A0A087YD53_POEFO Loading...

GDP-fucose protein O-fucosyltransferase 1

AlphaFold DB , UniProt , Accession A0A087YD53, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 397 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	37.8	Very low	33.3	Very low	253 Å²	253	157.1 Å²	157.1	100%	1.246	86%	0.864	S	S	*	*				0	118.6	0	-87.9	175	-179.7	0	0	107.9
2	A	32.1	Very low	33.7	Very low	98 Å²	98	165.2 Å²	165.2	81%	0.81	87%	0.872	S	S	*	*			trans	-83.4	130.8	-171.5	0	0	0	0	0	111.3
3	V	30.8	Very low	34	Very low	142 Å²	142	158 Å²	158	86%	0.861	86%	0.862	S	S	*	*			trans	-139.5	122.7	145.3	-176.5	0	0	0	0	108
4	R	29.5	Very low	34.2	Very low	219 Å²	219	161.5 Å²	161.5	83%	0.826	87%	0.865	S	S	*	*			trans	-64.2	138.8	-178.7	-76.8	169.2	162.6	168.5	-6.2	111.8
5	F	30.7	Very low	34.5	Very low	215 Å²	215	162.9 Å²	162.9	94%	0.943	87%	0.871	S	S	*	*			trans	-75.3	123.3	152.3	-91.9	-94.4	0	0	0	108.8
6	Q	33.4	Very low	34.7	Very low	170 Å²	170	156.7 Å²	156.7	79%	0.794	86%	0.857	S	S	*	*			trans	-127.3	117.2	159.7	-95.8	-174.9	-27.9	0	0	108.5
7	A	37.3	Very low	34.8	Very low	112 Å²	112	159.5 Å²	159.5	93%	0.926	86%	0.86	S	S	*	*			trans	-68.7	133.3	165.7	0	0	0	0	0	109.1
8	G	29.4	Very low	35	Very low	76 Å²	76	159.8 Å²	159.8	78%	0.784	86%	0.86	S	S	*	*			trans	-133.5	118.5	177.6	0	0	0	0	0	110.3
9	D	33.8	Very low	35.1	Very low	143 Å²	143	161.7 Å²	161.7	77%	0.765	86%	0.86	S	S	*	*			trans	-55	138.6	-176	-138.4	-18.6	0	0	0	114.9	F11	D9-F11 PolarHBondContact O-N 3.3Å
10	P	34.5	Very low	35.1	Very low	112 Å²	112	161.7 Å²	161.7	73%	0.727	86%	0.859	S	S	*	*	S	Bend	trans	-95.3	55.8	178.4	39.1	-32.1	0	0	0	111.5
11	F	37.3	Very low	35.4	Very low	188 Å²	188	162.3 Å²	162.3	83%	0.825	86%	0.862	S	S	*	*			trans	-143.9	67.8	174	-89.6	-81.6	0	0	0	111.9	D9	D9-F11 PolarHBondContact O-N 3.3Å
12	R	37.3	Very low	35.8	Very low	254 Å²	254	157.4 Å²	157.4	96%	0.958	84%	0.84	S	S	*	*			trans	-151.5	85.3	166.9	-119.7	176.5	179.5	-166.7	-0.4	110.2
13	G	38.3	Very low	36.3	Very low	72 Å²	72	161.4 Å²	161.4	74%	0.742	84%	0.841	S	S	*	*	S	Bend	trans	174.7	26	178	0	0	0	0	0	117.8
14	K	37	Very low	36.6	Very low	207 Å²	207	159.3 Å²	159.3	90%	0.9	84%	0.839	S	S	*	*	S	Bend	trans	-150.9	48.4	169.3	-70.9	-165.1	179.4	177.3	0	112.9
15	L	37.9	Very low	37.2	Very low	183 Å²	183	155.2 Å²	155.2	96%	0.958	84%	0.843	S	S	*	*	S	Bend	trans	-129.1	35.3	174.5	-150.6	74	0	0	0	112.8
16	G	38.3	Very low	37.5	Very low	63 Å²	63	152.2 Å²	152.2	65%	0.649	84%	0.836	S	S	*	*	S	Bend	trans	-134.7	17.3	-177.9	0	0	0	0	0	114.7
17	F	36.3	Very low	38	Very low	205 Å²	205	149.7 Å²	149.7	90%	0.899	84%	0.837	S	S	*	*	S	Bend	trans	-137.1	23.3	-177.2	-105.8	-84	0	0	0	114.1
18	L	38.1	Very low	38.3	Very low	165 Å²	165	148.8 Å²	148.8	86%	0.864	82%	0.823	S	S	*	*	S	Bend	trans	-136.4	31.9	175.8	-145.7	82	0	0	0	113
19	F	36.3	Very low	39.1	Very low	196 Å²	196	149 Å²	149	86%	0.86	83%	0.826	S	S	*	*	S	Bend	trans	-135.3	21.6	174.8	-107.6	-82.7	0	0	0	113.2
20	L	36.2	Very low	40.3	Very low	160 Å²	160	148.8 Å²	148.8	84%	0.838	82%	0.82	S	S	*	*	S	Bend	trans	-122.2	19.8	-178.1	-101.9	151.6	0	0	0	113.8
21	L	42	Very low	42.5	Very low	176 Å²	176	151.5 Å²	151.5	92%	0.921	82%	0.823	S	S	*	*	S	Bend	trans	-125.1	26.5	174.1	-82.4	167.2	0	0	0	113.3
22	L	45.6	Very low	45	Very low	149 Å²	149	145.3 Å²	145.3	78%	0.78	80%	0.798	S	S	*	*	S	Bend	trans	-133.9	22.4	-175.9	-112.6	149.4	0	0	0	115
23	H	41.6	Very low	47.8	Very low	182 Å²	182	140 Å²	140	84%	0.843	78%	0.782	S	S	*	*			trans	-136.2	28.1	177.5	-88.9	79	0	0	0	115.1
24	A	38	Very low	50.7	Low	99 Å²	99	138.4 Å²	138.4	82%	0.818	75%	0.754	S	S	*	*			trans	-111.9	53.2	168.1	0	0	0	0	0	111.5
25	C	41.5	Very low	53.6	Low	133 Å²	133	129.6 Å²	129.6	90%	0.899	72%	0.716	S	S	*	*			trans	-109.6	59	152.5	-107.6	0	0	0	0	107.5	S27	C25-S27 PolarHBondContact O-N 3.3Å
26	L	37.3	Very low	56.5	Low	152 Å²	152	128 Å²	128	80%	0.796	70%	0.704	S	S	*	*			trans	-67.9	106.7	152.3	-85.5	145.2	0	0	0	104.8	S28	L26-S28 PolarHBondContact O-N 3.01Å
27	S	43.4	Very low	59.3	Low	117 Å²	117	128.3 Å²	128.3	82%	0.818	69%	0.691	S	S	*	*			trans	-61	78.5	156	54.6	0	0	0	0	107.2	C25 G29	C25-S27 PolarHBondContact O-N 3.3Å; S27-G29 PolarHBondContact O-N 3.22Å
28	S	43.9	Very low	62.3	Low	92 Å²	92	118.6 Å²	118.6	64%	0.643	65%	0.649	S	S	*	*			trans	-61	108.5	156.6	51.1	0	0	0	0	104.8	L26 E30	L26-S28 PolarHBondContact O-N 3.01Å; S28-E30 PolarHBondContact O-N 3.03Å
29	G	47.4	Very low	65.2	Low	81 Å²	81	110.9 Å²	110.9	84%	0.835	61%	0.608	S	S	*	*			trans	-63.5	72.9	164	0	0	0	0	0	108	S27 E31	S27-G29 PolarHBondContact O-N 3.22Å; G29-E31 PolarHBondContact O-N 3.19Å
30	E	58.6	Low	68.2	Low	138 Å²	138	101.6 Å²	101.6	65%	0.645	57%	0.567	S	S	*	*			trans	-65.7	121.4	170.7	-150	-175.1	164.2	0	0	105.7	S28 L32 K33	S28-E30 PolarHBondContact O-N 3.03Å; E30-L32 PolarHBondContact O-N 2.89Å; E30-K33 IonicContact OE1-NZ 2.68Å; E30-K33 PolarHBondContact OE1-NZ 3.49Å
31	E	79	Confident	71.2	Confident	169 Å²	169	94 Å²	94	79%	0.79	53%	0.527	S	S	*	.			trans	-53.2	130.4	177.7	-170.1	178.1	-179.8	0	0	108.9	G29 K33	G29-E31 PolarHBondContact O-N 3.19Å; E31-K33 PolarHBondContact O-N 3.15Å
32	L	91.6	Very high	73.9	Confident	59 Å²	59	85.6 Å²	85.6	31%	0.309	48%	0.484	S	S	.	.			trans	-63.7	113.4	-178.1	-178.5	68.2	0	0	0	109	E30 V108 D112 K116 L117	E30-L32 PolarHBondContact O-N 2.89Å; L32-V108 HydrophobicContact CD1-CB 4.48Å; L32-V108 HydrophobicContact CD1-CG2 3.82Å; L32-V108 HydrophobicContact CD2-CG2 3.67Å; L32-V108 HydrophobicContact CG-CG2 4.42Å; L32-D112 HydrophobicContact CD2-CB 4.36Å; L32-K116 HydrophobicContact CB-CD 4.4Å; L32-K116 HydrophobicContact CD2-CB 4.1Å; L32-K116 HydrophobicContact CD2-CD 4.37Å; L32-L117 HydrophobicContact CD2-CD1 3.61Å; L32-L117 HydrophobicContact CD2-CD2 4.27Å; L32-L117 HydrophobicContact CD2-CG 3.64Å; L32-L117 HydrophobicContact CG-CD1 3.9Å; L32-L117 HydrophobicContact CG-CD2 4.15Å; L32-L117 HydrophobicContact CG-CG 4.03Å
33	K	95.6	Very high	76.4	Confident	141 Å²	141	78.5 Å²	78.5	61%	0.613	45%	0.446	S	S	*	.			trans	-89.8	149.2	-179.3	-66.5	170.9	-173.9	155.2	0	111.1	E30 E31 Y39	E30-K33 IonicContact OE1-NZ 2.68Å; E30-K33 PolarHBondContact OE1-NZ 3.49Å; E31-K33 PolarHBondContact O-N 3.15Å; K33-Y39 PolarHBondContact O-OH 2.69Å
34	W	98.1	Very high	79.1	Confident	40 Å²	40	69.9 Å²	69.9	15%	0.152	41%	0.406	C	S	.	.			trans	-67.3	134.5	170.9	179.1	-104.5	0	0	0	110.8	Y39 F113 L117 Y121 P193 V194	W34-Y39 WeakPolarHBondContact CA-OH 3.22Å; W34-Y39 AromaticContact CD2-CE2 3.86Å; W34-Y39 HydrophobicContact CD2-CE2 3.86Å; W34-Y39 HydrophobicContact CE3-CD2 4.25Å; W34-Y39 AromaticContact CE3-CE2 3.4Å; W34-Y39 HydrophobicContact CE3-CE2 3.4Å; W34-Y39 VanDerWaalsContact CE3-CE2 3.4Å; W34-Y39 AromaticContact CH2-CD2 3.8Å; W34-Y39 HydrophobicContact CH2-CD2 3.8Å; W34-Y39 AromaticContact CH2-CE2 3.75Å; W34-Y39 HydrophobicContact CH2-CE2 3.75Å; W34-Y39 HydrophobicContact CZ2-CD2 4.37Å; W34-Y39 HydrophobicContact CZ2-CE2 4.16Å; W34-Y39 AromaticContact CZ3-CD2 3.72Å; W34-Y39 HydrophobicContact CZ3-CD2 3.72Å; W34-Y39 AromaticContact CZ3-CE2 3.34Å; W34-Y39 HydrophobicContact CZ3-CE2 3.34Å; W34-F113 HydrophobicContact CZ3-CE2 4.17Å; W34-L117 HydrophobicContact CE3-CB 4.48Å; W34-Y121 HydrophobicContact CB-CD2 4.13Å; W34-Y121 HydrophobicContact CB-CE1 4.23Å; W34-Y121 HydrophobicContact CB-CE2 3.79Å; W34-Y121 HydrophobicContact CB-CG 4.49Å; W34-Y121 AromaticContact CD2-CD1 4Å; W34-Y121 HydrophobicContact CD2-CD1 4Å; W34-Y121 HydrophobicContact CD2-CD2 4Å; W34-Y121 AromaticContact CD2-CG 3.71Å; W34-Y121 HydrophobicContact CD2-CG 3.71Å; W34-Y121 HydrophobicContact CE3-CD1 4.29Å; W34-Y121 AromaticContact CE3-CD2 3.62Å; W34-Y121 HydrophobicContact CE3-CD2 3.62Å; W34-Y121 HydrophobicContact CE3-CE2 4.45Å; W34-Y121 AromaticContact CE3-CG 3.53Å; W34-Y121 HydrophobicContact CE3-CG 3.53Å; W34-Y121 HydrophobicContact CG-CD1 4.1Å; W34-Y121 HydrophobicContact CG-CD2 4.24Å; W34-Y121 HydrophobicContact CG-CE1 4.17Å; W34-Y121 HydrophobicContact CG-CE2 4.3Å; W34-Y121 HydrophobicContact CG-CG 4.14Å; W34-Y121 HydrophobicContact CZ3-CD2 4.36Å; W34-Y121 HydrophobicContact CZ3-CG 4.01Å; W34-P193 HydrophobicContact CH2-CB 4.04Å; W34-P193 HydrophobicContact CZ2-CB 3.62Å; W34-V194 HydrophobicContact CH2-CG2 3.92Å
35	D	98.4	Very high	82	Confident	21 Å²	21	65.7 Å²	65.7	11%	0.112	37%	0.371	C	S	.	.			trans	-95.7	112.8	174.9	-175	-0	0	0	0	109.6	N37 G38 Y39 T69 R106	D35-N37 PolarHBondContact O-N 2.7Å; D35-N37 WeakPolarHBondContact OD1-CB 3.13Å; D35-N37 PolarHBondContact OD1-N 2.78Å; D35-N37 PolarHBondContact OD1-ND2 2.81Å; D35-G38 WeakPolarHBondContact O-CA 3.46Å; D35-G38 PolarHBondContact O-N 3.48Å; D35-Y39 HydrophobicContact CB-CE2 4.06Å; D35-Y39 PolarHBondContact N-OH 2.66Å; D35-T69 PolarHBondContact OD2-OG1 2.62Å; D35-R106 IonicContact OD2-CZ 3.34Å; D35-R106 IonicContact OD2-NE 3.87Å; D35-R106 PolarHBondContact OD2-NE 3.05Å; D35-R106 IonicContact OD2-NH2 3.16Å; D35-R106 PolarHBondContact OD2-NH2 3.04Å
36	E	98.3	Very high	84.6	Confident	149 Å²	149	63.3 Å²	63.3	70%	0.696	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-17.6	177.2	-62.4	-59.8	158.1	0	0	113.1	G38 A189	E36-G38 PolarHBondContact O-N 2.98Å; E36-A189 WeakPolarHBondContact O-CB 3.37Å
37	N	98.5	Very high	87.5	Confident	71 Å²	71	57.4 Å²	57.4	38%	0.38	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-6	171.1	-54.1	-76.2	0	0	0	112.6	D35 N67 R68 A189	D35-N37 PolarHBondContact O-N 2.7Å; D35-N37 WeakPolarHBondContact OD1-CB 3.13Å; D35-N37 PolarHBondContact OD1-N 2.78Å; D35-N37 PolarHBondContact OD1-ND2 2.81Å; N37-N67 WeakPolarHBondContact CB-O 3.28Å; N37-N67 PolarHBondContact OD1-ND2 3.04Å; N37-R68 WeakPolarHBondContact O-CG 3.48Å; N37-A189 VanDerWaalsContact C-CB 3.45Å; N37-A189 WeakPolarHBondContact O-CB 3.43Å
38	G	98.7	Very high	90	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.01	31%	0.307	C	S	.	.			trans	81.7	-174.8	174.2	0	0	0	0	0	114.9	D35 E36 R68 T69 P193	D35-G38 WeakPolarHBondContact O-CA 3.46Å; D35-G38 PolarHBondContact O-N 3.48Å; E36-G38 PolarHBondContact O-N 2.98Å; G38-R68 CarbonylContact O-C 3.55Å; G38-R68 VanDerWaalsContact O-CA 3.27Å; G38-R68 WeakPolarHBondContact O-CA 3.06Å; G38-R68 WeakPolarHBondContact O-CB 3.46Å; G38-T69 PolarHBondContact O-N 3.4Å; G38-P193 CarbonylContact C-O 3.56Å; G38-P193 WeakPolarHBondContact CA-O 3.34Å
39	Y	98.9	Very high	92.6	Very high	3 Å²	3	54.4 Å²	54.4	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.3	-168	-63.9	-97.8	0	0	0	112.6	K33 W34 D35 T69 V108 F113 L117 P193 L195	K33-Y39 PolarHBondContact O-OH 2.69Å; W34-Y39 WeakPolarHBondContact CA-OH 3.22Å; W34-Y39 AromaticContact CD2-CE2 3.86Å; W34-Y39 HydrophobicContact CD2-CE2 3.86Å; W34-Y39 HydrophobicContact CE3-CD2 4.25Å; W34-Y39 AromaticContact CE3-CE2 3.4Å; W34-Y39 HydrophobicContact CE3-CE2 3.4Å; W34-Y39 VanDerWaalsContact CE3-CE2 3.4Å; W34-Y39 AromaticContact CH2-CD2 3.8Å; W34-Y39 HydrophobicContact CH2-CD2 3.8Å; W34-Y39 AromaticContact CH2-CE2 3.75Å; W34-Y39 HydrophobicContact CH2-CE2 3.75Å; W34-Y39 HydrophobicContact CZ2-CD2 4.37Å; W34-Y39 HydrophobicContact CZ2-CE2 4.16Å; W34-Y39 AromaticContact CZ3-CD2 3.72Å; W34-Y39 HydrophobicContact CZ3-CD2 3.72Å; W34-Y39 AromaticContact CZ3-CE2 3.34Å; W34-Y39 HydrophobicContact CZ3-CE2 3.34Å; D35-Y39 HydrophobicContact CB-CE2 4.06Å; D35-Y39 PolarHBondContact N-OH 2.66Å; Y39-T69 CarbonylContact C-O 3.56Å; Y39-T69 VanDerWaalsContact CA-O 3.24Å; Y39-T69 WeakPolarHBondContact CA-O 3.47Å; Y39-T69 HydrophobicContact CD1-CG2 3.8Å; Y39-T69 HydrophobicContact CE1-CG2 3.66Å; Y39-V108 HydrophobicContact CD1-CG1 4.47Å; Y39-V108 HydrophobicContact CE1-CG1 4.29Å; Y39-F113 AromaticContact CD1-CD2 3.62Å; Y39-F113 HydrophobicContact CD1-CD2 3.62Å; Y39-F113 AromaticContact CD1-CE2 3.59Å; Y39-F113 HydrophobicContact CD1-CE2 3.59Å; Y39-F113 AromaticContact CD2-CE2 3.8Å; Y39-F113 HydrophobicContact CD2-CE2 3.8Å; Y39-F113 AromaticContact CE1-CD2 3.77Å; Y39-F113 HydrophobicContact CE1-CD2 3.77Å; Y39-F113 AromaticContact CE1-CE2 3.91Å; Y39-F113 HydrophobicContact CE1-CE2 3.91Å; Y39-F113 HydrophobicContact CE2-CE2 4.13Å; Y39-F113 HydrophobicContact CG-CD2 4.08Å; Y39-F113 AromaticContact CG-CE2 3.54Å; Y39-F113 HydrophobicContact CG-CE2 3.54Å; Y39-F113 HydrophobicContact CG-CZ 4.45Å; Y39-L117 HydrophobicContact CE1-CD1 3.91Å; Y39-L117 VanDerWaalsContact OH-CD1 3.26Å; Y39-L117 WeakPolarHBondContact OH-CD1 3.33Å; Y39-P193 PolarHBondContact N-O 2.86Å; Y39-L195 PolarHBondContact O-N 3.42Å
40	V	98.9	Very high	95.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.4	166.2	174.5	0	0	0	0	108.4	F62 A63 R68 T69 L70 A71 L197 P201	V40-F62 HydrophobicContact CG1-CD1 4.37Å; V40-F62 HydrophobicContact CG2-CD1 4.45Å; V40-F62 HydrophobicContact CG2-CE1 4.37Å; V40-A63 HydrophobicContact CB-CB 4.48Å; V40-R68 HydrophobicContact CG2-CB 3.79Å; V40-R68 HydrophobicContact CG2-CG 4.45Å; V40-T69 PolarHBondContact N-O 3.41Å; V40-L70 HydrophobicContact CB-CD1 4.27Å; V40-L70 HydrophobicContact CG1-CD1 4.16Å; V40-A71 PolarHBondContact O-N 2.79Å; V40-L197 HydrophobicContact CG1-CD1 4.49Å; V40-P201 HydrophobicContact CG1-CG 4.29Å
41	L	98.9	Very high	97	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	142.5	174.6	-81.1	61.8	0	0	0	108.2	A71 L110 F113 W122 W157 V194 L195 A196 L197	L41-A71 HydrophobicContact CD1-CB 3.55Å; L41-A71 HydrophobicContact CG-CB 3.73Å; L41-L110 HydrophobicContact CD2-CD1 3.76Å; L41-L110 HydrophobicContact CG-CD1 3.82Å; L41-F113 HydrophobicContact CD1-CD1 4.5Å; L41-F113 HydrophobicContact CD1-CE1 4.24Å; L41-F113 HydrophobicContact CD1-CE2 4.49Å; L41-F113 HydrophobicContact CD1-CZ 4.24Å; L41-F113 HydrophobicContact CD2-CD1 4.05Å; L41-F113 HydrophobicContact CD2-CE1 3.73Å; L41-F113 HydrophobicContact CD2-CZ 4.42Å; L41-W122 HydrophobicContact CD2-CH2 4.22Å; L41-W122 HydrophobicContact CD2-CZ3 4.08Å; L41-W157 HydrophobicContact CB-CH2 4.38Å; L41-V194 HydrophobicContact CD1-CG1 3.79Å; L41-V194 HydrophobicContact CD2-CG1 4Å; L41-V194 HydrophobicContact CG-CG1 4.4Å; L41-L195 PolarHBondContact N-O 3.22Å; L41-L195 VanDerWaalsContact O-O 3.12Å; L41-A196 HydrophobicContact CB-CB 4.17Å; L41-A196 WeakPolarHBondContact O-CA 3.43Å; L41-L197 PolarHBondContact O-N 3.46Å
42	Y	98.9	Very high	97.9	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	154.5	175.5	76	-80.8	0	0	0	111.5	P44 L70 P73 L197 A200	Y42-P44 HydrophobicContact CE2-CB 4.12Å; Y42-L70 HydrophobicContact CD1-CD1 4.1Å; Y42-L70 HydrophobicContact CE1-CD1 3.99Å; Y42-P73 HydrophobicContact CD1-CG 4.27Å; Y42-P73 HydrophobicContact CD2-CG 4.37Å; Y42-P73 HydrophobicContact CE1-CG 3.7Å; Y42-P73 HydrophobicContact CE2-CG 3.82Å; Y42-P73 VanDerWaalsContact CZ-CG 3.44Å; Y42-P73 WeakPolarHBondContact O-CB 3.41Å; Y42-L197 WeakPolarHBondContact CA-O 3.44Å; Y42-A200 HydrophobicContact CD2-CB 3.61Å; Y42-A200 HydrophobicContact CE2-CB 3.71Å
43	C	98.8	Very high	98.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.168	C	C	.	.			trans	-87.1	133.2	165.1	177.3	0	0	0	0	110.9	C45 F156 W157 L197 G199 A200	C43-C45 HydrophobicContact CB-CB 3.88Å; C43-C45 WeakPolarHBondContact CB-SG 3.3Å; C43-C45 PolarHBondContact O-N 3.09Å; C43-C45 WeakPolarHBondContact SG-CA 3.36Å; C43-C45 WeakPolarHBondContact SG-CB 3.27Å; C43-C45 PolarHBondContact SG-N 3.24Å; C43-C45 VanDerWaalsContact SG-N 3.39Å; C43-C45 CovalentContact SG-SG 2.02Å; C43-C45 PolarHBondContact SG-SG 2.93Å; C43-F156 HydrophobicContact CB-CD1 3.48Å; C43-F156 VanDerWaalsContact CB-CD1 3.48Å; C43-F156 HydrophobicContact CB-CE1 3.59Å; C43-F156 HydrophobicContact CB-CG 4.02Å; C43-F156 HydrophobicContact CB-CZ 4.2Å; C43-F156 VanDerWaalsContact SG-CD1 3.56Å; C43-F156 WeakPolarHBondContact SG-CG 3.39Å; C43-W157 HydrophobicContact CB-CZ2 4.38Å; C43-L197 PolarHBondContact N-O 3.06Å; C43-G199 CarbonylContact O-C 3.51Å; C43-G199 WeakPolarHBondContact O-CA 3.12Å; C43-A200 PolarHBondContact O-N 2.85Å
44	P	98.6	Very high	98.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.139	C	C	.	.			trans	-75.9	50.7	168.9	31	-28.5	0	0	0	111.3	Y42 M46 Q52 P73 P74 I76 F156	Y42-P44 HydrophobicContact CE2-CB 4.12Å; P44-M46 VanDerWaalsContact C-N 3.26Å; P44-M46 PolarHBondContact O-N 2.88Å; P44-M46 VanDerWaalsContact O-N 3.07Å; P44-Q52 HydrophobicContact CB-CB 4.14Å; P44-Q52 HydrophobicContact CB-CG 3.94Å; P44-Q52 WeakPolarHBondContact O-CG 3.29Å; P44-P73 HydrophobicContact CB-CG 4.45Å; P44-P73 HydrophobicContact CG-CB 4.15Å; P44-P73 HydrophobicContact CG-CG 3.94Å; P44-P74 VanDerWaalsContact CG-O 3.3Å; P44-P74 WeakPolarHBondContact CG-O 3.33Å; P44-I76 HydrophobicContact CG-CD1 3.92Å; P44-I76 HydrophobicContact CG-CG1 4.21Å; P44-F156 HydrophobicContact CG-CE2 4.34Å
45	C	97.8	Very high	98.5	Very high	11 Å²	11	26.9 Å²	26.9	7%	0.074	14%	0.135	C	C	.	.			trans	-77.7	10.5	-162.9	-89.6	0	0	0	0	115.9	C43 P152 F153	C43-C45 HydrophobicContact CB-CB 3.88Å; C43-C45 WeakPolarHBondContact CB-SG 3.3Å; C43-C45 PolarHBondContact O-N 3.09Å; C43-C45 WeakPolarHBondContact SG-CA 3.36Å; C43-C45 WeakPolarHBondContact SG-CB 3.27Å; C43-C45 PolarHBondContact SG-N 3.24Å; C43-C45 VanDerWaalsContact SG-N 3.39Å; C43-C45 CovalentContact SG-SG 2.02Å; C43-C45 PolarHBondContact SG-SG 2.93Å; C45-P152 HydrophobicContact CB-CG 3.89Å; C45-F153 HydrophobicContact CB-CD1 3.83Å; C45-F153 HydrophobicContact CB-CE1 3.49Å; C45-F153 VanDerWaalsContact CB-CE1 3.49Å; C45-F153 HydrophobicContact CB-CG 4.47Å; C45-F153 HydrophobicContact CB-CZ 3.87Å; C45-F153 WeakPolarHBondContact SG-CD1 3.24Å
46	M	97.8	Very high	98.5	Very high	84 Å²	84	26 Å²	26	41%	0.414	13%	0.13	S	C	.	.	S	Bend	trans	-126.5	119.9	-178.5	-169.2	-176.1	87.8	0	0	111.7	P44 N51 H55 F204	P44-M46 VanDerWaalsContact C-N 3.26Å; P44-M46 PolarHBondContact O-N 2.88Å; P44-M46 VanDerWaalsContact O-N 3.07Å; M46-N51 VanDerWaalsContact O-CB 3.26Å; M46-N51 WeakPolarHBondContact O-CB 3.4Å; M46-H55 WeakPolarHBondContact CE-CE1 3.49Å; M46-H55 VanDerWaalsContact CE-NE2 3.34Å; M46-H55 WeakPolarHBondContact CE-NE2 3.19Å; M46-F204 HydrophobicContact CE-CB 3.54Å; M46-F204 HydrophobicContact CE-CD1 4.04Å; M46-F204 HydrophobicContact CE-CG 3.76Å
47	G	96.5	Very high	98.5	Very high	28 Å²	28	18.9 Å²	18.9	29%	0.289	10%	0.097	S	C	.	.	S	Bend	trans	70.4	-173	173.9	0	0	0	0	0	114.1	Q52 Y78	G47-Q52 PolarHBondContact O-NE2 3.16Å; G47-Y78 WeakPolarHBondContact O-CE2 3.49Å
48	R	97.5	Very high	98.5	Very high	125 Å²	125	15.9 Å²	15.9	47%	0.472	8%	0.082	S	C	.	.	S	Bend	trans	-88.7	-172.1	179.2	-71.1	-178.1	-70	-165.9	-16.5	110.9	G50 N51 Q52 Y78 D249	R48-G50 VanDerWaalsContact C-N 3.31Å; R48-G50 PolarHBondContact O-N 3.1Å; R48-G50 VanDerWaalsContact O-N 3.09Å; R48-N51 PolarHBondContact N-OD1 2.85Å; R48-N51 WeakPolarHBondContact O-CB 3.38Å; R48-N51 PolarHBondContact O-N 2.96Å; R48-Q52 WeakPolarHBondContact O-CG 3.36Å; R48-Q52 PolarHBondContact O-N 3.41Å; R48-Y78 HydrophobicContact CG-CD2 4.06Å; R48-D249 IonicContact CZ-OD2 3.14Å; R48-D249 IonicContact NH1-OD2 2.69Å; R48-D249 IonicContact NH2-OD2 3.38Å; R48-D249 PolarHBondContact NH2-OD2 3.41Å
49	F	98.6	Very high	98.5	Very high	20 Å²	20	15.8 Å²	15.8	9%	0.088	8%	0.082	C	C	.	.	H	α-helix	trans	-41.8	-49.6	-176	179.8	-94.9	0	0	0	114.9	N51 Q52 A53 W75 F96 Q343 L346 F366	F49-N51 PolarHBondContact O-N 3.42Å; F49-Q52 PolarHBondContact O-N 2.92Å; F49-A53 HydrophobicContact CE1-CB 4.24Å; F49-A53 HydrophobicContact CZ-CB 4.3Å; F49-A53 WeakPolarHBondContact O-CB 3.32Å; F49-A53 PolarHBondContact O-N 3.04Å; F49-W75 HydrophobicContact CD2-CD2 4.2Å; F49-W75 HydrophobicContact CD2-CE3 4.19Å; F49-W75 HydrophobicContact CE2-CD2 4.04Å; F49-W75 HydrophobicContact CE2-CE3 4.22Å; F49-W75 HydrophobicContact CE2-CH2 4.34Å; F49-W75 HydrophobicContact CE2-CZ2 4.15Å; F49-W75 HydrophobicContact CE2-CZ3 4.37Å; F49-F96 AromaticContact CE2-CE2 3.99Å; F49-F96 HydrophobicContact CE2-CE2 3.99Å; F49-F96 HydrophobicContact CE2-CZ 4.31Å; F49-F96 AromaticContact CZ-CE2 3.91Å; F49-F96 HydrophobicContact CZ-CE2 3.91Å; F49-F96 AromaticContact CZ-CZ 3.8Å; F49-F96 HydrophobicContact CZ-CZ 3.8Å; F49-Q343 HydrophobicContact CE2-CG 4.39Å; F49-L346 HydrophobicContact CD1-CD1 3.54Å; F49-L346 HydrophobicContact CE1-CD1 3.17Å; F49-L346 HydrophobicContact CZ-CD1 4.02Å; F49-F366 AromaticContact CE1-CD2 3.72Å; F49-F366 HydrophobicContact CE1-CD2 3.72Å; F49-F366 AromaticContact CE1-CE2 3.9Å; F49-F366 HydrophobicContact CE1-CE2 3.9Å; F49-F366 HydrophobicContact CE1-CG 4.13Å; F49-F366 HydrophobicContact CE1-CZ 4.49Å; F49-F366 HydrophobicContact CZ-CD2 4.07Å; F49-F366 AromaticContact CZ-CE2 3.79Å; F49-F366 HydrophobicContact CZ-CE2 3.79Å; F49-F366 HydrophobicContact CZ-CZ 4.33Å
50	G	98.5	Very high	98.5	Very high	4 Å²	4	15.7 Å²	15.7	4%	0.041	8%	0.081	C	C	.	.	H	α-helix	trans	-60.1	-40.9	-179.4	0	0	0	0	0	113.7	R48 D54 S362	R48-G50 VanDerWaalsContact C-N 3.31Å; R48-G50 PolarHBondContact O-N 3.1Å; R48-G50 VanDerWaalsContact O-N 3.09Å; G50-D54 PolarHBondContact O-N 3.47Å; G50-S362 VanDerWaalsContact C-OG 3.28Å; G50-S362 WeakPolarHBondContact CA-OG 3.22Å
51	N	98.8	Very high	98.5	Very high	30 Å²	30	16 Å²	16	16%	0.16	8%	0.084	C	C	.	.	H	α-helix	trans	-67.2	-44.4	174.9	-59.2	101.6	0	0	0	111.1	M46 R48 F49 A53 D54 H55 F204 S362	M46-N51 VanDerWaalsContact O-CB 3.26Å; M46-N51 WeakPolarHBondContact O-CB 3.4Å; R48-N51 PolarHBondContact N-OD1 2.85Å; R48-N51 WeakPolarHBondContact O-CB 3.38Å; R48-N51 PolarHBondContact O-N 2.96Å; F49-N51 PolarHBondContact O-N 3.42Å; N51-A53 VanDerWaalsContact C-N 3.28Å; N51-A53 PolarHBondContact O-N 2.64Å; N51-D54 PolarHBondContact O-N 2.91Å; N51-H55 WeakPolarHBondContact O-CB 3.47Å; N51-H55 PolarHBondContact O-N 2.86Å; N51-F204 HydrophobicContact CB-CD2 4.47Å; N51-F204 HydrophobicContact CB-CE2 4.37Å; N51-F204 WeakPolarHBondContact ND2-CE1 3.41Å; N51-F204 WeakPolarHBondContact ND2-CE2 3.35Å; N51-F204 WeakPolarHBondContact ND2-CZ 3.32Å; N51-S362 PolarHBondContact N-OG 3.32Å
52	Q	98.9	Very high	98.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.6	-37.5	179.5	-61.7	175.4	29.7	0	0	111.2	P44 G47 R48 F49 H55 F56 W75 I76	P44-Q52 HydrophobicContact CB-CB 4.14Å; P44-Q52 HydrophobicContact CB-CG 3.94Å; P44-Q52 WeakPolarHBondContact O-CG 3.29Å; G47-Q52 PolarHBondContact O-NE2 3.16Å; R48-Q52 WeakPolarHBondContact O-CG 3.36Å; R48-Q52 PolarHBondContact O-N 3.41Å; F49-Q52 PolarHBondContact O-N 2.92Å; Q52-H55 PolarHBondContact O-N 2.63Å; Q52-F56 VanDerWaalsContact O-CB 3.31Å; Q52-F56 WeakPolarHBondContact O-CB 3.33Å; Q52-F56 PolarHBondContact O-N 3.32Å; Q52-W75 HydrophobicContact CB-CE3 3.8Å; Q52-W75 HydrophobicContact CB-CZ3 3.76Å; Q52-I76 PolarHBondContact NE2-O 2.86Å
