobicContact CZ-CD2 3.77Å; F226-L230 HydrophobicContact CZ-CG 4.05Å; F226-L230 WeakPolarHBondContact O-CG 3.46Å; F226-L230 PolarHBondContact O-N 3.41Å; C227-L230 WeakPolarHBondContact O-CB 3.41Å; C227-L230 PolarHBondContact O-N 2.99Å; P228-L230 VanDerWaalsContact C-N 3.29Å; P228-L230 PolarHBondContact O-N 3.29Å; L230-L232 VanDerWaalsContact C-N 3.29Å; L230-F261 HydrophobicContact CD2-CD2 3.92Å; L230-F261 HydrophobicContact CD2-CE2 4.45Å
231	S	94.2	Very high	96.6	Very high	50 Å²	50	28.6 Å²	28.6	35%	0.35	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-8.4	178.7	71.1	0	0	0	0	114	P228 A229	P228-S231 PolarHBondContact O-N 3.22Å; P228-S231 VanDerWaalsContact O-N 3.12Å; P228-S231 PolarHBondContact O-OG 2.77Å; A229-S231 PolarHBondContact O-N 2.96Å
232	L	97.4	Very high	96.7	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.026	18%	0.178	C	C	.	.			trans	-76.1	142.6	-178.4	-62.6	-177.8	0	0	0	111.5	I216 A229 L230 D236 A238 A263	I216-L232 HydrophobicContact CB-CD2 4.03Å; I216-L232 HydrophobicContact CG2-CD2 3.5Å; A229-L232 VanDerWaalsContact O-CB 3.32Å; A229-L232 WeakPolarHBondContact O-CB 3.38Å; A229-L232 WeakPolarHBondContact O-CG 3.39Å; A229-L232 PolarHBondContact O-N 2.78Å; L230-L232 VanDerWaalsContact C-N 3.29Å; L232-D236 HydrophobicContact CB-CB 3.85Å; L232-D236 HydrophobicContact CD2-CB 4.26Å; L232-D236 HydrophobicContact CG-CB 4.46Å; L232-A238 HydrophobicContact CD1-CB 4.24Å; L232-A263 HydrophobicContact CB-CB 3.58Å; L232-A263 HydrophobicContact CD1-CB 4.22Å
233	G	96.8	Very high	96.8	Very high	19 Å²	19	37.8 Å²	37.8	20%	0.196	20%	0.199	C	C	.	.			trans	-83.1	173.9	179.8	0	0	0	0	0	113.9	R235 D236 A263	G233-R235 PolarHBondContact O-N 2.83Å; G233-D236 WeakPolarHBondContact CA-OD2 3.3Å; G233-D236 PolarHBondContact N-OD2 3.41Å; G233-D236 WeakPolarHBondContact O-CB 3.49Å; G233-D236 PolarHBondContact O-N 2.8Å; G233-A263 WeakPolarHBondContact O-CA 3.43Å
234	P	96.4	Very high	97	Very high	94 Å²	94	37.2 Å²	37.2	61%	0.61	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-9.6	-177.1	27.7	-36.1	0	0	0	115.3	K262	P234-K262 WeakPolarHBondContact CA-O 3.4Å
235	R	95.5	Very high	97.2	Very high	183 Å²	183	37 Å²	37	69%	0.691	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-10.7	175.1	-62.3	-178	-177.9	-172.7	0.5	112.7	R215 G233	R215-R235 WeakPolarHBondContact CD-O 3.4Å; R215-R235 PolarHBondContact NH1-O 2.67Å; G233-R235 PolarHBondContact O-N 2.83Å
236	D	98	Very high	97.2	Very high	21 Å²	21	37 Å²	37	11%	0.112	19%	0.187	C	C	.	.	S	Bend	trans	-86.4	162.7	-179.1	-61.2	-32.3	0	0	0	109.5	I216 L232 G233 V264	I216-D236 HydrophobicContact CB-CB 4.21Å; I216-D236 PolarHBondContact N-OD1 3.23Å; I216-D236 WeakPolarHBondContact O-CA 3.43Å; I216-D236 VanDerWaalsContact O-CB 3.26Å; I216-D236 WeakPolarHBondContact O-CB 3.1Å; L232-D236 HydrophobicContact CB-CB 3.85Å; L232-D236 HydrophobicContact CD2-CB 4.26Å; L232-D236 HydrophobicContact CG-CB 4.46Å; G233-D236 WeakPolarHBondContact CA-OD2 3.3Å; G233-D236 PolarHBondContact N-OD2 3.41Å; G233-D236 WeakPolarHBondContact O-CB 3.49Å; G233-D236 PolarHBondContact O-N 2.8Å; D236-V264 PolarHBondContact O-N 3.11Å
237	L	98.4	Very high	97.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.3	-178.9	-58.9	67.4	0	0	0	111.5	I216 F217 Y218 F239 V264 V266 R277 L281	I216-L237 PolarHBondContact O-N 2.89Å; F217-L237 WeakPolarHBondContact CA-O 3.35Å; F217-L237 HydrophobicContact CD1-CB 3.96Å; F217-L237 HydrophobicContact CD1-CD1 3.91Å; F217-L237 HydrophobicContact CD1-CD2 4.42Å; F217-L237 HydrophobicContact CD1-CG 4.28Å; F217-L237 HydrophobicContact CE1-CB 4.39Å; F217-L237 HydrophobicContact CE1-CD1 3.51Å; F217-L237 HydrophobicContact CE1-CD2 4.16Å; F217-L237 HydrophobicContact CE1-CG 4.2Å; Y218-L237 PolarHBondContact N-O 3.21Å; L237-F239 HydrophobicContact CB-CD2 4.43Å; L237-F239 HydrophobicContact CB-CE2 3.91Å; L237-F239 HydrophobicContact CB-CZ 4.24Å; L237-F239 HydrophobicContact CD2-CE1 4.5Å; L237-F239 HydrophobicContact CD2-CE2 4.26Å; L237-F239 HydrophobicContact CD2-CZ 3.79Å; L237-V264 VanDerWaalsContact CA-O 3.25Å; L237-V264 WeakPolarHBondContact CA-O 3.36Å; L237-V264 HydrophobicContact CG-CB 4.18Å; L237-V266 HydrophobicContact CD2-CG2 4.17Å; L237-R277 HydrophobicContact CD2-CG 3.56Å; L237-L281 HydrophobicContact CD1-CD1 3.93Å; L237-L281 HydrophobicContact CD2-CD1 3.73Å
238	A	98.6	Very high	97.4	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	128.9	164.1	0	0	0	0	0	108.7	A229 L232 P240 M246 I250 F261 V264 V266	A229-A238 HydrophobicContact CB-CB 4.29Å; L232-A238 HydrophobicContact CD1-CB 4.24Å; A238-P240 WeakPolarHBondContact O-CD 3.37Å; A238-M246 HydrophobicContact CB-CE 4.13Å; A238-I250 HydrophobicContact CB-CD1 4.28Å; A238-F261 HydrophobicContact CB-CE1 4.38Å; A238-F261 HydrophobicContact CB-CZ 3.94Å; A238-V264 PolarHBondContact N-O 3.16Å; A238-V266 PolarHBondContact O-N 3.05Å