53	A	98.8	Very high	98.5	Very high	2 Å²	2	16.2 Å²	16.2	2%	0.017	9%	0.085	C	C	.	.	H	α-helix	trans	-69.1	-41.7	177.9	0	0	0	0	0	112.4	F49 N51 F56 L57 W75 F366	F49-A53 HydrophobicContact CE1-CB 4.24Å; F49-A53 HydrophobicContact CZ-CB 4.3Å; F49-A53 WeakPolarHBondContact O-CB 3.32Å; F49-A53 PolarHBondContact O-N 3.04Å; N51-A53 VanDerWaalsContact C-N 3.28Å; N51-A53 PolarHBondContact O-N 2.64Å; A53-F56 WeakPolarHBondContact O-CB 3.44Å; A53-F56 PolarHBondContact O-N 2.91Å; A53-L57 WeakPolarHBondContact O-CG 3.17Å; A53-L57 PolarHBondContact O-N 2.74Å; A53-W75 HydrophobicContact CB-CH2 4.41Å; A53-W75 HydrophobicContact CB-CZ3 4.48Å; A53-F366 HydrophobicContact CB-CD2 3.8Å; A53-F366 HydrophobicContact CB-CE2 4.26Å
54	D	98.8	Very high	98.5	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-59.8	-47.1	172.2	-88.2	36.4	0	0	0	111.3	G50 N51 F56 L57 G58 F204 P205 V206 R369	G50-D54 PolarHBondContact O-N 3.47Å; N51-D54 PolarHBondContact O-N 2.91Å; D54-F56 VanDerWaalsContact C-N 3.33Å; D54-F56 PolarHBondContact O-N 2.82Å; D54-L57 PolarHBondContact O-N 2.94Å; D54-G58 PolarHBondContact O-N 2.72Å; D54-F204 HydrophobicContact CB-CD2 3.93Å; D54-F204 HydrophobicContact CB-CE2 4.32Å; D54-P205 WeakPolarHBondContact OD2-CA 3.42Å; D54-V206 HydrophobicContact CB-CB 4.06Å; D54-V206 PolarHBondContact OD2-N 2.98Å; D54-R369 IonicContact OD1-CZ 3.18Å; D54-R369 IonicContact OD1-NH1 2.81Å; D54-R369 PolarHBondContact OD1-NH1 3.35Å; D54-R369 IonicContact OD1-NH2 2.69Å; D54-R369 PolarHBondContact OD1-NH2 2.91Å; D54-R369 IonicContact OD2-NH1 3.83Å
55	H	98.9	Very high	98.5	Very high	13 Å²	13	21.8 Å²	21.8	6%	0.06	11%	0.11	C	C	.	.	H	α-helix	trans	-59.7	-42.2	175.1	-81.2	177.8	0	0	0	112.7	M46 N51 Q52 L57 G58 S59 A200 A202	M46-H55 WeakPolarHBondContact CE-CE1 3.49Å; M46-H55 VanDerWaalsContact CE-NE2 3.34Å; M46-H55 WeakPolarHBondContact CE-NE2 3.19Å; N51-H55 WeakPolarHBondContact O-CB 3.47Å; N51-H55 PolarHBondContact O-N 2.86Å; Q52-H55 PolarHBondContact O-N 2.63Å; H55-L57 VanDerWaalsContact C-N 3.34Å; H55-L57 PolarHBondContact O-N 3.43Å; H55-G58 PolarHBondContact O-N 2.86Å; H55-S59 WeakPolarHBondContact O-CB 3.49Å; H55-S59 PolarHBondContact O-N 2.82Å; H55-S59 PolarHBondContact O-OG 3.17Å; H55-S59 VanDerWaalsContact O-OG 3.05Å; H55-A200 HydrophobicContact CB-CB 3.53Å; H55-A202 HydrophobicContact CB-CB 4.42Å; H55-A202 VanDerWaalsContact O-CB 3.27Å; H55-A202 WeakPolarHBondContact O-CB 3.34Å
56	F	98.9	Very high	98.6	Very high	3 Å²	3	22 Å²	22	1%	0.013	11%	0.11	C	C	.	.	H	α-helix	trans	-58.3	-44	177.5	167.2	-101.5	0	0	0	112	Q52 A53 D54 G58 S59 L60 L70 V72 W75 Y92 L101 V217	Q52-F56 VanDerWaalsContact O-CB 3.31Å; Q52-F56 WeakPolarHBondContact O-CB 3.33Å; Q52-F56 PolarHBondContact O-N 3.32Å; A53-F56 WeakPolarHBondContact O-CB 3.44Å; A53-F56 PolarHBondContact O-N 2.91Å; D54-F56 VanDerWaalsContact C-N 3.33Å; D54-F56 PolarHBondContact O-N 2.82Å; F56-G58 VanDerWaalsContact C-N 3.33Å; F56-G58 PolarHBondContact O-N 3.41Å; F56-S59 PolarHBondContact O-N 3.48Å; F56-L60 HydrophobicContact CZ-CD2 4.36Å; F56-L60 WeakPolarHBondContact O-CB 3.42Å; F56-L60 PolarHBondContact O-N 3.19Å; F56-L70 HydrophobicContact CE2-CD2 4.15Å; F56-V72 HydrophobicContact CD2-CG1 4.11Å; F56-V72 HydrophobicContact CE2-CB 4.49Å; F56-V72 HydrophobicContact CE2-CG1 3.65Å; F56-V72 HydrophobicContact CE2-CG2 4.05Å; F56-W75 HydrophobicContact CB-CH2 4.1Å; F56-W75 HydrophobicContact CB-CZ3 4.43Å; F56-W75 HydrophobicContact CG-CH2 4.27Å; F56-Y92 HydrophobicContact CE1-CE2 4.1Å; F56-Y92 HydrophobicContact CE2-CE2 4.18Å; F56-Y92 AromaticContact CZ-CE2 3.88Å; F56-Y92 HydrophobicContact CZ-CE2 3.88Å; F56-L101 HydrophobicContact CE1-CD2 4.06Å; F56-L101 HydrophobicContact CE2-CD1 4.26Å; F56-L101 HydrophobicContact CZ-CD1 3.66Å; F56-L101 HydrophobicContact CZ-CD2 3.66Å; F56-L101 HydrophobicContact CZ-CG 4.31Å; F56-V217 HydrophobicContact CD1-CG2 4.39Å; F56-V217 HydrophobicContact CE1-CG2 3.87Å
57	L	98.9	Very high	98.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.3	-42.4	177.5	-62.9	-175.2	0	0	0	111.8	A53 D54 H55 L60 A61 V206 L213 V217	A53-L57 WeakPolarHBondContact O-CG 3.17Å; A53-L57 PolarHBondContact O-N 2.74Å; D54-L57 PolarHBondContact O-N 2.94Å; H55-L57 VanDerWaalsContact C-N 3.34Å; H55-L57 PolarHBondContact O-N 3.43Å; L57-L60 PolarHBondContact O-N 2.74Å; L57-A61 PolarHBondContact O-N 3.39Å; L57-V206 HydrophobicContact CB-CG2 3.9Å; L57-V206 HydrophobicContact CD1-CG2 4.28Å; L57-L213 HydrophobicContact CD2-CB 4.02Å; L57-L213 WeakPolarHBondContact O-CD1 3.43Å; L57-V217 HydrophobicContact CD2-CG2 3.9Å
58	G	98.8	Very high	98.7	Very high	7 Å²	7	20.3 Å²	20.3	7%	0.072	10%	0.096	C	C	.	.	H	α-helix	trans	-66.3	-42.1	175.1	0	0	0	0	0	113.1	D54 H55 F56 L60 A61 F62	D54-G58 PolarHBondContact O-N 2.72Å; H55-G58 PolarHBondContact O-N 2.86Å; F56-G58 VanDerWaalsContact C-N 3.33Å; F56-G58 PolarHBondContact O-N 3.41Å; G58-L60 VanDerWaalsContact C-N 3.31Å; G58-L60 PolarHBondContact O-N 3.44Å; G58-A61 PolarHBondContact O-N 2.8Å; G58-F62 WeakPolarHBondContact O-CB 3.38Å; G58-F62 PolarHBondContact O-N 3Å
59	S	98.9	Very high	98.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.4	-36.8	176.9	-63.6	0	0	0	0	112.3	H55 F56 F62 A63 P201	H55-S59 WeakPolarHBondContact O-CB 3.49Å; H55-S59 PolarHBondContact O-N 2.82Å; H55-S59 PolarHBondContact O-OG 3.17Å; H55-S59 VanDerWaalsContact O-OG 3.05Å; F56-S59 PolarHBondContact O-N 3.48Å; S59-F62 PolarHBondContact O-N 3.48Å; S59-A63 WeakPolarHBondContact O-CB 3.26Å; S59-A63 PolarHBondContact O-N 2.98Å; S59-P201 WeakPolarHBondContact OG-CD 3.19Å
60	L	98.9	Very high	98.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.5	-44.3	174.8	-176.6	64.9	0	0	0	111.4	F56 L57 G58 K64 L70 L101 Y104 V107	F56-L60 HydrophobicContact CZ-CD2 4.36Å; F56-L60 WeakPolarHBondContact O-CB 3.42Å; F56-L60 PolarHBondContact O-N 3.19Å; L57-L60 PolarHBondContact O-N 2.74Å; G58-L60 VanDerWaalsContact C-N 3.31Å; G58-L60 PolarHBondContact O-N 3.44Å; L60-K64 PolarHBondContact O-N 3.02Å; L60-K64 VanDerWaalsContact O-N 3.17Å; L60-L70 HydrophobicContact CB-CD2 4.24Å; L60-L70 HydrophobicContact CD1-CD2 4.03Å; L60-L101 HydrophobicContact CD2-CD2 4.06Å; L60-Y104 HydrophobicContact CD1-CD1 4.03Å; L60-Y104 HydrophobicContact CD2-CD1 3.77Å; L60-Y104 HydrophobicContact CD2-CE1 4.29Å; L60-Y104 HydrophobicContact CD2-CG 4.44Å; L60-Y104 HydrophobicContact CG-CD1 3.56Å; L60-Y104 HydrophobicContact CG-CE1 3.81Å; L60-V107 HydrophobicContact CD1-CG1 3.86Å
61	A	98.9	Very high	98.8	Very high	7 Å²	7	13.8 Å²	13.8	6%	0.058	7%	0.071	C	C	.	.	H	α-helix	trans	-64.2	-42.6	174.1	0	0	0	0	0	112.3	L57 G58 K64 M65 H210 L213	L57-A61 PolarHBondContact O-N 3.39Å; G58-A61 PolarHBondContact O-N 2.8Å; A61-K64 PolarHBondContact O-N 3.08Å; A61-M65 WeakPolarHBondContact O-CB 3.36Å; A61-M65 PolarHBondContact O-N 3.13Å; A61-H210 VanDerWaalsContact CB-CE1 3.42Å; A61-H210 WeakPolarHBondContact CB-CE1 3.18Å; A61-H210 WeakPolarHBondContact CB-NE2 3.37Å; A61-L213 HydrophobicContact CB-CD1 3.95Å
62	F	98.9	Very high	98.8	Very high	5 Å²	5	12.4 Å²	12.4	2%	0.022	6%	0.063	C	C	.	.	H	α-helix	trans	-62.8	-43.1	178.1	-178.7	-98.8	0	0	0	112.3	V40 G58 S59 K64 M65 L66 F175 W183 P201	V40-F62 HydrophobicContact CG1-CD1 4.37Å; V40-F62 HydrophobicContact CG2-CD1 4.45Å; V40-F62 HydrophobicContact CG2-CE1 4.37Å; G58-F62 WeakPolarHBondContact O-CB 3.38Å; G58-F62 PolarHBondContact O-N 3Å; S59-F62 PolarHBondContact O-N 3.48Å; F62-K64 VanDerWaalsContact C-N 3.33Å; F62-K64 PolarHBondContact O-N 3.31Å; F62-M65 HydrophobicContact CD2-CE 3.36Å; F62-M65 HydrophobicContact CD2-SD 4.42Å; F62-M65 HydrophobicContact CE2-CE 3.39Å; F62-M65 HydrophobicContact CG-CE 4.32Å; F62-M65 HydrophobicContact CZ-CE 4.37Å; F62-M65 WeakPolarHBondContact O-CB 3.2Å; F62-M65 PolarHBondContact O-N 3.09Å; F62-L66 HydrophobicContact CD1-CD1 4.25Å; F62-L66 HydrophobicContact CE1-CD1 3.48Å; F62-L66 VanDerWaalsContact CE1-CD1 3.48Å; F62-L66 HydrophobicContact CE1-CG 4.24Å; F62-L66 HydrophobicContact CE2-CD1 4.17Å; F62-L66 HydrophobicContact CE2-CG 4.43Å; F62-L66 HydrophobicContact CZ-CD1 3.44Å; F62-L66 VanDerWaalsContact CZ-CD1 3.44Å; F62-L66 HydrophobicContact CZ-CG 4.14Å; F62-L66 PolarHBondContact O-N 3.48Å; F62-F175 HydrophobicContact CD2-CB 4Å; F62-F175 HydrophobicContact CD2-CD1 4.35Å; F62-F175 HydrophobicContact CE2-CB 4.1Å; F62-F175 AromaticContact CE2-CD1 3.76Å; F62-F175 HydrophobicContact CE2-CD1 3.76Å; F62-F175 HydrophobicContact CE2-CG 4.42Å; F62-F175 AromaticContact CZ-CD1 3.94Å; F62-F175 HydrophobicContact CZ-CD1 3.94Å; F62-W183 HydrophobicContact CE2-CD2 4.19Å; F62-W183 AromaticContact CE2-CE2 3.94Å; F62-W183 HydrophobicContact CE2-CG 4.38Å; F62-W183 HydrophobicContact CE2-CZ2 4.43Å; F62-W183 AromaticContact CE2-NE1 3.88Å; F62-W183 AromaticContact CZ-CD2 3.89Å; F62-W183 HydrophobicContact CZ-CD2 3.89Å; F62-W183 AromaticContact CZ-CE2 3.88Å; F62-W183 HydrophobicContact CZ-CE3 4.08Å; F62-W183 HydrophobicContact CZ-CG 4.41Å; F62-W183 HydrophobicContact CZ-CH2 4.4Å; F62-W183 HydrophobicContact CZ-CZ2 4.17Å; F62-W183 HydrophobicContact CZ-CZ3 4.35Å; F62-P201 HydrophobicContact CB-CB 4.38Å; F62-P201 HydrophobicContact CB-CG 4.25Å; F62-P201 HydrophobicContact CD1-CB 3.53Å; F62-P201 HydrophobicContact CD1-CG 3.42Å; F62-P201 VanDerWaalsContact CD1-CG 3.42Å; F62-P201 HydrophobicContact CD2-CB 4.18Å; F62-P201 HydrophobicContact CE1-CB 3.7Å; F62-P201 HydrophobicContact CE1-CG 3.89Å; F62-P201 HydrophobicContact CE2-CB 4.34Å; F62-P201 HydrophobicContact CG-CB 3.77Å; F62-P201 HydrophobicContact CG-CG 3.93Å; F62-P201 HydrophobicContact CZ-CB 4.1Å
63	A	98.9	Very high	98.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61	-42.6	175.4	0	0	0	0	0	111.6	V40 S59 L66 N67 R68 L70 H105	V40-A63 HydrophobicContact CB-CB 4.48Å; S59-A63 WeakPolarHBondContact O-CB 3.26Å; S59-A63 PolarHBondContact O-N 2.98Å; A63-L66 PolarHBondContact O-N 2.87Å; A63-N67 PolarHBondContact O-N 3.34Å; A63-N67 VanDerWaalsContact O-N 3.09Å; A63-R68 PolarHBondContact O-N 3.47Å; A63-L70 HydrophobicContact CB-CB 3.71Å; A63-L70 HydrophobicContact CB-CD1 4.19Å; A63-L70 HydrophobicContact CB-CG 4.41Å; A63-H105 PolarHBondContact O-NE2 3.06Å
64	K	98.8	Very high	98.8	Very high	92 Å²	92	12.5 Å²	12.5	40%	0.4	6%	0.064	S	C	.	.	H	α-helix	trans	-62.6	-44.9	173.9	-174.3	172	-174.8	150	0	112.3	L60 A61 F62 L66 N67 Y104 H105	L60-K64 PolarHBondContact O-N 3.02Å; L60-K64 VanDerWaalsContact O-N 3.17Å; A61-K64 PolarHBondContact O-N 3.08Å; F62-K64 VanDerWaalsContact C-N 3.33Å; F62-K64 PolarHBondContact O-N 3.31Å; K64-L66 VanDerWaalsContact C-N 3.26Å; K64-L66 PolarHBondContact O-N 3.18Å; K64-N67 PolarHBondContact O-N 3.04Å; K64-Y104 HydrophobicContact CB-CE1 3.88Å; K64-Y104 HydrophobicContact CD-CD1 4.07Å; K64-Y104 HydrophobicContact CD-CD2 4.3Å; K64-Y104 HydrophobicContact CD-CE1 3.52Å; K64-Y104 HydrophobicContact CD-CE2 3.79Å; K64-Y104 HydrophobicContact CD-CG 4.45Å; K64-Y104 HydrophobicContact CG-CE1 4.34Å; K64-Y104 PolarHBondContact NZ-O 3.36Å; K64-H105 HydrophobicContact CB-CB 3.96Å; K64-H105 HydrophobicContact CD-CB 4.3Å; K64-H105 HydrophobicContact CG-CB 4.24Å; K64-H105 PolarHBondContact N-CD2 3.11Å
65	M	98.4	Very high	98.8	Very high	26 Å²	26	12.8 Å²	12.8	13%	0.128	7%	0.065	C	C	.	.	H	α-helix	trans	-56.8	-40.3	177.2	179.3	-164.7	82.4	0	0	111.6	A61 F62 N67 A177 Q180	A61-M65 WeakPolarHBondContact O-CB 3.36Å; A61-M65 PolarHBondContact O-N 3.13Å; F62-M65 HydrophobicContact CD2-CE 3.36Å; F62-M65 HydrophobicContact CD2-SD 4.42Å; F62-M65 HydrophobicContact CE2-CE 3.39Å; F62-M65 HydrophobicContact CG-CE 4.32Å; F62-M65 HydrophobicContact CZ-CE 4.37Å; F62-M65 WeakPolarHBondContact O-CB 3.2Å; F62-M65 PolarHBondContact O-N 3.09Å; M65-N67 VanDerWaalsContact C-N 3.29Å; M65-A177 VanDerWaalsContact SD-CA 3.51Å; M65-A177 HydrophobicContact SD-CB 4.36Å; M65-Q180 HydrophobicContact CE-CB 4.32Å; M65-Q180 HydrophobicContact CG-CB 3.74Å; M65-Q180 HydrophobicContact CG-CG 3.68Å; M65-Q180 PolarHBondContact O-NE2 3.1Å; M65-Q180 HydrophobicContact SD-CB 3.92Å; M65-Q180 HydrophobicContact SD-CG 4.47Å
66	L	98.7	Very high	98.8	Very high	15 Å²	15	12.4 Å²	12.4	8%	0.079	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	0	176.3	-60.3	-169.1	0	0	0	114.2	F62 A63 K64 R68 W183 I184 L195	F62-L66 HydrophobicContact CD1-CD1 4.25Å; F62-L66 HydrophobicContact CE1-CD1 3.48Å; F62-L66 VanDerWaalsContact CE1-CD1 3.48Å; F62-L66 HydrophobicContact CE1-CG 4.24Å; F62-L66 HydrophobicContact CE2-CD1 4.17Å; F62-L66 HydrophobicContact CE2-CG 4.43Å; F62-L66 HydrophobicContact CZ-CD1 3.44Å; F62-L66 VanDerWaalsContact CZ-CD1 3.44Å; F62-L66 HydrophobicContact CZ-CG 4.14Å; F62-L66 PolarHBondContact O-N 3.48Å; A63-L66 PolarHBondContact O-N 2.87Å; K64-L66 VanDerWaalsContact C-N 3.26Å; K64-L66 PolarHBondContact O-N 3.18Å; L66-R68 HydrophobicContact CB-CB 4.41Å; L66-R68 HydrophobicContact CB-CG 4.14Å; L66-R68 PolarHBondContact O-N 3.18Å; L66-W183 HydrophobicContact CD1-CB 4.36Å; L66-W183 HydrophobicContact CD1-CE3 4.42Å; L66-W183 HydrophobicContact CD2-CB 3.44Å; L66-W183 VanDerWaalsContact CD2-CB 3.44Å; L66-W183 HydrophobicContact CD2-CG 4.12Å; L66-I184 HydrophobicContact CD2-CG1 4.27Å; L66-L195 HydrophobicContact CD1-CD1 3.97Å
67	N	98.8	Very high	98.7	Very high	70 Å²	70	14.8 Å²	14.8	37%	0.374	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	39.5	-169.9	-171.3	35.1	0	0	0	112.8	N37 A63 K64 M65 R106	N37-N67 WeakPolarHBondContact CB-O 3.28Å; N37-N67 PolarHBondContact OD1-ND2 3.04Å; A63-N67 PolarHBondContact O-N 3.34Å; A63-N67 VanDerWaalsContact O-N 3.09Å; K64-N67 PolarHBondContact O-N 3.04Å; M65-N67 VanDerWaalsContact C-N 3.29Å; N67-R106 PolarHBondContact O-NH2 3.34Å; N67-R106 PolarHBondContact OD1-NH1 2.7Å; N67-R106 PolarHBondContact OD1-NH2 3.23Å
68	R	98.9	Very high	98.4	Very high	7 Å²	7	16.8 Å²	16.8	3%	0.026	9%	0.086	C	C	.	.			trans	-110.2	141.1	179.1	-78	169.6	-179.6	-83.4	8.6	110.6	N37 G38 V40 A63 L66 L70 H105 F187 A189 H192 P193	N37-R68 WeakPolarHBondContact O-CG 3.48Å; G38-R68 CarbonylContact O-C 3.55Å; G38-R68 VanDerWaalsContact O-CA 3.27Å; G38-R68 WeakPolarHBondContact O-CA 3.06Å; G38-R68 WeakPolarHBondContact O-CB 3.46Å; V40-R68 HydrophobicContact CG2-CB 3.79Å; V40-R68 HydrophobicContact CG2-CG 4.45Å; A63-R68 PolarHBondContact O-N 3.47Å; L66-R68 HydrophobicContact CB-CB 4.41Å; L66-R68 HydrophobicContact CB-CG 4.14Å; L66-R68 PolarHBondContact O-N 3.18Å; R68-L70 PolarHBondContact O-N 2.87Å; R68-H105 PolarHBondContact O-CD2 3.04Å; R68-H105 PolarHBondContact O-NE2 3.33Å; R68-F187 PolarHBondContact NH2-O 2.96Å; R68-A189 VanDerWaalsContact NH2-CA 3.31Å; R68-H192 VanDerWaalsContact CZ-O 3.26Å; R68-H192 PolarHBondContact NH1-O 3.08Å; R68-H192 PolarHBondContact NH2-O 3.24Å; R68-P193 PolarHBondContact NH1-O 3.16Å
69	T	98.9	Very high	98.1	Very high	11 Å²	11	20.4 Å²	20.4	7%	0.067	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	128.5	174.3	-70.7	0	0	0	0	110	D35 G38 Y39 V40 R106 V108	D35-T69 PolarHBondContact OD2-OG1 2.62Å; G38-T69 PolarHBondContact O-N 3.4Å; Y39-T69 CarbonylContact C-O 3.56Å; Y39-T69 VanDerWaalsContact CA-O 3.24Å; Y39-T69 WeakPolarHBondContact CA-O 3.47Å; Y39-T69 HydrophobicContact CD1-CG2 3.8Å; Y39-T69 HydrophobicContact CE1-CG2 3.66Å; V40-T69 PolarHBondContact N-O 3.41Å; T69-R106 HydrophobicContact CG2-CB 4.38Å; T69-R106 WeakPolarHBondContact OG1-CB 3.31Å; T69-V108 HydrophobicContact CG2-CB 4.38Å; T69-V108 HydrophobicContact CG2-CG1 3.97Å
70	L	98.9	Very high	97.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	122.4	175.1	-178.6	63.7	0	0	0	109.8	V40 Y42 F56 L60 A63 R68 V72 R106 V107 V108	V40-L70 HydrophobicContact CB-CD1 4.27Å; V40-L70 HydrophobicContact CG1-CD1 4.16Å; Y42-L70 HydrophobicContact CD1-CD1 4.1Å; Y42-L70 HydrophobicContact CE1-CD1 3.99Å; F56-L70 HydrophobicContact CE2-CD2 4.15Å; L60-L70 HydrophobicContact CB-CD2 4.24Å; L60-L70 HydrophobicContact CD1-CD2 4.03Å; A63-L70 HydrophobicContact CB-CB 3.71Å; A63-L70 HydrophobicContact CB-CD1 4.19Å; A63-L70 HydrophobicContact CB-CG 4.41Å; R68-L70 PolarHBondContact O-N 2.87Å; L70-V72 HydrophobicContact CD2-CG2 3.98Å; L70-V72 HydrophobicContact CG-CG2 4.07Å; L70-V72 PolarHBondContact O-N 2.68Å; L70-R106 PolarHBondContact N-O 3.06Å; L70-V107 HydrophobicContact CB-CG1 4.23Å; L70-V107 CarbonylContact O-C 3.4Å; L70-V107 WeakPolarHBondContact O-CA 3.27Å; L70-V108 PolarHBondContact O-N 2.77Å; L70-V108 VanDerWaalsContact O-O 3.11Å
71	A	98.8	Very high	96.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	98.7	163.3	0	0	0	0	0	108.4	V40 L41 P73 V108 L110 F113	V40-A71 PolarHBondContact O-N 2.79Å; L41-A71 HydrophobicContact CD1-CB 3.55Å; L41-A71 HydrophobicContact CG-CB 3.73Å; A71-P73 WeakPolarHBondContact O-CD 3.35Å; A71-V108 CarbonylContact C-O 3.57Å; A71-V108 WeakPolarHBondContact CA-O 3.22Å; A71-V108 HydrophobicContact CB-CG1 4.23Å; A71-L110 HydrophobicContact CB-CB 4.46Å; A71-L110 HydrophobicContact CB-CD1 4Å; A71-F113 HydrophobicContact CB-CB 4.37Å; A71-F113 HydrophobicContact CB-CG 4.47Å
72	V	98.9	Very high	96.2	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	116.8	-176.4	-176	0	0	0	0	108.9	F56 L70 Y92 L98 L101 V107 V108 L110	F56-V72 HydrophobicContact CD2-CG1 4.11Å; F56-V72 HydrophobicContact CE2-CB 4.49Å; F56-V72 HydrophobicContact CE2-CG1 3.65Å; F56-V72 HydrophobicContact CE2-CG2 4.05Å; L70-V72 HydrophobicContact CD2-CG2 3.98Å; L70-V72 HydrophobicContact CG-CG2 4.07Å; L70-V72 PolarHBondContact O-N 2.68Å; V72-Y92 HydrophobicContact CG1-CD1 4.48Å; V72-Y92 HydrophobicContact CG1-CD2 3.54Å; V72-Y92 HydrophobicContact CG1-CE2 4.21Å; V72-Y92 HydrophobicContact CG1-CG 3.71Å; V72-L98 HydrophobicContact CB-CD1 4.06Å; V72-L98 HydrophobicContact CG2-CD1 3.94Å; V72-L101 HydrophobicContact CG2-CD1 4.08Å; V72-V107 HydrophobicContact CG2-CB 4.04Å; V72-V107 HydrophobicContact CG2-CG1 4.22Å; V72-V108 PolarHBondContact N-O 3Å; V72-L110 PolarHBondContact O-N 3.4Å
73	P	98.8	Very high	95.5	Very high	4 Å²	4	38.6 Å²	38.6	3%	0.026	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-75.3	160.7	-176	32	-36.2	0	0	0	112	Y42 P44 A71 L110 F156	Y42-P73 HydrophobicContact CD1-CG 4.27Å; Y42-P73 HydrophobicContact CD2-CG 4.37Å; Y42-P73 HydrophobicContact CE1-CG 3.7Å; Y42-P73 HydrophobicContact CE2-CG 3.82Å; Y42-P73 VanDerWaalsContact CZ-CG 3.44Å; Y42-P73 WeakPolarHBondContact O-CB 3.41Å; P44-P73 HydrophobicContact CB-CG 4.45Å; P44-P73 HydrophobicContact CG-CB 4.15Å; P44-P73 HydrophobicContact CG-CG 3.94Å; A71-P73 WeakPolarHBondContact O-CD 3.35Å; P73-L110 HydrophobicContact CB-CD2 4.18Å; P73-F156 HydrophobicContact CB-CE2 3.89Å; P73-F156 HydrophobicContact CB-CZ 3.75Å
74	P	98.7	Very high	95.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-63.7	151.5	165.1	30.1	-37	0	0	0	110.7	P44 H89 V90 F156 Y159	P44-P74 VanDerWaalsContact CG-O 3.3Å; P44-P74 WeakPolarHBondContact CG-O 3.33Å; P74-H89 HydrophobicContact CB-CB 4.09Å; P74-H89 HydrophobicContact CG-CB 4.1Å; P74-V90 CarbonylContact C-O 2.95Å; P74-V90 VanDerWaalsContact CA-O 3.28Å; P74-V90 WeakPolarHBondContact CA-O 3.32Å; P74-V90 WeakPolarHBondContact CB-O 3.47Å; P74-F156 HydrophobicContact CG-CE2 3.94Å; P74-Y159 HydrophobicContact CB-CE1 4.43Å; P74-Y159 HydrophobicContact CG-CD1 4.2Å; P74-Y159 HydrophobicContact CG-CE1 3.87Å
75	W	98.6	Very high	94.8	Very high	8 Å²	8	45 Å²	45	3%	0.03	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	141.3	170.2	-55.3	106.8	0	0	0	110.5	F49 Q52 A53 F56 H89 V90 Y92 F95 F96	F49-W75 HydrophobicContact CD2-CD2 4.2Å; F49-W75 HydrophobicContact CD2-CE3 4.19Å; F49-W75 HydrophobicContact CE2-CD2 4.04Å; F49-W75 HydrophobicContact CE2-CE3 4.22Å; F49-W75 HydrophobicContact CE2-CH2 4.34Å; F49-W75 HydrophobicContact CE2-CZ2 4.15Å; F49-W75 HydrophobicContact CE2-CZ3 4.37Å; Q52-W75 HydrophobicContact CB-CE3 3.8Å; Q52-W75 HydrophobicContact CB-CZ3 3.76Å; A53-W75 HydrophobicContact CB-CH2 4.41Å; A53-W75 HydrophobicContact CB-CZ3 4.48Å; F56-W75 HydrophobicContact CB-CH2 4.1Å; F56-W75 HydrophobicContact CB-CZ3 4.43Å; F56-W75 HydrophobicContact CG-CH2 4.27Å; W75-H89 WeakPolarHBondContact O-CA 3.18Å; W75-V90 HydrophobicContact CB-CB 4.48Å; W75-V90 PolarHBondContact N-O 3.47Å; W75-V90 PolarHBondContact O-N 3.2Å; W75-Y92 AromaticContact CE2-CD2 4Å; W75-Y92 AromaticContact CZ2-CD2 3.61Å; W75-Y92 HydrophobicContact CZ2-CD2 3.61Å; W75-Y92 AromaticContact CZ2-CE2 3.78Å; W75-Y92 HydrophobicContact CZ2-CE2 3.78Å; W75-F95 AromaticContact CD1-CD2 3.43Å; W75-F95 VanDerWaalsContact CD1-CD2 3.43Å; W75-F95 AromaticContact CD1-CE2 3.74Å; W75-F95 HydrophobicContact CG-CD2 4.26Å; W75-F95 HydrophobicContact CG-CE2 4.3Å; W75-F95 AromaticContact NE1-CD2 3.66Å; W75-F96 AromaticContact CZ2-CD2 3.84Å; W75-F96 HydrophobicContact CZ2-CD2 3.84Å; W75-F96 AromaticContact CZ2-CE2 3.66Å; W75-F96 HydrophobicContact CZ2-CE2 3.66Å; W75-F96 AromaticContact NE1-CD2 3.96Å
76	I	98.3	Very high	94.5	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	115.7	172.7	-63.9	159.7	0	0	0	108.6	P44 Q52 Y78 N87 P152 F156	P44-I76 HydrophobicContact CG-CD1 3.92Å; P44-I76 HydrophobicContact CG-CG1 4.21Å; Q52-I76 PolarHBondContact NE2-O 2.86Å; I76-Y78 HydrophobicContact CG2-CD2 4.32Å; I76-Y78 HydrophobicContact CG2-CE1 4.33Å; I76-Y78 HydrophobicContact CG2-CE2 3.95Å; I76-N87 HydrophobicContact CG2-CB 4.3Å; I76-P152 HydrophobicContact CD1-CB 3.89Å; I76-P152 HydrophobicContact CD1-CG 4.04Å; I76-P152 HydrophobicContact CG2-CB 4.15Å; I76-F156 HydrophobicContact CD1-CB 4.45Å; I76-F156 HydrophobicContact CD1-CD2 4.05Å; I76-F156 HydrophobicContact CG1-CD2 4.24Å
77	V	96.6	Very high	94.2	Very high	54 Å²	54	47.8 Å²	47.8	33%	0.327	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	110.9	175.3	-178.3	0	0	0	0	109.2	V88 V90	V77-V88 HydrophobicContact CB-CB 4.36Å; V77-V88 PolarHBondContact N-O 2.77Å; V77-V88 PolarHBondContact O-N 2.68Å; V77-V90 HydrophobicContact CG2-CG2 3.71Å
78	Y	93.9	Very high	94.1	Very high	41 Å²	41	47 Å²	47	16%	0.161	24%	0.241	C	C	.	.			trans	-77.7	124.9	177.6	-64.2	-87.7	0	0	0	111	G47 R48 I76 H80 P152	G47-Y78 WeakPolarHBondContact O-CE2 3.49Å; R48-Y78 HydrophobicContact CG-CD2 4.06Å; I76-Y78 HydrophobicContact CG2-CD2 4.32Å; I76-Y78 HydrophobicContact CG2-CE1 4.33Å; I76-Y78 HydrophobicContact CG2-CE2 3.95Å; Y78-H80 AromaticContact CD1-CE1 3.92Å; Y78-H80 AromaticContact CD1-NE2 3.41Å; Y78-H80 WeakPolarHBondContact CD1-NE2 3.5Å; Y78-H80 AromaticContact CG-NE2 3.88Å; Y78-P152 HydrophobicContact CE1-CB 4.34Å; Y78-P152 VanDerWaalsContact OH-CG 3.29Å; Y78-P152 WeakPolarHBondContact OH-CG 3.38Å