239	F	98.8	Very high	97.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	80.4	172.4	-65.2	-84.7	0	0	0	108.4	F217 Y218 V219 G220 L237 V266 W268 V274 R277 L278	F217-F239 HydrophobicContact CB-CE2 4.22Å; F217-F239 AromaticContact CD1-CE2 3.79Å; F217-F239 HydrophobicContact CD1-CE2 3.79Å; F217-F239 HydrophobicContact CD1-CZ 4.47Å; F217-F239 HydrophobicContact CG-CE2 4.37Å; Y218-F239 PolarHBondContact O-N 3.36Å; V219-F239 HydrophobicContact CB-CB 4.34Å; V219-F239 HydrophobicContact CG1-CB 4.17Å; V219-F239 HydrophobicContact CG2-CB 4.08Å; V219-F239 HydrophobicContact CG2-CD2 4.01Å; V219-F239 HydrophobicContact CG2-CG 4.35Å; G220-F239 PolarHBondContact N-O 3.35Å; L237-F239 HydrophobicContact CB-CD2 4.43Å; L237-F239 HydrophobicContact CB-CE2 3.91Å; L237-F239 HydrophobicContact CB-CZ 4.24Å; L237-F239 HydrophobicContact CD2-CE1 4.5Å; L237-F239 HydrophobicContact CD2-CE2 4.26Å; L237-F239 HydrophobicContact CD2-CZ 3.79Å; F239-V266 WeakPolarHBondContact CA-O 3.33Å; F239-V266 HydrophobicContact CD1-CB 3.76Å; F239-V266 HydrophobicContact CD1-CG1 4.01Å; F239-V266 WeakPolarHBondContact CD1-O 3.39Å; F239-V266 HydrophobicContact CE1-CB 3.76Å; F239-V266 HydrophobicContact CE1-CG1 3.84Å; F239-V266 HydrophobicContact CE1-CG2 4.38Å; F239-W268 VanDerWaalsContact C-CD1 3.47Å; F239-W268 PolarHBondContact O-NE1 3.34Å; F239-V274 HydrophobicContact CB-CG2 4.42Å; F239-V274 HydrophobicContact CD1-CB 4.4Å; F239-V274 HydrophobicContact CD1-CG1 4.19Å; F239-V274 HydrophobicContact CD1-CG2 3.98Å; F239-V274 HydrophobicContact CD2-CG1 4.35Å; F239-V274 HydrophobicContact CE1-CB 4.45Å; F239-V274 HydrophobicContact CE1-CG1 4.11Å; F239-V274 HydrophobicContact CE2-CG1 4.25Å; F239-V274 HydrophobicContact CG-CG1 4.31Å; F239-V274 HydrophobicContact CG-CG2 4.28Å; F239-V274 HydrophobicContact CZ-CG1 4.13Å; F239-R277 HydrophobicContact CE1-CB 3.77Å; F239-R277 HydrophobicContact CE1-CG 3.84Å; F239-R277 HydrophobicContact CZ-CB 4Å; F239-R277 HydrophobicContact CZ-CG 3.8Å; F239-L278 HydrophobicContact CE2-CD2 4.45Å; F239-L278 HydrophobicContact CZ-CD2 4.35Å
240	P	98.7	Very high	97.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	138	173.9	32.6	-35.6	0	0	0	110.2	G220 A238 R242 M246 H247 I250 T265 P267 W268	G220-P240 CarbonylContact O-C 3.46Å; G220-P240 WeakPolarHBondContact O-CA 3.17Å; A238-P240 WeakPolarHBondContact O-CD 3.37Å; P240-R242 PolarHBondContact O-N 3.46Å; P240-M246 HydrophobicContact CB-CB 4.07Å; P240-M246 HydrophobicContact CB-CE 4.44Å; P240-M246 HydrophobicContact CB-CG 3.85Å; P240-M246 HydrophobicContact CB-SD 3.72Å; P240-H247 HydrophobicContact CB-CB 3.9Å; P240-H247 HydrophobicContact CG-CB 4.25Å; P240-I250 HydrophobicContact CB-CD1 4.15Å; P240-I250 HydrophobicContact CG-CD1 4.13Å; P240-T265 HydrophobicContact CG-CG2 3.71Å; P240-P267 HydrophobicContact CG-CB 4.44Å; P240-P267 HydrophobicContact CG-CG 4.38Å; P240-P267 VanDerWaalsContact O-CA 3.26Å; P240-P267 WeakPolarHBondContact O-CA 3.46Å; P240-W268 PolarHBondContact O-N 3.28Å
241	R	98.6	Very high	97.5	Very high	29 Å²	29	46.6 Å²	46.6	11%	0.109	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-62.3	128.7	171.5	-169.2	174.5	176.5	173.9	-0.7	108.5	E51 D55 G220 D221 D243 F244 H247 W268	E51-R241 WeakPolarHBondContact O-CD 3.46Å; E51-R241 PolarHBondContact O-NH1 3.35Å; D55-R241 IonicContact OD1-CZ 3.59Å; D55-R241 VanDerWaalsContact OD1-CZ 3.24Å; D55-R241 IonicContact OD1-NH1 2.6Å; D55-R241 PolarHBondContact OD1-NH1 2.9Å; D55-R241 IonicContact OD1-NH2 3.53Å; D55-R241 PolarHBondContact OD1-NH2 3.31Å; G220-R241 PolarHBondContact O-N 2.86Å; D221-R241 HydrophobicContact CB-CB 3.48Å; D221-R241 VanDerWaalsContact CB-CB 3.48Å; D221-R241 HydrophobicContact CB-CG 4.36Å; R241-D243 PolarHBondContact O-N 3.17Å; R241-F244 HydrophobicContact CB-CB 4.07Å; R241-F244 HydrophobicContact CB-CD2 4.03Å; R241-F244 HydrophobicContact CB-CG 4.03Å; R241-F244 HydrophobicContact CG-CD2 3.56Å; R241-F244 HydrophobicContact CG-CE2 3.86Å; R241-F244 HydrophobicContact CG-CG 4.01Å; R241-F244 VanDerWaalsContact CZ-CZ 3.5Å; R241-F244 VanDerWaalsContact NE-CE2 3.3Å; R241-F244 WeakPolarHBondContact O-CB 3.46Å; R241-F244 PolarHBondContact O-N 3.25Å; R241-F244 VanDerWaalsContact O-N 3.16Å; R241-H247 WeakPolarHBondContact O-CB 3.36Å; R241-W268 HydrophobicContact CB-CD2 4.43Å; R241-W268 HydrophobicContact CB-CH2 4.34Å; R241-W268 HydrophobicContact CB-CZ2 3.62Å; R241-W268 HydrophobicContact CG-CD2 4.39Å; R241-W268 HydrophobicContact CG-CH2 3.96Å; R241-W268 HydrophobicContact CG-CZ2 3.75Å; R241-W268 HydrophobicContact CG-CZ3 4.35Å; R241-W268 VanDerWaalsContact N-NE1 3.14Å
242	R	98.5	Very high	97.6	Very high	111 Å²	111	49.2 Å²	49.2	42%	0.419	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	128.9	-170.1	-174.5	173.4	-58.6	-179.3	6.3	110.5	P240 F244 P267 W268 V269	P240-R242 PolarHBondContact O-N 3.46Å; R242-F244 WeakPolarHBondContact O-CD2 3.45Å; R242-F244 PolarHBondContact O-N 3.35Å; R242-P267 HydrophobicContact CB-CB 4.28Å; R242-P267 HydrophobicContact CG-CB 4.43Å; R242-P267 PolarHBondContact NH2-O 3.31Å; R242-P267 VanDerWaalsContact NH2-O 3.08Å; R242-W268 WeakPolarHBondContact CB-O 3.31Å; R242-W268 PolarHBondContact N-O 3.02Å; R242-V269 HydrophobicContact CB-CG2 3.84Å; R242-V269 HydrophobicContact CG-CG2 4.37Å
243	D	97.6	Very high	97.6	Very high	96 Å²	96	49.6 Å²	49.6	51%	0.513	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	5.9	178.6	-50.1	-35.9	0	0	0	115	R241 H247 R248	R241-D243 PolarHBondContact O-N 3.17Å; D243-H247 PolarHBondContact N-ND1 3.17Å; D243-H247 IonicContact OD1-CE1 3.29Å; D243-H247 IonicContact OD1-ND1 2.93Å; D243-R248 PolarHBondContact O-NE 2.91Å; D243-R248 PolarHBondContact O-NH2 3.4Å
244	F	97.5	Very high	97.4	Very high	47 Å²	47	52.1 Å²	52.1	21%	0.206	25%	0.245	C	C	.	.	S	Bend	trans	-84.1	166.7	170.6	-78.4	-113.2	0	0	0	111	E51 D221 R241 R242 M246 H247 R248	E51-F244 HydrophobicContact CB-CD1 4.44Å; E51-F244 HydrophobicContact CB-CE1 4.04Å; E51-F244 HydrophobicContact CG-CE1 4.36Å; D221-F244 HydrophobicContact CB-CB 4Å; D221-F244 HydrophobicContact CB-CD1 3.9Å; D221-F244 HydrophobicContact CB-CG 4.1Å; D221-F244 VanDerWaalsContact O-CB 3.3Å; D221-F244 WeakPolarHBondContact O-CB 3.27Å; R241-F244 HydrophobicContact CB-CB 4.07Å; R241-F244 HydrophobicContact CB-CD2 4.03Å; R241-F244 HydrophobicContact CB-CG 4.03Å; R241-F244 HydrophobicContact CG-CD2 3.56Å; R241-F244 HydrophobicContact CG-CE2 3.86Å; R241-F244 HydrophobicContact CG-CG 4.01Å; R241-F244 VanDerWaalsContact CZ-CZ 3.5Å; R241-F244 VanDerWaalsContact NE-CE2 3.3Å; R241-F244 WeakPolarHBondContact O-CB 3.46Å; R241-F244 PolarHBondContact O-N 3.25Å; R241-F244 VanDerWaalsContact O-N 3.16Å; R242-F244 WeakPolarHBondContact O-CD2 3.45Å; R242-F244 PolarHBondContact O-N 3.35Å; F244-M246 VanDerWaalsContact C-N 3.32Å; F244-M246 PolarHBondContact O-N 3.37Å; F244-H247 WeakPolarHBondContact O-CB 3.43Å; F244-H247 PolarHBondContact O-N 2.97Å; F244-R248 PolarHBondContact O-N 3.4Å; F244-R248 VanDerWaalsContact O-N 3.16Å
245	P	97.4	Very high	97.3	Very high	51 Å²	51	54.8 Å²	54.8	33%	0.331	25%	0.249	S	C	.	.	H	α-helix	trans	-53.9	-39.9	-171.5	-29.3	37	0	0	0	115.1	D221 A223 H247 R248 L249	D221-P245 WeakPolarHBondContact O-CD 3.11Å; A223-P245 HydrophobicContact CB-CB 4.05Å; P245-H247 VanDerWaalsContact C-N 3.31Å; P245-H247 PolarHBondContact O-N 2.96Å; P245-R248 PolarHBondContact O-N 3.34Å; P245-L249 WeakPolarHBondContact O-CB 3.42Å; P245-L249 VanDerWaalsContact O-CG 3.28Å; P245-L249 WeakPolarHBondContact O-CG 3.2Å; P245-L249 PolarHBondContact O-N 3.23Å
246	M	97.8	Very high	97.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58	-43.6	175.3	-170	-168.2	179.2	0	0	111.5	Y218 D221 G222 D225 A229 A238 P240 F244 I250	Y218-M246 HydrophobicContact CD1-CE 3.94Å; Y218-M246 HydrophobicContact CE1-CE 4.45Å; D221-M246 VanDerWaalsContact C-CB 3.49Å; D221-M246 WeakPolarHBondContact O-CB 3.47Å; D221-M246 PolarHBondContact O-N 2.78Å; G222-M246 WeakPolarHBondContact O-CB 3.39Å; D225-M246 HydrophobicContact CB-CB 4.46Å; D225-M246 HydrophobicContact CB-CE 4.3Å; D225-M246 HydrophobicContact CB-CG 4.08Å; D225-M246 HydrophobicContact CB-SD 3.69Å; A229-M246 HydrophobicContact CB-CE 3.57Å; A238-M246 HydrophobicContact CB-CE 4.13Å; P240-M246 HydrophobicContact CB-CB 4.07Å; P240-M246 HydrophobicContact CB-CE 4.44Å; P240-M246 HydrophobicContact CB-CG 3.85Å; P240-M246 HydrophobicContact CB-SD 3.72Å; F244-M246 VanDerWaalsContact C-N 3.32Å; F244-M246 PolarHBondContact O-N 3.37Å; M246-I250 HydrophobicContact CE-CD1 4Å; M246-I250 HydrophobicContact CG-CD1 3.93Å; M246-I250 WeakPolarHBondContact O-CB 3.42Å; M246-I250 WeakPolarHBondContact O-CG1 3.45Å; M246-I250 PolarHBondContact O-N 2.98Å
247	H	98.4	Very high	97.1	Very high	31 Å²	31	52.8 Å²	52.8	14%	0.144	26%	0.261	C	S	.	.	H	α-helix	trans	-63.9	-43.9	179.2	-178.1	-136.7	0	0	0	111.6	P240 R241 D243 F244 P245 I250 T251 P267	P240-H247 HydrophobicContact CB-CB 3.9Å; P240-H247 HydrophobicContact CG-CB 4.25Å; R241-H247 WeakPolarHBondContact O-CB 3.36Å; D243-H247 PolarHBondContact N-ND1 3.17Å; D243-H247 IonicContact OD1-CE1 3.29Å; D243-H247 IonicContact OD1-ND1 2.93Å; F244-H247 WeakPolarHBondContact O-CB 3.43Å; F244-H247 PolarHBondContact O-N 2.97Å; P245-H247 VanDerWaalsContact C-N 3.31Å; P245-H247 PolarHBondContact O-N 2.96Å; H247-I250 PolarHBondContact O-N 3.32Å; H247-T251 WeakPolarHBondContact O-CB 3.32Å; H247-T251 PolarHBondContact O-N 3.12Å; H247-T251 PolarHBondContact O-OG1 2.99Å; H247-P267 WeakPolarHBondContact NE2-CG 3.48Å