79	R	90.8	Very high	94	Very high	84 Å²	84	47.9 Å²	47.9	32%	0.317	25%	0.245	S	C	.	.			trans	-106.7	37.8	178.6	-60.7	-170.5	66.5	-155.5	-4.9	113.4	H81 A82 P83 Y85 T86 V88	R79-H81 PolarHBondContact O-N 2.91Å; R79-A82 PolarHBondContact O-N 2.9Å; R79-P83 VanDerWaalsContact CZ-O 3.32Å; R79-P83 PolarHBondContact NH1-O 3.25Å; R79-P83 PolarHBondContact NH2-O 3.34Å; R79-Y85 WeakPolarHBondContact O-CA 3.3Å; R79-T86 WeakPolarHBondContact CB-O 3.29Å; R79-V88 HydrophobicContact CG-CG2 4.13Å
80	H	87.9	Confident	94	Very high	131 Å²	131	48.5 Å²	48.5	61%	0.606	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-21.8	178.9	-58.6	-49.6	0	0	0	114.3	Y78 Y85	Y78-H80 AromaticContact CD1-CE1 3.92Å; Y78-H80 AromaticContact CD1-NE2 3.41Å; Y78-H80 WeakPolarHBondContact CD1-NE2 3.5Å; Y78-H80 AromaticContact CG-NE2 3.88Å; H80-Y85 WeakPolarHBondContact O-CD1 3.41Å
81	H	85.2	Confident	93.9	Very high	161 Å²	161	50.1 Å²	50.1	75%	0.745	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-2.9	-180	63.3	-82.9	0	0	0	113.9	R79	R79-H81 PolarHBondContact O-N 2.91Å
82	A	83.9	Confident	93.9	Very high	18 Å²	18	50.1 Å²	50.1	15%	0.149	26%	0.26	C	S	.	.	S	Bend	trans	-142.3	127.9	-174.2	0	0	0	0	0	112.5	R79 Y85	R79-A82 PolarHBondContact O-N 2.9Å; A82-Y85 WeakPolarHBondContact O-CA 3.21Å; A82-Y85 PolarHBondContact O-N 3.13Å
83	P	84.8	Confident	93.9	Very high	83 Å²	83	55.9 Å²	55.9	54%	0.539	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	142.7	174.3	-23.9	30.4	0	0	0	112.8	R79 Y85	R79-P83 VanDerWaalsContact CZ-O 3.32Å; R79-P83 PolarHBondContact NH1-O 3.25Å; R79-P83 PolarHBondContact NH2-O 3.34Å; P83-Y85 VanDerWaalsContact C-N 3.33Å; P83-Y85 HydrophobicContact CB-CE2 4.14Å; P83-Y85 HydrophobicContact CG-CE1 4.24Å; P83-Y85 HydrophobicContact CG-CE2 3.96Å
84	P	92.1	Very high	93.8	Very high	89 Å²	89	60.5 Å²	60.5	58%	0.578	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.6	20.3	7.1	36.1	-36.1	0	0	0	114.5	T86	P84-T86 PolarHBondContact O-N 3.45Å; P84-T86 VanDerWaalsContact O-N 3.15Å
85	Y	91.4	Very high	93.8	Very high	137 Å²	137	60.9 Å²	60.9	54%	0.537	30%	0.304	S	S	.	.			trans	64.8	11.8	177.4	-45.1	-74.2	0	0	0	116	R79 H80 A82 P83	R79-Y85 WeakPolarHBondContact O-CA 3.3Å; H80-Y85 WeakPolarHBondContact O-CD1 3.41Å; A82-Y85 WeakPolarHBondContact O-CA 3.21Å; A82-Y85 PolarHBondContact O-N 3.13Å; P83-Y85 VanDerWaalsContact C-N 3.33Å; P83-Y85 HydrophobicContact CB-CE2 4.14Å; P83-Y85 HydrophobicContact CG-CE1 4.24Å; P83-Y85 HydrophobicContact CG-CE2 3.96Å
86	T	92.3	Very high	93.8	Very high	82 Å²	82	60.5 Å²	60.5	50%	0.503	30%	0.303	S	S	.	.			trans	-92.2	155.7	174.8	57	0	0	0	0	111.2	R79 P84	R79-T86 WeakPolarHBondContact CB-O 3.29Å; P84-T86 PolarHBondContact O-N 3.45Å; P84-T86 VanDerWaalsContact O-N 3.15Å
87	N	92.5	Very high	93.9	Very high	18 Å²	18	64.6 Å²	64.6	10%	0.096	32%	0.322	C	S	.	.			trans	-62.1	141.4	174.3	-61.6	-0	0	0	0	109.8	I76 N151 P152	I76-N87 HydrophobicContact CG2-CB 4.3Å; N87-N151 PolarHBondContact ND2-ND2 3.04Å; N87-N151 PolarHBondContact ND2-OD1 2.95Å; N87-N151 PolarHBondContact OD1-ND2 2.79Å; N87-P152 WeakPolarHBondContact ND2-CB 3.5Å
88	V	95.3	Very high	93.9	Very high	55 Å²	55	62.8 Å²	62.8	33%	0.333	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.7	167.8	175.4	0	0	0	0	108.5	V77 R79 V90	V77-V88 HydrophobicContact CB-CB 4.36Å; V77-V88 PolarHBondContact N-O 2.77Å; V77-V88 PolarHBondContact O-N 2.68Å; R79-V88 HydrophobicContact CG-CG2 4.13Å; V88-V90 HydrophobicContact CG1-CG2 3.9Å
89	H	97.6	Very high	94	Very high	24 Å²	24	63.5 Å²	63.5	11%	0.111	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	116	175	-58.4	100.5	0	0	0	108.2	P74 W75 P155 F156 Y159	P74-H89 HydrophobicContact CB-CB 4.09Å; P74-H89 HydrophobicContact CG-CB 4.1Å; W75-H89 WeakPolarHBondContact O-CA 3.18Å; H89-P155 PolarHBondContact CE1-O 2.91Å; H89-P155 VanDerWaalsContact CE1-O 3.3Å; H89-F156 WeakPolarHBondContact NE2-CA 3.38Å; H89-Y159 HydrophobicContact CB-CD1 3.62Å; H89-Y159 HydrophobicContact CB-CD2 3.95Å; H89-Y159 HydrophobicContact CB-CE1 3.6Å; H89-Y159 HydrophobicContact CB-CE2 3.9Å; H89-Y159 HydrophobicContact CB-CG 3.82Å; H89-Y159 AromaticContact CG-CD1 3.72Å; H89-Y159 AromaticContact CG-CG 3.63Å; H89-Y159 WeakPolarHBondContact ND1-CB 3.43Å; H89-Y159 AromaticContact ND1-CD1 3.96Å; H89-Y159 AromaticContact ND1-CD2 3.65Å; H89-Y159 AromaticContact ND1-CG 3.37Å
90	V	97.9	Very high	94.3	Very high	24 Å²	24	60.7 Å²	60.7	15%	0.145	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	116.9	-176.6	-176.1	0	0	0	0	108.8	P74 W75 V77 V88 E94 F95	P74-V90 CarbonylContact C-O 2.95Å; P74-V90 VanDerWaalsContact CA-O 3.28Å; P74-V90 WeakPolarHBondContact CA-O 3.32Å; P74-V90 WeakPolarHBondContact CB-O 3.47Å; W75-V90 HydrophobicContact CB-CB 4.48Å; W75-V90 PolarHBondContact N-O 3.47Å; W75-V90 PolarHBondContact O-N 3.2Å; V77-V90 HydrophobicContact CG2-CG2 3.71Å; V88-V90 HydrophobicContact CG1-CG2 3.9Å; V90-E94 HydrophobicContact CG1-CB 3.68Å; V90-E94 HydrophobicContact CG1-CG 3.69Å; V90-F95 HydrophobicContact CB-CE2 4.23Å; V90-F95 HydrophobicContact CB-CZ 4.32Å; V90-F95 HydrophobicContact CG1-CE1 4.23Å; V90-F95 HydrophobicContact CG1-CE2 3.77Å; V90-F95 HydrophobicContact CG1-CZ 3.62Å
91	P	98.3	Very high	94.8	Very high	34 Å²	34	54.4 Å²	54.4	22%	0.221	30%	0.296	C	S	.	.			trans	-53.6	145.7	179.6	-27.3	34.8	0	0	0	112.5	R93 E94 E111	P91-R93 PolarHBondContact O-N 3.42Å; P91-R93 VanDerWaalsContact O-N 3.1Å; P91-E94 HydrophobicContact CB-CG 4.28Å; P91-E94 HydrophobicContact CG-CG 4.43Å; P91-E94 WeakPolarHBondContact O-CB 3.46Å; P91-E94 PolarHBondContact O-N 3.28Å; P91-E94 VanDerWaalsContact O-N 3.09Å; P91-E111 WeakPolarHBondContact CA-OE1 3.47Å
92	Y	98.6	Very high	95.3	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-52.6	-37.5	178	-180	-91	0	0	0	112.4	F56 V72 W75 E94 F95 F96 L98 L101	F56-Y92 HydrophobicContact CE1-CE2 4.1Å; F56-Y92 HydrophobicContact CE2-CE2 4.18Å; F56-Y92 AromaticContact CZ-CE2 3.88Å; F56-Y92 HydrophobicContact CZ-CE2 3.88Å; V72-Y92 HydrophobicContact CG1-CD1 4.48Å; V72-Y92 HydrophobicContact CG1-CD2 3.54Å; V72-Y92 HydrophobicContact CG1-CE2 4.21Å; V72-Y92 HydrophobicContact CG1-CG 3.71Å; W75-Y92 AromaticContact CE2-CD2 4Å; W75-Y92 AromaticContact CZ2-CD2 3.61Å; W75-Y92 HydrophobicContact CZ2-CD2 3.61Å; W75-Y92 AromaticContact CZ2-CE2 3.78Å; W75-Y92 HydrophobicContact CZ2-CE2 3.78Å; Y92-E94 PolarHBondContact O-N 3.41Å; Y92-F95 PolarHBondContact O-N 2.9Å; Y92-F96 HydrophobicContact CD1-CB 3.95Å; Y92-F96 HydrophobicContact CD2-CD2 4.16Å; Y92-F96 HydrophobicContact CE1-CB 3.33Å; Y92-F96 HydrophobicContact CE1-CG 4.38Å; Y92-F96 HydrophobicContact CE2-CB 3.99Å; Y92-F96 AromaticContact CE2-CD2 3.78Å; Y92-F96 HydrophobicContact CE2-CD2 3.78Å; Y92-F96 HydrophobicContact CE2-CG 4.2Å; Y92-F96 AromaticContact CZ-CG 3.95Å; Y92-F96 PolarHBondContact O-N 2.94Å; Y92-F96 WeakPolarHBondContact OH-CB 3.29Å; Y92-L98 HydrophobicContact CD1-CB 4.25Å; Y92-L98 HydrophobicContact CD1-CD1 3.81Å; Y92-L98 HydrophobicContact CE1-CD1 4.27Å; Y92-L98 HydrophobicContact CG-CD1 4.46Å; Y92-L101 HydrophobicContact CE1-CD1 3.78Å; Y92-L101 HydrophobicContact CE1-CG 4.39Å; Y92-L101 HydrophobicContact CE2-CD1 4.43Å
93	R	97.9	Very high	96	Very high	121 Å²	121	53.1 Å²	53.1	46%	0.457	31%	0.309	S	S	.	.	H	α-helix	trans	-61.8	-24.9	-177.6	-71.8	-176.7	177.5	158.8	3.5	114.4	P91 F95 F96 L98 D112	P91-R93 PolarHBondContact O-N 3.42Å; P91-R93 VanDerWaalsContact O-N 3.1Å; R93-F95 VanDerWaalsContact C-N 3.3Å; R93-F95 PolarHBondContact O-N 3.23Å; R93-F96 VanDerWaalsContact CA-O 3.25Å; R93-F96 WeakPolarHBondContact CA-O 3.34Å; R93-L98 HydrophobicContact CG-CB 3.99Å; R93-L98 VanDerWaalsContact NH2-CD2 3.31Å; R93-D112 IonicContact CZ-OD2 2.8Å; R93-D112 IonicContact NH1-OD2 2.82Å; R93-D112 PolarHBondContact NH1-OD2 2.99Å; R93-D112 IonicContact NH2-OD2 2.86Å; R93-D112 PolarHBondContact NH2-OD2 3.1Å
94	E	98	Very high	96.7	Very high	102 Å²	102	51.1 Å²	51.1	48%	0.477	29%	0.291	S	S	.	.	H	α-helix	trans	-62	-42.5	178.1	-64.7	-54.3	137.9	0	0	110.8	V90 P91 Y92 S220	V90-E94 HydrophobicContact CG1-CB 3.68Å; V90-E94 HydrophobicContact CG1-CG 3.69Å; P91-E94 HydrophobicContact CB-CG 4.28Å; P91-E94 HydrophobicContact CG-CG 4.43Å; P91-E94 WeakPolarHBondContact O-CB 3.46Å; P91-E94 PolarHBondContact O-N 3.28Å; P91-E94 VanDerWaalsContact O-N 3.09Å; Y92-E94 PolarHBondContact O-N 3.41Å; E94-S220 WeakPolarHBondContact O-CB 3.18Å; E94-S220 PolarHBondContact O-OG 3.22Å
95	F	98.6	Very high	97	Very high	7 Å²	7	47.6 Å²	47.6	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-98.9	-29.9	-177.5	-53.8	-37.6	0	0	0	113.4	W75 V90 Y92 R93 S220 M223 L341 Q343	W75-F95 AromaticContact CD1-CD2 3.43Å; W75-F95 VanDerWaalsContact CD1-CD2 3.43Å; W75-F95 AromaticContact CD1-CE2 3.74Å; W75-F95 HydrophobicContact CG-CD2 4.26Å; W75-F95 HydrophobicContact CG-CE2 4.3Å; W75-F95 AromaticContact NE1-CD2 3.66Å; V90-F95 HydrophobicContact CB-CE2 4.23Å; V90-F95 HydrophobicContact CB-CZ 4.32Å; V90-F95 HydrophobicContact CG1-CE1 4.23Å; V90-F95 HydrophobicContact CG1-CE2 3.77Å; V90-F95 HydrophobicContact CG1-CZ 3.62Å; Y92-F95 PolarHBondContact O-N 2.9Å; R93-F95 VanDerWaalsContact C-N 3.3Å; R93-F95 PolarHBondContact O-N 3.23Å; F95-S220 PolarHBondContact O-N 3.1Å; F95-M223 HydrophobicContact CD1-CG 4.39Å; F95-M223 HydrophobicContact CD1-SD 4.01Å; F95-L341 HydrophobicContact CE1-CD1 4.48Å; F95-Q343 HydrophobicContact CB-CG 4.38Å; F95-Q343 HydrophobicContact CD1-CB 4.2Å; F95-Q343 HydrophobicContact CD1-CG 3.89Å; F95-Q343 HydrophobicContact CD2-CG 3.78Å; F95-Q343 HydrophobicContact CE1-CB 4.39Å; F95-Q343 HydrophobicContact CE1-CG 4.06Å; F95-Q343 VanDerWaalsContact CE2-CD 3.49Å; F95-Q343 HydrophobicContact CE2-CG 3.97Å; F95-Q343 HydrophobicContact CG-CB 4.46Å; F95-Q343 HydrophobicContact CG-CG 3.76Å; F95-Q343 HydrophobicContact CZ-CG 4.09Å
96	F	98.8	Very high	97.3	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-139.2	152.2	-167.8	-56.4	-64.9	0	0	0	113.6	F49 W75 Y92 R93 L98 V217 V218 W219 F366	F49-F96 AromaticContact CE2-CE2 3.99Å; F49-F96 HydrophobicContact CE2-CE2 3.99Å; F49-F96 HydrophobicContact CE2-CZ 4.31Å; F49-F96 AromaticContact CZ-CE2 3.91Å; F49-F96 HydrophobicContact CZ-CE2 3.91Å; F49-F96 AromaticContact CZ-CZ 3.8Å; F49-F96 HydrophobicContact CZ-CZ 3.8Å; W75-F96 AromaticContact CZ2-CD2 3.84Å; W75-F96 HydrophobicContact CZ2-CD2 3.84Å; W75-F96 AromaticContact CZ2-CE2 3.66Å; W75-F96 HydrophobicContact CZ2-CE2 3.66Å; W75-F96 AromaticContact NE1-CD2 3.96Å; Y92-F96 HydrophobicContact CD1-CB 3.95Å; Y92-F96 HydrophobicContact CD2-CD2 4.16Å; Y92-F96 HydrophobicContact CE1-CB 3.33Å; Y92-F96 HydrophobicContact CE1-CG 4.38Å; Y92-F96 HydrophobicContact CE2-CB 3.99Å; Y92-F96 AromaticContact CE2-CD2 3.78Å; Y92-F96 HydrophobicContact CE2-CD2 3.78Å; Y92-F96 HydrophobicContact CE2-CG 4.2Å; Y92-F96 AromaticContact CZ-CG 3.95Å; Y92-F96 PolarHBondContact O-N 2.94Å; Y92-F96 WeakPolarHBondContact OH-CB 3.29Å; R93-F96 VanDerWaalsContact CA-O 3.25Å; R93-F96 WeakPolarHBondContact CA-O 3.34Å; F96-L98 PolarHBondContact O-N 3.43Å; F96-V217 HydrophobicContact CD1-CG1 3.42Å; F96-V217 VanDerWaalsContact CD1-CG1 3.42Å; F96-V217 HydrophobicContact CD2-CG1 4.22Å; F96-V217 HydrophobicContact CE1-CG1 3.49Å; F96-V217 VanDerWaalsContact CE1-CG1 3.49Å; F96-V217 HydrophobicContact CE2-CG1 4.27Å; F96-V217 HydrophobicContact CG-CG1 3.82Å; F96-V217 HydrophobicContact CZ-CG1 3.94Å; F96-V218 CarbonylContact C-O 3.57Å; F96-V218 WeakPolarHBondContact CA-O 3.33Å; F96-W219 HydrophobicContact CD1-CD2 4.33Å; F96-W219 AromaticContact CD1-CE3 3.91Å; F96-W219 HydrophobicContact CD1-CE3 3.91Å; F96-W219 HydrophobicContact CD1-CZ3 4.27Å; F96-W219 AromaticContact CE1-CD2 3.83Å; F96-W219 HydrophobicContact CE1-CD2 3.83Å; F96-W219 AromaticContact CE1-CE3 3.36Å; F96-W219 HydrophobicContact CE1-CE3 3.36Å; F96-W219 AromaticContact CE1-CH2 3.83Å; F96-W219 HydrophobicContact CE1-CH2 3.83Å; F96-W219 HydrophobicContact CE1-CZ2 4.26Å; F96-W219 AromaticContact CE1-CZ3 3.35Å; F96-W219 HydrophobicContact CE1-CZ3 3.35Å; F96-W219 HydrophobicContact CZ-CE3 4.11Å; F96-W219 AromaticContact CZ-CH2 3.98Å; F96-W219 HydrophobicContact CZ-CH2 3.98Å; F96-W219 AromaticContact CZ-CZ3 3.63Å; F96-W219 HydrophobicContact CZ-CZ3 3.63Å; F96-F366 HydrophobicContact CE1-CE2 4.44Å; F96-F366 AromaticContact CE1-CZ 3.75Å; F96-F366 HydrophobicContact CE1-CZ 3.75Å; F96-F366 AromaticContact CZ-CE2 3.94Å; F96-F366 HydrophobicContact CZ-CE2 3.94Å; F96-F366 AromaticContact CZ-CZ 3.6Å; F96-F366 HydrophobicContact CZ-CZ 3.6Å
97	Q	98.6	Very high	97.6	Very high	90 Å²	90	42.3 Å²	42.3	42%	0.421	24%	0.239	S	C	.	.			trans	-79.6	106.4	178	-58.9	-179.5	25.4	0	0	110.5	G99 A100 V218 W219	Q97-G99 PolarHBondContact O-N 2.88Å; Q97-A100 HydrophobicContact CB-CB 4.26Å; Q97-A100 WeakPolarHBondContact O-CB 3.45Å; Q97-A100 PolarHBondContact O-N 3.01Å; Q97-A100 VanDerWaalsContact O-N 3.17Å; Q97-V218 HydrophobicContact CB-CB 4.39Å; Q97-V218 HydrophobicContact CG-CG1 4.31Å; Q97-V218 PolarHBondContact N-O 3.47Å; Q97-W219 WeakPolarHBondContact CG-O 3.06Å; Q97-W219 PolarHBondContact NE2-O 3.36Å
98	L	96.8	Very high	97.9	Very high	15 Å²	15	41.8 Å²	41.8	8%	0.079	24%	0.236	C	C	.	.	H	α-helix	trans	-56.6	-38.9	177.9	-169.5	78	0	0	0	112.2	V72 Y92 R93 F96 A100 L101 V107	V72-L98 HydrophobicContact CB-CD1 4.06Å; V72-L98 HydrophobicContact CG2-CD1 3.94Å; Y92-L98 HydrophobicContact CD1-CB 4.25Å; Y92-L98 HydrophobicContact CD1-CD1 3.81Å; Y92-L98 HydrophobicContact CE1-CD1 4.27Å; Y92-L98 HydrophobicContact CG-CD1 4.46Å; R93-L98 HydrophobicContact CG-CB 3.99Å; R93-L98 VanDerWaalsContact NH2-CD2 3.31Å; F96-L98 PolarHBondContact O-N 3.43Å; L98-A100 PolarHBondContact O-N 2.98Å; L98-L101 HydrophobicContact CD1-CD1 4.07Å; L98-L101 WeakPolarHBondContact O-CB 3.39Å; L98-L101 PolarHBondContact O-N 2.93Å; L98-V107 HydrophobicContact CD1-CG2 4.2Å; L98-V107 HydrophobicContact CG-CG2 4.09Å
99	G	96.3	Very high	98.1	Very high	57 Å²	57	39.3 Å²	39.3	59%	0.588	22%	0.222	S	C	*	.	H	α-helix	trans	-59.7	-31.3	-179.5	0	0	0	0	0	114	Q97 L101 S102	Q97-G99 PolarHBondContact O-N 2.88Å; G99-L101 PolarHBondContact O-N 3.33Å; G99-S102 VanDerWaalsContact O-CB 3.29Å; G99-S102 WeakPolarHBondContact O-CB 3.29Å; G99-S102 PolarHBondContact O-N 2.99Å; G99-S102 VanDerWaalsContact O-N 3.1Å; G99-S102 PolarHBondContact O-OG 3.38Å
100	A	98	Very high	98.1	Very high	24 Å²	24	38.2 Å²	38.2	20%	0.198	22%	0.216	C	C	.	.	H	α-helix	trans	-64.4	-29.1	-179.9	0	0	0	0	0	112.8	Q97 L98 S102 A103 V218	Q97-A100 HydrophobicContact CB-CB 4.26Å; Q97-A100 WeakPolarHBondContact O-CB 3.45Å; Q97-A100 PolarHBondContact O-N 3.01Å; Q97-A100 VanDerWaalsContact O-N 3.17Å; L98-A100 PolarHBondContact O-N 2.98Å; A100-S102 PolarHBondContact O-N 3.32Å; A100-A103 WeakPolarHBondContact O-CB 3.31Å; A100-A103 PolarHBondContact O-N 3.37Å; A100-V218 HydrophobicContact CB-CB 3.88Å; A100-V218 HydrophobicContact CB-CG2 3.57Å
101	L	98.3	Very high	98.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.9	-26	176.8	-60.7	173.6	0	0	0	112.8	F56 L60 V72 Y92 L98 G99 A103 Y104 H105 V107 Y216	F56-L101 HydrophobicContact CE1-CD2 4.06Å; F56-L101 HydrophobicContact CE2-CD1 4.26Å; F56-L101 HydrophobicContact CZ-CD1 3.66Å; F56-L101 HydrophobicContact CZ-CD2 3.66Å; F56-L101 HydrophobicContact CZ-CG 4.31Å; L60-L101 HydrophobicContact CD2-CD2 4.06Å; V72-L101 HydrophobicContact CG2-CD1 4.08Å; Y92-L101 HydrophobicContact CE1-CD1 3.78Å; Y92-L101 HydrophobicContact CE1-CG 4.39Å; Y92-L101 HydrophobicContact CE2-CD1 4.43Å; L98-L101 HydrophobicContact CD1-CD1 4.07Å; L98-L101 WeakPolarHBondContact O-CB 3.39Å; L98-L101 PolarHBondContact O-N 2.93Å; G99-L101 PolarHBondContact O-N 3.33Å; L101-A103 PolarHBondContact O-N 3.38Å; L101-A103 VanDerWaalsContact O-N 3.15Å; L101-Y104 PolarHBondContact O-N 3.46Å; L101-H105 PolarHBondContact O-N 2.75Å; L101-H105 VanDerWaalsContact O-N 3.14Å; L101-H105 VanDerWaalsContact O-O 3.13Å; L101-V107 HydrophobicContact CB-CB 4.41Å; L101-V107 HydrophobicContact CB-CG1 3.88Å; L101-V107 HydrophobicContact CB-CG2 3.69Å; L101-V107 HydrophobicContact CD1-CG1 4.22Å; L101-V107 HydrophobicContact CD1-CG2 4.15Å; L101-Y216 WeakPolarHBondContact CD2-O 3.38Å
102	S	96.2	Very high	98.2	Very high	72 Å²	72	38 Å²	38	50%	0.503	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.7	-179.8	-58.5	0	0	0	0	112.6	G99 A100 Y104 H105	G99-S102 VanDerWaalsContact O-CB 3.29Å; G99-S102 WeakPolarHBondContact O-CB 3.29Å; G99-S102 PolarHBondContact O-N 2.99Å; G99-S102 VanDerWaalsContact O-N 3.1Å; G99-S102 PolarHBondContact O-OG 3.38Å; A100-S102 PolarHBondContact O-N 3.32Å; S102-Y104 PolarHBondContact O-N 3.15Å; S102-H105 WeakPolarHBondContact CA-O 3.42Å
103	A	97.9	Very high	98.2	Very high	80 Å²	80	38 Å²	38	66%	0.661	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-21.8	171.5	0	0	0	0	0	113	A100 L101 Y216	A100-A103 WeakPolarHBondContact O-CB 3.31Å; A100-A103 PolarHBondContact O-N 3.37Å; L101-A103 PolarHBondContact O-N 3.38Å; L101-A103 VanDerWaalsContact O-N 3.15Å; A103-Y216 HydrophobicContact CB-CD1 4.03Å; A103-Y216 HydrophobicContact CB-CE1 3.87Å
104	Y	98.6	Very high	98.2	Very high	40 Å²	40	33.4 Å²	33.4	16%	0.157	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-52	175.4	-178.4	-106.1	0	0	0	112.5	L60 K64 L101 S102 L213 Y216	L60-Y104 HydrophobicContact CD1-CD1 4.03Å; L60-Y104 HydrophobicContact CD2-CD1 3.77Å; L60-Y104 HydrophobicContact CD2-CE1 4.29Å; L60-Y104 HydrophobicContact CD2-CG 4.44Å; L60-Y104 HydrophobicContact CG-CD1 3.56Å; L60-Y104 HydrophobicContact CG-CE1 3.81Å; K64-Y104 HydrophobicContact CB-CE1 3.88Å; K64-Y104 HydrophobicContact CD-CD1 4.07Å; K64-Y104 HydrophobicContact CD-CD2 4.3Å; K64-Y104 HydrophobicContact CD-CE1 3.52Å; K64-Y104 HydrophobicContact CD-CE2 3.79Å; K64-Y104 HydrophobicContact CD-CG 4.45Å; K64-Y104 HydrophobicContact CG-CE1 4.34Å; K64-Y104 PolarHBondContact NZ-O 3.36Å; L101-Y104 PolarHBondContact O-N 3.46Å; S102-Y104 PolarHBondContact O-N 3.15Å; Y104-L213 HydrophobicContact CD2-CD2 3.72Å; Y104-L213 HydrophobicContact CE1-CD1 4.28Å; Y104-L213 HydrophobicContact CE1-CD2 4.24Å; Y104-L213 HydrophobicContact CE2-CD2 3.26Å; Y104-L213 HydrophobicContact CG-CD2 4.36Å; Y104-Y216 HydrophobicContact CD2-CD2 4.15Å; Y104-Y216 AromaticContact CD2-CE2 3.49Å; Y104-Y216 HydrophobicContact CD2-CE2 3.49Å; Y104-Y216 VanDerWaalsContact CD2-CE2 3.49Å; Y104-Y216 AromaticContact CD2-CZ 3.89Å; Y104-Y216 HydrophobicContact CE2-CE2 4.42Å; Y104-Y216 HydrophobicContact CG-CD2 4.08Å; Y104-Y216 AromaticContact CG-CE2 3.85Å; Y104-Y216 HydrophobicContact CG-CE2 3.85Å
105	H	98.7	Very high	98.2	Very high	15 Å²	15	35 Å²	35	7%	0.069	20%	0.203	C	C	.	.	S	Bend	trans	-159.7	163.8	-176.7	-168.3	51.2	0	0	0	111.1	A63 K64 R68 L101 S102 V107	A63-H105 PolarHBondContact O-NE2 3.06Å; K64-H105 HydrophobicContact CB-CB 3.96Å; K64-H105 HydrophobicContact CD-CB 4.3Å; K64-H105 HydrophobicContact CG-CB 4.24Å; K64-H105 PolarHBondContact N-CD2 3.11Å; R68-H105 PolarHBondContact O-CD2 3.04Å; R68-H105 PolarHBondContact O-NE2 3.33Å; L101-H105 PolarHBondContact O-N 2.75Å; L101-H105 VanDerWaalsContact O-N 3.14Å; L101-H105 VanDerWaalsContact O-O 3.13Å; S102-H105 WeakPolarHBondContact CA-O 3.42Å; H105-V107 PolarHBondContact O-N 3.2Å
106	R	98.6	Very high	98.1	Very high	87 Å²	87	40 Å²	40	33%	0.328	23%	0.225	S	C	.	.			trans	-65	127.7	178.4	-60.5	-176.3	-56.6	-73.6	0.6	110.6	D35 N67 T69 L70	D35-R106 IonicContact OD2-CZ 3.34Å; D35-R106 IonicContact OD2-NE 3.87Å; D35-R106 PolarHBondContact OD2-NE 3.05Å; D35-R106 IonicContact OD2-NH2 3.16Å; D35-R106 PolarHBondContact OD2-NH2 3.04Å; N67-R106 PolarHBondContact O-NH2 3.34Å; N67-R106 PolarHBondContact OD1-NH1 2.7Å; N67-R106 PolarHBondContact OD1-NH2 3.23Å; T69-R106 HydrophobicContact CG2-CB 4.38Å; T69-R106 WeakPolarHBondContact OG1-CB 3.31Å; L70-R106 PolarHBondContact N-O 3.06Å
107	V	98.7	Very high	98.1	Very high	21 Å²	21	40 Å²	40	13%	0.127	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	154.4	177.6	-58.5	0	0	0	0	111	L60 L70 V72 L98 L101 H105	L60-V107 HydrophobicContact CD1-CG1 3.86Å; L70-V107 HydrophobicContact CB-CG1 4.23Å; L70-V107 CarbonylContact O-C 3.4Å; L70-V107 WeakPolarHBondContact O-CA 3.27Å; V72-V107 HydrophobicContact CG2-CB 4.04Å; V72-V107 HydrophobicContact CG2-CG1 4.22Å; L98-V107 HydrophobicContact CD1-CG2 4.2Å; L98-V107 HydrophobicContact CG-CG2 4.09Å; L101-V107 HydrophobicContact CB-CB 4.41Å; L101-V107 HydrophobicContact CB-CG1 3.88Å; L101-V107 HydrophobicContact CB-CG2 3.69Å; L101-V107 HydrophobicContact CD1-CG1 4.22Å; L101-V107 HydrophobicContact CD1-CG2 4.15Å; H105-V107 PolarHBondContact O-N 3.2Å
108	V	98.6	Very high	98.1	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.042	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	156.5	166.1	65.7	0	0	0	0	107.6	L32 Y39 T69 L70 A71 V72 D112 F113	L32-V108 HydrophobicContact CD1-CB 4.48Å; L32-V108 HydrophobicContact CD1-CG2 3.82Å; L32-V108 HydrophobicContact CD2-CG2 3.67Å; L32-V108 HydrophobicContact CG-CG2 4.42Å; Y39-V108 HydrophobicContact CD1-CG1 4.47Å; Y39-V108 HydrophobicContact CE1-CG1 4.29Å; T69-V108 HydrophobicContact CG2-CB 4.38Å; T69-V108 HydrophobicContact CG2-CG1 3.97Å; L70-V108 PolarHBondContact O-N 2.77Å; L70-V108 VanDerWaalsContact O-O 3.11Å; A71-V108 CarbonylContact C-O 3.57Å; A71-V108 WeakPolarHBondContact CA-O 3.22Å; A71-V108 HydrophobicContact CB-CG1 4.23Å; V72-V108 PolarHBondContact N-O 3Å; V108-D112 HydrophobicContact CG2-CB 3.72Å; V108-F113 HydrophobicContact CG1-CB 4.03Å
109	S	98.6	Very high	98.1	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.028	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	148.2	169.5	98.1	0	0	0	0	109.1	E111 D112 F113	S109-E111 WeakPolarHBondContact CB-OE2 3.23Å; S109-E111 PolarHBondContact O-N 3.14Å; S109-E111 PolarHBondContact OG-N 2.99Å; S109-E111 PolarHBondContact OG-OE2 3.01Å; S109-D112 PolarHBondContact O-N 2.69Å; S109-D112 PolarHBondContact OG-N 3.33Å; S109-F113 PolarHBondContact O-N 3.38Å