248	R	98.2	Very high	96.7	Very high	141 Å²	141	58 Å²	58	53%	0.532	30%	0.295	S	S	.	.	H	α-helix	trans	-64.2	-49.4	179.8	-61.6	-179.4	-163.4	167	4.4	110.8	D243 F244 P245 I250 T251 E252	D243-R248 PolarHBondContact O-NE 2.91Å; D243-R248 PolarHBondContact O-NH2 3.4Å; F244-R248 PolarHBondContact O-N 3.4Å; F244-R248 VanDerWaalsContact O-N 3.16Å; P245-R248 PolarHBondContact O-N 3.34Å; R248-I250 VanDerWaalsContact C-N 3.33Å; R248-I250 PolarHBondContact O-N 3.04Å; R248-T251 WeakPolarHBondContact O-CB 3.36Å; R248-T251 PolarHBondContact O-N 3.04Å; R248-T251 VanDerWaalsContact O-N 3.1Å; R248-E252 WeakPolarHBondContact O-CB 3.25Å; R248-E252 VanDerWaalsContact O-CG 3.31Å; R248-E252 WeakPolarHBondContact O-CG 3.26Å; R248-E252 PolarHBondContact O-N 2.88Å
249	L	97.4	Very high	96.2	Very high	49 Å²	49	60.9 Å²	60.9	26%	0.257	33%	0.325	S	S	.	.	H	α-helix	trans	-60.3	-40.4	179	-70.6	168.9	0	0	0	112.6	A223 F226 P245 T253	A223-L249 HydrophobicContact CB-CD1 3.91Å; F226-L249 HydrophobicContact CB-CB 4.36Å; F226-L249 HydrophobicContact CB-CD1 3.75Å; F226-L249 HydrophobicContact CD1-CB 4.31Å; F226-L249 HydrophobicContact CD1-CD1 4.26Å; F226-L249 HydrophobicContact CD2-CB 3.65Å; F226-L249 HydrophobicContact CE2-CB 3.96Å; F226-L249 HydrophobicContact CG-CB 3.85Å; F226-L249 HydrophobicContact CG-CD1 3.95Å; F226-L249 HydrophobicContact CZ-CB 4.41Å; P245-L249 WeakPolarHBondContact O-CB 3.42Å; P245-L249 VanDerWaalsContact O-CG 3.28Å; P245-L249 WeakPolarHBondContact O-CG 3.2Å; P245-L249 PolarHBondContact O-N 3.23Å; L249-T253 WeakPolarHBondContact O-CB 3.28Å; L249-T253 PolarHBondContact O-N 2.95Å; L249-T253 PolarHBondContact O-OG1 3.44Å
250	I	97.3	Very high	95.8	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-64.9	-44.5	175.3	-68.6	170.6	0	0	0	110.7	F226 A238 P240 M246 H247 R248 T253 H254 F261 T265	F226-I250 HydrophobicContact CD2-CG1 3.79Å; F226-I250 HydrophobicContact CE2-CG1 3.85Å; A238-I250 HydrophobicContact CB-CD1 4.28Å; P240-I250 HydrophobicContact CB-CD1 4.15Å; P240-I250 HydrophobicContact CG-CD1 4.13Å; M246-I250 HydrophobicContact CE-CD1 4Å; M246-I250 HydrophobicContact CG-CD1 3.93Å; M246-I250 WeakPolarHBondContact O-CB 3.42Å; M246-I250 WeakPolarHBondContact O-CG1 3.45Å; M246-I250 PolarHBondContact O-N 2.98Å; H247-I250 PolarHBondContact O-N 3.32Å; R248-I250 VanDerWaalsContact C-N 3.33Å; R248-I250 PolarHBondContact O-N 3.04Å; I250-T253 PolarHBondContact O-N 2.99Å; I250-H254 PolarHBondContact O-CD2 2.94Å; I250-H254 PolarHBondContact O-N 3.29Å; I250-F261 HydrophobicContact CD1-CE1 4.41Å; I250-F261 HydrophobicContact CD1-CE2 3.96Å; I250-F261 HydrophobicContact CD1-CZ 3.67Å; I250-F261 HydrophobicContact CG1-CD2 4.19Å; I250-F261 HydrophobicContact CG1-CE1 4.5Å; I250-F261 HydrophobicContact CG1-CE2 3.65Å; I250-F261 HydrophobicContact CG1-CZ 3.82Å; I250-F261 HydrophobicContact CG2-CD1 4.01Å; I250-F261 HydrophobicContact CG2-CD2 4.37Å; I250-F261 HydrophobicContact CG2-CE1 3.92Å; I250-F261 HydrophobicContact CG2-CE2 4.32Å; I250-F261 HydrophobicContact CG2-CG 4.22Å; I250-F261 HydrophobicContact CG2-CZ 4.09Å; I250-T265 HydrophobicContact CD1-CG2 4.48Å; I250-T265 HydrophobicContact CG2-CG2 3.73Å; I250-T265 WeakPolarHBondContact CG2-OG1 3.46Å
251	T	96.8	Very high	95.7	Very high	51 Å²	51	65.4 Å²	65.4	31%	0.313	35%	0.346	S	S	.	.	H	α-helix	trans	-61.3	-50.4	178.2	-57.2	0	0	0	0	111.3	H247 R248 T253 H254 E255	H247-T251 WeakPolarHBondContact O-CB 3.32Å; H247-T251 PolarHBondContact O-N 3.12Å; H247-T251 PolarHBondContact O-OG1 2.99Å; R248-T251 WeakPolarHBondContact O-CB 3.36Å; R248-T251 PolarHBondContact O-N 3.04Å; R248-T251 VanDerWaalsContact O-N 3.1Å; T251-T253 VanDerWaalsContact C-N 3.28Å; T251-T253 PolarHBondContact O-N 3.22Å; T251-H254 WeakPolarHBondContact O-CB 3.33Å; T251-H254 PolarHBondContact O-N 2.75Å; T251-H254 VanDerWaalsContact O-N 3.12Å; T251-E255 WeakPolarHBondContact O-CG 3.47Å; T251-E255 PolarHBondContact O-N 3.04Å
252	E	96.4	Very high	95.6	Very high	105 Å²	105	70.5 Å²	70.5	49%	0.491	37%	0.369	S	S	.	.	H	α-helix	trans	-58.5	-40.4	177	-71.8	167.9	-168.5	0	0	111.7	R248 E255 A256	R248-E252 WeakPolarHBondContact O-CB 3.25Å; R248-E252 VanDerWaalsContact O-CG 3.31Å; R248-E252 WeakPolarHBondContact O-CG 3.26Å; R248-E252 PolarHBondContact O-N 2.88Å; E252-E255 PolarHBondContact O-N 3.06Å; E252-A256 VanDerWaalsContact O-CB 3.23Å; E252-A256 WeakPolarHBondContact O-CB 3.37Å; E252-A256 PolarHBondContact O-N 2.94Å
253	T	95.8	Very high	95.5	Very high	14 Å²	14	65.5 Å²	65.5	9%	0.086	35%	0.351	C	S	.	.	H	α-helix	trans	-66.1	-40.7	176.8	-58.4	0	0	0	0	111.6	F226 L249 I250 T251 E255 M257 E260 F261	F226-T253 HydrophobicContact CZ-CG2 4.49Å; F226-T253 VanDerWaalsContact CZ-OG1 3.23Å; F226-T253 WeakPolarHBondContact CZ-OG1 3.16Å; L249-T253 WeakPolarHBondContact O-CB 3.28Å; L249-T253 PolarHBondContact O-N 2.95Å; L249-T253 PolarHBondContact O-OG1 3.44Å; I250-T253 PolarHBondContact O-N 2.99Å; T251-T253 VanDerWaalsContact C-N 3.28Å; T251-T253 PolarHBondContact O-N 3.22Å; T253-E255 VanDerWaalsContact C-N 3.33Å; T253-E255 PolarHBondContact O-N 3.17Å; T253-M257 HydrophobicContact CG2-CE 4.25Å; T253-M257 CarbonylContact O-C 3.34Å; T253-M257 WeakPolarHBondContact O-CA 3.34Å; T253-M257 PolarHBondContact O-N 3.28Å; T253-E260 HydrophobicContact CG2-CB 4.38Å; T253-F261 HydrophobicContact CG2-CB 4.07Å