110	L	98.8	Very high	98.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.3	-35.4	176.9	179.5	59.1	0	0	0	111.2	L41 A71 V72 P73 F113 M114 F156 V160	L41-L110 HydrophobicContact CD2-CD1 3.76Å; L41-L110 HydrophobicContact CG-CD1 3.82Å; A71-L110 HydrophobicContact CB-CB 4.46Å; A71-L110 HydrophobicContact CB-CD1 4Å; V72-L110 PolarHBondContact O-N 3.4Å; P73-L110 HydrophobicContact CB-CD2 4.18Å; L110-F113 HydrophobicContact CD1-CD1 4.4Å; L110-F113 PolarHBondContact O-N 2.89Å; L110-M114 HydrophobicContact CD1-CG 4.08Å; L110-M114 HydrophobicContact CG-CG 4.37Å; L110-M114 WeakPolarHBondContact O-CB 3.49Å; L110-M114 VanDerWaalsContact O-CG 3.26Å; L110-M114 WeakPolarHBondContact O-CG 3.38Å; L110-M114 PolarHBondContact O-N 2.93Å; L110-F156 HydrophobicContact CD2-CE1 4.22Å; L110-F156 HydrophobicContact CD2-CE2 4.43Å; L110-F156 HydrophobicContact CD2-CZ 3.59Å; L110-V160 HydrophobicContact CD2-CG1 3.88Å; L110-V160 HydrophobicContact CD2-CG2 4.46Å; L110-V160 HydrophobicContact CG-CG1 4.16Å
111	E	98.4	Very high	98.1	Very high	39 Å²	39	46.6 Å²	46.6	18%	0.182	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-51.1	175.3	-51.7	85.1	169.3	0	0	111.1	P91 S109 F113 M114 E115	P91-E111 WeakPolarHBondContact CA-OE1 3.47Å; S109-E111 WeakPolarHBondContact CB-OE2 3.23Å; S109-E111 PolarHBondContact O-N 3.14Å; S109-E111 PolarHBondContact OG-N 2.99Å; S109-E111 PolarHBondContact OG-OE2 3.01Å; E111-F113 VanDerWaalsContact C-N 3.31Å; E111-F113 PolarHBondContact O-N 3.48Å; E111-M114 PolarHBondContact O-N 2.83Å; E111-E115 WeakPolarHBondContact O-CB 3.43Å; E111-E115 PolarHBondContact O-N 2.85Å
112	D	98.1	Very high	98.1	Very high	16 Å²	16	46.9 Å²	46.9	9%	0.086	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-39.1	176.6	-85.2	-37.8	0	0	0	111.4	L32 R93 V108 S109 K116	L32-D112 HydrophobicContact CD2-CB 4.36Å; R93-D112 IonicContact CZ-OD2 2.8Å; R93-D112 IonicContact NH1-OD2 2.82Å; R93-D112 PolarHBondContact NH1-OD2 2.99Å; R93-D112 IonicContact NH2-OD2 2.86Å; R93-D112 PolarHBondContact NH2-OD2 3.1Å; V108-D112 HydrophobicContact CG2-CB 3.72Å; S109-D112 PolarHBondContact O-N 2.69Å; S109-D112 PolarHBondContact OG-N 3.33Å; D112-K116 VanDerWaalsContact O-CB 3.31Å; D112-K116 WeakPolarHBondContact O-CB 3.45Å; D112-K116 PolarHBondContact O-N 2.86Å; D112-K116 IonicContact OD1-NZ 2.92Å; D112-K116 PolarHBondContact OD1-NZ 3.31Å
113	F	98.6	Very high	98.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-48.2	174.5	175.6	-88.5	0	0	0	111.5	W34 Y39 L41 A71 V108 S109 L110 E111 L117 A118 W122 V194	W34-F113 HydrophobicContact CZ3-CE2 4.17Å; Y39-F113 AromaticContact CD1-CD2 3.62Å; Y39-F113 HydrophobicContact CD1-CD2 3.62Å; Y39-F113 AromaticContact CD1-CE2 3.59Å; Y39-F113 HydrophobicContact CD1-CE2 3.59Å; Y39-F113 AromaticContact CD2-CE2 3.8Å; Y39-F113 HydrophobicContact CD2-CE2 3.8Å; Y39-F113 AromaticContact CE1-CD2 3.77Å; Y39-F113 HydrophobicContact CE1-CD2 3.77Å; Y39-F113 AromaticContact CE1-CE2 3.91Å; Y39-F113 HydrophobicContact CE1-CE2 3.91Å; Y39-F113 HydrophobicContact CE2-CE2 4.13Å; Y39-F113 HydrophobicContact CG-CD2 4.08Å; Y39-F113 AromaticContact CG-CE2 3.54Å; Y39-F113 HydrophobicContact CG-CE2 3.54Å; Y39-F113 HydrophobicContact CG-CZ 4.45Å; L41-F113 HydrophobicContact CD1-CD1 4.5Å; L41-F113 HydrophobicContact CD1-CE1 4.24Å; L41-F113 HydrophobicContact CD1-CE2 4.49Å; L41-F113 HydrophobicContact CD1-CZ 4.24Å; L41-F113 HydrophobicContact CD2-CD1 4.05Å; L41-F113 HydrophobicContact CD2-CE1 3.73Å; L41-F113 HydrophobicContact CD2-CZ 4.42Å; A71-F113 HydrophobicContact CB-CB 4.37Å; A71-F113 HydrophobicContact CB-CG 4.47Å; V108-F113 HydrophobicContact CG1-CB 4.03Å; S109-F113 PolarHBondContact O-N 3.38Å; L110-F113 HydrophobicContact CD1-CD1 4.4Å; L110-F113 PolarHBondContact O-N 2.89Å; E111-F113 VanDerWaalsContact C-N 3.31Å; E111-F113 PolarHBondContact O-N 3.48Å; F113-L117 HydrophobicContact CD2-CB 4.16Å; F113-L117 HydrophobicContact CD2-CD1 3.77Å; F113-L117 HydrophobicContact CE2-CB 4.32Å; F113-L117 HydrophobicContact CE2-CD1 4.29Å; F113-L117 WeakPolarHBondContact O-CA 3.48Å; F113-L117 WeakPolarHBondContact O-CB 3.1Å; F113-L117 PolarHBondContact O-N 3.3Å; F113-A118 HydrophobicContact CD1-CB 4.4Å; F113-A118 HydrophobicContact CE1-CB 4.11Å; F113-A118 PolarHBondContact O-N 3.04Å; F113-W122 HydrophobicContact CE1-CD2 4.46Å; F113-W122 AromaticContact CE1-CE3 3.9Å; F113-W122 HydrophobicContact CE1-CE3 3.9Å; F113-W122 HydrophobicContact CE1-CZ3 4.5Å; F113-W122 HydrophobicContact CZ-CB 4.4Å; F113-V194 HydrophobicContact CZ-CG1 4.26Å; F113-V194 HydrophobicContact CZ-CG2 3.96Å
114	M	98.4	Very high	98.1	Very high	24 Å²	24	45.6 Å²	45.6	12%	0.118	22%	0.222	C	C	.	.	H	α-helix	trans	-68.9	-35.1	-177.8	-70.9	-53.7	-57.7	0	0	112.9	L110 E111 A118 P119 W122 V160 V162	L110-M114 HydrophobicContact CD1-CG 4.08Å; L110-M114 HydrophobicContact CG-CG 4.37Å; L110-M114 WeakPolarHBondContact O-CB 3.49Å; L110-M114 VanDerWaalsContact O-CG 3.26Å; L110-M114 WeakPolarHBondContact O-CG 3.38Å; L110-M114 PolarHBondContact O-N 2.93Å; E111-M114 PolarHBondContact O-N 2.83Å; M114-A118 HydrophobicContact CE-CB 3.9Å; M114-A118 HydrophobicContact SD-CB 3.88Å; M114-P119 WeakPolarHBondContact O-CD 3.48Å; M114-W122 HydrophobicContact CE-CE3 4.36Å; M114-W122 HydrophobicContact CE-CZ3 4.12Å; M114-W122 HydrophobicContact SD-CE3 3.98Å; M114-W122 HydrophobicContact SD-CZ3 3.72Å; M114-V160 WeakPolarHBondContact CE-O 3.46Å; M114-V160 HydrophobicContact CG-CB 4.23Å; M114-V162 HydrophobicContact CE-CG2 3.46Å; M114-V162 VanDerWaalsContact CE-CG2 3.46Å; M114-V162 HydrophobicContact SD-CG2 3.99Å
115	E	97.6	Very high	98	Very high	135 Å²	135	46.3 Å²	46.3	63%	0.631	24%	0.242	S	C	*	.	H	α-helix	trans	-76	-46	179.1	-174.4	-173.9	176.4	0	0	112	E111	E111-E115 WeakPolarHBondContact O-CB 3.43Å; E111-E115 PolarHBondContact O-N 2.85Å
116	K	97.8	Very high	97.8	Very high	113 Å²	113	51.6 Å²	51.6	49%	0.491	27%	0.267	S	S	.	.	H	α-helix	trans	-104.7	-25.8	-164.8	-62.4	167.2	-178.9	161.1	0	114.3	L32 D112	L32-K116 HydrophobicContact CB-CD 4.4Å; L32-K116 HydrophobicContact CD2-CB 4.1Å; L32-K116 HydrophobicContact CD2-CD 4.37Å; D112-K116 VanDerWaalsContact O-CB 3.31Å; D112-K116 WeakPolarHBondContact O-CB 3.45Å; D112-K116 PolarHBondContact O-N 2.86Å; D112-K116 IonicContact OD1-NZ 2.92Å; D112-K116 PolarHBondContact OD1-NZ 3.31Å
117	L	98.2	Very high	97.8	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-46.1	-175.7	-62.1	175.9	0	0	0	112.7	L32 W34 Y39 F113 P119 K120 Y121	L32-L117 HydrophobicContact CD2-CD1 3.61Å; L32-L117 HydrophobicContact CD2-CD2 4.27Å; L32-L117 HydrophobicContact CD2-CG 3.64Å; L32-L117 HydrophobicContact CG-CD1 3.9Å; L32-L117 HydrophobicContact CG-CD2 4.15Å; L32-L117 HydrophobicContact CG-CG 4.03Å; W34-L117 HydrophobicContact CE3-CB 4.48Å; Y39-L117 HydrophobicContact CE1-CD1 3.91Å; Y39-L117 VanDerWaalsContact OH-CD1 3.26Å; Y39-L117 WeakPolarHBondContact OH-CD1 3.33Å; F113-L117 HydrophobicContact CD2-CB 4.16Å; F113-L117 HydrophobicContact CD2-CD1 3.77Å; F113-L117 HydrophobicContact CE2-CB 4.32Å; F113-L117 HydrophobicContact CE2-CD1 4.29Å; F113-L117 WeakPolarHBondContact O-CA 3.48Å; F113-L117 WeakPolarHBondContact O-CB 3.1Å; F113-L117 PolarHBondContact O-N 3.3Å; L117-P119 VanDerWaalsContact C-CD 3.41Å; L117-K120 PolarHBondContact O-N 3.15Å; L117-Y121 HydrophobicContact CB-CD2 4.46Å; L117-Y121 HydrophobicContact CD2-CD2 4.3Å; L117-Y121 HydrophobicContact CD2-CE2 4.29Å; L117-Y121 WeakPolarHBondContact O-CD2 3.41Å; L117-Y121 PolarHBondContact O-N 3.06Å
118	A	98.2	Very high	97.8	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-57.4	-38.4	-173.6	0	0	0	0	0	114.6	F113 M114 K120 W122	F113-A118 HydrophobicContact CD1-CB 4.4Å; F113-A118 HydrophobicContact CE1-CB 4.11Å; F113-A118 PolarHBondContact O-N 3.04Å; M114-A118 HydrophobicContact CE-CB 3.9Å; M114-A118 HydrophobicContact SD-CB 3.88Å; A118-K120 PolarHBondContact O-N 3.39Å; A118-K120 VanDerWaalsContact O-N 3.16Å; A118-W122 HydrophobicContact CB-CB 4.29Å; A118-W122 HydrophobicContact CB-CE3 4.25Å; A118-W122 CarbonylContact O-C 3.53Å; A118-W122 WeakPolarHBondContact O-CA 3.4Å; A118-W122 PolarHBondContact O-N 3.24Å
119	P	97.5	Very high	97.8	Very high	89 Å²	89	49.9 Å²	49.9	58%	0.578	26%	0.259	S	S	*	.	H	α-helix	trans	-59.7	-31.8	-178.7	-26.2	36.5	0	0	0	113.5	M114 L117	M114-P119 WeakPolarHBondContact O-CD 3.48Å; L117-P119 VanDerWaalsContact C-CD 3.41Å
120	K	97.5	Very high	97.8	Very high	149 Å²	149	49.9 Å²	49.9	65%	0.648	26%	0.258	S	S	*	.	H	α-helix	trans	-94.9	-43.7	-179.8	-176.3	176.7	175.6	-167.1	0	113	L117 A118	L117-K120 PolarHBondContact O-N 3.15Å; A118-K120 PolarHBondContact O-N 3.39Å; A118-K120 VanDerWaalsContact O-N 3.16Å
121	Y	97.8	Very high	97.8	Very high	84 Å²	84	50 Å²	50	33%	0.329	26%	0.259	S	S	.	.	H	α-helix	trans	-108.8	-12.3	-167.5	-57	-74.2	0	0	0	114.4	W34 L117	W34-Y121 HydrophobicContact CB-CD2 4.13Å; W34-Y121 HydrophobicContact CB-CE1 4.23Å; W34-Y121 HydrophobicContact CB-CE2 3.79Å; W34-Y121 HydrophobicContact CB-CG 4.49Å; W34-Y121 AromaticContact CD2-CD1 4Å; W34-Y121 HydrophobicContact CD2-CD1 4Å; W34-Y121 HydrophobicContact CD2-CD2 4Å; W34-Y121 AromaticContact CD2-CG 3.71Å; W34-Y121 HydrophobicContact CD2-CG 3.71Å; W34-Y121 HydrophobicContact CE3-CD1 4.29Å; W34-Y121 AromaticContact CE3-CD2 3.62Å; W34-Y121 HydrophobicContact CE3-CD2 3.62Å; W34-Y121 HydrophobicContact CE3-CE2 4.45Å; W34-Y121 AromaticContact CE3-CG 3.53Å; W34-Y121 HydrophobicContact CE3-CG 3.53Å; W34-Y121 HydrophobicContact CG-CD1 4.1Å; W34-Y121 HydrophobicContact CG-CD2 4.24Å; W34-Y121 HydrophobicContact CG-CE1 4.17Å; W34-Y121 HydrophobicContact CG-CE2 4.3Å; W34-Y121 HydrophobicContact CG-CG 4.14Å; W34-Y121 HydrophobicContact CZ3-CD2 4.36Å; W34-Y121 HydrophobicContact CZ3-CG 4.01Å; L117-Y121 HydrophobicContact CB-CD2 4.46Å; L117-Y121 HydrophobicContact CD2-CD2 4.3Å; L117-Y121 HydrophobicContact CD2-CE2 4.29Å; L117-Y121 WeakPolarHBondContact O-CD2 3.41Å; L117-Y121 PolarHBondContact O-N 3.06Å
122	W	97.9	Very high	97.8	Very high	7 Å²	7	51.3 Å²	51.3	3%	0.027	26%	0.264	C	S	.	.	S	Bend	trans	-142.3	55.8	177	-164.5	59.4	0	0	0	111.9	L41 F113 M114 A118 R127 V162 F164 V194 A196	L41-W122 HydrophobicContact CD2-CH2 4.22Å; L41-W122 HydrophobicContact CD2-CZ3 4.08Å; F113-W122 HydrophobicContact CE1-CD2 4.46Å; F113-W122 AromaticContact CE1-CE3 3.9Å; F113-W122 HydrophobicContact CE1-CE3 3.9Å; F113-W122 HydrophobicContact CE1-CZ3 4.5Å; F113-W122 HydrophobicContact CZ-CB 4.4Å; M114-W122 HydrophobicContact CE-CE3 4.36Å; M114-W122 HydrophobicContact CE-CZ3 4.12Å; M114-W122 HydrophobicContact SD-CE3 3.98Å; M114-W122 HydrophobicContact SD-CZ3 3.72Å; A118-W122 HydrophobicContact CB-CB 4.29Å; A118-W122 HydrophobicContact CB-CE3 4.25Å; A118-W122 CarbonylContact O-C 3.53Å; A118-W122 WeakPolarHBondContact O-CA 3.4Å; A118-W122 PolarHBondContact O-N 3.24Å; W122-R127 HydrophobicContact CD2-CG 3.87Å; W122-R127 HydrophobicContact CE3-CG 4.23Å; W122-R127 HydrophobicContact CG-CG 4.39Å; W122-R127 HydrophobicContact CH2-CB 4.23Å; W122-R127 HydrophobicContact CH2-CG 4.17Å; W122-R127 HydrophobicContact CZ2-CB 3.64Å; W122-R127 HydrophobicContact CZ2-CG 3.79Å; W122-R127 HydrophobicContact CZ3-CG 4.37Å; W122-R127 PolarHBondContact O-NE 3.31Å; W122-R127 VanDerWaalsContact O-NE 3.14Å; W122-V162 HydrophobicContact CH2-CG1 3.8Å; W122-V162 HydrophobicContact CH2-CG2 4.18Å; W122-V162 HydrophobicContact CZ3-CG1 4.25Å; W122-V162 HydrophobicContact CZ3-CG2 3.83Å; W122-F164 HydrophobicContact CH2-CE1 4.1Å; W122-F164 HydrophobicContact CZ2-CE1 4.15Å; W122-V194 HydrophobicContact CB-CG2 4.17Å; W122-V194 HydrophobicContact CD2-CG1 4.14Å; W122-V194 HydrophobicContact CD2-CG2 4.44Å; W122-V194 HydrophobicContact CG-CB 4.26Å; W122-V194 HydrophobicContact CG-CG1 4.36Å; W122-V194 HydrophobicContact CG-CG2 3.83Å; W122-V194 HydrophobicContact CZ2-CG1 4.22Å; W122-A196 HydrophobicContact CH2-CB 4.41Å; W122-A196 HydrophobicContact CZ2-CB 4.13Å
123	P	97.4	Very high	97.8	Very high	29 Å²	29	54.9 Å²	54.9	19%	0.188	28%	0.28	C	S	.	.			trans	-70.5	159.7	-174.9	32	-37.1	0	0	0	111.7	Q126 R127	P123-Q126 HydrophobicContact CG-CG 4.28Å; P123-Q126 PolarHBondContact O-N 3.35Å; P123-R127 WeakPolarHBondContact O-CG 3.26Å
124	P	97.1	Very high	97.8	Very high	95 Å²	95	58.9 Å²	58.9	62%	0.617	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	145.6	166.5	-23.3	33.8	0	0	0	111.8	Q126	P124-Q126 VanDerWaalsContact C-N 3.35Å
125	G	95.5	Very high	97.7	Very high	55 Å²	55	58.9 Å²	58.9	57%	0.567	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	-10.4	-171.9	0	0	0	0	0	114.2	D165	G125-D165 VanDerWaalsContact C-CG 3.45Å; G125-D165 VanDerWaalsContact CA-OD1 3.23Å; G125-D165 WeakPolarHBondContact CA-OD1 3.45Å; G125-D165 VanDerWaalsContact CA-OD2 3.26Å; G125-D165 WeakPolarHBondContact CA-OD2 3.26Å; G125-D165 PolarHBondContact N-OD1 2.93Å; G125-D165 VanDerWaalsContact N-OD1 3.1Å; G125-D165 PolarHBondContact N-OD2 3.4Å
126	Q	95	Very high	97.7	Very high	127 Å²	127	52.4 Å²	52.4	59%	0.593	28%	0.278	S	S	*	.			trans	-128.1	4.6	-179	-57.2	-176.3	11.4	0	0	113.5	P123 P124 K128 D165	P123-Q126 HydrophobicContact CG-CG 4.28Å; P123-Q126 PolarHBondContact O-N 3.35Å; P124-Q126 VanDerWaalsContact C-N 3.35Å; Q126-K128 PolarHBondContact O-N 3.34Å; Q126-K128 VanDerWaalsContact O-N 3.14Å; Q126-D165 PolarHBondContact N-OD2 2.95Å
127	R	98.2	Very high	97.7	Very high	20 Å²	20	52.8 Å²	52.8	8%	0.075	28%	0.282	C	S	.	.			trans	-83.1	96.8	-170.7	-61.1	-175.9	173.8	170	-5.9	110.9	W122 P123 G161 E163 F164 D165	W122-R127 HydrophobicContact CD2-CG 3.87Å; W122-R127 HydrophobicContact CE3-CG 4.23Å; W122-R127 HydrophobicContact CG-CG 4.39Å; W122-R127 HydrophobicContact CH2-CB 4.23Å; W122-R127 HydrophobicContact CH2-CG 4.17Å; W122-R127 HydrophobicContact CZ2-CB 3.64Å; W122-R127 HydrophobicContact CZ2-CG 3.79Å; W122-R127 HydrophobicContact CZ3-CG 4.37Å; W122-R127 PolarHBondContact O-NE 3.31Å; W122-R127 VanDerWaalsContact O-NE 3.14Å; P123-R127 WeakPolarHBondContact O-CG 3.26Å; R127-G161 PolarHBondContact NH1-O 3.47Å; R127-E163 WeakPolarHBondContact CB-O 3.34Å; R127-E163 WeakPolarHBondContact CD-O 3.43Å; R127-F164 HydrophobicContact CB-CD1 4.44Å; R127-F164 CarbonylContact O-C 3.45Å; R127-F164 WeakPolarHBondContact O-CA 3.38Å; R127-D165 WeakPolarHBondContact CB-OD2 3.25Å; R127-D165 PolarHBondContact N-OD2 2.92Å; R127-D165 PolarHBondContact O-N 3.2Å
128	K	98.6	Very high	97.5	Very high	59 Å²	59	62.7 Å²	62.7	26%	0.257	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129	177.1	-63.7	173.9	-175.6	173.9	0	111.7	Q126 Y130 Q166 I168	Q126-K128 PolarHBondContact O-N 3.34Å; Q126-K128 VanDerWaalsContact O-N 3.14Å; K128-Y130 HydrophobicContact CB-CE2 3.7Å; K128-Y130 WeakPolarHBondContact O-CD2 3.35Å; K128-Y130 WeakPolarHBondContact O-CE2 3.49Å; K128-Q166 CarbonylContact C-O 3.56Å; K128-Q166 WeakPolarHBondContact CA-O 3.5Å; K128-Q166 HydrophobicContact CG-CB 4.3Å; K128-I168 HydrophobicContact CB-CG1 4.05Å; K128-I168 HydrophobicContact CD-CD1 4.23Å; K128-I168 HydrophobicContact CD-CG1 4.12Å; K128-I168 HydrophobicContact CG-CG1 4.3Å
129	A	98.7	Very high	97.4	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	140.5	167.7	0	0	0	0	0	110.6	C145 M147 F164 Q166 S167 I168	A129-C145 HydrophobicContact CB-CB 3.79Å; A129-M147 HydrophobicContact CB-CE 4.24Å; A129-M147 HydrophobicContact CB-CG 3.4Å; A129-M147 HydrophobicContact CB-SD 3.76Å; A129-F164 HydrophobicContact CB-CB 4.06Å; A129-F164 HydrophobicContact CB-CD1 3.75Å; A129-F164 HydrophobicContact CB-CE1 4.38Å; A129-F164 HydrophobicContact CB-CG 3.91Å; A129-Q166 PolarHBondContact N-O 2.84Å; A129-S167 CarbonylContact O-C 3.52Å; A129-I168 PolarHBondContact O-N 2.84Å
130	Y	98.9	Very high	97.2	Very high	3 Å²	3	64.4 Å²	64.4	1%	0.012	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.8	-179.7	-62.2	-103.3	0	0	0	109.5	K128 I168 F187 H192 V194 L195 A196 L197 P198	K128-Y130 HydrophobicContact CB-CE2 3.7Å; K128-Y130 WeakPolarHBondContact O-CD2 3.35Å; K128-Y130 WeakPolarHBondContact O-CE2 3.49Å; Y130-I168 WeakPolarHBondContact CA-O 3.48Å; Y130-I168 HydrophobicContact CD1-CB 3.66Å; Y130-I168 HydrophobicContact CD1-CG1 4.26Å; Y130-I168 HydrophobicContact CD1-CG2 3.74Å; Y130-I168 HydrophobicContact CE1-CB 3.79Å; Y130-I168 HydrophobicContact CE1-CG1 3.92Å; Y130-I168 HydrophobicContact CE1-CG2 3.77Å; Y130-I168 HydrophobicContact CG-CB 4.26Å; Y130-F187 HydrophobicContact CD1-CD1 4.29Å; Y130-F187 HydrophobicContact CD1-CE1 4.11Å; Y130-F187 HydrophobicContact CD1-CZ 4.42Å; Y130-F187 AromaticContact CE1-CD1 3.99Å; Y130-F187 HydrophobicContact CE1-CD1 3.99Å; Y130-F187 HydrophobicContact CE1-CE1 4.14Å; Y130-H192 HydrophobicContact CE1-CB 4.46Å; Y130-H192 AromaticContact CE1-ND1 3.38Å; Y130-H192 WeakPolarHBondContact CE1-ND1 3.5Å; Y130-H192 AromaticContact CZ-ND1 3.52Å; Y130-H192 WeakPolarHBondContact OH-CB 3.47Å; Y130-H192 PolarHBondContact OH-ND1 2.74Å; Y130-V194 WeakPolarHBondContact CE2-O 3.44Å; Y130-V194 PolarHBondContact OH-O 3.48Å; Y130-L195 HydrophobicContact CD1-CD2 3.87Å; Y130-L195 HydrophobicContact CD2-CD2 4.33Å; Y130-L195 HydrophobicContact CE1-CD2 3.5Å; Y130-L195 HydrophobicContact CE2-CD2 4.02Å; Y130-L195 HydrophobicContact CG-CD2 4.26Å; Y130-A196 PolarHBondContact N-O 3.2Å; Y130-L197 WeakPolarHBondContact O-CD2 3.22Å; Y130-P198 WeakPolarHBondContact O-CD 3.49Å
131	C	98.8	Very high	97.2	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.014	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	165.3	179.4	67.1	0	0	0	0	112.9	A135 C145 I168 L169 F170 P198	C131-A135 HydrophobicContact CB-CB 4.37Å; C131-C145 HydrophobicContact CB-CB 3.74Å; C131-C145 WeakPolarHBondContact CB-SG 3.25Å; C131-C145 PolarHBondContact N-SG 3.21Å; C131-C145 WeakPolarHBondContact SG-CA 3.28Å; C131-C145 WeakPolarHBondContact SG-CB 3.38Å; C131-C145 CovalentContact SG-SG 2.04Å; C131-C145 PolarHBondContact SG-SG 3.14Å; C131-I168 PolarHBondContact N-O 3.26Å; C131-L169 WeakPolarHBondContact O-CA 3.45Å; C131-L169 VanDerWaalsContact SG-CD2 3.57Å; C131-F170 VanDerWaalsContact C-CE1 3.42Å; C131-F170 VanDerWaalsContact N-CE1 3.32Å; C131-F170 VanDerWaalsContact O-CD1 3.3Å; C131-F170 WeakPolarHBondContact O-CD1 3.37Å; C131-F170 WeakPolarHBondContact O-CE1 3.38Å; C131-F170 PolarHBondContact O-N 2.86Å; C131-P198 HydrophobicContact CB-CG 4.06Å
132	F	98.6	Very high	97.1	Very high	67 Å²	67	64.2 Å²	64.2	29%	0.294	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	143	170.9	-76.3	-72.5	0	0	0	111.4	T134 A135 A136 F170 I173 F175	F132-T134 PolarHBondContact O-N 3.43Å; F132-A135 HydrophobicContact CB-CB 4.44Å; F132-A135 WeakPolarHBondContact O-CA 3.32Å; F132-A135 WeakPolarHBondContact O-CB 3.34Å; F132-A135 PolarHBondContact O-N 3.21Å; F132-A136 PolarHBondContact O-N 3.5Å; F132-A136 VanDerWaalsContact O-N 3.13Å; F132-F170 CarbonylContact C-O 3.54Å; F132-F170 WeakPolarHBondContact CA-O 3.39Å; F132-F170 AromaticContact CD1-CD2 3.62Å; F132-F170 HydrophobicContact CD1-CD2 3.62Å; F132-F170 AromaticContact CD1-CE2 3.51Å; F132-F170 HydrophobicContact CD1-CE2 3.51Å; F132-F170 AromaticContact CD2-CE2 3.86Å; F132-F170 HydrophobicContact CD2-CE2 3.86Å; F132-F170 HydrophobicContact CD2-CZ 4.37Å; F132-F170 AromaticContact CE1-CD2 3.67Å; F132-F170 HydrophobicContact CE1-CD2 3.67Å; F132-F170 AromaticContact CE1-CE2 3.45Å; F132-F170 HydrophobicContact CE1-CE2 3.45Å; F132-F170 VanDerWaalsContact CE1-CE2 3.45Å; F132-F170 AromaticContact CE2-CE2 3.8Å; F132-F170 HydrophobicContact CE2-CE2 3.8Å; F132-F170 HydrophobicContact CE2-CZ 4.46Å; F132-F170 HydrophobicContact CG-CD2 4.2Å; F132-F170 AromaticContact CG-CE2 3.73Å; F132-F170 HydrophobicContact CG-CE2 3.73Å; F132-F170 HydrophobicContact CG-CZ 4.44Å; F132-F170 HydrophobicContact CZ-CD2 4.27Å; F132-F170 AromaticContact CZ-CE2 3.61Å; F132-F170 HydrophobicContact CZ-CE2 3.61Å; F132-I173 VanDerWaalsContact CE1-O 3.27Å; F132-I173 WeakPolarHBondContact CE1-O 3.47Å; F132-F175 AromaticContact CE2-CE2 3.78Å; F132-F175 HydrophobicContact CE2-CE2 3.78Å; F132-F175 AromaticContact CE2-CZ 3.67Å; F132-F175 HydrophobicContact CE2-CZ 3.67Å; F132-F175 HydrophobicContact CZ-CE2 4.26Å; F132-F175 HydrophobicContact CZ-CZ 4.12Å
133	E	98.2	Very high	97.1	Very high	91 Å²	91	71.1 Å²	71.1	43%	0.425	38%	0.375	S	S	.	.	H	α-helix	trans	-52.2	-39.5	173.2	-72.7	166.3	-161.6	0	0	111.8	A135 A136 Q137 L169 F170	E133-A135 VanDerWaalsContact C-N 3.29Å; E133-A135 PolarHBondContact O-N 2.87Å; E133-A136 PolarHBondContact O-N 2.93Å; E133-Q137 VanDerWaalsContact O-CG 3.26Å; E133-Q137 WeakPolarHBondContact O-CG 3.44Å; E133-Q137 PolarHBondContact O-N 3.26Å; E133-L169 HydrophobicContact CG-CB 3.85Å; E133-F170 PolarHBondContact N-O 3.37Å
134	T	97.3	Very high	97.1	Very high	84 Å²	84	72.8 Å²	72.8	52%	0.515	38%	0.384	S	S	.	.	H	α-helix	trans	-67.5	-25.1	177.5	53.6	0	0	0	0	113.9	F132	F132-T134 PolarHBondContact O-N 3.43Å
135	A	97.4	Very high	97.2	Very high	24 Å²	24	68.5 Å²	68.5	20%	0.198	36%	0.357	C	S	.	.	H	α-helix	trans	-76.3	-46	173	0	0	0	0	0	110.2	C131 F132 E133 Q137 R138 P146	C131-A135 HydrophobicContact CB-CB 4.37Å; F132-A135 HydrophobicContact CB-CB 4.44Å; F132-A135 WeakPolarHBondContact O-CA 3.32Å; F132-A135 WeakPolarHBondContact O-CB 3.34Å; F132-A135 PolarHBondContact O-N 3.21Å; E133-A135 VanDerWaalsContact C-N 3.29Å; E133-A135 PolarHBondContact O-N 2.87Å; A135-Q137 VanDerWaalsContact C-N 3.28Å; A135-Q137 PolarHBondContact O-N 3.15Å; A135-R138 WeakPolarHBondContact O-CB 3.41Å; A135-R138 PolarHBondContact O-N 3.38Å; A135-R138 VanDerWaalsContact O-N 3.09Å; A135-P146 HydrophobicContact CB-CG 4.22Å
136	A	97.7	Very high	97.3	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-63	-33.7	175.9	0	0	0	0	0	112.6	F132 E133 R138 S139 K142 K143 T144 L169	F132-A136 PolarHBondContact O-N 3.5Å; F132-A136 VanDerWaalsContact O-N 3.13Å; E133-A136 PolarHBondContact O-N 2.93Å; A136-R138 PolarHBondContact O-N 2.87Å; A136-S139 WeakPolarHBondContact O-CB 3.2Å; A136-S139 PolarHBondContact O-N 3.14Å; A136-S139 PolarHBondContact O-OG 2.73Å; A136-K142 CarbonylContact O-C 3.13Å; A136-K142 VanDerWaalsContact O-CA 3.23Å; A136-K142 WeakPolarHBondContact O-CA 3.34Å; A136-K143 PolarHBondContact O-N 2.9Å; A136-T144 WeakPolarHBondContact CA-O 2.94Å; A136-L169 HydrophobicContact CB-CD1 3.97Å; A136-L169 HydrophobicContact CB-CD2 3.43Å; A136-L169 VanDerWaalsContact CB-CD2 3.43Å; A136-L169 HydrophobicContact CB-CG 4.35Å
137	Q	97.3	Very high	97.5	Very high	120 Å²	120	61.2 Å²	61.2	56%	0.561	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.7	174.6	-77.6	171	1.1	0	0	114.3	E133 A135	E133-Q137 VanDerWaalsContact O-CG 3.26Å; E133-Q137 WeakPolarHBondContact O-CG 3.44Å; E133-Q137 PolarHBondContact O-N 3.26Å; A135-Q137 VanDerWaalsContact C-N 3.28Å; A135-Q137 PolarHBondContact O-N 3.15Å
138	R	94.6	Very high	97.5	Very high	211 Å²	211	62.4 Å²	62.4	80%	0.796	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-11.9	177	-60.8	174	-173.1	-179.3	-0.5	113.2	A135 A136	A135-R138 WeakPolarHBondContact O-CB 3.41Å; A135-R138 PolarHBondContact O-N 3.38Å; A135-R138 VanDerWaalsContact O-N 3.09Å; A136-R138 PolarHBondContact O-N 2.87Å
139	S	95.5	Very high	97.4	Very high	12 Å²	12	64 Å²	64	8%	0.084	33%	0.327	C	S	.	.	S	Bend	trans	-70.3	161.3	173.7	71.6	0	0	0	0	110.6	A136 D141 K142 K143 T144	A136-S139 WeakPolarHBondContact O-CB 3.2Å; A136-S139 PolarHBondContact O-N 3.14Å; A136-S139 PolarHBondContact O-OG 2.73Å; S139-D141 PolarHBondContact O-N 2.91Å; S139-D141 PolarHBondContact OG-OD1 3.4Å; S139-K142 PolarHBondContact O-N 2.93Å; S139-K142 PolarHBondContact OG-N 3.17Å; S139-K142 VanDerWaalsContact OG-N 3.11Å; S139-K143 PolarHBondContact OG-N 2.02Å; S139-T144 VanDerWaalsContact CB-O 3.27Å; S139-T144 WeakPolarHBondContact CB-O 3.36Å; S139-T144 PolarHBondContact OG-N 3.07Å; S139-T144 PolarHBondContact OG-O 2.99Å
140	A	93.9	Very high	97.3	Very high	114 Å²	114	66.6 Å²	66.6	94%	0.942	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-35.5	179.7	0	0	0	0	0	113.1
141	D	96.4	Very high	97.2	Very high	79 Å²	79	70.6 Å²	70.6	42%	0.422	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-2.4	179.4	72.7	-18.5	0	0	0	114	S139 K143 T144	S139-D141 PolarHBondContact O-N 2.91Å; S139-D141 PolarHBondContact OG-OD1 3.4Å; D141-K143 PolarHBondContact O-N 3.01Å; D141-K143 VanDerWaalsContact O-N 3.15Å; D141-K143 PolarHBondContact OD1-N 3.35Å; D141-K143 VanDerWaalsContact OD1-N 3.1Å; D141-T144 VanDerWaalsContact OD1-CB 3.3Å; D141-T144 WeakPolarHBondContact OD1-CB 3.22Å; D141-T144 PolarHBondContact OD1-N 2.82Å; D141-T144 PolarHBondContact OD1-OG1 2.87Å; D141-T144 WeakPolarHBondContact OD2-CB 2.91Å; D141-T144 PolarHBondContact OD2-N 3.26Å; D141-T144 PolarHBondContact OD2-OG1 3.41Å
142	K	96.9	Very high	97.1	Very high	150 Å²	150	70.8 Å²	70.8	65%	0.652	38%	0.377	S	S	*	.	S	Bend	trans	58.9	15.9	-177.2	-52.8	-178.4	179.9	179.6	0	115.2	A136 S139	A136-K142 CarbonylContact O-C 3.13Å; A136-K142 VanDerWaalsContact O-CA 3.23Å; A136-K142 WeakPolarHBondContact O-CA 3.34Å; S139-K142 PolarHBondContact O-N 2.93Å; S139-K142 PolarHBondContact OG-N 3.17Å; S139-K142 VanDerWaalsContact OG-N 3.11Å
143	K	97.4	Very high	97.1	Very high	152 Å²	152	70.5 Å²	70.5	66%	0.661	38%	0.375	S	S	*	.	S	Bend	trans	-134.7	-21.8	-172.6	-67.7	177.6	-176.4	178.1	0	113.2	A136 S139 D141	A136-K143 PolarHBondContact O-N 2.9Å; S139-K143 PolarHBondContact OG-N 2.02Å; D141-K143 PolarHBondContact O-N 3.01Å; D141-K143 VanDerWaalsContact O-N 3.15Å; D141-K143 PolarHBondContact OD1-N 3.35Å; D141-K143 VanDerWaalsContact OD1-N 3.1Å
144	T	98.2	Very high	97.1	Very high	63 Å²	63	66.4 Å²	66.4	39%	0.387	36%	0.358	S	S	.	.	S	Bend	trans	-90.8	135.4	-177	-67.7	0	0	0	0	111.7	A136 S139 D141 S167	A136-T144 WeakPolarHBondContact CA-O 2.94Å; S139-T144 VanDerWaalsContact CB-O 3.27Å; S139-T144 WeakPolarHBondContact CB-O 3.36Å; S139-T144 PolarHBondContact OG-N 3.07Å; S139-T144 PolarHBondContact OG-O 2.99Å; D141-T144 VanDerWaalsContact OD1-CB 3.3Å; D141-T144 WeakPolarHBondContact OD1-CB 3.22Å; D141-T144 PolarHBondContact OD1-N 2.82Å; D141-T144 PolarHBondContact OD1-OG1 2.87Å; D141-T144 WeakPolarHBondContact OD2-CB 2.91Å; D141-T144 PolarHBondContact OD2-N 3.26Å; D141-T144 PolarHBondContact OD2-OG1 3.41Å; T144-S167 WeakPolarHBondContact CA-OG 3.4Å
145	C	98.6	Very high	97.1	Very high	6 Å²	6	64.7 Å²	64.7	4%	0.041	35%	0.348	C	S	.	.			trans	-64.9	126.7	172.1	-71.1	0	0	0	0	110.2	A129 C131 M147 S167	A129-C145 HydrophobicContact CB-CB 3.79Å; C131-C145 HydrophobicContact CB-CB 3.74Å; C131-C145 WeakPolarHBondContact CB-SG 3.25Å; C131-C145 PolarHBondContact N-SG 3.21Å; C131-C145 WeakPolarHBondContact SG-CA 3.28Å; C131-C145 WeakPolarHBondContact SG-CB 3.38Å; C131-C145 CovalentContact SG-SG 2.04Å; C131-C145 PolarHBondContact SG-SG 3.14Å; C145-M147 HydrophobicContact CB-CG 4Å; C145-M147 HydrophobicContact CB-SD 4.21Å; C145-M147 PolarHBondContact O-N 3.46Å; C145-S167 PolarHBondContact N-OG 2.98Å
146	P	97.9	Very high	97.2	Very high	24 Å²	24	63.6 Å²	63.6	16%	0.156	34%	0.339	C	S	.	.			trans	-78.7	56.6	-177.2	33.7	-37.4	0	0	0	111.1	A135 K148 D149	A135-P146 HydrophobicContact CB-CG 4.22Å; P146-K148 PolarHBondContact O-N 3.01Å; P146-D149 HydrophobicContact CB-CB 3.85Å; P146-D149 VanDerWaalsContact CB-OD2 3.23Å; P146-D149 WeakPolarHBondContact CB-OD2 3.36Å
147	M	98.3	Very high	97.2	Very high	5 Å²	5	63.6 Å²	63.6	3%	0.025	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-30	-174	-63.2	-62.6	-75	0	0	112.3	A129 C145 F153 W157 F164 A196 P198	A129-M147 HydrophobicContact CB-CE 4.24Å; A129-M147 HydrophobicContact CB-CG 3.4Å; A129-M147 HydrophobicContact CB-SD 3.76Å; C145-M147 HydrophobicContact CB-CG 4Å; C145-M147 HydrophobicContact CB-SD 4.21Å; C145-M147 PolarHBondContact O-N 3.46Å; M147-F153 WeakPolarHBondContact O-CB 3.29Å; M147-W157 HydrophobicContact CE-CH2 4.43Å; M147-W157 HydrophobicContact CE-CZ2 3.63Å; M147-W157 PolarHBondContact O-NE1 2.8Å; M147-F164 HydrophobicContact CB-CD2 3.51Å; M147-F164 HydrophobicContact CB-CE2 3.48Å; M147-F164 VanDerWaalsContact CB-CE2 3.48Å; M147-F164 HydrophobicContact CB-CG 4.39Å; M147-F164 HydrophobicContact CB-CZ 4.33Å; M147-F164 HydrophobicContact CE-CD1 4.42Å; M147-F164 HydrophobicContact CE-CD2 4.41Å; M147-F164 HydrophobicContact CE-CE1 3.7Å; M147-F164 HydrophobicContact CE-CE2 3.68Å; M147-F164 HydrophobicContact CE-CZ 3.27Å; M147-F164 HydrophobicContact CG-CD2 3.69Å; M147-F164 HydrophobicContact CG-CE2 3.78Å; M147-F164 HydrophobicContact CG-CG 4.08Å; M147-F164 HydrophobicContact CG-CZ 4.26Å; M147-A196 HydrophobicContact CE-CB 4.48Å; M147-P198 HydrophobicContact SD-CB 3.57Å; M147-P198 VanDerWaalsContact SD-CB 3.57Å; M147-P198 VanDerWaalsContact SD-CD 3.56Å; M147-P198 HydrophobicContact SD-CG 4.04Å
148	K	98.1	Very high	97.3	Very high	44 Å²	44	62.1 Å²	62.1	19%	0.191	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	10.7	-172.7	-63.8	-175.6	66	166.4	0	113.1	P146 G150 G154 W157 D158 V162 E163	P146-K148 PolarHBondContact O-N 3.01Å; K148-G150 PolarHBondContact O-N 2.82Å; K148-G150 VanDerWaalsContact O-N 3.16Å; K148-G154 VanDerWaalsContact O-CA 3.31Å; K148-G154 WeakPolarHBondContact O-CA 3.24Å; K148-G154 PolarHBondContact O-N 2.81Å; K148-W157 HydrophobicContact CD-CB 4.13Å; K148-W157 HydrophobicContact CG-CB 4Å; K148-W157 HydrophobicContact CG-CG 4.33Å; K148-D158 WeakPolarHBondContact CE-OD1 3.34Å; K148-D158 IonicContact NZ-OD1 3.1Å; K148-D158 PolarHBondContact NZ-OD1 2.94Å; K148-V162 PolarHBondContact NZ-O 3.4Å; K148-E163 IonicContact NZ-OE1 2.61Å; K148-E163 PolarHBondContact NZ-OE1 3Å; K148-E163 IonicContact NZ-OE2 3.72Å; K148-E163 PolarHBondContact NZ-OE2 2.88Å; K148-E163 VanDerWaalsContact NZ-OE2 3.1Å
149	D	97	Very high	97.3	Very high	93 Å²	93	57.1 Å²	57.1	50%	0.497	32%	0.317	S	S	.	.	S	Bend	trans	-78.9	104.7	-174.4	-69.8	9.6	0	0	0	110.7	P146 F153	P146-D149 HydrophobicContact CB-CB 3.85Å; P146-D149 VanDerWaalsContact CB-OD2 3.23Å; P146-D149 WeakPolarHBondContact CB-OD2 3.36Å; D149-F153 VanDerWaalsContact O-CD2 3.3Å; D149-F153 WeakPolarHBondContact O-CD2 3.2Å
150	G	96.3	Very high	97.3	Very high	54 Å²	54	57.4 Å²	57.4	56%	0.557	32%	0.318	S	S	*	.	S	Bend	trans	82.1	-164.8	176.4	0	0	0	0	0	114.5	K148 F153 G154	K148-G150 PolarHBondContact O-N 2.82Å; K148-G150 VanDerWaalsContact O-N 3.16Å; G150-F153 PolarHBondContact O-N 3.07Å; G150-G154 PolarHBondContact O-N 2.82Å
151	N	96.1	Very high	97.5	Very high	88 Å²	88	54.4 Å²	54.4	47%	0.471	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	132	-179.5	-175.4	-43.7	0	0	0	109.5	N87	N87-N151 PolarHBondContact ND2-ND2 3.04Å; N87-N151 PolarHBondContact ND2-OD1 2.95Å; N87-N151 PolarHBondContact OD1-ND2 2.79Å
152	P	97.6	Very high	97.5	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.032	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	cis	-93.8	2.8	10.3	38.6	-38.9	0	0	0	115.5	C45 I76 Y78 N87 F156	C45-P152 HydrophobicContact CB-CG 3.89Å; I76-P152 HydrophobicContact CD1-CB 3.89Å; I76-P152 HydrophobicContact CD1-CG 4.04Å; I76-P152 HydrophobicContact CG2-CB 4.15Å; Y78-P152 HydrophobicContact CE1-CB 4.34Å; Y78-P152 VanDerWaalsContact OH-CG 3.29Å; Y78-P152 WeakPolarHBondContact OH-CG 3.38Å; N87-P152 WeakPolarHBondContact ND2-CB 3.5Å; P152-F156 WeakPolarHBondContact O-CB 3.48Å; P152-F156 PolarHBondContact O-N 2.99Å; P152-F156 VanDerWaalsContact O-N 3.08Å
153	F	98.3	Very high	97.6	Very high	61 Å²	61	49 Å²	49	27%	0.268	27%	0.273	S	S	.	.	H	α-helix	trans	-51.6	-60	-172.6	-62.7	-83	0	0	0	114.3	C45 M147 D149 G150 F156 W157 P198	C45-F153 HydrophobicContact CB-CD1 3.83Å; C45-F153 HydrophobicContact CB-CE1 3.49Å; C45-F153 VanDerWaalsContact CB-CE1 3.49Å; C45-F153 HydrophobicContact CB-CG 4.47Å; C45-F153 HydrophobicContact CB-CZ 3.87Å; C45-F153 WeakPolarHBondContact SG-CD1 3.24Å; M147-F153 WeakPolarHBondContact O-CB 3.29Å; D149-F153 VanDerWaalsContact O-CD2 3.3Å; D149-F153 WeakPolarHBondContact O-CD2 3.2Å; G150-F153 PolarHBondContact O-N 3.07Å; F153-F156 PolarHBondContact O-N 3.19Å; F153-W157 VanDerWaalsContact O-CD1 3.26Å; F153-W157 PolarHBondContact O-N 2.72Å; F153-P198 WeakPolarHBondContact CE1-O 3.42Å
154	G	98.1	Very high	97.6	Very high	6 Å²	6	43.7 Å²	43.7	6%	0.062	25%	0.25	C	C	.	.	H	α-helix	trans	-59.5	-59.5	-179.1	0	0	0	0	0	112.6	K148 G150 F156 W157 D158	K148-G154 VanDerWaalsContact O-CA 3.31Å; K148-G154 WeakPolarHBondContact O-CA 3.24Å; K148-G154 PolarHBondContact O-N 2.81Å; G150-G154 PolarHBondContact O-N 2.82Å; G154-F156 PolarHBondContact O-N 3.22Å; G154-F156 VanDerWaalsContact O-N 3.08Å; G154-W157 PolarHBondContact O-N 3.05Å; G154-W157 VanDerWaalsContact O-N 3.12Å; G154-D158 VanDerWaalsContact O-CG 3.25Å; G154-D158 PolarHBondContact O-N 3.25Å
155	P	98.1	Very high	97.6	Very high	48 Å²	48	44.6 Å²	44.6	31%	0.312	25%	0.253	S	S	.	.	H	α-helix	trans	-54.6	-32.1	-178.9	-29.3	35.9	0	0	0	114.8	H89 Y159	H89-P155 PolarHBondContact CE1-O 2.91Å; H89-P155 VanDerWaalsContact CE1-O 3.3Å; P155-Y159 WeakPolarHBondContact O-CB 3.39Å; P155-Y159 PolarHBondContact O-N 3.24Å
156	F	98.6	Very high	97.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-66.6	-50.9	177.3	172.6	-93.6	0	0	0	112.2	C43 P44 P73 P74 I76 H89 L110 P152 F153 G154 D158 Y159 V160	C43-F156 HydrophobicContact CB-CD1 3.48Å; C43-F156 VanDerWaalsContact CB-CD1 3.48Å; C43-F156 HydrophobicContact CB-CE1 3.59Å; C43-F156 HydrophobicContact CB-CG 4.02Å; C43-F156 HydrophobicContact CB-CZ 4.2Å; C43-F156 VanDerWaalsContact SG-CD1 3.56Å; C43-F156 WeakPolarHBondContact SG-CG 3.39Å; P44-F156 HydrophobicContact CG-CE2 4.34Å; P73-F156 HydrophobicContact CB-CE2 3.89Å; P73-F156 HydrophobicContact CB-CZ 3.75Å; P74-F156 HydrophobicContact CG-CE2 3.94Å; I76-F156 HydrophobicContact CD1-CB 4.45Å; I76-F156 HydrophobicContact CD1-CD2 4.05Å; I76-F156 HydrophobicContact CG1-CD2 4.24Å; H89-F156 WeakPolarHBondContact NE2-CA 3.38Å; L110-F156 HydrophobicContact CD2-CE1 4.22Å; L110-F156 HydrophobicContact CD2-CE2 4.43Å; L110-F156 HydrophobicContact CD2-CZ 3.59Å; P152-F156 WeakPolarHBondContact O-CB 3.48Å; P152-F156 PolarHBondContact O-N 2.99Å; P152-F156 VanDerWaalsContact O-N 3.08Å; F153-F156 PolarHBondContact O-N 3.19Å; G154-F156 PolarHBondContact O-N 3.22Å; G154-F156 VanDerWaalsContact O-N 3.08Å; F156-D158 VanDerWaalsContact C-N 3.33Å; F156-Y159 WeakPolarHBondContact O-CB 3.36Å; F156-Y159 PolarHBondContact O-N 3.17Å; F156-V160 PolarHBondContact O-N 3.25Å
157	W	98.4	Very high	97.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-72.6	-29.7	179.8	-66.7	110.4	0	0	0	112.3	L41 C43 M147 K148 F153 G154 V160 G161 V162 F164 A196	L41-W157 HydrophobicContact CB-CH2 4.38Å; C43-W157 HydrophobicContact CB-CZ2 4.38Å; M147-W157 HydrophobicContact CE-CH2 4.43Å; M147-W157 HydrophobicContact CE-CZ2 3.63Å; M147-W157 PolarHBondContact O-NE1 2.8Å; K148-W157 HydrophobicContact CD-CB 4.13Å; K148-W157 HydrophobicContact CG-CB 4Å; K148-W157 HydrophobicContact CG-CG 4.33Å; F153-W157 VanDerWaalsContact O-CD1 3.26Å; F153-W157 PolarHBondContact O-N 2.72Å; G154-W157 PolarHBondContact O-N 3.05Å; G154-W157 VanDerWaalsContact O-N 3.12Å; W157-V160 HydrophobicContact CE3-CG2 3.82Å; W157-V160 HydrophobicContact CZ3-CG2 4.43Å; W157-V160 WeakPolarHBondContact O-CG2 2.96Å; W157-V160 PolarHBondContact O-N 3.25Å; W157-G161 PolarHBondContact O-N 2.79Å; W157-G161 VanDerWaalsContact O-N 3.11Å; W157-V162 HydrophobicContact CB-CB 4.32Å; W157-V162 HydrophobicContact CE3-CB 3.86Å; W157-V162 HydrophobicContact CE3-CG1 3.92Å; W157-V162 HydrophobicContact CE3-CG2 4.11Å; W157-V162 HydrophobicContact CZ3-CG1 4.49Å; W157-V162 PolarHBondContact O-N 2.84Å; W157-F164 HydrophobicContact CB-CE2 4.4Å; W157-F164 AromaticContact CD2-CE2 3.7Å; W157-F164 HydrophobicContact CD2-CE2 3.7Å; W157-F164 AromaticContact CD2-CZ 3.65Å; W157-F164 HydrophobicContact CD2-CZ 3.65Å; W157-F164 AromaticContact CE2-CE2 3.91Å; W157-F164 AromaticContact CE2-CZ 3.72Å; W157-F164 HydrophobicContact CE3-CE2 4.16Å; W157-F164 AromaticContact CE3-CZ 3.76Å; W157-F164 HydrophobicContact CE3-CZ 3.76Å; W157-F164 AromaticContact CG-CE2 3.8Å; W157-F164 HydrophobicContact CG-CE2 3.8Å; W157-F164 HydrophobicContact CG-CZ 4.27Å; W157-F164 AromaticContact CH2-CZ 3.98Å; W157-F164 HydrophobicContact CH2-CZ 3.98Å; W157-F164 AromaticContact CZ2-CZ 3.89Å; W157-F164 HydrophobicContact CZ2-CZ 3.89Å; W157-F164 AromaticContact CZ3-CZ 3.92Å; W157-F164 HydrophobicContact CZ3-CZ 3.92Å; W157-A196 HydrophobicContact CH2-CB 4.39Å
158	D	98.1	Very high	97.6	Very high	90 Å²	90	50.7 Å²	50.7	48%	0.481	28%	0.282	S	S	.	.	H	α-helix	trans	-61.3	-44.6	170.2	-68.7	-29.4	0	0	0	111.3	K148 G154 F156 V160 G161	K148-D158 WeakPolarHBondContact CE-OD1 3.34Å; K148-D158 IonicContact NZ-OD1 3.1Å; K148-D158 PolarHBondContact NZ-OD1 2.94Å; G154-D158 VanDerWaalsContact O-CG 3.25Å; G154-D158 PolarHBondContact O-N 3.25Å; F156-D158 VanDerWaalsContact C-N 3.33Å; D158-V160 VanDerWaalsContact C-N 3.26Å; D158-V160 PolarHBondContact O-N 2.79Å; D158-G161 PolarHBondContact O-N 3.27Å
159	Y	96.5	Very high	97.6	Very high	105 Å²	105	51.3 Å²	51.3	41%	0.412	29%	0.287	S	S	.	.	H	α-helix	trans	-58	-37.6	178.5	168.3	-100	0	0	0	112.6	P74 H89 P155 F156	P74-Y159 HydrophobicContact CB-CE1 4.43Å; P74-Y159 HydrophobicContact CG-CD1 4.2Å; P74-Y159 HydrophobicContact CG-CE1 3.87Å; H89-Y159 HydrophobicContact CB-CD1 3.62Å; H89-Y159 HydrophobicContact CB-CD2 3.95Å; H89-Y159 HydrophobicContact CB-CE1 3.6Å; H89-Y159 HydrophobicContact CB-CE2 3.9Å; H89-Y159 HydrophobicContact CB-CG 3.82Å; H89-Y159 AromaticContact CG-CD1 3.72Å; H89-Y159 AromaticContact CG-CG 3.63Å; H89-Y159 WeakPolarHBondContact ND1-CB 3.43Å; H89-Y159 AromaticContact ND1-CD1 3.96Å; H89-Y159 AromaticContact ND1-CD2 3.65Å; H89-Y159 AromaticContact ND1-CG 3.37Å; P155-Y159 WeakPolarHBondContact O-CB 3.39Å; P155-Y159 PolarHBondContact O-N 3.24Å; F156-Y159 WeakPolarHBondContact O-CB 3.36Å; F156-Y159 PolarHBondContact O-N 3.17Å
160	V	95.3	Very high	97.7	Very high	18 Å²	18	47 Å²	47	11%	0.109	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	6.3	177.3	-61.8	0	0	0	0	114	L110 M114 F156 W157 D158 V162	L110-V160 HydrophobicContact CD2-CG1 3.88Å; L110-V160 HydrophobicContact CD2-CG2 4.46Å; L110-V160 HydrophobicContact CG-CG1 4.16Å; M114-V160 WeakPolarHBondContact CE-O 3.46Å; M114-V160 HydrophobicContact CG-CB 4.23Å; F156-V160 PolarHBondContact O-N 3.25Å; W157-V160 HydrophobicContact CE3-CG2 3.82Å; W157-V160 HydrophobicContact CZ3-CG2 4.43Å; W157-V160 WeakPolarHBondContact O-CG2 2.96Å; W157-V160 PolarHBondContact O-N 3.25Å; D158-V160 VanDerWaalsContact C-N 3.26Å; D158-V160 PolarHBondContact O-N 2.79Å; V160-V162 HydrophobicContact CG2-CB 4.28Å; V160-V162 HydrophobicContact CG2-CG2 3.8Å
161	G	96.6	Very high	97.7	Very high	51 Å²	51	45.7 Å²	45.7	53%	0.526	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	40.2	175.4	0	0	0	0	0	114.4	R127 W157 D158	R127-G161 PolarHBondContact NH1-O 3.47Å; W157-G161 PolarHBondContact O-N 2.79Å; W157-G161 VanDerWaalsContact O-N 3.11Å; D158-G161 PolarHBondContact O-N 3.27Å
162	V	97.9	Very high	97.6	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	27%	0.268	C	S	.	.			trans	-112.8	123	-176.2	176.8	0	0	0	0	112.7	M114 W122 K148 W157 V160 F164	M114-V162 HydrophobicContact CE-CG2 3.46Å; M114-V162 VanDerWaalsContact CE-CG2 3.46Å; M114-V162 HydrophobicContact SD-CG2 3.99Å; W122-V162 HydrophobicContact CH2-CG1 3.8Å; W122-V162 HydrophobicContact CH2-CG2 4.18Å; W122-V162 HydrophobicContact CZ3-CG1 4.25Å; W122-V162 HydrophobicContact CZ3-CG2 3.83Å; K148-V162 PolarHBondContact NZ-O 3.4Å; W157-V162 HydrophobicContact CB-CB 4.32Å; W157-V162 HydrophobicContact CE3-CB 3.86Å; W157-V162 HydrophobicContact CE3-CG1 3.92Å; W157-V162 HydrophobicContact CE3-CG2 4.11Å; W157-V162 HydrophobicContact CZ3-CG1 4.49Å; W157-V162 PolarHBondContact O-N 2.84Å; V160-V162 HydrophobicContact CG2-CB 4.28Å; V160-V162 HydrophobicContact CG2-CG2 3.8Å; V162-F164 HydrophobicContact CG1-CD1 4.31Å; V162-F164 HydrophobicContact CG1-CD2 4.13Å; V162-F164 HydrophobicContact CG1-CE1 3.85Å; V162-F164 HydrophobicContact CG1-CE2 3.65Å; V162-F164 HydrophobicContact CG1-CG 4.44Å; V162-F164 HydrophobicContact CG1-CZ 3.49Å; V162-F164 VanDerWaalsContact CG1-CZ 3.49Å
163	E	97.5	Very high	97.6	Very high	114 Å²	114	46 Å²	46	53%	0.533	27%	0.271	S	S	.	.			trans	-108	151.5	155.6	-62.7	-56.1	154.1	0	0	109.7	R127 K148	R127-E163 WeakPolarHBondContact CB-O 3.34Å; R127-E163 WeakPolarHBondContact CD-O 3.43Å; K148-E163 IonicContact NZ-OE1 2.61Å; K148-E163 PolarHBondContact NZ-OE1 3Å; K148-E163 IonicContact NZ-OE2 3.72Å; K148-E163 PolarHBondContact NZ-OE2 2.88Å; K148-E163 VanDerWaalsContact NZ-OE2 3.1Å
164	F	98.2	Very high	97.5	Very high	40 Å²	40	45.1 Å²	45.1	18%	0.175	27%	0.273	C	S	.	.			trans	-110.1	129.4	178.9	-65.2	-81.3	0	0	0	110.7	W122 R127 A129 M147 W157 V162 A196	W122-F164 HydrophobicContact CH2-CE1 4.1Å; W122-F164 HydrophobicContact CZ2-CE1 4.15Å; R127-F164 HydrophobicContact CB-CD1 4.44Å; R127-F164 CarbonylContact O-C 3.45Å; R127-F164 WeakPolarHBondContact O-CA 3.38Å; A129-F164 HydrophobicContact CB-CB 4.06Å; A129-F164 HydrophobicContact CB-CD1 3.75Å; A129-F164 HydrophobicContact CB-CE1 4.38Å; A129-F164 HydrophobicContact CB-CG 3.91Å; M147-F164 HydrophobicContact CB-CD2 3.51Å; M147-F164 HydrophobicContact CB-CE2 3.48Å; M147-F164 VanDerWaalsContact CB-CE2 3.48Å; M147-F164 HydrophobicContact CB-CG 4.39Å; M147-F164 HydrophobicContact CB-CZ 4.33Å; M147-F164 HydrophobicContact CE-CD1 4.42Å; M147-F164 HydrophobicContact CE-CD2 4.41Å; M147-F164 HydrophobicContact CE-CE1 3.7Å; M147-F164 HydrophobicContact CE-CE2 3.68Å; M147-F164 HydrophobicContact CE-CZ 3.27Å; M147-F164 HydrophobicContact CG-CD2 3.69Å; M147-F164 HydrophobicContact CG-CE2 3.78Å; M147-F164 HydrophobicContact CG-CG 4.08Å; M147-F164 HydrophobicContact CG-CZ 4.26Å; W157-F164 HydrophobicContact CB-CE2 4.4Å; W157-F164 AromaticContact CD2-CE2 3.7Å; W157-F164 HydrophobicContact CD2-CE2 3.7Å; W157-F164 AromaticContact CD2-CZ 3.65Å; W157-F164 HydrophobicContact CD2-CZ 3.65Å; W157-F164 AromaticContact CE2-CE2 3.91Å; W157-F164 AromaticContact CE2-CZ 3.72Å; W157-F164 HydrophobicContact CE3-CE2 4.16Å; W157-F164 AromaticContact CE3-CZ 3.76Å; W157-F164 HydrophobicContact CE3-CZ 3.76Å; W157-F164 AromaticContact CG-CE2 3.8Å; W157-F164 HydrophobicContact CG-CE2 3.8Å; W157-F164 HydrophobicContact CG-CZ 4.27Å; W157-F164 AromaticContact CH2-CZ 3.98Å; W157-F164 HydrophobicContact CH2-CZ 3.98Å; W157-F164 AromaticContact CZ2-CZ 3.89Å; W157-F164 HydrophobicContact CZ2-CZ 3.89Å; W157-F164 AromaticContact CZ3-CZ 3.92Å; W157-F164 HydrophobicContact CZ3-CZ 3.92Å; V162-F164 HydrophobicContact CG1-CD1 4.31Å; V162-F164 HydrophobicContact CG1-CD2 4.13Å; V162-F164 HydrophobicContact CG1-CE1 3.85Å; V162-F164 HydrophobicContact CG1-CE2 3.65Å; V162-F164 HydrophobicContact CG1-CG 4.44Å; V162-F164 HydrophobicContact CG1-CZ 3.49Å; V162-F164 VanDerWaalsContact CG1-CZ 3.49Å; F164-A196 HydrophobicContact CE1-CB 3.75Å; F164-A196 HydrophobicContact CZ-CB 4.36Å
165	D	97.9	Very high	97.5	Very high	83 Å²	83	47.4 Å²	47.4	44%	0.444	28%	0.281	S	S	.	.			trans	-92.1	-25.5	-174.1	-54.6	-76.6	0	0	0	112.5	G125 Q126 R127	G125-D165 VanDerWaalsContact C-CG 3.45Å; G125-D165 VanDerWaalsContact CA-OD1 3.23Å; G125-D165 WeakPolarHBondContact CA-OD1 3.45Å; G125-D165 VanDerWaalsContact CA-OD2 3.26Å; G125-D165 WeakPolarHBondContact CA-OD2 3.26Å; G125-D165 PolarHBondContact N-OD1 2.93Å; G125-D165 VanDerWaalsContact N-OD1 3.1Å; G125-D165 PolarHBondContact N-OD2 3.4Å; Q126-D165 PolarHBondContact N-OD2 2.95Å; R127-D165 WeakPolarHBondContact CB-OD2 3.25Å; R127-D165 PolarHBondContact N-OD2 2.92Å; R127-D165 PolarHBondContact O-N 3.2Å
166	Q	97.4	Very high	97.3	Very high	103 Å²	103	46.9 Å²	46.9	48%	0.481	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	147.3	-175.3	-174.5	-179.5	11.7	0	0	111.6	K128 A129 I168	K128-Q166 CarbonylContact C-O 3.56Å; K128-Q166 WeakPolarHBondContact CA-O 3.5Å; K128-Q166 HydrophobicContact CG-CB 4.3Å; A129-Q166 PolarHBondContact N-O 2.84Å; Q166-I168 HydrophobicContact CG-CD1 4.25Å
167	S	98.6	Very high	97.1	Very high	31 Å²	31	49.6 Å²	49.6	22%	0.217	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	133.9	171	-64.2	0	0	0	0	112.1	A129 T144 C145	A129-S167 CarbonylContact O-C 3.52Å; T144-S167 WeakPolarHBondContact CA-OG 3.4Å; C145-S167 PolarHBondContact N-OG 2.98Å
168	I	98.6	Very high	97	Very high	29 Å²	29	58.2 Å²	58.2	15%	0.149	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	111.3	175.3	-54.3	-61.1	0	0	0	108	K128 A129 Y130 C131 Q166 F187	K128-I168 HydrophobicContact CB-CG1 4.05Å; K128-I168 HydrophobicContact CD-CD1 4.23Å; K128-I168 HydrophobicContact CD-CG1 4.12Å; K128-I168 HydrophobicContact CG-CG1 4.3Å; A129-I168 PolarHBondContact O-N 2.84Å; Y130-I168 WeakPolarHBondContact CA-O 3.48Å; Y130-I168 HydrophobicContact CD1-CB 3.66Å; Y130-I168 HydrophobicContact CD1-CG1 4.26Å; Y130-I168 HydrophobicContact CD1-CG2 3.74Å; Y130-I168 HydrophobicContact CE1-CB 3.79Å; Y130-I168 HydrophobicContact CE1-CG1 3.92Å; Y130-I168 HydrophobicContact CE1-CG2 3.77Å; Y130-I168 HydrophobicContact CG-CB 4.26Å; C131-I168 PolarHBondContact N-O 3.26Å; Q166-I168 HydrophobicContact CG-CD1 4.25Å; I168-F187 HydrophobicContact CG2-CD1 4.47Å; I168-F187 HydrophobicContact CG2-CE1 3.58Å; I168-F187 HydrophobicContact CG2-CZ 4.25Å