254	H	93.4	Very high	95.5	Very high	72 Å²	72	63.6 Å²	63.6	33%	0.333	34%	0.343	S	S	.	.	H	α-helix	trans	-63.6	-38.7	175.6	-79.3	-57.9	0	0	0	112.5	I250 T251 F261 T265	I250-H254 PolarHBondContact O-CD2 2.94Å; I250-H254 PolarHBondContact O-N 3.29Å; T251-H254 WeakPolarHBondContact O-CB 3.33Å; T251-H254 PolarHBondContact O-N 2.75Å; T251-H254 VanDerWaalsContact O-N 3.12Å; H254-F261 AromaticContact CE1-CD1 3.59Å; H254-F261 PolarHBondContact CE1-O 3.2Å; H254-F261 AromaticContact NE2-CD1 3.46Å; H254-F261 WeakPolarHBondContact NE2-CD1 3.33Å; H254-T265 PolarHBondContact NE2-OG1 2.79Å
255	E	93.9	Very high	95.5	Very high	150 Å²	150	63 Å²	63	70%	0.701	34%	0.343	S	S	*	.	H	α-helix	trans	-73.1	-46.8	179.3	-70.4	176.6	176.5	0	0	112.2	T251 E252 T253	T251-E255 WeakPolarHBondContact O-CG 3.47Å; T251-E255 PolarHBondContact O-N 3.04Å; E252-E255 PolarHBondContact O-N 3.06Å; T253-E255 VanDerWaalsContact C-N 3.33Å; T253-E255 PolarHBondContact O-N 3.17Å
256	A	95.7	Very high	95.6	Very high	76 Å²	76	62.2 Å²	62.2	63%	0.628	34%	0.337	S	S	*	.	H	α-helix	trans	-76.1	-37.2	-176.5	0	0	0	0	0	112.6	E252	E252-A256 VanDerWaalsContact O-CB 3.23Å; E252-A256 WeakPolarHBondContact O-CB 3.37Å; E252-A256 PolarHBondContact O-N 2.94Å
257	M	93.3	Very high	95.6	Very high	86 Å²	86	63.8 Å²	63.8	42%	0.424	35%	0.348	S	S	.	.	S	Bend	trans	-138.3	73.3	-170.9	-59.6	179.1	-60.8	0	0	110.9	T253 G259 E260	T253-M257 HydrophobicContact CG2-CE 4.25Å; T253-M257 CarbonylContact O-C 3.34Å; T253-M257 WeakPolarHBondContact O-CA 3.34Å; T253-M257 PolarHBondContact O-N 3.28Å; M257-G259 PolarHBondContact O-N 3.39Å; M257-E260 HydrophobicContact CB-CB 3.94Å; M257-E260 VanDerWaalsContact CB-OE2 3.29Å; M257-E260 WeakPolarHBondContact CB-OE2 3.33Å; M257-E260 WeakPolarHBondContact CE-OE2 3.45Å; M257-E260 WeakPolarHBondContact O-CB 3.26Å; M257-E260 PolarHBondContact O-N 2.87Å
258	P	89.9	Confident	95.6	Very high	110 Å²	110	62.3 Å²	62.3	71%	0.714	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	125.7	-178.4	-26.1	34.6	0	0	0	112.7
259	G	88.5	Confident	95.6	Very high	60 Å²	60	59.4 Å²	59.4	62%	0.619	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	-6.6	179.8	0	0	0	0	0	115.4	M257	M257-G259 PolarHBondContact O-N 3.39Å
260	E	91.6	Very high	95.7	Very high	88 Å²	88	58.3 Å²	58.3	41%	0.411	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-45.9	173.8	-175.3	168.6	161.5	0	0	111.5	T253 M257 K262	T253-E260 HydrophobicContact CG2-CB 4.38Å; M257-E260 HydrophobicContact CB-CB 3.94Å; M257-E260 VanDerWaalsContact CB-OE2 3.29Å; M257-E260 WeakPolarHBondContact CB-OE2 3.33Å; M257-E260 WeakPolarHBondContact CE-OE2 3.45Å; M257-E260 WeakPolarHBondContact O-CB 3.26Å; M257-E260 PolarHBondContact O-N 2.87Å; E260-K262 PolarHBondContact O-N 2.96Å
261	F	94.9	Very high	95.7	Very high	7 Å²	7	58.3 Å²	58.3	3%	0.031	34%	0.335	C	S	.	.	S	Bend	trans	-80.5	107.9	172.1	-165.9	-86.8	0	0	0	110.2	F226 A229 L230 A238 I250 T253 H254 A263 T265	F226-F261 HydrophobicContact CE2-CD2 4.24Å; F226-F261 HydrophobicContact CE2-CE2 4.35Å; A229-F261 HydrophobicContact CB-CE2 3.9Å; A229-F261 HydrophobicContact CB-CZ 3.97Å; L230-F261 HydrophobicContact CD2-CD2 3.92Å; L230-F261 HydrophobicContact CD2-CE2 4.45Å; A238-F261 HydrophobicContact CB-CE1 4.38Å; A238-F261 HydrophobicContact CB-CZ 3.94Å; I250-F261 HydrophobicContact CD1-CE1 4.41Å; I250-F261 HydrophobicContact CD1-CE2 3.96Å; I250-F261 HydrophobicContact CD1-CZ 3.67Å; I250-F261 HydrophobicContact CG1-CD2 4.19Å; I250-F261 HydrophobicContact CG1-CE1 4.5Å; I250-F261 HydrophobicContact CG1-CE2 3.65Å; I250-F261 HydrophobicContact CG1-CZ 3.82Å; I250-F261 HydrophobicContact CG2-CD1 4.01Å; I250-F261 HydrophobicContact CG2-CD2 4.37Å; I250-F261 HydrophobicContact CG2-CE1 3.92Å; I250-F261 HydrophobicContact CG2-CE2 4.32Å; I250-F261 HydrophobicContact CG2-CG 4.22Å; I250-F261 HydrophobicContact CG2-CZ 4.09Å; T253-F261 HydrophobicContact CG2-CB 4.07Å; H254-F261 AromaticContact CE1-CD1 3.59Å; H254-F261 PolarHBondContact CE1-O 3.2Å; H254-F261 AromaticContact NE2-CD1 3.46Å; H254-F261 WeakPolarHBondContact NE2-CD1 3.33Å; F261-A263 HydrophobicContact CE1-CB 3.78Å; F261-A263 WeakPolarHBondContact CE1-O 3.23Å; F261-A263 HydrophobicContact CZ-CB 4.17Å; F261-T265 VanDerWaalsContact CE1-OG1 3.26Å; F261-T265 WeakPolarHBondContact CE1-OG1 3.32Å
262	K	96.6	Very high	95.8	Very high	136 Å²	136	59.3 Å²	59.3	59%	0.591	34%	0.336	S	S	*	.			trans	-84.6	-36.1	-170.1	-65.1	171.4	-173.6	169	0	113.5	P234 E260	P234-K262 WeakPolarHBondContact CA-O 3.4Å; E260-K262 PolarHBondContact O-N 2.96Å
263	A	97.6	Very high	95.9	Very high	6 Å²	6	57.2 Å²	57.2	5%	0.05	33%	0.328	C	S	.	.	S	Bend	trans	-68.7	155.8	-172.1	0	0	0	0	0	112.7	L232 G233 F261 T265	L232-A263 HydrophobicContact CB-CB 3.58Å; L232-A263 HydrophobicContact CD1-CB 4.22Å; G233-A263 WeakPolarHBondContact O-CA 3.43Å; F261-A263 HydrophobicContact CE1-CB 3.78Å; F261-A263 WeakPolarHBondContact CE1-O 3.23Å; F261-A263 HydrophobicContact CZ-CB 4.17Å; A263-T265 PolarHBondContact O-N 3.45Å
264	V	97.3	Very high	96	Very high	55 Å²	55	56.6 Å²	56.6	33%	0.333	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	116.2	174.8	178.5	0	0	0	0	108.9	D236 L237 A238 V266	D236-V264 PolarHBondContact O-N 3.11Å; L237-V264 VanDerWaalsContact CA-O 3.25Å; L237-V264 WeakPolarHBondContact CA-O 3.36Å; L237-V264 HydrophobicContact CG-CB 4.18Å; A238-V264 PolarHBondContact N-O 3.16Å; V264-V266 HydrophobicContact CG1-CG2 4.23Å
265	T	97.8	Very high	96.2	Very high	36 Å²	36	53.1 Å²	53.1	22%	0.221	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.2	-178.9	-53.2	0	0	0	0	111.1	P240 I250 H254 F261 A263 P267	P240-T265 HydrophobicContact CG-CG2 3.71Å; I250-T265 HydrophobicContact CD1-CG2 4.48Å; I250-T265 HydrophobicContact CG2-CG2 3.73Å; I250-T265 WeakPolarHBondContact CG2-OG1 3.46Å; H254-T265 PolarHBondContact NE2-OG1 2.79Å; F261-T265 VanDerWaalsContact CE1-OG1 3.26Å; F261-T265 WeakPolarHBondContact CE1-OG1 3.32Å; A263-T265 PolarHBondContact O-N 3.45Å; T265-P267 HydrophobicContact CG2-CG 4.32Å
266	V	98.1	Very high	96.4	Very high	33 Å²	33	49.3 Å²	49.3	20%	0.2	30%	0.295	C	S	.	.			trans	-131.4	90.2	178.1	-175.1	0	0	0	0	109.6	L237 A238 F239 V264 W268 R277	L237-V266 HydrophobicContact CD2-CG2 4.17Å; A238-V266 PolarHBondContact O-N 3.05Å; F239-V266 WeakPolarHBondContact CA-O 3.33Å; F239-V266 HydrophobicContact CD1-CB 3.76Å; F239-V266 HydrophobicContact CD1-CG1 4.01Å; F239-V266 WeakPolarHBondContact CD1-O 3.39Å; F239-V266 HydrophobicContact CE1-CB 3.76Å; F239-V266 HydrophobicContact CE1-CG1 3.84Å; F239-V266 HydrophobicContact CE1-CG2 4.38Å; V264-V266 HydrophobicContact CG1-CG2 4.23Å; V266-W268 PolarHBondContact O-N 3.08Å; V266-R277 HydrophobicContact CG1-CB 4.46Å; V266-R277 HydrophobicContact CG1-CG 4.41Å; V266-R277 HydrophobicContact CG2-CG 4.29Å
267	P	98.3	Very high	96.5	Very high	34 Å²	34	49.2 Å²	49.2	22%	0.221	28%	0.279	C	S	.	.			trans	-66.4	130.3	-177.3	-20.7	33	0	0	0	112.6	P240 R242 H247 T265	P240-P267 HydrophobicContact CG-CB 4.44Å; P240-P267 HydrophobicContact CG-CG 4.38Å; P240-P267 VanDerWaalsContact O-CA 3.26Å; P240-P267 WeakPolarHBondContact O-CA 3.46Å; R242-P267 HydrophobicContact CB-CB 4.28Å; R242-P267 HydrophobicContact CG-CB 4.43Å; R242-P267 PolarHBondContact NH2-O 3.31Å; R242-P267 VanDerWaalsContact NH2-O 3.08Å; H247-P267 WeakPolarHBondContact NE2-CG 3.48Å; T265-P267 HydrophobicContact CG2-CG 4.32Å
268	W	98.6	Very high	96.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-111.7	146.6	-177.3	67.7	-82.5	0	0	0	112.4	T52 M118 V219 F239 P240 R241 R242 V266 D273 V274	T52-W268 HydrophobicContact CG2-CZ2 4.31Å; T52-W268 WeakPolarHBondContact O-CH2 3.28Å; M118-W268 HydrophobicContact CE-CH2 4.23Å; M118-W268 HydrophobicContact CE-CZ3 4.5Å; V219-W268 HydrophobicContact CG1-CZ2 4.29Å; F239-W268 VanDerWaalsContact C-CD1 3.47Å; F239-W268 PolarHBondContact O-NE1 3.34Å; P240-W268 PolarHBondContact O-N 3.28Å; R241-W268 HydrophobicContact CB-CD2 4.43Å; R241-W268 HydrophobicContact CB-CH2 4.34Å; R241-W268 HydrophobicContact CB-CZ2 3.62Å; R241-W268 HydrophobicContact CG-CD2 4.39Å; R241-W268 HydrophobicContact CG-CH2 3.96Å; R241-W268 HydrophobicContact CG-CZ2 3.75Å; R241-W268 HydrophobicContact CG-CZ3 4.35Å; R241-W268 VanDerWaalsContact N-NE1 3.14Å; R242-W268 WeakPolarHBondContact CB-O 3.31Å; R242-W268 PolarHBondContact N-O 3.02Å; V266-W268 PolarHBondContact O-N 3.08Å; W268-D273 HydrophobicContact CB-CB 4.01Å; W268-V274 HydrophobicContact CB-CG2 3.88Å; W268-V274 HydrophobicContact CG-CG2 4Å
269	V	98.3	Very high	96.9	Very high	79 Å²	79	46.3 Å²	46.3	48%	0.479	25%	0.249	S	C	.	.	S	Bend	trans	-111.5	-31	170.1	-180	0	0	0	0	110.1	R242 D273	R242-V269 HydrophobicContact CB-CG2 3.84Å; R242-V269 HydrophobicContact CG-CG2 4.37Å; V269-D273 PolarHBondContact N-OD2 2.71Å
270	S	98.4	Very high	97.1	Very high	27 Å²	27	49.6 Å²	49.6	19%	0.189	25%	0.246	C	C	.	.	S	Bend	trans	-133.8	154.9	175.5	169.8	0	0	0	0	110.6	P116 E272 D273	P116-S270 CarbonylContact O-C 3.54Å; P116-S270 VanDerWaalsContact O-CA 3.27Å; P116-S270 WeakPolarHBondContact O-CA 3.19Å; P116-S270 PolarHBondContact O-OG 2.97Å; S270-E272 PolarHBondContact O-N 3.16Å; S270-E272 PolarHBondContact OG-N 2.76Å; S270-D273 PolarHBondContact N-OD2 3.29Å; S270-D273 WeakPolarHBondContact O-CB 3.45Å; S270-D273 PolarHBondContact O-N 2.83Å