169	L	98.6	Very high	97	Very high	57 Å²	57	55.5 Å²	55.5	30%	0.298	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	144	-173.3	-50.9	-173.4	0	0	0	112	C131 E133 A136 K186	C131-L169 WeakPolarHBondContact O-CA 3.45Å; C131-L169 VanDerWaalsContact SG-CD2 3.57Å; E133-L169 HydrophobicContact CG-CB 3.85Å; A136-L169 HydrophobicContact CB-CD1 3.97Å; A136-L169 HydrophobicContact CB-CD2 3.43Å; A136-L169 VanDerWaalsContact CB-CD2 3.43Å; A136-L169 HydrophobicContact CB-CG 4.35Å; L169-K186 PolarHBondContact O-NZ 2.84Å
170	F	98.2	Very high	97.1	Very high	1 Å²	1	54.1 Å²	54.1	0%	0.004	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	153.5	171.2	56.3	-94	0	0	0	113.7	C131 F132 E133 I173 F175 W183 F187 L197	C131-F170 VanDerWaalsContact C-CE1 3.42Å; C131-F170 VanDerWaalsContact N-CE1 3.32Å; C131-F170 VanDerWaalsContact O-CD1 3.3Å; C131-F170 WeakPolarHBondContact O-CD1 3.37Å; C131-F170 WeakPolarHBondContact O-CE1 3.38Å; C131-F170 PolarHBondContact O-N 2.86Å; F132-F170 CarbonylContact C-O 3.54Å; F132-F170 WeakPolarHBondContact CA-O 3.39Å; F132-F170 AromaticContact CD1-CD2 3.62Å; F132-F170 HydrophobicContact CD1-CD2 3.62Å; F132-F170 AromaticContact CD1-CE2 3.51Å; F132-F170 HydrophobicContact CD1-CE2 3.51Å; F132-F170 AromaticContact CD2-CE2 3.86Å; F132-F170 HydrophobicContact CD2-CE2 3.86Å; F132-F170 HydrophobicContact CD2-CZ 4.37Å; F132-F170 AromaticContact CE1-CD2 3.67Å; F132-F170 HydrophobicContact CE1-CD2 3.67Å; F132-F170 AromaticContact CE1-CE2 3.45Å; F132-F170 HydrophobicContact CE1-CE2 3.45Å; F132-F170 VanDerWaalsContact CE1-CE2 3.45Å; F132-F170 AromaticContact CE2-CE2 3.8Å; F132-F170 HydrophobicContact CE2-CE2 3.8Å; F132-F170 HydrophobicContact CE2-CZ 4.46Å; F132-F170 HydrophobicContact CG-CD2 4.2Å; F132-F170 AromaticContact CG-CE2 3.73Å; F132-F170 HydrophobicContact CG-CE2 3.73Å; F132-F170 HydrophobicContact CG-CZ 4.44Å; F132-F170 HydrophobicContact CZ-CD2 4.27Å; F132-F170 AromaticContact CZ-CE2 3.61Å; F132-F170 HydrophobicContact CZ-CE2 3.61Å; E133-F170 PolarHBondContact N-O 3.37Å; F170-I173 HydrophobicContact CB-CD1 4.14Å; F170-I173 HydrophobicContact CD2-CD1 3.98Å; F170-I173 HydrophobicContact CD2-CG1 3.94Å; F170-I173 HydrophobicContact CG-CD1 4.23Å; F170-F175 HydrophobicContact CE2-CE1 4.45Å; F170-F175 HydrophobicContact CZ-CE1 4.38Å; F170-F175 HydrophobicContact CZ-CZ 4.43Å; F170-W183 HydrophobicContact CD1-CH2 4.32Å; F170-W183 HydrophobicContact CD2-CH2 4.12Å; F170-W183 HydrophobicContact CD2-CZ2 4.46Å; F170-W183 AromaticContact CE1-CH2 3.97Å; F170-W183 HydrophobicContact CE1-CH2 3.97Å; F170-W183 AromaticContact CE2-CH2 3.76Å; F170-W183 HydrophobicContact CE2-CH2 3.76Å; F170-W183 HydrophobicContact CE2-CZ2 4.12Å; F170-W183 HydrophobicContact CG-CH2 4.4Å; F170-W183 AromaticContact CZ-CH2 3.69Å; F170-W183 HydrophobicContact CZ-CH2 3.69Å; F170-W183 HydrophobicContact CZ-CZ2 4.44Å; F170-F187 HydrophobicContact CB-CE2 4.26Å; F170-F187 HydrophobicContact CB-CZ 3.99Å; F170-F187 HydrophobicContact CD1-CE2 4.2Å; F170-F187 HydrophobicContact CD1-CZ 4.02Å; F170-F187 HydrophobicContact CG-CE2 4.38Å; F170-F187 HydrophobicContact CG-CZ 4.34Å; F170-L197 HydrophobicContact CE1-CD2 4.14Å; F170-L197 HydrophobicContact CZ-CD2 4.08Å
171	G	96.3	Very high	97.2	Very high	27 Å²	27	57.2 Å²	57.2	28%	0.278	34%	0.337	S	S	.	.			trans	-149.5	168.8	175.1	0	0	0	0	0	109.7	I173	G171-I173 PolarHBondContact O-N 3.14Å
172	G	95	Very high	97.3	Very high	81 Å²	81	58.3 Å²	58.3	84%	0.835	33%	0.328	S	S	*	.	S	Bend	trans	67.9	13.2	176.5	0	0	0	0	0	115.6
173	I	96.8	Very high	97.3	Very high	19 Å²	19	58.4 Å²	58.4	10%	0.097	33%	0.328	C	S	.	.			trans	-131.9	154.7	174.9	62.2	179.8	0	0	0	109.5	F132 F170 G171 H179 Q182 W183 F187	F132-I173 VanDerWaalsContact CE1-O 3.27Å; F132-I173 WeakPolarHBondContact CE1-O 3.47Å; F170-I173 HydrophobicContact CB-CD1 4.14Å; F170-I173 HydrophobicContact CD2-CD1 3.98Å; F170-I173 HydrophobicContact CD2-CG1 3.94Å; F170-I173 HydrophobicContact CG-CD1 4.23Å; G171-I173 PolarHBondContact O-N 3.14Å; I173-H179 HydrophobicContact CB-CB 4.39Å; I173-Q182 HydrophobicContact CG2-CB 3.8Å; I173-Q182 HydrophobicContact CG2-CG 4.34Å; I173-W183 HydrophobicContact CD1-CD2 3.95Å; I173-W183 HydrophobicContact CD1-CE3 4.32Å; I173-W183 HydrophobicContact CD1-CH2 3.92Å; I173-W183 HydrophobicContact CD1-CZ2 3.55Å; I173-W183 HydrophobicContact CD1-CZ3 4.3Å; I173-W183 HydrophobicContact CG1-CZ2 4.03Å; I173-F187 HydrophobicContact CD1-CE2 4.32Å
174	S	96.9	Very high	97.4	Very high	43 Å²	43	57 Å²	57	30%	0.301	32%	0.324	S	S	.	.			trans	-123.1	174.4	171.4	72.8	0	0	0	0	110.3	S176 H179 W183	S174-S176 PolarHBondContact O-N 3.18Å; S174-S176 PolarHBondContact OG-N 3.29Å; S174-S176 PolarHBondContact OG-OG 3.4Å; S174-S176 VanDerWaalsContact OG-OG 3.04Å; S174-H179 PolarHBondContact N-ND1 2.87Å; S174-H179 VanDerWaalsContact N-ND1 3.12Å; S174-H179 WeakPolarHBondContact O-CB 3.31Å; S174-H179 PolarHBondContact OG-CE1 2.73Å; S174-H179 PolarHBondContact OG-ND1 3.27Å; S174-W183 PolarHBondContact O-NE1 2.81Å
175	F	97.8	Very high	97.3	Very high	53 Å²	53	63.8 Å²	63.8	23%	0.232	35%	0.353	C	S	.	.	S	Bend	trans	-82	13.6	177.6	-52.7	-59.5	0	0	0	114	F62 F132 F170 W183 P201	F62-F175 HydrophobicContact CD2-CB 4Å; F62-F175 HydrophobicContact CD2-CD1 4.35Å; F62-F175 HydrophobicContact CE2-CB 4.1Å; F62-F175 AromaticContact CE2-CD1 3.76Å; F62-F175 HydrophobicContact CE2-CD1 3.76Å; F62-F175 HydrophobicContact CE2-CG 4.42Å; F62-F175 AromaticContact CZ-CD1 3.94Å; F62-F175 HydrophobicContact CZ-CD1 3.94Å; F132-F175 AromaticContact CE2-CE2 3.78Å; F132-F175 HydrophobicContact CE2-CE2 3.78Å; F132-F175 AromaticContact CE2-CZ 3.67Å; F132-F175 HydrophobicContact CE2-CZ 3.67Å; F132-F175 HydrophobicContact CZ-CE2 4.26Å; F132-F175 HydrophobicContact CZ-CZ 4.12Å; F170-F175 HydrophobicContact CE2-CE1 4.45Å; F170-F175 HydrophobicContact CZ-CE1 4.38Å; F170-F175 HydrophobicContact CZ-CZ 4.43Å; F175-W183 HydrophobicContact CD1-CH2 4.22Å; F175-W183 AromaticContact CD1-CZ2 3.54Å; F175-W183 HydrophobicContact CD1-CZ2 3.54Å; F175-W183 AromaticContact CE1-CH2 3.77Å; F175-W183 HydrophobicContact CE1-CH2 3.77Å; F175-W183 AromaticContact CE1-CZ2 3.49Å; F175-W183 HydrophobicContact CE1-CZ2 3.49Å; F175-W183 VanDerWaalsContact CE1-CZ2 3.49Å; F175-P201 HydrophobicContact CB-CB 4.25Å; F175-P201 WeakPolarHBondContact CB-O 3.18Å; F175-P201 HydrophobicContact CD1-CB 3.45Å; F175-P201 VanDerWaalsContact CD1-CB 3.45Å; F175-P201 HydrophobicContact CD2-CB 4.16Å; F175-P201 HydrophobicContact CE1-CB 3.7Å; F175-P201 HydrophobicContact CE2-CB 4.37Å; F175-P201 HydrophobicContact CG-CB 3.7Å; F175-P201 HydrophobicContact CZ-CB 4.16Å
176	S	95	Very high	97.4	Very high	38 Å²	38	64 Å²	64	27%	0.266	35%	0.35	S	S	.	.	S	Bend	trans	-81.9	156.9	178.6	68.3	0	0	0	0	112.6	S174 Y178 H179	S174-S176 PolarHBondContact O-N 3.18Å; S174-S176 PolarHBondContact OG-N 3.29Å; S174-S176 PolarHBondContact OG-OG 3.4Å; S174-S176 VanDerWaalsContact OG-OG 3.04Å; S176-Y178 PolarHBondContact O-N 2.49Å; S176-Y178 VanDerWaalsContact O-N 3.11Å; S176-H179 PolarHBondContact O-N 2.94Å
177	A	94.5	Very high	97.4	Very high	57 Å²	57	59.4 Å²	59.4	47%	0.471	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-53.5	-30.9	175.1	0	0	0	0	0	113.6	M65 H179 Q180	M65-A177 VanDerWaalsContact SD-CA 3.51Å; M65-A177 HydrophobicContact SD-CB 4.36Å; A177-H179 PolarHBondContact O-N 2.92Å; A177-Q180 VanDerWaalsContact O-CB 3.23Å; A177-Q180 WeakPolarHBondContact O-CB 3.49Å; A177-Q180 PolarHBondContact O-N 3.25Å; A177-Q180 VanDerWaalsContact O-N 3.1Å
178	Y	96.4	Very high	97.4	Very high	181 Å²	181	59.6 Å²	59.6	71%	0.71	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-56	-34.5	175.2	179	-97.7	0	0	0	113.2	S176	S176-Y178 PolarHBondContact O-N 2.49Å; S176-Y178 VanDerWaalsContact O-N 3.11Å
179	H	97.9	Very high	97.4	Very high	33 Å²	33	59.5 Å²	59.5	15%	0.153	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-92.8	7.6	-178.8	-71.1	114.4	0	0	0	114	I173 S174 S176 A177 Q182 W183	I173-H179 HydrophobicContact CB-CB 4.39Å; S174-H179 PolarHBondContact N-ND1 2.87Å; S174-H179 VanDerWaalsContact N-ND1 3.12Å; S174-H179 WeakPolarHBondContact O-CB 3.31Å; S174-H179 PolarHBondContact OG-CE1 2.73Å; S174-H179 PolarHBondContact OG-ND1 3.27Å; S176-H179 PolarHBondContact O-N 2.94Å; A177-H179 PolarHBondContact O-N 2.92Å; H179-Q182 PolarHBondContact O-N 3.38Å; H179-Q182 VanDerWaalsContact O-N 3.12Å; H179-Q182 PolarHBondContact O-OE1 3.19Å; H179-W183 VanDerWaalsContact O-CD1 3.24Å; H179-W183 PolarHBondContact O-N 2.83Å
180	Q	97.9	Very high	97.3	Very high	76 Å²	76	62 Å²	62	36%	0.355	36%	0.355	S	S	.	.	H	α-helix	trans	-52.8	-47.7	-179.6	175.8	-171.5	29	0	0	112.9	M65 A177 Q182 W183 I184	M65-Q180 HydrophobicContact CE-CB 4.32Å; M65-Q180 HydrophobicContact CG-CB 3.74Å; M65-Q180 HydrophobicContact CG-CG 3.68Å; M65-Q180 PolarHBondContact O-NE2 3.1Å; M65-Q180 HydrophobicContact SD-CB 3.92Å; M65-Q180 HydrophobicContact SD-CG 4.47Å; A177-Q180 VanDerWaalsContact O-CB 3.23Å; A177-Q180 WeakPolarHBondContact O-CB 3.49Å; A177-Q180 PolarHBondContact O-N 3.25Å; A177-Q180 VanDerWaalsContact O-N 3.1Å; Q180-Q182 VanDerWaalsContact C-N 3.27Å; Q180-Q182 PolarHBondContact O-N 3.3Å; Q180-W183 PolarHBondContact O-N 3.47Å; Q180-I184 HydrophobicContact CG-CD1 3.81Å; Q180-I184 HydrophobicContact CG-CG1 4.48Å; Q180-I184 WeakPolarHBondContact O-CG1 3.18Å; Q180-I184 PolarHBondContact O-N 3.41Å
181	P	98	Very high	97.3	Very high	83 Å²	83	67.9 Å²	67.9	54%	0.539	38%	0.382	S	S	.	.	H	α-helix	trans	-60	-37.3	178.9	-24.1	34.9	0	0	0	113	K185	P181-K185 VanDerWaalsContact O-CB 3.23Å; P181-K185 WeakPolarHBondContact O-CB 3.49Å; P181-K185 PolarHBondContact O-N 3.08Å
182	Q	98.4	Very high	97.4	Very high	74 Å²	74	67.6 Å²	67.6	35%	0.346	37%	0.374	S	S	.	.	H	α-helix	trans	-69.2	-40.8	179.3	-63.6	83.8	-21.1	0	0	111	I173 H179 Q180 K186	I173-Q182 HydrophobicContact CG2-CB 3.8Å; I173-Q182 HydrophobicContact CG2-CG 4.34Å; H179-Q182 PolarHBondContact O-N 3.38Å; H179-Q182 VanDerWaalsContact O-N 3.12Å; H179-Q182 PolarHBondContact O-OE1 3.19Å; Q180-Q182 VanDerWaalsContact C-N 3.27Å; Q180-Q182 PolarHBondContact O-N 3.3Å; Q182-K186 WeakPolarHBondContact O-CB 3.44Å; Q182-K186 PolarHBondContact O-N 2.72Å
183	W	98.5	Very high	97.6	Very high	3 Å²	3	66 Å²	66	1%	0.011	35%	0.348	C	S	.	.	H	α-helix	trans	-61.9	-48.2	174.1	-82.3	104	0	0	0	112	F62 L66 F170 I173 S174 F175 H179 Q180 K185 K186 F187	F62-W183 HydrophobicContact CE2-CD2 4.19Å; F62-W183 AromaticContact CE2-CE2 3.94Å; F62-W183 HydrophobicContact CE2-CG 4.38Å; F62-W183 HydrophobicContact CE2-CZ2 4.43Å; F62-W183 AromaticContact CE2-NE1 3.88Å; F62-W183 AromaticContact CZ-CD2 3.89Å; F62-W183 HydrophobicContact CZ-CD2 3.89Å; F62-W183 AromaticContact CZ-CE2 3.88Å; F62-W183 HydrophobicContact CZ-CE3 4.08Å; F62-W183 HydrophobicContact CZ-CG 4.41Å; F62-W183 HydrophobicContact CZ-CH2 4.4Å; F62-W183 HydrophobicContact CZ-CZ2 4.17Å; F62-W183 HydrophobicContact CZ-CZ3 4.35Å; L66-W183 HydrophobicContact CD1-CB 4.36Å; L66-W183 HydrophobicContact CD1-CE3 4.42Å; L66-W183 HydrophobicContact CD2-CB 3.44Å; L66-W183 VanDerWaalsContact CD2-CB 3.44Å; L66-W183 HydrophobicContact CD2-CG 4.12Å; F170-W183 HydrophobicContact CD1-CH2 4.32Å; F170-W183 HydrophobicContact CD2-CH2 4.12Å; F170-W183 HydrophobicContact CD2-CZ2 4.46Å; F170-W183 AromaticContact CE1-CH2 3.97Å; F170-W183 HydrophobicContact CE1-CH2 3.97Å; F170-W183 AromaticContact CE2-CH2 3.76Å; F170-W183 HydrophobicContact CE2-CH2 3.76Å; F170-W183 HydrophobicContact CE2-CZ2 4.12Å; F170-W183 HydrophobicContact CG-CH2 4.4Å; F170-W183 AromaticContact CZ-CH2 3.69Å; F170-W183 HydrophobicContact CZ-CH2 3.69Å; F170-W183 HydrophobicContact CZ-CZ2 4.44Å; I173-W183 HydrophobicContact CD1-CD2 3.95Å; I173-W183 HydrophobicContact CD1-CE3 4.32Å; I173-W183 HydrophobicContact CD1-CH2 3.92Å; I173-W183 HydrophobicContact CD1-CZ2 3.55Å; I173-W183 HydrophobicContact CD1-CZ3 4.3Å; I173-W183 HydrophobicContact CG1-CZ2 4.03Å; S174-W183 PolarHBondContact O-NE1 2.81Å; F175-W183 HydrophobicContact CD1-CH2 4.22Å; F175-W183 AromaticContact CD1-CZ2 3.54Å; F175-W183 HydrophobicContact CD1-CZ2 3.54Å; F175-W183 AromaticContact CE1-CH2 3.77Å; F175-W183 HydrophobicContact CE1-CH2 3.77Å; F175-W183 AromaticContact CE1-CZ2 3.49Å; F175-W183 HydrophobicContact CE1-CZ2 3.49Å; F175-W183 VanDerWaalsContact CE1-CZ2 3.49Å; H179-W183 VanDerWaalsContact O-CD1 3.24Å; H179-W183 PolarHBondContact O-N 2.83Å; Q180-W183 PolarHBondContact O-N 3.47Å; W183-K185 PolarHBondContact O-N 2.99Å; W183-K186 PolarHBondContact O-N 3.26Å; W183-F187 AromaticContact CE3-CD2 3.46Å; W183-F187 HydrophobicContact CE3-CD2 3.46Å; W183-F187 VanDerWaalsContact CE3-CD2 3.46Å; W183-F187 AromaticContact CE3-CE2 3.84Å; W183-F187 HydrophobicContact CE3-CE2 3.84Å; W183-F187 HydrophobicContact CH2-CE2 4.33Å; W183-F187 AromaticContact CZ3-CD2 3.56Å; W183-F187 HydrophobicContact CZ3-CD2 3.56Å; W183-F187 AromaticContact CZ3-CE2 3.55Å; W183-F187 HydrophobicContact CZ3-CE2 3.55Å; W183-F187 PolarHBondContact O-N 2.97Å
184	I	97.9	Very high	97.7	Very high	86 Å²	86	65.2 Å²	65.2	44%	0.441	35%	0.345	S	S	.	.	H	α-helix	trans	-63.8	-43	180	-67.2	171.9	0	0	0	110.7	L66 Q180	L66-I184 HydrophobicContact CD2-CG1 4.27Å; Q180-I184 HydrophobicContact CG-CD1 3.81Å; Q180-I184 HydrophobicContact CG-CG1 4.48Å; Q180-I184 WeakPolarHBondContact O-CG1 3.18Å; Q180-I184 PolarHBondContact O-N 3.41Å
185	K	98	Very high	97.8	Very high	182 Å²	182	63.2 Å²	63.2	79%	0.791	33%	0.331	S	S	*	.	H	α-helix	trans	-67	-44.1	178.7	-179.3	179	177.6	179.8	0	112.4	P181 W183	P181-K185 VanDerWaalsContact O-CB 3.23Å; P181-K185 WeakPolarHBondContact O-CB 3.49Å; P181-K185 PolarHBondContact O-N 3.08Å; W183-K185 PolarHBondContact O-N 2.99Å
186	K	98.1	Very high	97.8	Very high	88 Å²	88	60.7 Å²	60.7	38%	0.383	32%	0.32	S	S	.	.	H	α-helix	trans	-77.6	-31.3	-175.3	-169	171.7	178.7	171.6	0	112.1	L169 Q182 W183	L169-K186 PolarHBondContact O-NZ 2.84Å; Q182-K186 WeakPolarHBondContact O-CB 3.44Å; Q182-K186 PolarHBondContact O-N 2.72Å; W183-K186 PolarHBondContact O-N 3.26Å
187	F	98.5	Very high	98	Very high	6 Å²	6	59 Å²	59	3%	0.026	31%	0.308	C	S	.	.	S	Bend	trans	-134.4	65.8	-175.1	-52.4	-60.6	0	0	0	111.7	R68 Y130 I168 F170 I173 W183 H192 L195	R68-F187 PolarHBondContact NH2-O 2.96Å; Y130-F187 HydrophobicContact CD1-CD1 4.29Å; Y130-F187 HydrophobicContact CD1-CE1 4.11Å; Y130-F187 HydrophobicContact CD1-CZ 4.42Å; Y130-F187 AromaticContact CE1-CD1 3.99Å; Y130-F187 HydrophobicContact CE1-CD1 3.99Å; Y130-F187 HydrophobicContact CE1-CE1 4.14Å; I168-F187 HydrophobicContact CG2-CD1 4.47Å; I168-F187 HydrophobicContact CG2-CE1 3.58Å; I168-F187 HydrophobicContact CG2-CZ 4.25Å; F170-F187 HydrophobicContact CB-CE2 4.26Å; F170-F187 HydrophobicContact CB-CZ 3.99Å; F170-F187 HydrophobicContact CD1-CE2 4.2Å; F170-F187 HydrophobicContact CD1-CZ 4.02Å; F170-F187 HydrophobicContact CG-CE2 4.38Å; F170-F187 HydrophobicContact CG-CZ 4.34Å; I173-F187 HydrophobicContact CD1-CE2 4.32Å; W183-F187 AromaticContact CE3-CD2 3.46Å; W183-F187 HydrophobicContact CE3-CD2 3.46Å; W183-F187 VanDerWaalsContact CE3-CD2 3.46Å; W183-F187 AromaticContact CE3-CE2 3.84Å; W183-F187 HydrophobicContact CE3-CE2 3.84Å; W183-F187 HydrophobicContact CH2-CE2 4.33Å; W183-F187 AromaticContact CZ3-CD2 3.56Å; W183-F187 HydrophobicContact CZ3-CD2 3.56Å; W183-F187 AromaticContact CZ3-CE2 3.55Å; W183-F187 HydrophobicContact CZ3-CE2 3.55Å; W183-F187 PolarHBondContact O-N 2.97Å; F187-H192 HydrophobicContact CB-CB 4.21Å; F187-H192 AromaticContact CD1-CD2 3.98Å; F187-H192 AromaticContact CD1-CE1 3.93Å; F187-H192 AromaticContact CD1-NE2 3.88Å; F187-L195 HydrophobicContact CB-CD1 4.46Å; F187-L195 HydrophobicContact CB-CD2 4.02Å; F187-L195 HydrophobicContact CG-CD2 4.38Å
188	P	98.4	Very high	98.2	Very high	34 Å²	34	57.4 Å²	57.4	22%	0.221	29%	0.292	C	S	.	.			trans	-64.6	148.6	174.8	28.4	-35.2	0	0	0	111	S190 E191 H192	P188-S190 VanDerWaalsContact C-N 3.25Å; P188-S190 PolarHBondContact O-N 3.26Å; P188-E191 HydrophobicContact CG-CB 4.25Å; P188-E191 HydrophobicContact CG-CG 4.29Å; P188-E191 PolarHBondContact O-N 3.17Å; P188-H192 WeakPolarHBondContact O-CB 3.37Å; P188-H192 PolarHBondContact O-N 3.18Å
189	A	98	Very high	98.3	Very high	27 Å²	27	50 Å²	50	22%	0.223	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-32.8	-176.2	0	0	0	0	0	113.7	E36 N37 R68 E191 H192 P193	E36-A189 WeakPolarHBondContact O-CB 3.37Å; N37-A189 VanDerWaalsContact C-CB 3.45Å; N37-A189 WeakPolarHBondContact O-CB 3.43Å; R68-A189 VanDerWaalsContact NH2-CA 3.31Å; A189-E191 VanDerWaalsContact C-N 3.28Å; A189-E191 PolarHBondContact O-N 3.34Å; A189-H192 CarbonylContact O-C 3.57Å; A189-P193 VanDerWaalsContact O-CA 3.27Å; A189-P193 WeakPolarHBondContact O-CA 3.36Å; A189-P193 VanDerWaalsContact O-N 3.16Å
190	S	97.7	Very high	98.3	Very high	109 Å²	109	49 Å²	49	76%	0.762	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-30	178.2	52.2	0	0	0	0	114.1	P188	P188-S190 VanDerWaalsContact C-N 3.25Å; P188-S190 PolarHBondContact O-N 3.26Å
191	E	98.1	Very high	98.4	Very high	126 Å²	126	45.4 Å²	45.4	59%	0.589	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-27.5	-179	-65	177.4	-147.9	0	0	112.3	P188 A189 P193	P188-E191 HydrophobicContact CG-CB 4.25Å; P188-E191 HydrophobicContact CG-CG 4.29Å; P188-E191 PolarHBondContact O-N 3.17Å; A189-E191 VanDerWaalsContact C-N 3.28Å; A189-E191 PolarHBondContact O-N 3.34Å; E191-P193 VanDerWaalsContact C-CD 3.43Å; E191-P193 WeakPolarHBondContact O-CD 3.28Å
192	H	98.4	Very high	98.4	Very high	20 Å²	20	42.2 Å²	42.2	9%	0.093	23%	0.232	C	C	.	.			trans	-127	70.1	-178	-60.9	-84.3	0	0	0	109.5	R68 Y130 F187 P188 A189 V194 L195	R68-H192 VanDerWaalsContact CZ-O 3.26Å; R68-H192 PolarHBondContact NH1-O 3.08Å; R68-H192 PolarHBondContact NH2-O 3.24Å; Y130-H192 HydrophobicContact CE1-CB 4.46Å; Y130-H192 AromaticContact CE1-ND1 3.38Å; Y130-H192 WeakPolarHBondContact CE1-ND1 3.5Å; Y130-H192 AromaticContact CZ-ND1 3.52Å; Y130-H192 WeakPolarHBondContact OH-CB 3.47Å; Y130-H192 PolarHBondContact OH-ND1 2.74Å; F187-H192 HydrophobicContact CB-CB 4.21Å; F187-H192 AromaticContact CD1-CD2 3.98Å; F187-H192 AromaticContact CD1-CE1 3.93Å; F187-H192 AromaticContact CD1-NE2 3.88Å; P188-H192 WeakPolarHBondContact O-CB 3.37Å; P188-H192 PolarHBondContact O-N 3.18Å; A189-H192 CarbonylContact O-C 3.57Å; H192-V194 VanDerWaalsContact C-N 3.25Å; H192-V194 PolarHBondContact O-N 3.49Å; H192-L195 HydrophobicContact CB-CD2 3.86Å
193	P	98.4	Very high	98.4	Very high	47 Å²	47	44.5 Å²	44.5	31%	0.305	24%	0.243	S	C	.	.	S	Bend	trans	-64.3	-30.8	-176.7	20.8	-31.5	0	0	0	112.7	W34 G38 Y39 R68 A189 E191	W34-P193 HydrophobicContact CH2-CB 4.04Å; W34-P193 HydrophobicContact CZ2-CB 3.62Å; G38-P193 CarbonylContact C-O 3.56Å; G38-P193 WeakPolarHBondContact CA-O 3.34Å; Y39-P193 PolarHBondContact N-O 2.86Å; R68-P193 PolarHBondContact NH1-O 3.16Å; A189-P193 VanDerWaalsContact O-CA 3.27Å; A189-P193 WeakPolarHBondContact O-CA 3.36Å; A189-P193 VanDerWaalsContact O-N 3.16Å; E191-P193 VanDerWaalsContact C-CD 3.43Å; E191-P193 WeakPolarHBondContact O-CD 3.28Å
194	V	98.8	Very high	98.4	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	117	179.6	-174.5	0	0	0	0	109.1	W34 L41 F113 W122 Y130 H192	W34-V194 HydrophobicContact CH2-CG2 3.92Å; L41-V194 HydrophobicContact CD1-CG1 3.79Å; L41-V194 HydrophobicContact CD2-CG1 4Å; L41-V194 HydrophobicContact CG-CG1 4.4Å; F113-V194 HydrophobicContact CZ-CG1 4.26Å; F113-V194 HydrophobicContact CZ-CG2 3.96Å; W122-V194 HydrophobicContact CB-CG2 4.17Å; W122-V194 HydrophobicContact CD2-CG1 4.14Å; W122-V194 HydrophobicContact CD2-CG2 4.44Å; W122-V194 HydrophobicContact CG-CB 4.26Å; W122-V194 HydrophobicContact CG-CG1 4.36Å; W122-V194 HydrophobicContact CG-CG2 3.83Å; W122-V194 HydrophobicContact CZ2-CG1 4.22Å; Y130-V194 WeakPolarHBondContact CE2-O 3.44Å; Y130-V194 PolarHBondContact OH-O 3.48Å; H192-V194 VanDerWaalsContact C-N 3.25Å; H192-V194 PolarHBondContact O-N 3.49Å
195	L	98.8	Very high	98.4	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	93.8	172.3	-62.7	-175.7	0	0	0	109.6	Y39 L41 L66 Y130 F187 H192	Y39-L195 PolarHBondContact O-N 3.42Å; L41-L195 PolarHBondContact N-O 3.22Å; L41-L195 VanDerWaalsContact O-O 3.12Å; L66-L195 HydrophobicContact CD1-CD1 3.97Å; Y130-L195 HydrophobicContact CD1-CD2 3.87Å; Y130-L195 HydrophobicContact CD2-CD2 4.33Å; Y130-L195 HydrophobicContact CE1-CD2 3.5Å; Y130-L195 HydrophobicContact CE2-CD2 4.02Å; Y130-L195 HydrophobicContact CG-CD2 4.26Å; F187-L195 HydrophobicContact CB-CD1 4.46Å; F187-L195 HydrophobicContact CB-CD2 4.02Å; F187-L195 HydrophobicContact CG-CD2 4.38Å; H192-L195 HydrophobicContact CB-CD2 3.86Å
196	A	98.9	Very high	98.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	114.9	178	0	0	0	0	0	111.6	L41 W122 Y130 M147 W157 F164	L41-A196 HydrophobicContact CB-CB 4.17Å; L41-A196 WeakPolarHBondContact O-CA 3.43Å; W122-A196 HydrophobicContact CH2-CB 4.41Å; W122-A196 HydrophobicContact CZ2-CB 4.13Å; Y130-A196 PolarHBondContact N-O 3.2Å; M147-A196 HydrophobicContact CE-CB 4.48Å; W157-A196 HydrophobicContact CH2-CB 4.39Å; F164-A196 HydrophobicContact CE1-CB 3.75Å; F164-A196 HydrophobicContact CZ-CB 4.36Å
197	L	98.9	Very high	98.4	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144.7	-172.8	-63.2	163.1	0	0	0	111.9	V40 L41 Y42 C43 Y130 F170 G199 P201	V40-L197 HydrophobicContact CG1-CD1 4.49Å; L41-L197 PolarHBondContact O-N 3.46Å; Y42-L197 WeakPolarHBondContact CA-O 3.44Å; C43-L197 PolarHBondContact N-O 3.06Å; Y130-L197 WeakPolarHBondContact O-CD2 3.22Å; F170-L197 HydrophobicContact CE1-CD2 4.14Å; F170-L197 HydrophobicContact CZ-CD2 4.08Å; L197-G199 WeakPolarHBondContact CB-O 3.5Å; L197-G199 PolarHBondContact O-N 3.39Å; L197-P201 HydrophobicContact CD1-CB 3.66Å; L197-P201 HydrophobicContact CD1-CG 3.65Å
198	P	98.2	Very high	98.3	Very high	23 Å²	23	39.1 Å²	39.1	15%	0.149	22%	0.224	C	C	.	.	S	Bend	trans	-68.7	-18.4	-177.9	27.1	-34.9	0	0	0	113.1	Y130 C131 M147 F153	Y130-P198 WeakPolarHBondContact O-CD 3.49Å; C131-P198 HydrophobicContact CB-CG 4.06Å; M147-P198 HydrophobicContact SD-CB 3.57Å; M147-P198 VanDerWaalsContact SD-CB 3.57Å; M147-P198 VanDerWaalsContact SD-CD 3.56Å; M147-P198 HydrophobicContact SD-CG 4.04Å; F153-P198 WeakPolarHBondContact CE1-O 3.42Å
199	G	98.6	Very high	98.3	Very high	25 Å²	25	44 Å²	44	26%	0.258	24%	0.244	S	C	.	.	S	Bend	trans	-150.4	172.4	-179.8	0	0	0	0	0	110.2	C43 L197	C43-G199 CarbonylContact O-C 3.51Å; C43-G199 WeakPolarHBondContact O-CA 3.12Å; L197-G199 WeakPolarHBondContact CB-O 3.5Å; L197-G199 PolarHBondContact O-N 3.39Å
200	A	98.8	Very high	98.3	Very high	11 Å²	11	44.6 Å²	44.6	9%	0.091	24%	0.242	C	C	.	.			trans	-59.7	131.8	179	0	0	0	0	0	112.1	Y42 C43 H55 A202	Y42-A200 HydrophobicContact CD2-CB 3.61Å; Y42-A200 HydrophobicContact CE2-CB 3.71Å; C43-A200 PolarHBondContact O-N 2.85Å; H55-A200 HydrophobicContact CB-CB 3.53Å; A200-A202 HydrophobicContact CB-CB 4.13Å; A200-A202 PolarHBondContact O-N 2.98Å
201	P	98.6	Very high	98.4	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	22%	0.215	C	C	.	.	S	Bend	trans	-73.5	58.7	168.7	30.3	-35.2	0	0	0	111.4	V40 S59 F62 F175 L197	V40-P201 HydrophobicContact CG1-CG 4.29Å; S59-P201 WeakPolarHBondContact OG-CD 3.19Å; F62-P201 HydrophobicContact CB-CB 4.38Å; F62-P201 HydrophobicContact CB-CG 4.25Å; F62-P201 HydrophobicContact CD1-CB 3.53Å; F62-P201 HydrophobicContact CD1-CG 3.42Å; F62-P201 VanDerWaalsContact CD1-CG 3.42Å; F62-P201 HydrophobicContact CD2-CB 4.18Å; F62-P201 HydrophobicContact CE1-CB 3.7Å; F62-P201 HydrophobicContact CE1-CG 3.89Å; F62-P201 HydrophobicContact CE2-CB 4.34Å; F62-P201 HydrophobicContact CG-CB 3.77Å; F62-P201 HydrophobicContact CG-CG 3.93Å; F62-P201 HydrophobicContact CZ-CB 4.1Å; F175-P201 HydrophobicContact CB-CB 4.25Å; F175-P201 WeakPolarHBondContact CB-O 3.18Å; F175-P201 HydrophobicContact CD1-CB 3.45Å; F175-P201 VanDerWaalsContact CD1-CB 3.45Å; F175-P201 HydrophobicContact CD2-CB 4.16Å; F175-P201 HydrophobicContact CE1-CB 3.7Å; F175-P201 HydrophobicContact CE2-CB 4.37Å; F175-P201 HydrophobicContact CG-CB 3.7Å; F175-P201 HydrophobicContact CZ-CB 4.16Å; L197-P201 HydrophobicContact CD1-CB 3.66Å; L197-P201 HydrophobicContact CD1-CG 3.65Å
202	A	98.4	Very high	98.4	Very high	17 Å²	17	36.2 Å²	36.2	14%	0.14	20%	0.201	C	C	.	.	S	Bend	trans	-147.3	158.3	-170.4	0	0	0	0	0	111.5	H55 A200	H55-A202 HydrophobicContact CB-CB 4.42Å; H55-A202 VanDerWaalsContact O-CB 3.27Å; H55-A202 WeakPolarHBondContact O-CB 3.34Å; A200-A202 HydrophobicContact CB-CB 4.13Å; A200-A202 PolarHBondContact O-N 2.98Å
203	Q	98	Very high	98.4	Very high	122 Å²	122	35.9 Å²	35.9	57%	0.57	20%	0.2	S	C	*	.			trans	-88.9	156.1	169.7	-62.8	-170	16	0	0	111	P205 V207	Q203-P205 CarbonylContact C-O 3.46Å; Q203-V207 HydrophobicContact CB-CG1 4.18Å; Q203-V207 HydrophobicContact CG-CG1 4.32Å
204	F	98.2	Very high	98.4	Very high	57 Å²	57	34 Å²	34	25%	0.25	19%	0.187	C	C	.	.	S	Bend	trans	-124.2	131.5	164.8	177.6	-99.1	0	0	0	109.9	M46 N51 D54 M267	M46-F204 HydrophobicContact CE-CB 3.54Å; M46-F204 HydrophobicContact CE-CD1 4.04Å; M46-F204 HydrophobicContact CE-CG 3.76Å; N51-F204 HydrophobicContact CB-CD2 4.47Å; N51-F204 HydrophobicContact CB-CE2 4.37Å; N51-F204 WeakPolarHBondContact ND2-CE1 3.41Å; N51-F204 WeakPolarHBondContact ND2-CE2 3.35Å; N51-F204 WeakPolarHBondContact ND2-CZ 3.32Å; D54-F204 HydrophobicContact CB-CD2 3.93Å; D54-F204 HydrophobicContact CB-CE2 4.32Å; F204-M267 HydrophobicContact CE1-CB 4.18Å; F204-M267 HydrophobicContact CZ-CB 4.36Å
205	P	98.3	Very high	98.4	Very high	30 Å²	30	41.1 Å²	41.1	20%	0.195	21%	0.213	C	C	.	.	S	Bend	cis	-64.2	167.8	-8.2	31.8	-36.8	0	0	0	111.7	D54 Q203 V207 M267 P270	D54-P205 WeakPolarHBondContact OD2-CA 3.42Å; Q203-P205 CarbonylContact C-O 3.46Å; P205-V207 PolarHBondContact O-N 3.03Å; P205-M267 VanDerWaalsContact CD-O 3.28Å; P205-M267 WeakPolarHBondContact CD-O 3.07Å; P205-M267 VanDerWaalsContact CG-O 3.25Å; P205-M267 WeakPolarHBondContact CG-O 3.14Å; P205-P270 HydrophobicContact CG-CG 3.92Å
206	V	98.3	Very high	98.4	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-56.3	133.3	175.9	64.7	0	0	0	0	110.3	D54 L57 H210 V211 Y275	D54-V206 HydrophobicContact CB-CB 4.06Å; D54-V206 PolarHBondContact OD2-N 2.98Å; L57-V206 HydrophobicContact CB-CG2 3.9Å; L57-V206 HydrophobicContact CD1-CG2 4.28Å; V206-H210 HydrophobicContact CG2-CB 3.6Å; V206-V211 HydrophobicContact CG1-CG2 4.15Å; V206-Y275 WeakPolarHBondContact O-CE1 3.44Å; V206-Y275 PolarHBondContact O-OH 3.37Å
207	V	97.6	Very high	98.4	Very high	31 Å²	31	44.3 Å²	44.3	19%	0.188	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-64	150	177.6	-66	0	0	0	0	111.4	Q203 P205 E209 H210 V211	Q203-V207 HydrophobicContact CB-CG1 4.18Å; Q203-V207 HydrophobicContact CG-CG1 4.32Å; P205-V207 PolarHBondContact O-N 3.03Å; V207-E209 VanDerWaalsContact C-N 3.28Å; V207-E209 HydrophobicContact CB-CG 4.16Å; V207-E209 HydrophobicContact CG2-CG 3.5Å; V207-E209 VanDerWaalsContact CG2-CG 3.5Å; V207-E209 PolarHBondContact O-N 3.08Å; V207-H210 HydrophobicContact CG2-CB 4.03Å; V207-H210 WeakPolarHBondContact CG2-ND1 3.4Å; V207-H210 PolarHBondContact O-N 3.28Å; V207-V211 PolarHBondContact O-N 3.41Å
208	E	97.9	Very high	98.4	Very high	131 Å²	131	46.7 Å²	46.7	61%	0.612	24%	0.242	S	C	*	.	H	α-helix	trans	-52.6	-43.9	-173.5	-169.1	167.2	-151.7	0	0	113.2	H210 V211 Y275	E208-H210 PolarHBondContact O-N 3.35Å; E208-H210 VanDerWaalsContact O-N 3.14Å; E208-V211 WeakPolarHBondContact O-CB 3.25Å; E208-V211 WeakPolarHBondContact O-CG2 3.44Å; E208-V211 PolarHBondContact O-N 3.28Å; E208-V211 VanDerWaalsContact O-N 3.15Å; E208-Y275 HydrophobicContact CB-CD1 4.02Å; E208-Y275 HydrophobicContact CB-CD2 3.66Å; E208-Y275 HydrophobicContact CB-CE1 4.23Å; E208-Y275 HydrophobicContact CB-CE2 3.91Å; E208-Y275 HydrophobicContact CB-CG 3.71Å; E208-Y275 HydrophobicContact CG-CD2 3.75Å; E208-Y275 HydrophobicContact CG-CE2 4.03Å; E208-Y275 HydrophobicContact CG-CG 4.25Å
209	E	97.8	Very high	98.4	Very high	138 Å²	138	46 Å²	46	65%	0.645	24%	0.236	S	C	*	.	H	α-helix	trans	-58.2	-25	177.8	57	-171.6	-141	0	0	114.2	V207	V207-E209 VanDerWaalsContact C-N 3.28Å; V207-E209 HydrophobicContact CB-CG 4.16Å; V207-E209 HydrophobicContact CG2-CG 3.5Å; V207-E209 VanDerWaalsContact CG2-CG 3.5Å; V207-E209 PolarHBondContact O-N 3.08Å
210	H	98.6	Very high	98.4	Very high	38 Å²	38	45.2 Å²	45.2	18%	0.176	23%	0.227	C	C	.	.	H	α-helix	trans	-100.8	-7.4	-178.4	-61.4	155.9	0	0	0	113.5	A61 V206 V207 E208 G212 L213	A61-H210 VanDerWaalsContact CB-CE1 3.42Å; A61-H210 WeakPolarHBondContact CB-CE1 3.18Å; A61-H210 WeakPolarHBondContact CB-NE2 3.37Å; V206-H210 HydrophobicContact CG2-CB 3.6Å; V207-H210 HydrophobicContact CG2-CB 4.03Å; V207-H210 WeakPolarHBondContact CG2-ND1 3.4Å; V207-H210 PolarHBondContact O-N 3.28Å; E208-H210 PolarHBondContact O-N 3.35Å; E208-H210 VanDerWaalsContact O-N 3.14Å; H210-G212 PolarHBondContact O-N 3.21Å; H210-L213 HydrophobicContact CB-CD1 4.03Å; H210-L213 HydrophobicContact CB-CG 4.47Å; H210-L213 VanDerWaalsContact O-CB 3.26Å; H210-L213 WeakPolarHBondContact O-CB 3.49Å; H210-L213 WeakPolarHBondContact O-CG 3.45Å; H210-L213 PolarHBondContact O-N 2.72Å
211	V	98.4	Very high	98.4	Very high	30 Å²	30	48.1 Å²	48.1	18%	0.182	25%	0.251	C	S	.	.	H	α-helix	trans	-55.4	-42.2	178.3	173.7	0	0	0	0	111.1	V206 V207 E208 L213 Q214 Y275 R369	V206-V211 HydrophobicContact CG1-CG2 4.15Å; V207-V211 PolarHBondContact O-N 3.41Å; E208-V211 WeakPolarHBondContact O-CB 3.25Å; E208-V211 WeakPolarHBondContact O-CG2 3.44Å; E208-V211 PolarHBondContact O-N 3.28Å; E208-V211 VanDerWaalsContact O-N 3.15Å; V211-L213 PolarHBondContact O-N 3.02Å; V211-L213 VanDerWaalsContact O-N 3.15Å; V211-Q214 PolarHBondContact O-N 3.23Å; V211-Y275 HydrophobicContact CG2-CE2 4.42Å; V211-Y275 VanDerWaalsContact CG2-OH 3.32Å; V211-Y275 WeakPolarHBondContact CG2-OH 3.37Å; V211-R369 HydrophobicContact CG1-CG 3.67Å
212	G	98.4	Very high	98.4	Very high	29 Å²	29	53.4 Å²	53.4	30%	0.299	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-66.7	-12.7	-178.9	0	0	0	0	0	115	H210 Q214 R215	H210-G212 PolarHBondContact O-N 3.21Å; G212-Q214 PolarHBondContact O-N 3.42Å; G212-R215 WeakPolarHBondContact O-CG 3.25Å; G212-R215 PolarHBondContact O-N 3.28Å; G212-R215 PolarHBondContact O-NE 3.25Å
213	L	98.8	Very high	98.4	Very high	14 Å²	14	52.9 Å²	52.9	7%	0.073	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-69.6	-14.9	177	-60	-176.4	0	0	0	112.8	L57 A61 Y104 H210 V211 R215 Y216	L57-L213 HydrophobicContact CD2-CB 4.02Å; L57-L213 WeakPolarHBondContact O-CD1 3.43Å; A61-L213 HydrophobicContact CB-CD1 3.95Å; Y104-L213 HydrophobicContact CD2-CD2 3.72Å; Y104-L213 HydrophobicContact CE1-CD1 4.28Å; Y104-L213 HydrophobicContact CE1-CD2 4.24Å; Y104-L213 HydrophobicContact CE2-CD2 3.26Å; Y104-L213 HydrophobicContact CG-CD2 4.36Å; H210-L213 HydrophobicContact CB-CD1 4.03Å; H210-L213 HydrophobicContact CB-CG 4.47Å; H210-L213 VanDerWaalsContact O-CB 3.26Å; H210-L213 WeakPolarHBondContact O-CB 3.49Å; H210-L213 WeakPolarHBondContact O-CG 3.45Å; H210-L213 PolarHBondContact O-N 2.72Å; V211-L213 PolarHBondContact O-N 3.02Å; V211-L213 VanDerWaalsContact O-N 3.15Å; L213-R215 PolarHBondContact O-N 2.77Å; L213-Y216 HydrophobicContact CB-CD2 4.49Å; L213-Y216 HydrophobicContact CD2-CD2 4.23Å; L213-Y216 HydrophobicContact CD2-CE2 3.99Å; L213-Y216 WeakPolarHBondContact O-CD2 3.42Å; L213-Y216 PolarHBondContact O-N 3.49Å
214	Q	98.8	Very high	98.4	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.028	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-53.8	-24.5	172.5	-167.9	73.7	40.9	0	0	112.7	V211 G212 Y216 V217 R369 E370 V373	V211-Q214 PolarHBondContact O-N 3.23Å; G212-Q214 PolarHBondContact O-N 3.42Å; Q214-Y216 PolarHBondContact O-N 2.95Å; Q214-Y216 VanDerWaalsContact O-N 3.14Å; Q214-V217 WeakPolarHBondContact O-CB 3.42Å; Q214-V217 PolarHBondContact O-N 2.73Å; Q214-R369 HydrophobicContact CB-CB 3.74Å; Q214-R369 HydrophobicContact CG-CB 3.62Å; Q214-E370 HydrophobicContact CG-CB 4.42Å; Q214-V373 HydrophobicContact CB-CG1 4.44Å
215	R	98.8	Very high	98.4	Very high	154 Å²	154	53.3 Å²	53.3	58%	0.581	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-58.8	-23.2	175.2	73.3	-177.3	62.4	-147.3	-4.1	114.4	G212 L213 V373	G212-R215 WeakPolarHBondContact O-CG 3.25Å; G212-R215 PolarHBondContact O-N 3.28Å; G212-R215 PolarHBondContact O-NE 3.25Å; L213-R215 PolarHBondContact O-N 2.77Å; R215-V373 HydrophobicContact CB-CB 4.29Å; R215-V373 HydrophobicContact CB-CG1 4.24Å; R215-V373 HydrophobicContact CB-CG2 4.48Å
216	Y	98.8	Very high	98.4	Very high	57 Å²	57	54.9 Å²	54.9	22%	0.224	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-90.8	-9.6	178.4	-56.6	-72.4	0	0	0	112.7	L101 A103 Y104 L213 Q214 V218	L101-Y216 WeakPolarHBondContact CD2-O 3.38Å; A103-Y216 HydrophobicContact CB-CD1 4.03Å; A103-Y216 HydrophobicContact CB-CE1 3.87Å; Y104-Y216 HydrophobicContact CD2-CD2 4.15Å; Y104-Y216 AromaticContact CD2-CE2 3.49Å; Y104-Y216 HydrophobicContact CD2-CE2 3.49Å; Y104-Y216 VanDerWaalsContact CD2-CE2 3.49Å; Y104-Y216 AromaticContact CD2-CZ 3.89Å; Y104-Y216 HydrophobicContact CE2-CE2 4.42Å; Y104-Y216 HydrophobicContact CG-CD2 4.08Å; Y104-Y216 AromaticContact CG-CE2 3.85Å; Y104-Y216 HydrophobicContact CG-CE2 3.85Å; L213-Y216 HydrophobicContact CB-CD2 4.49Å; L213-Y216 HydrophobicContact CD2-CD2 4.23Å; L213-Y216 HydrophobicContact CD2-CE2 3.99Å; L213-Y216 WeakPolarHBondContact O-CD2 3.42Å; L213-Y216 PolarHBondContact O-N 3.49Å; Q214-Y216 PolarHBondContact O-N 2.95Å; Q214-Y216 VanDerWaalsContact O-N 3.14Å; Y216-V218 PolarHBondContact O-N 3.45Å
217	V	98.8	Very high	98.4	Very high	11 Å²	11	54.8 Å²	54.8	7%	0.067	28%	0.282	C	S	.	.			trans	-87.4	85.6	176.1	-175.1	0	0	0	0	108.1	F56 L57 F96 Q214 F366	F56-V217 HydrophobicContact CD1-CG2 4.39Å; F56-V217 HydrophobicContact CE1-CG2 3.87Å; L57-V217 HydrophobicContact CD2-CG2 3.9Å; F96-V217 HydrophobicContact CD1-CG1 3.42Å; F96-V217 VanDerWaalsContact CD1-CG1 3.42Å; F96-V217 HydrophobicContact CD2-CG1 4.22Å; F96-V217 HydrophobicContact CE1-CG1 3.49Å; F96-V217 VanDerWaalsContact CE1-CG1 3.49Å; F96-V217 HydrophobicContact CE2-CG1 4.27Å; F96-V217 HydrophobicContact CG-CG1 3.82Å; F96-V217 HydrophobicContact CZ-CG1 3.94Å; Q214-V217 WeakPolarHBondContact O-CB 3.42Å; Q214-V217 PolarHBondContact O-N 2.73Å; V217-F366 HydrophobicContact CG1-CE2 4.25Å; V217-F366 HydrophobicContact CG1-CZ 4.17Å
218	V	98.8	Very high	98.5	Very high	54 Å²	54	56.8 Å²	56.8	33%	0.327	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-96.5	127.6	-176.8	-178.8	0	0	0	0	109.5	F96 Q97 A100 Y216	F96-V218 CarbonylContact C-O 3.57Å; F96-V218 WeakPolarHBondContact CA-O 3.33Å; Q97-V218 HydrophobicContact CB-CB 4.39Å; Q97-V218 HydrophobicContact CG-CG1 4.31Å; Q97-V218 PolarHBondContact N-O 3.47Å; A100-V218 HydrophobicContact CB-CB 3.88Å; A100-V218 HydrophobicContact CB-CG2 3.57Å; Y216-V218 PolarHBondContact O-N 3.45Å
219	W	98.8	Very high	98.5	Very high	7 Å²	7	55.9 Å²	55.9	3%	0.027	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-55.5	141	177.1	-68.7	113.9	0	0	0	112.6	F96 Q97 M223 V224 Q343 L346 Y347 F366 E370	F96-W219 HydrophobicContact CD1-CD2 4.33Å; F96-W219 AromaticContact CD1-CE3 3.91Å; F96-W219 HydrophobicContact CD1-CE3 3.91Å; F96-W219 HydrophobicContact CD1-CZ3 4.27Å; F96-W219 AromaticContact CE1-CD2 3.83Å; F96-W219 HydrophobicContact CE1-CD2 3.83Å; F96-W219 AromaticContact CE1-CE3 3.36Å; F96-W219 HydrophobicContact CE1-CE3 3.36Å; F96-W219 AromaticContact CE1-CH2 3.83Å; F96-W219 HydrophobicContact CE1-CH2 3.83Å; F96-W219 HydrophobicContact CE1-CZ2 4.26Å; F96-W219 AromaticContact CE1-CZ3 3.35Å; F96-W219 HydrophobicContact CE1-CZ3 3.35Å; F96-W219 HydrophobicContact CZ-CE3 4.11Å; F96-W219 AromaticContact CZ-CH2 3.98Å; F96-W219 HydrophobicContact CZ-CH2 3.98Å; F96-W219 AromaticContact CZ-CZ3 3.63Å; F96-W219 HydrophobicContact CZ-CZ3 3.63Å; Q97-W219 WeakPolarHBondContact CG-O 3.06Å; Q97-W219 PolarHBondContact NE2-O 3.36Å; W219-M223 HydrophobicContact CB-CB 4.39Å; W219-M223 HydrophobicContact CE3-CB 3.92Å; W219-M223 HydrophobicContact CE3-CG 4.01Å; W219-M223 HydrophobicContact CZ3-CE 4.33Å; W219-M223 HydrophobicContact CZ3-CG 4.39Å; W219-V224 HydrophobicContact CB-CG2 3.8Å; W219-Q343 HydrophobicContact CH2-CB 4.28Å; W219-Q343 HydrophobicContact CZ3-CB 4.04Å; W219-Q343 HydrophobicContact CZ3-CG 4.32Å; W219-L346 HydrophobicContact CH2-CB 3.83Å; W219-L346 HydrophobicContact CH2-CD1 4.41Å; W219-L346 HydrophobicContact CZ2-CB 3.97Å; W219-Y347 HydrophobicContact CB-CD2 4.3Å; W219-Y347 HydrophobicContact CB-CE2 4.28Å; W219-Y347 AromaticContact CD1-CD2 3.58Å; W219-Y347 AromaticContact CD1-CE2 3.79Å; W219-Y347 AromaticContact CD2-CD2 3.85Å; W219-Y347 HydrophobicContact CD2-CD2 3.85Å; W219-Y347 AromaticContact CE2-CD2 3.88Å; W219-Y347 AromaticContact CG-CD2 3.68Å; W219-Y347 HydrophobicContact CG-CD2 3.68Å; W219-Y347 AromaticContact CG-CE2 4Å; W219-Y347 HydrophobicContact CG-CE2 4Å; W219-Y347 AromaticContact NE1-CD2 3.71Å; W219-F366 AromaticContact CH2-CE1 3.95Å; W219-F366 HydrophobicContact CH2-CE1 3.95Å; W219-F366 HydrophobicContact CH2-CZ 4.16Å; W219-F366 AromaticContact CZ2-CE1 3.55Å; W219-F366 HydrophobicContact CZ2-CE1 3.55Å; W219-F366 HydrophobicContact CZ2-CZ 4.04Å; W219-E370 PolarHBondContact NE1-OE1 3.12Å; W219-E370 PolarHBondContact NE1-OE2 3.11Å; W219-E370 VanDerWaalsContact NE1-OE2 3.11Å
220	S	98.6	Very high	98.5	Very high	10 Å²	10	51.7 Å²	51.7	7%	0.07	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-63.6	156	172.7	74.4	0	0	0	0	110.7	E94 F95 N222 M223 V224	E94-S220 WeakPolarHBondContact O-CB 3.18Å; E94-S220 PolarHBondContact O-OG 3.22Å; F95-S220 PolarHBondContact O-N 3.1Å; S220-N222 PolarHBondContact O-N 3.39Å; S220-M223 PolarHBondContact O-N 2.97Å; S220-M223 WeakPolarHBondContact OG-CG 3.25Å; S220-M223 PolarHBondContact OG-N 3.38Å; S220-V224 WeakPolarHBondContact O-CG2 3.33Å; S220-V224 PolarHBondContact O-N 3.02Å
221	A	98.4	Very high	98.5	Very high	72 Å²	72	50.3 Å²	50.3	60%	0.595	26%	0.26	S	S	*	.	H	α-helix	trans	-59.1	-34.2	179.2	0	0	0	0	0	112.3	K225	A221-K225 WeakPolarHBondContact O-CB 3.39Å; A221-K225 PolarHBondContact O-N 2.82Å
222	N	97.7	Very high	98.6	Very high	112 Å²	112	52.9 Å²	52.9	60%	0.599	28%	0.284	S	S	*	.	H	α-helix	trans	-66.2	-48	176.5	-69.5	-8.2	0	0	0	111.3	S220 V224 K225 E226	S220-N222 PolarHBondContact O-N 3.39Å; N222-V224 VanDerWaalsContact C-N 3.31Å; N222-V224 PolarHBondContact O-N 3.02Å; N222-K225 PolarHBondContact O-N 3.49Å; N222-E226 WeakPolarHBondContact O-CB 3.34Å; N222-E226 PolarHBondContact O-N 3.18Å
223	M	98.5	Very high	98.6	Very high	5 Å²	5	55 Å²	55	3%	0.025	30%	0.298	C	S	.	.	H	α-helix	trans	-60.5	-40.9	176.9	-73.5	-55.8	-46.5	0	0	112.2	F95 W219 S220 G227 Q343	F95-M223 HydrophobicContact CD1-CG 4.39Å; F95-M223 HydrophobicContact CD1-SD 4.01Å; W219-M223 HydrophobicContact CB-CB 4.39Å; W219-M223 HydrophobicContact CE3-CB 3.92Å; W219-M223 HydrophobicContact CE3-CG 4.01Å; W219-M223 HydrophobicContact CZ3-CE 4.33Å; W219-M223 HydrophobicContact CZ3-CG 4.39Å; S220-M223 PolarHBondContact O-N 2.97Å; S220-M223 WeakPolarHBondContact OG-CG 3.25Å; S220-M223 PolarHBondContact OG-N 3.38Å; M223-G227 PolarHBondContact O-N 3.2Å; M223-Q343 HydrophobicContact CE-CB 3.71Å; M223-Q343 HydrophobicContact SD-CB 4.22Å
224	V	98.8	Very high	98.5	Very high	56 Å²	56	56.7 Å²	56.7	34%	0.339	31%	0.307	S	S	.	.	H	α-helix	trans	-61.2	-51.2	175.2	172.1	0	0	0	0	110.3	W219 S220 N222 G227 E228 Y347	W219-V224 HydrophobicContact CB-CG2 3.8Å; S220-V224 WeakPolarHBondContact O-CG2 3.33Å; S220-V224 PolarHBondContact O-N 3.02Å; N222-V224 VanDerWaalsContact C-N 3.31Å; N222-V224 PolarHBondContact O-N 3.02Å; V224-G227 PolarHBondContact O-N 3.25Å; V224-E228 HydrophobicContact CG1-CG 4.37Å; V224-E228 WeakPolarHBondContact O-CB 3.27Å; V224-E228 VanDerWaalsContact O-CG 3.31Å; V224-E228 WeakPolarHBondContact O-CG 3.4Å; V224-E228 PolarHBondContact O-N 3.35Å; V224-Y347 HydrophobicContact CB-CE2 4.31Å; V224-Y347 HydrophobicContact CG2-CE2 3.92Å
225	K	98.5	Very high	98.5	Very high	132 Å²	132	57.1 Å²	57.1	57%	0.574	31%	0.31	S	S	*	.	H	α-helix	trans	-58.8	-53.9	-178.4	-179.5	-176.6	171.6	-171	0	111.7	A221 N222 G227 E228 E229	A221-K225 WeakPolarHBondContact O-CB 3.39Å; A221-K225 PolarHBondContact O-N 2.82Å; N222-K225 PolarHBondContact O-N 3.49Å; K225-G227 PolarHBondContact O-N 2.94Å; K225-E228 PolarHBondContact O-N 3.02Å; K225-E229 WeakPolarHBondContact CE-OE1 3.03Å; K225-E229 WeakPolarHBondContact CG-OE1 3.39Å; K225-E229 WeakPolarHBondContact O-CB 3.38Å; K225-E229 VanDerWaalsContact O-CG 3.29Å; K225-E229 WeakPolarHBondContact O-CG 3.46Å; K225-E229 PolarHBondContact O-N 2.95Å
226	E	97.6	Very high	98.5	Very high	64 Å²	64	52.6 Å²	52.6	30%	0.299	30%	0.299	S	S	.	.	H	α-helix	trans	-61.1	-45.3	-178.8	-175.3	-171	136.7	0	0	111.5	N222 E229 H230 T344	N222-E226 WeakPolarHBondContact O-CB 3.34Å; N222-E226 PolarHBondContact O-N 3.18Å; E226-E229 PolarHBondContact O-N 2.63Å; E226-H230 PolarHBondContact O-CD2 2.89Å; E226-H230 VanDerWaalsContact O-CD2 3.26Å; E226-H230 PolarHBondContact O-N 2.92Å; E226-T344 PolarHBondContact OE1-OG1 3.11Å
227	G	98.4	Very high	98.5	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.3	-44.4	179.4	0	0	0	0	0	113.2	M223 V224 K225 H230 I231 Y347	M223-G227 PolarHBondContact O-N 3.2Å; V224-G227 PolarHBondContact O-N 3.25Å; K225-G227 PolarHBondContact O-N 2.94Å; G227-H230 PolarHBondContact O-N 2.99Å; G227-I231 VanDerWaalsContact O-CG1 3.27Å; G227-I231 WeakPolarHBondContact O-CG1 3.45Å; G227-I231 PolarHBondContact O-N 3.2Å; G227-Y347 VanDerWaalsContact CA-CD1 3.46Å
228	E	98.7	Very high	98.5	Very high	73 Å²	73	55.6 Å²	55.6	34%	0.341	32%	0.315	S	S	.	.	H	α-helix	trans	-66.2	-36.6	175.8	-68.8	-53.5	139.1	0	0	112.3	V224 K225 I231 A232 Y347	V224-E228 HydrophobicContact CG1-CG 4.37Å; V224-E228 WeakPolarHBondContact O-CB 3.27Å; V224-E228 VanDerWaalsContact O-CG 3.31Å; V224-E228 WeakPolarHBondContact O-CG 3.4Å; V224-E228 PolarHBondContact O-N 3.35Å; K225-E228 PolarHBondContact O-N 3.02Å; E228-I231 PolarHBondContact O-N 3.15Å; E228-A232 VanDerWaalsContact O-CB 3.32Å; E228-A232 WeakPolarHBondContact O-CB 3.31Å; E228-A232 PolarHBondContact O-N 3.3Å; E228-Y347 HydrophobicContact CG-CE1 4.31Å; E228-Y347 WeakPolarHBondContact OE1-CE1 3.41Å; E228-Y347 PolarHBondContact OE1-OH 3.38Å
229	E	98.5	Very high	98.5	Very high	111 Å²	111	53 Å²	53	52%	0.519	30%	0.299	S	S	.	.	H	α-helix	trans	-61.1	-45.1	174.1	-76.6	172.5	-178.5	0	0	111.3	K225 E226 A232 A233	K225-E229 WeakPolarHBondContact CE-OE1 3.03Å; K225-E229 WeakPolarHBondContact CG-OE1 3.39Å; K225-E229 WeakPolarHBondContact O-CB 3.38Å; K225-E229 VanDerWaalsContact O-CG 3.29Å; K225-E229 WeakPolarHBondContact O-CG 3.46Å; K225-E229 PolarHBondContact O-N 2.95Å; E226-E229 PolarHBondContact O-N 2.63Å; E229-A232 PolarHBondContact O-N 2.92Å; E229-A233 VanDerWaalsContact O-CB 3.31Å; E229-A233 WeakPolarHBondContact O-CB 3.38Å; E229-A233 PolarHBondContact O-N 3.25Å
230	H	98.5	Very high	98.5	Very high	51 Å²	51	52.7 Å²	52.7	24%	0.236	30%	0.298	C	S	.	.	H	α-helix	trans	-62.8	-43.9	174.2	-78.6	-56.3	0	0	0	112.7	E226 G227 A233 L234 I348	E226-H230 PolarHBondContact O-CD2 2.89Å; E226-H230 VanDerWaalsContact O-CD2 3.26Å; E226-H230 PolarHBondContact O-N 2.92Å; G227-H230 PolarHBondContact O-N 2.99Å; H230-A233 PolarHBondContact O-N 3.37Å; H230-L234 HydrophobicContact CB-CD1 4.49Å; H230-L234 VanDerWaalsContact O-CB 3.23Å; H230-L234 WeakPolarHBondContact O-CB 3.27Å; H230-L234 WeakPolarHBondContact O-CG 3.4Å; H230-L234 PolarHBondContact O-N 2.69Å; H230-I348 HydrophobicContact CB-CD1 3.86Å
231	I	98.8	Very high	98.5	Very high	9 Å²	9	52.2 Å²	52.2	5%	0.046	29%	0.294	C	S	.	.	H	α-helix	trans	-60.5	-48.5	177.6	-68.7	164.5	0	0	0	110	G227 E228 A233 L235 Y239 Y347 I348 Q351	G227-I231 VanDerWaalsContact O-CG1 3.27Å; G227-I231 WeakPolarHBondContact O-CG1 3.45Å; G227-I231 PolarHBondContact O-N 3.2Å; E228-I231 PolarHBondContact O-N 3.15Å; I231-A233 PolarHBondContact O-N 3.25Å; I231-L235 HydrophobicContact CG1-CD1 4.28Å; I231-L235 HydrophobicContact CG2-CB 4.48Å; I231-L235 WeakPolarHBondContact O-CA 3.47Å; I231-L235 WeakPolarHBondContact O-CB 3.49Å; I231-L235 PolarHBondContact O-N 3.07Å; I231-Y239 HydrophobicContact CG2-CE1 4.24Å; I231-Y347 HydrophobicContact CD1-CD1 4.47Å; I231-Y347 HydrophobicContact CD1-CE1 4.16Å; I231-I348 HydrophobicContact CD1-CG1 4.46Å; I231-I348 HydrophobicContact CG1-CG1 4.11Å; I231-I348 HydrophobicContact CG1-CG2 4.11Å; I231-Q351 HydrophobicContact CD1-CB 3.68Å; I231-Q351 HydrophobicContact CD1-CG 3.87Å
232	A	98.6	Very high	98.5	Very high	84 Å²	84	48.8 Å²	48.8	69%	0.694	27%	0.266	S	S	*	.	H	α-helix	trans	-64.2	-39.5	-178.3	0	0	0	0	0	112.8	E228 E229	E228-A232 VanDerWaalsContact O-CB 3.32Å; E228-A232 WeakPolarHBondContact O-CB 3.31Å; E228-A232 PolarHBondContact O-N 3.3Å; E229-A232 PolarHBondContact O-N 2.92Å