271	G	98.3	Very high	97.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-53.3	-24.9	171.2	0	0	0	0	0	113.3	P116 D273 V274 I275	P116-G271 PolarHBondContact O-N 3.19Å; G271-D273 VanDerWaalsContact C-N 3.3Å; G271-D273 PolarHBondContact O-N 3.32Å; G271-V274 WeakPolarHBondContact O-CB 3.36Å; G271-V274 PolarHBondContact O-N 3.35Å; G271-I275 WeakPolarHBondContact O-CG1 3.41Å; G271-I275 PolarHBondContact O-N 3.15Å
272	E	98.1	Very high	96.9	Very high	72 Å²	72	46 Å²	46	34%	0.336	23%	0.23	S	C	.	.	H	α-helix	trans	-63.1	-31.3	174.5	-66.3	-65.8	167.3	0	0	113.7	T120 S270 V274 I275 T276	T120-E272 WeakPolarHBondContact CB-OE1 3.21Å; T120-E272 WeakPolarHBondContact CG2-OE1 3.43Å; S270-E272 PolarHBondContact O-N 3.16Å; S270-E272 PolarHBondContact OG-N 2.76Å; E272-V274 VanDerWaalsContact C-N 3.34Å; E272-I275 PolarHBondContact O-N 3.1Å; E272-T276 WeakPolarHBondContact O-CB 3.23Å; E272-T276 PolarHBondContact O-N 2.99Å; E272-T276 PolarHBondContact O-OG1 3.34Å
273	D	98.4	Very high	96.4	Very high	61 Å²	61	43.8 Å²	43.8	33%	0.326	24%	0.237	S	C	.	.	H	α-helix	trans	-65.4	-43.1	175.6	-61.2	-46	0	0	0	110.1	W268 V269 S270 G271 T276 R277	W268-D273 HydrophobicContact CB-CB 4.01Å; V269-D273 PolarHBondContact N-OD2 2.71Å; S270-D273 PolarHBondContact N-OD2 3.29Å; S270-D273 WeakPolarHBondContact O-CB 3.45Å; S270-D273 PolarHBondContact O-N 2.83Å; G271-D273 VanDerWaalsContact C-N 3.3Å; G271-D273 PolarHBondContact O-N 3.32Å; D273-T276 PolarHBondContact O-N 3.48Å; D273-R277 PolarHBondContact O-N 2.96Å
274	V	98.4	Very high	95.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.8	-47.4	175.6	-174.6	0	0	0	0	110	L121 V219 F239 W268 G271 E272 T276 R277 L278	L121-V274 HydrophobicContact CD1-CB 4.35Å; L121-V274 HydrophobicContact CD1-CG1 4.09Å; L121-V274 HydrophobicContact CD2-CB 3.89Å; L121-V274 HydrophobicContact CD2-CG1 3.87Å; L121-V274 HydrophobicContact CD2-CG2 4.33Å; V219-V274 HydrophobicContact CG2-CG1 4.42Å; F239-V274 HydrophobicContact CB-CG2 4.42Å; F239-V274 HydrophobicContact CD1-CB 4.4Å; F239-V274 HydrophobicContact CD1-CG1 4.19Å; F239-V274 HydrophobicContact CD1-CG2 3.98Å; F239-V274 HydrophobicContact CD2-CG1 4.35Å; F239-V274 HydrophobicContact CE1-CB 4.45Å; F239-V274 HydrophobicContact CE1-CG1 4.11Å; F239-V274 HydrophobicContact CE2-CG1 4.25Å; F239-V274 HydrophobicContact CG-CG1 4.31Å; F239-V274 HydrophobicContact CG-CG2 4.28Å; F239-V274 HydrophobicContact CZ-CG1 4.13Å; W268-V274 HydrophobicContact CB-CG2 3.88Å; W268-V274 HydrophobicContact CG-CG2 4Å; G271-V274 WeakPolarHBondContact O-CB 3.36Å; G271-V274 PolarHBondContact O-N 3.35Å; E272-V274 VanDerWaalsContact C-N 3.34Å; V274-T276 VanDerWaalsContact C-N 3.3Å; V274-T276 PolarHBondContact O-N 3.38Å; V274-R277 PolarHBondContact O-N 3.35Å; V274-L278 HydrophobicContact CG1-CD1 4Å; V274-L278 HydrophobicContact CG1-CG 4.18Å; V274-L278 WeakPolarHBondContact O-CG 3.47Å; V274-L278 PolarHBondContact O-N 2.96Å
275	I	98.1	Very high	95.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-55.5	-46.6	176.4	-66.3	169.9	0	0	0	110.9	T120 L121 F124 G271 E272 R277 L278 R279	T120-I275 HydrophobicContact CG2-CD1 4.02Å; L121-I275 HydrophobicContact CB-CD1 4.1Å; L121-I275 HydrophobicContact CB-CG1 3.99Å; L121-I275 HydrophobicContact CD1-CG1 3.57Å; L121-I275 HydrophobicContact CG-CG1 4.37Å; F124-I275 HydrophobicContact CB-CD1 4.13Å; F124-I275 HydrophobicContact CB-CG1 4.12Å; F124-I275 HydrophobicContact CD1-CG1 4.26Å; F124-I275 HydrophobicContact CD1-CG2 4.39Å; F124-I275 HydrophobicContact CD2-CG2 4.02Å; F124-I275 HydrophobicContact CE2-CG2 4.35Å; F124-I275 HydrophobicContact CG-CG1 4.2Å; F124-I275 HydrophobicContact CG-CG2 4.04Å; G271-I275 WeakPolarHBondContact O-CG1 3.41Å; G271-I275 PolarHBondContact O-N 3.15Å; E272-I275 PolarHBondContact O-N 3.1Å; I275-R277 VanDerWaalsContact C-N 3.28Å; I275-R277 PolarHBondContact O-N 3.49Å; I275-L278 PolarHBondContact O-N 2.83Å; I275-R279 HydrophobicContact CG2-CG 4.13Å; I275-R279 VanDerWaalsContact CG2-CZ 3.44Å; I275-R279 WeakPolarHBondContact O-CB 3.1Å; I275-R279 WeakPolarHBondContact O-CG 3.29Å; I275-R279 PolarHBondContact O-N 2.79Å
276	T	97.8	Very high	95.4	Very high	70 Å²	70	51.3 Å²	51.3	43%	0.429	27%	0.268	S	S	.	.	H	α-helix	trans	-58.1	-42.8	-179.1	-64.9	0	0	0	0	111.3	E272 D273 V274	E272-T276 WeakPolarHBondContact O-CB 3.23Å; E272-T276 PolarHBondContact O-N 2.99Å; E272-T276 PolarHBondContact O-OG1 3.34Å; D273-T276 PolarHBondContact O-N 3.48Å; V274-T276 VanDerWaalsContact C-N 3.3Å; V274-T276 PolarHBondContact O-N 3.38Å
277	R	97	Very high	95.3	Very high	73 Å²	73	52.3 Å²	52.3	28%	0.275	27%	0.272	S	S	.	.	H	α-helix	trans	-69.6	-45.3	176.8	-173.8	57.6	171.8	158.8	-0.7	112.2	L237 F239 V266 D273 V274 I275 R279 K280 L281	L237-R277 HydrophobicContact CD2-CG 3.56Å; F239-R277 HydrophobicContact CE1-CB 3.77Å; F239-R277 HydrophobicContact CE1-CG 3.84Å; F239-R277 HydrophobicContact CZ-CB 4Å; F239-R277 HydrophobicContact CZ-CG 3.8Å; V266-R277 HydrophobicContact CG1-CB 4.46Å; V266-R277 HydrophobicContact CG1-CG 4.41Å; V266-R277 HydrophobicContact CG2-CG 4.29Å; D273-R277 PolarHBondContact O-N 2.96Å; V274-R277 PolarHBondContact O-N 3.35Å; I275-R277 VanDerWaalsContact C-N 3.28Å; I275-R277 PolarHBondContact O-N 3.49Å; R277-R279 PolarHBondContact O-N 2.87Å; R277-K280 PolarHBondContact O-N 3.23Å; R277-L281 HydrophobicContact CG-CD1 4.4Å; R277-L281 PolarHBondContact O-N 2.88Å
278	L	96.6	Very high	95.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.4	-40.2	179.8	-68.4	-176.6	0	0	0	112.3	I45 L121 F124 L125 F133 F217 F239 V274 I275 K280 L281 V282	I45-L278 HydrophobicContact CD1-CD1 4.12Å; L121-L278 HydrophobicContact CD1-CD1 4.12Å; F124-L278 HydrophobicContact CE1-CB 3.91Å; F124-L278 HydrophobicContact CE1-CD1 4.14Å; F124-L278 HydrophobicContact CZ-CB 4.35Å; L125-L278 HydrophobicContact CD2-CD1 4.07Å; F133-L278 HydrophobicContact CE1-CD1 4.3Å; F133-L278 HydrophobicContact CE1-CD2 4.05Å; F133-L278 HydrophobicContact CZ-CB 4.37Å; F133-L278 HydrophobicContact CZ-CD1 4.34Å; F133-L278 HydrophobicContact CZ-CD2 4.32Å; F217-L278 HydrophobicContact CD1-CD2 3.9Å; F217-L278 HydrophobicContact CD2-CD2 4.07Å; F217-L278 HydrophobicContact CE1-CD2 3.7Å; F217-L278 HydrophobicContact CE2-CD2 3.86Å; F217-L278 HydrophobicContact CG-CD2 4.08Å; F217-L278 HydrophobicContact CZ-CD2 3.69Å; F239-L278 HydrophobicContact CE2-CD2 4.45Å; F239-L278 HydrophobicContact CZ-CD2 4.35Å; V274-L278 HydrophobicContact CG1-CD1 4Å; V274-L278 HydrophobicContact CG1-CG 4.18Å; V274-L278 WeakPolarHBondContact O-CG 3.47Å; V274-L278 PolarHBondContact O-N 2.96Å; I275-L278 PolarHBondContact O-N 2.83Å; L278-K280 VanDerWaalsContact C-N 3.31Å; L278-K280 PolarHBondContact O-N 3.07Å; L278-L281 PolarHBondContact O-N 2.85Å; L278-V282 VanDerWaalsContact O-CG2 3.29Å; L278-V282 WeakPolarHBondContact O-CG2 3.44Å; L278-V282 PolarHBondContact O-N 3.49Å
279	R	95.2	Very high	94.9	Very high	135 Å²	135	56.7 Å²	56.7	51%	0.509	29%	0.292	S	S	.	.	H	α-helix	trans	-57.9	-41.3	177.8	-80.4	179.5	-179.7	155.1	2.6	112.8	F124 I275 R277 A283	F124-R279 HydrophobicContact CD2-CG 4.48Å; F124-R279 HydrophobicContact CE2-CG 3.56Å; F124-R279 HydrophobicContact CZ-CG 3.79Å; I275-R279 HydrophobicContact CG2-CG 4.13Å; I275-R279 VanDerWaalsContact CG2-CZ 3.44Å; I275-R279 WeakPolarHBondContact O-CB 3.1Å; I275-R279 WeakPolarHBondContact O-CG 3.29Å; I275-R279 PolarHBondContact O-N 2.79Å; R277-R279 PolarHBondContact O-N 2.87Å; R279-A283 PolarHBondContact O-N 3.35Å
280	K	93.5	Very high	94.6	Very high	129 Å²	129	55.2 Å²	55.2	56%	0.561	28%	0.28	S	S	*	.	H	α-helix	trans	-63.4	-46.8	177.4	-68	179.3	-179.5	-179	0	110.9	R277 L278 V282 A283 E284	R277-K280 PolarHBondContact O-N 3.23Å; L278-K280 VanDerWaalsContact C-N 3.31Å; L278-K280 PolarHBondContact O-N 3.07Å; K280-V282 VanDerWaalsContact C-N 3.33Å; K280-V282 PolarHBondContact O-N 3.12Å; K280-A283 PolarHBondContact O-N 3Å; K280-E284 PolarHBondContact O-N 3.33Å
281	L	91.8	Very high	94.4	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-69.3	-28	-178.1	-64.4	173.9	0	0	0	114	F217 L237 R277 L278 A283	F217-L281 HydrophobicContact CE1-CD1 3.48Å; F217-L281 VanDerWaalsContact CE1-CD1 3.48Å; F217-L281 HydrophobicContact CZ-CD1 3.75Å; L237-L281 HydrophobicContact CD1-CD1 3.93Å; L237-L281 HydrophobicContact CD2-CD1 3.73Å; R277-L281 HydrophobicContact CG-CD1 4.4Å; R277-L281 PolarHBondContact O-N 2.88Å; L278-L281 PolarHBondContact O-N 2.85Å; L281-A283 VanDerWaalsContact C-N 3.31Å
282	V	89.8	Confident	94.1	Very high	15 Å²	15	61.6 Å²	61.6	9%	0.091	31%	0.308	C	S	.	.	H	α-helix	trans	-73.3	-27.2	176.5	167.7	0	0	0	0	111.8	R42 F43 F133 L278 K280	R42-V282 PolarHBondContact NH2-O 3.09Å; F43-V282 HydrophobicContact CE2-CG2 4.04Å; F133-V282 HydrophobicContact CE2-CG2 3.77Å; F133-V282 HydrophobicContact CZ-CG2 3.59Å; L278-V282 VanDerWaalsContact O-CG2 3.29Å; L278-V282 WeakPolarHBondContact O-CG2 3.44Å; L278-V282 PolarHBondContact O-N 3.49Å; K280-V282 VanDerWaalsContact C-N 3.33Å; K280-V282 PolarHBondContact O-N 3.12Å
283	A	87.6	Confident	93.7	Very high	90 Å²	90	60.8 Å²	60.8	74%	0.744	31%	0.306	S	S	*	.	H	α-helix	trans	-84.9	-16.5	179.8	0	0	0	0	0	113.6	R279 K280 L281	R279-A283 PolarHBondContact O-N 3.35Å; K280-A283 PolarHBondContact O-N 3Å; L281-A283 VanDerWaalsContact C-N 3.31Å
284	E	80.8	Confident	93.3	Very high	152 Å²	152	60.7 Å²	60.7	71%	0.71	30%	0.304	S	S	*	.			trans	-74.5	0	168.1	-67.5	169.4	-162.5	0	0	111.3	R215 K280	R215-E284 IonicContact NH2-OE2 2.77Å; R215-E284 PolarHBondContact NH2-OE2 3.07Å; K280-E284 PolarHBondContact O-N 3.33Å

Retrieved 284 of 284 residues in 56.5 ms (Link to these results)

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