233	A	98.4	Very high	98.6	Very high	73 Å²	73	43.8 Å²	43.8	60%	0.603	24%	0.239	S	C	*	.	H	α-helix	trans	-76.2	-37.5	-179	0	0	0	0	0	112.9	E229 H230 I231	E229-A233 VanDerWaalsContact O-CB 3.31Å; E229-A233 WeakPolarHBondContact O-CB 3.38Å; E229-A233 PolarHBondContact O-N 3.25Å; H230-A233 PolarHBondContact O-N 3.37Å; I231-A233 PolarHBondContact O-N 3.25Å
234	L	98.3	Very high	98.6	Very high	49 Å²	49	43.5 Å²	43.5	26%	0.257	24%	0.238	S	C	.	.	H	α-helix	trans	-107.3	-28.3	-165.8	-56.4	175.9	0	0	0	113.5	H230 K333 V335 L337	H230-L234 HydrophobicContact CB-CD1 4.49Å; H230-L234 VanDerWaalsContact O-CB 3.23Å; H230-L234 WeakPolarHBondContact O-CB 3.27Å; H230-L234 WeakPolarHBondContact O-CG 3.4Å; H230-L234 PolarHBondContact O-N 2.69Å; L234-K333 WeakPolarHBondContact O-CD 3.36Å; L234-K333 WeakPolarHBondContact O-CE 3.48Å; L234-K333 PolarHBondContact O-NZ 2.88Å; L234-V335 HydrophobicContact CB-CG1 4.04Å; L234-V335 HydrophobicContact CB-CG2 4.44Å; L234-V335 HydrophobicContact CD1-CG1 4.19Å; L234-V335 WeakPolarHBondContact O-CG2 3.5Å; L234-L337 HydrophobicContact CD1-CD1 4.09Å
235	L	98.7	Very high	98.6	Very high	15 Å²	15	41.7 Å²	41.7	8%	0.079	23%	0.225	C	C	.	.			trans	-115.6	153.8	-168.3	-60.2	174.6	0	0	0	112.6	I231 Y239 Y312 V335 I348	I231-L235 HydrophobicContact CG1-CD1 4.28Å; I231-L235 HydrophobicContact CG2-CB 4.48Å; I231-L235 WeakPolarHBondContact O-CA 3.47Å; I231-L235 WeakPolarHBondContact O-CB 3.49Å; I231-L235 PolarHBondContact O-N 3.07Å; L235-Y239 HydrophobicContact CB-CD1 4.42Å; L235-Y239 HydrophobicContact CD1-CD1 4.23Å; L235-Y239 HydrophobicContact CD1-CD2 3.89Å; L235-Y239 HydrophobicContact CD1-CE1 4.12Å; L235-Y239 HydrophobicContact CD1-CE2 3.78Å; L235-Y239 HydrophobicContact CD1-CG 4.12Å; L235-Y312 HydrophobicContact CD1-CD2 3.97Å; L235-Y312 HydrophobicContact CD1-CG 4.22Å; L235-Y312 HydrophobicContact CD2-CD2 4.17Å; L235-Y312 HydrophobicContact CG-CD2 4.48Å; L235-V335 HydrophobicContact CD2-CB 3.93Å; L235-V335 HydrophobicContact CD2-CG2 3.82Å; L235-I348 HydrophobicContact CD1-CG2 3.82Å
236	V	98.4	Very high	98.6	Very high	59 Å²	59	35.9 Å²	35.9	36%	0.358	20%	0.2	S	C	.	.			trans	-124.6	113.7	173.9	-173.9	0	0	0	0	107.8	P238 R309 S310	V236-P238 CarbonylContact O-C 3.42Å; V236-P238 VanDerWaalsContact O-O 3.11Å; V236-R309 HydrophobicContact CB-CB 4.07Å; V236-R309 HydrophobicContact CG1-CB 3.87Å; V236-R309 VanDerWaalsContact CG1-NE 3.32Å; V236-S310 PolarHBondContact N-OG 3.49Å; V236-S310 PolarHBondContact O-N 3.1Å; V236-S310 PolarHBondContact O-OG 2.93Å
237	R	98.6	Very high	98.5	Very high	88 Å²	88	33.1 Å²	33.1	33%	0.332	19%	0.188	S	C	.	.	S	Bend	trans	-67.1	150.2	177.8	-74.4	-172.9	179.1	-78.5	3.9	112.2	Y239 R309 Q351 D353	R237-Y239 HydrophobicContact CG-CD1 3.86Å; R237-Y239 HydrophobicContact CG-CE1 4.27Å; R237-Y239 VanDerWaalsContact NH1-CE1 3.31Å; R237-R309 PolarHBondContact O-NE 3.38Å; R237-R309 PolarHBondContact O-NH2 3.46Å; R237-Q351 VanDerWaalsContact CZ-O 3.31Å; R237-Q351 PolarHBondContact NH1-O 3.45Å; R237-Q351 PolarHBondContact NH2-O 3.09Å; R237-D353 IonicContact NH1-OD1 3.71Å; R237-D353 IonicContact NH1-OD2 2.91Å; R237-D353 PolarHBondContact NH1-OD2 3.25Å
238	P	98.7	Very high	98.3	Very high	44 Å²	44	38.4 Å²	38.4	29%	0.286	22%	0.215	S	C	.	.	S	Bend	cis	-65.1	141.8	-8.6	-17.5	31.3	0	0	0	110.3	V236 A308 R309 D353	V236-P238 CarbonylContact O-C 3.42Å; V236-P238 VanDerWaalsContact O-O 3.11Å; P238-A308 CarbonylContact O-C 3.44Å; P238-A308 WeakPolarHBondContact O-CA 3.47Å; P238-A308 VanDerWaalsContact O-CB 3.28Å; P238-A308 WeakPolarHBondContact O-CB 3.44Å; P238-R309 PolarHBondContact O-N 3.25Å; P238-D353 VanDerWaalsContact CA-CG 3.45Å; P238-D353 WeakPolarHBondContact CA-OD2 3.39Å; P238-D353 HydrophobicContact CB-CB 3.87Å
239	Y	98.9	Very high	98	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.9	173.4	77.3	-91.7	0	0	0	112.5	I231 L235 R237 S310 I348 Q351 A352 D353 H354	I231-Y239 HydrophobicContact CG2-CE1 4.24Å; L235-Y239 HydrophobicContact CB-CD1 4.42Å; L235-Y239 HydrophobicContact CD1-CD1 4.23Å; L235-Y239 HydrophobicContact CD1-CD2 3.89Å; L235-Y239 HydrophobicContact CD1-CE1 4.12Å; L235-Y239 HydrophobicContact CD1-CE2 3.78Å; L235-Y239 HydrophobicContact CD1-CG 4.12Å; R237-Y239 HydrophobicContact CG-CD1 3.86Å; R237-Y239 HydrophobicContact CG-CE1 4.27Å; R237-Y239 VanDerWaalsContact NH1-CE1 3.31Å; Y239-S310 WeakPolarHBondContact CA-O 3.13Å; Y239-S310 WeakPolarHBondContact CB-O 3.3Å; Y239-S310 WeakPolarHBondContact CB-OG 3.38Å; Y239-I348 HydrophobicContact CE2-CG2 4.26Å; Y239-I348 PolarHBondContact OH-O 2.92Å; Y239-Q351 WeakPolarHBondContact OH-CB 3.33Å; Y239-Q351 PolarHBondContact OH-O 2.94Å; Y239-A352 HydrophobicContact CD2-CB 3.96Å; Y239-A352 VanDerWaalsContact CE2-CA 3.46Å; Y239-A352 HydrophobicContact CE2-CB 3.44Å; Y239-A352 VanDerWaalsContact CE2-CB 3.44Å; Y239-A352 WeakPolarHBondContact OH-CA 3.45Å; Y239-A352 PolarHBondContact OH-N 2.65Å; Y239-A352 VanDerWaalsContact OH-N 3.17Å; Y239-D353 PolarHBondContact N-OD2 3.16Å; Y239-D353 WeakPolarHBondContact O-CB 3.41Å; Y239-D353 PolarHBondContact O-N 3.19Å; Y239-H354 PolarHBondContact O-N 2.83Å
240	V	98.9	Very high	98	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	121.6	172.3	176.8	0	0	0	0	108.2	I242 W302 V303 A308 S310 V311 Y312 H354 I356	V240-I242 HydrophobicContact CG1-CG2 3.93Å; V240-W302 HydrophobicContact CG2-CB 4.37Å; V240-V303 HydrophobicContact CB-CG2 4.35Å; V240-V303 HydrophobicContact CG2-CG2 3.99Å; V240-A308 HydrophobicContact CG2-CB 3.84Å; V240-S310 PolarHBondContact N-O 2.88Å; V240-S310 VanDerWaalsContact N-O 3.08Å; V240-V311 CarbonylContact O-C 3.47Å; V240-V311 VanDerWaalsContact O-CA 3.26Å; V240-V311 WeakPolarHBondContact O-CA 3.5Å; V240-Y312 PolarHBondContact O-N 2.71Å; V240-H354 CarbonylContact C-O 3.57Å; V240-H354 WeakPolarHBondContact CA-O 3Å; V240-H354 HydrophobicContact CG2-CB 4.45Å; V240-I356 HydrophobicContact CG1-CD1 3.64Å; V240-I356 HydrophobicContact CG1-CG1 3.99Å
241	G	98.9	Very high	97.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	133.1	170.3	0	0	0	0	0	110.1	Y312 H354 F355 I356	G241-Y312 CarbonylContact C-O 3.56Å; G241-Y312 WeakPolarHBondContact CA-O 3.5Å; G241-H354 PolarHBondContact N-O 2.9Å; G241-F355 CarbonylContact O-C 3.41Å; G241-F355 VanDerWaalsContact O-CA 3.32Å; G241-F355 WeakPolarHBondContact O-CA 3.3Å; G241-F355 WeakPolarHBondContact O-CD2 3.02Å; G241-I356 PolarHBondContact O-N 3.03Å
242	I	98.9	Very high	97.6	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142.7	175.1	72.8	178.7	0	0	0	111.2	V240 L244 V299 V311 Y312 I313 A314 I324 L349 I356 F381	V240-I242 HydrophobicContact CG1-CG2 3.93Å; I242-L244 HydrophobicContact CD1-CD1 4.34Å; I242-L244 HydrophobicContact CD1-CD2 3.97Å; I242-L244 HydrophobicContact CD1-CG 4.13Å; I242-L244 HydrophobicContact CG1-CD2 4.39Å; I242-L244 HydrophobicContact CG1-CG 4.33Å; I242-V299 HydrophobicContact CD1-CG2 3.89Å; I242-V299 HydrophobicContact CG2-CG2 4.02Å; I242-V311 HydrophobicContact CD1-CG1 4.49Å; I242-Y312 PolarHBondContact N-O 3.33Å; I242-I313 HydrophobicContact CD1-CB 4.46Å; I242-I313 HydrophobicContact CD1-CD1 4.37Å; I242-I313 HydrophobicContact CD1-CG1 3.88Å; I242-I313 HydrophobicContact CD1-CG2 4.16Å; I242-I313 HydrophobicContact CG1-CB 4.15Å; I242-I313 HydrophobicContact CG1-CG1 3.94Å; I242-I313 HydrophobicContact CG1-CG2 4.01Å; I242-A314 PolarHBondContact O-N 2.94Å; I242-I324 HydrophobicContact CD1-CD1 3.93Å; I242-L349 WeakPolarHBondContact O-CD2 3.41Å; I242-I356 WeakPolarHBondContact CA-O 3.31Å; I242-I356 HydrophobicContact CB-CB 4.43Å; I242-I356 HydrophobicContact CG2-CB 3.9Å; I242-I356 HydrophobicContact CG2-CD1 3.76Å; I242-I356 HydrophobicContact CG2-CG1 4.11Å; I242-F381 HydrophobicContact CB-CZ 4.23Å; I242-F381 HydrophobicContact CG2-CZ 4.49Å
243	H	98.9	Very high	97.4	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.028	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	112.1	170.4	175.5	-128.7	0	0	0	110.3	A314 L349 F355 I356 S361 F363 S364	H243-A314 WeakPolarHBondContact CA-O 3.41Å; H243-L349 HydrophobicContact CB-CD1 4.1Å; H243-F355 HydrophobicContact CB-CE2 3.95Å; H243-F355 HydrophobicContact CB-CZ 4.22Å; H243-I356 PolarHBondContact N-O 2.91Å; H243-S361 PolarHBondContact CE1-OG 2.97Å; H243-F363 AromaticContact CD2-CD1 3.74Å; H243-F363 AromaticContact CE1-CD1 3.66Å; H243-F363 AromaticContact NE2-CD1 3.44Å; H243-F363 WeakPolarHBondContact NE2-CD1 3.23Å; H243-S364 PolarHBondContact ND1-OG 3.4Å
244	L	98.8	Very high	97.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	109.7	174	-57.5	-175.1	0	0	0	109	I242 I246 I295 I313 A314 T315 D316 S319 F381	I242-L244 HydrophobicContact CD1-CD1 4.34Å; I242-L244 HydrophobicContact CD1-CD2 3.97Å; I242-L244 HydrophobicContact CD1-CG 4.13Å; I242-L244 HydrophobicContact CG1-CD2 4.39Å; I242-L244 HydrophobicContact CG1-CG 4.33Å; L244-I246 HydrophobicContact CB-CD1 4.24Å; L244-I246 HydrophobicContact CB-CG1 4.27Å; L244-I246 HydrophobicContact CD1-CD1 4.39Å; L244-I295 HydrophobicContact CD2-CD1 3.91Å; L244-I295 HydrophobicContact CD2-CG1 4.13Å; L244-I295 HydrophobicContact CD2-CG2 4.19Å; L244-I313 HydrophobicContact CD1-CG2 3.67Å; L244-I313 HydrophobicContact CG-CG2 4.02Å; L244-A314 PolarHBondContact N-O 3.02Å; L244-T315 VanDerWaalsContact O-CA 3.31Å; L244-T315 WeakPolarHBondContact O-CA 3.47Å; L244-T315 PolarHBondContact O-OG1 3.06Å; L244-D316 PolarHBondContact O-N 2.97Å; L244-D316 VanDerWaalsContact O-N 3.15Å; L244-S319 WeakPolarHBondContact CD1-O 3.41Å; L244-F381 HydrophobicContact CD2-CE2 3.96Å; L244-F381 HydrophobicContact CD2-CZ 3.91Å
245	R	98.4	Very high	97	Very high	18 Å²	18	34.9 Å²	34.9	7%	0.068	17%	0.172	C	C	.	.			trans	-108.9	86.1	170.6	-170.7	76.8	-179.2	116.9	14.5	107.4	D249 W250 D316 N358	R245-D249 IonicContact CZ-OD1 3.41Å; R245-D249 IonicContact CZ-OD2 3.03Å; R245-D249 IonicContact NH1-OD1 2.73Å; R245-D249 PolarHBondContact NH1-OD1 2.94Å; R245-D249 VanDerWaalsContact NH1-OD1 3.16Å; R245-D249 IonicContact NH1-OD2 3.65Å; R245-D249 PolarHBondContact NH1-OD2 3.48Å; R245-D249 VanDerWaalsContact NH2-CG 3.31Å; R245-D249 IonicContact NH2-OD1 3.07Å; R245-D249 PolarHBondContact NH2-OD1 2.97Å; R245-D249 IonicContact NH2-OD2 3.85Å; R245-D249 PolarHBondContact NH2-OD2 3.44Å; R245-W250 HydrophobicContact CB-CG 4.49Å; R245-W250 HydrophobicContact CG-CB 4.15Å; R245-W250 HydrophobicContact CG-CD2 3.46Å; R245-W250 VanDerWaalsContact CG-CD2 3.46Å; R245-W250 HydrophobicContact CG-CE3 4.11Å; R245-W250 HydrophobicContact CG-CG 3.5Å; R245-W250 VanDerWaalsContact CG-CG 3.5Å; R245-W250 HydrophobicContact CG-CZ2 4.11Å; R245-W250 PolarHBondContact O-NE1 3.36Å; R245-D316 WeakPolarHBondContact CA-OD2 3.39Å; R245-D316 WeakPolarHBondContact CD-OD2 3.45Å; R245-D316 IonicContact CZ-OD2 3.96Å; R245-D316 VanDerWaalsContact CZ-OD2 3.3Å; R245-D316 IonicContact NE-OD2 3.47Å; R245-D316 IonicContact NH1-OD2 2.63Å; R245-D316 PolarHBondContact NH1-OD2 3.16Å; R245-N358 HydrophobicContact CB-CB 4.11Å
246	I	98.1	Very high	96.7	Very high	10 Å²	10	38.5 Å²	38.5	5%	0.051	19%	0.191	C	C	.	.			trans	-133.6	5.3	-169.6	58.6	175.8	0	0	0	113.2	L244 Q251 L289 P290 D316 E318 H320	L244-I246 HydrophobicContact CB-CD1 4.24Å; L244-I246 HydrophobicContact CB-CG1 4.27Å; L244-I246 HydrophobicContact CD1-CD1 4.39Å; I246-Q251 PolarHBondContact O-NE2 2.83Å; I246-Q251 VanDerWaalsContact O-NE2 3.16Å; I246-L289 HydrophobicContact CB-CD1 4.28Å; I246-L289 HydrophobicContact CG2-CD1 4.21Å; I246-P290 HydrophobicContact CG2-CG 4.46Å; I246-D316 PolarHBondContact N-OD1 3.06Å; I246-D316 PolarHBondContact N-OD2 2.75Å; I246-E318 HydrophobicContact CD1-CG 3.85Å; I246-H320 WeakPolarHBondContact CD1-NE2 3.23Å
247	G	96.7	Very high	96.3	Very high	5 Å²	5	37.1 Å²	37.1	5%	0.052	18%	0.182	C	C	.	.	S	Bend	trans	-64	162.2	179.2	0	0	0	0	0	113.5	D249 W250 Q251 D316 S317	G247-D249 VanDerWaalsContact C-N 3.27Å; G247-D249 PolarHBondContact O-N 3.36Å; G247-W250 WeakPolarHBondContact O-CA 3.44Å; G247-W250 WeakPolarHBondContact O-CB 3.12Å; G247-W250 PolarHBondContact O-N 2.91Å; G247-Q251 WeakPolarHBondContact O-CG 3.03Å; G247-Q251 PolarHBondContact O-N 3.29Å; G247-D316 VanDerWaalsContact N-CG 3.32Å; G247-D316 PolarHBondContact N-OD1 2.94Å; G247-D316 PolarHBondContact N-OD2 3.34Å; G247-S317 VanDerWaalsContact CA-OG 3.31Å; G247-S317 WeakPolarHBondContact CA-OG 3.45Å; G247-S317 PolarHBondContact N-OG 3.19Å
248	I	94.5	Very high	95.7	Very high	112 Å²	112	39.8 Å²	39.8	57%	0.574	20%	0.198	S	C	*	.	H	α-helix	trans	-60.2	-34.5	-174.5	-170	60.4	0	0	0	113.3	W250 Q251 N252	I248-W250 VanDerWaalsContact C-N 3.25Å; I248-W250 PolarHBondContact O-N 3.09Å; I248-Q251 PolarHBondContact O-N 2.9Å; I248-N252 PolarHBondContact O-N 3.38Å; I248-N252 PolarHBondContact O-ND2 2.87Å
249	D	92.4	Very high	94.8	Very high	69 Å²	69	40.3 Å²	40.3	37%	0.369	20%	0.202	S	C	.	.	H	α-helix	trans	-63.1	-36.5	175.2	69.1	-35.1	0	0	0	111.2	R48 R245 G247	R48-D249 IonicContact CZ-OD2 3.14Å; R48-D249 IonicContact NH1-OD2 2.69Å; R48-D249 IonicContact NH2-OD2 3.38Å; R48-D249 PolarHBondContact NH2-OD2 3.41Å; R245-D249 IonicContact CZ-OD1 3.41Å; R245-D249 IonicContact CZ-OD2 3.03Å; R245-D249 IonicContact NH1-OD1 2.73Å; R245-D249 PolarHBondContact NH1-OD1 2.94Å; R245-D249 VanDerWaalsContact NH1-OD1 3.16Å; R245-D249 IonicContact NH1-OD2 3.65Å; R245-D249 PolarHBondContact NH1-OD2 3.48Å; R245-D249 VanDerWaalsContact NH2-CG 3.31Å; R245-D249 IonicContact NH2-OD1 3.07Å; R245-D249 PolarHBondContact NH2-OD1 2.97Å; R245-D249 IonicContact NH2-OD2 3.85Å; R245-D249 PolarHBondContact NH2-OD2 3.44Å; G247-D249 VanDerWaalsContact C-N 3.27Å; G247-D249 PolarHBondContact O-N 3.36Å
250	W	96.9	Very high	93.6	Very high	16 Å²	16	48.2 Å²	48.2	6%	0.061	25%	0.245	C	C	.	.	H	α-helix	trans	-77	-35.2	177.8	-162.3	-113.5	0	0	0	113.7	R245 G247 I248 N252 A253 C254 M267 C288 V360	R245-W250 HydrophobicContact CB-CG 4.49Å; R245-W250 HydrophobicContact CG-CB 4.15Å; R245-W250 HydrophobicContact CG-CD2 3.46Å; R245-W250 VanDerWaalsContact CG-CD2 3.46Å; R245-W250 HydrophobicContact CG-CE3 4.11Å; R245-W250 HydrophobicContact CG-CG 3.5Å; R245-W250 VanDerWaalsContact CG-CG 3.5Å; R245-W250 HydrophobicContact CG-CZ2 4.11Å; R245-W250 PolarHBondContact O-NE1 3.36Å; G247-W250 WeakPolarHBondContact O-CA 3.44Å; G247-W250 WeakPolarHBondContact O-CB 3.12Å; G247-W250 PolarHBondContact O-N 2.91Å; I248-W250 VanDerWaalsContact C-N 3.25Å; I248-W250 PolarHBondContact O-N 3.09Å; W250-N252 VanDerWaalsContact C-N 3.26Å; W250-N252 PolarHBondContact O-N 3.35Å; W250-A253 HydrophobicContact CE3-CB 4.21Å; W250-A253 WeakPolarHBondContact O-CB 3.21Å; W250-A253 PolarHBondContact O-N 3Å; W250-C254 VanDerWaalsContact CD1-SG 3.59Å; W250-C254 PolarHBondContact NE1-SG 3.23Å; W250-C254 VanDerWaalsContact NE1-SG 3.37Å; W250-C254 PolarHBondContact O-N 3.45Å; W250-M267 HydrophobicContact CH2-SD 3.58Å; W250-M267 VanDerWaalsContact CH2-SD 3.58Å; W250-M267 HydrophobicContact CZ3-CE 4.18Å; W250-M267 HydrophobicContact CZ3-SD 3.55Å; W250-M267 VanDerWaalsContact CZ3-SD 3.55Å; W250-C288 PolarHBondContact NE1-O 3.29Å; W250-V360 HydrophobicContact CH2-CB 4.33Å; W250-V360 HydrophobicContact CH2-CG1 3.83Å; W250-V360 HydrophobicContact CZ2-CB 3.73Å; W250-V360 HydrophobicContact CZ2-CG1 3.62Å
251	Q	95.6	Very high	92.8	Very high	69 Å²	69	55.7 Å²	55.7	32%	0.322	29%	0.285	S	S	.	.	H	α-helix	trans	-56.6	-43.5	174.4	-66.4	176.4	23.9	0	0	111	I246 G247 I248 A253 C254 R255 L289	I246-Q251 PolarHBondContact O-NE2 2.83Å; I246-Q251 VanDerWaalsContact O-NE2 3.16Å; G247-Q251 WeakPolarHBondContact O-CG 3.03Å; G247-Q251 PolarHBondContact O-N 3.29Å; I248-Q251 PolarHBondContact O-N 2.9Å; Q251-A253 VanDerWaalsContact C-N 3.31Å; Q251-A253 PolarHBondContact O-N 3.27Å; Q251-C254 PolarHBondContact O-N 3.43Å; Q251-R255 WeakPolarHBondContact O-CG 3.44Å; Q251-R255 PolarHBondContact O-N 3.17Å; Q251-L289 HydrophobicContact CB-CD2 4.39Å; Q251-L289 HydrophobicContact CG-CD1 3.95Å; Q251-L289 HydrophobicContact CG-CD2 3.91Å
252	N	93.9	Very high	92.2	Very high	82 Å²	82	57.4 Å²	57.4	44%	0.439	30%	0.295	S	S	.	.	H	α-helix	trans	-61.1	-39.1	175.6	-67.6	-30	0	0	0	112.5	I248 W250 R255	I248-N252 PolarHBondContact O-N 3.38Å; I248-N252 PolarHBondContact O-ND2 2.87Å; W250-N252 VanDerWaalsContact C-N 3.26Å; W250-N252 PolarHBondContact O-N 3.35Å; N252-R255 PolarHBondContact OD1-NH1 2.88Å; N252-R255 PolarHBondContact OD1-NH2 3.42Å
253	A	93.9	Very high	91.8	Very high	15 Å²	15	59.2 Å²	59.2	12%	0.124	31%	0.314	C	S	.	.	H	α-helix	trans	-66.2	-45.6	176	0	0	0	0	0	111.6	W250 Q251 R255 L256 F266 M267	W250-A253 HydrophobicContact CE3-CB 4.21Å; W250-A253 WeakPolarHBondContact O-CB 3.21Å; W250-A253 PolarHBondContact O-N 3Å; Q251-A253 VanDerWaalsContact C-N 3.31Å; Q251-A253 PolarHBondContact O-N 3.27Å; A253-R255 VanDerWaalsContact C-N 3.32Å; A253-R255 PolarHBondContact O-N 2.84Å; A253-L256 WeakPolarHBondContact O-CB 3.44Å; A253-L256 PolarHBondContact O-N 3.31Å; A253-F266 HydrophobicContact CB-CZ 4.42Å; A253-F266 VanDerWaalsContact O-CZ 3.3Å; A253-F266 WeakPolarHBondContact O-CZ 3.31Å; A253-M267 HydrophobicContact CB-CE 3.77Å
254	C	95.9	Very high	91.5	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.007	32%	0.323	C	S	.	.	H	α-helix	trans	-69.8	-24.6	-179.2	-66.9	0	0	0	0	113.6	W250 Q251 L256 L257 M285 C288 L289	W250-C254 VanDerWaalsContact CD1-SG 3.59Å; W250-C254 PolarHBondContact NE1-SG 3.23Å; W250-C254 VanDerWaalsContact NE1-SG 3.37Å; W250-C254 PolarHBondContact O-N 3.45Å; Q251-C254 PolarHBondContact O-N 3.43Å; C254-L256 PolarHBondContact O-N 3.3Å; C254-L256 VanDerWaalsContact O-N 3.12Å; C254-L257 WeakPolarHBondContact O-CB 3.49Å; C254-L257 PolarHBondContact O-N 3.3Å; C254-M285 HydrophobicContact CB-SD 4.13Å; C254-M285 WeakPolarHBondContact O-CE 3.45Å; C254-C288 WeakPolarHBondContact CA-SG 3.45Å; C254-C288 HydrophobicContact CB-CB 3.93Å; C254-C288 WeakPolarHBondContact CB-SG 3.48Å; C254-C288 WeakPolarHBondContact SG-CB 3.23Å; C254-C288 PolarHBondContact SG-O 3.46Å; C254-C288 VanDerWaalsContact SG-O 3.36Å; C254-C288 CovalentContact SG-SG 2.04Å; C254-C288 PolarHBondContact SG-SG 3.42Å; C254-L289 HydrophobicContact CB-CB 3.95Å
255	R	93.8	Very high	91.4	Very high	123 Å²	123	62.7 Å²	62.7	46%	0.464	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-56.7	-25.1	171.8	-76.5	-176.6	-151.6	140	11.3	113.1	Q251 N252 A253 L257 E258	Q251-R255 WeakPolarHBondContact O-CG 3.44Å; Q251-R255 PolarHBondContact O-N 3.17Å; N252-R255 PolarHBondContact OD1-NH1 2.88Å; N252-R255 PolarHBondContact OD1-NH2 3.42Å; A253-R255 VanDerWaalsContact C-N 3.32Å; A253-R255 PolarHBondContact O-N 2.84Å; R255-L257 PolarHBondContact O-N 3.05Å; R255-E258 VanDerWaalsContact O-CB 3.25Å; R255-E258 WeakPolarHBondContact O-CB 3.28Å; R255-E258 WeakPolarHBondContact O-CG 3.25Å; R255-E258 PolarHBondContact O-N 3.47Å
256	L	91	Very high	91.3	Very high	92 Å²	92	63 Å²	63	48%	0.482	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-63.6	-23.1	173.9	-61.2	176.9	0	0	0	112.5	A253 C254 E258 S259 T262 F266	A253-L256 WeakPolarHBondContact O-CB 3.44Å; A253-L256 PolarHBondContact O-N 3.31Å; C254-L256 PolarHBondContact O-N 3.3Å; C254-L256 VanDerWaalsContact O-N 3.12Å; L256-E258 PolarHBondContact O-N 2.82Å; L256-S259 PolarHBondContact O-N 3.45Å; L256-S259 PolarHBondContact O-OG 2.99Å; L256-T262 WeakPolarHBondContact O-CB 3.4Å; L256-T262 PolarHBondContact O-OG1 2.8Å; L256-F266 HydrophobicContact CB-CE2 4.46Å; L256-F266 HydrophobicContact CB-CZ 4.36Å; L256-F266 HydrophobicContact CD1-CE2 4.02Å; L256-F266 HydrophobicContact CD1-CZ 4.08Å
257	L	90.1	Very high	91.3	Very high	30 Å²	30	65.7 Å²	65.7	16%	0.157	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-77.2	-8.1	173.3	-63.3	172.6	0	0	0	113.3	C254 R255 S259 T262 F266 L283 M285 C288	C254-L257 WeakPolarHBondContact O-CB 3.49Å; C254-L257 PolarHBondContact O-N 3.3Å; R255-L257 PolarHBondContact O-N 3.05Å; L257-S259 VanDerWaalsContact C-N 3.26Å; L257-T262 HydrophobicContact CD2-CG2 3.48Å; L257-T262 VanDerWaalsContact CD2-CG2 3.48Å; L257-T262 HydrophobicContact CG-CG2 4.44Å; L257-F266 HydrophobicContact CD1-CD1 4.28Å; L257-F266 HydrophobicContact CD2-CB 4.18Å; L257-F266 HydrophobicContact CD2-CD1 4.11Å; L257-F266 HydrophobicContact CD2-CG 4.24Å; L257-F266 HydrophobicContact CG-CD1 4.17Å; L257-L283 HydrophobicContact CD1-CD2 3.9Å; L257-L283 HydrophobicContact CD1-CG 4.26Å; L257-L283 HydrophobicContact CD2-CD2 3.79Å; L257-L283 HydrophobicContact CD2-CG 4.47Å; L257-M285 HydrophobicContact CB-CE 3.92Å; L257-M285 HydrophobicContact CB-SD 4.43Å; L257-C288 HydrophobicContact CD1-CB 3.31Å; L257-C288 VanDerWaalsContact CD1-SG 3.55Å
258	E	86.3	Confident	91.4	Very high	144 Å²	144	65.5 Å²	65.5	67%	0.673	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-75.8	-19.6	171.8	-58.3	176.4	175.6	0	0	111.4	R255 L256 M285	R255-E258 VanDerWaalsContact O-CB 3.25Å; R255-E258 WeakPolarHBondContact O-CB 3.28Å; R255-E258 WeakPolarHBondContact O-CG 3.25Å; R255-E258 PolarHBondContact O-N 3.47Å; L256-E258 PolarHBondContact O-N 2.82Å; E258-M285 HydrophobicContact CB-CE 4.5Å; E258-M285 HydrophobicContact CG-CE 3.37Å
259	S	79.7	Confident	91.5	Very high	54 Å²	54	60.2 Å²	60.2	38%	0.378	32%	0.319	S	S	.	.	S	Bend	trans	-89.8	136.4	170.5	67.2	0	0	0	0	111	L256 L257 D261 T262	L256-S259 PolarHBondContact O-N 3.45Å; L256-S259 PolarHBondContact O-OG 2.99Å; L257-S259 VanDerWaalsContact C-N 3.26Å; S259-D261 PolarHBondContact O-N 3.18Å; S259-T262 PolarHBondContact O-N 3.35Å
260	D	73.3	Confident	91.8	Very high	166 Å²	166	57.4 Å²	57.4	89%	0.888	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-12.2	-178.2	-70.7	-35.5	0	0	0	114
261	D	83.1	Confident	91.9	Very high	157 Å²	157	58.3 Å²	58.3	84%	0.84	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-14.1	-175.1	-64.3	-34.5	0	0	0	115.4	S259 G263	S259-D261 PolarHBondContact O-N 3.18Å; D261-G263 PolarHBondContact O-N 3.4Å
262	T	86.3	Confident	91.9	Very high	36 Å²	36	56.7 Å²	56.7	22%	0.221	31%	0.305	C	S	.	.	S	Bend	trans	-73.8	-29.5	-174.3	-65	0	0	0	0	112.5	L256 L257 S259 F266	L256-T262 WeakPolarHBondContact O-CB 3.4Å; L256-T262 PolarHBondContact O-OG1 2.8Å; L257-T262 HydrophobicContact CD2-CG2 3.48Å; L257-T262 VanDerWaalsContact CD2-CG2 3.48Å; L257-T262 HydrophobicContact CG-CG2 4.44Å; S259-T262 PolarHBondContact O-N 3.35Å; T262-F266 HydrophobicContact CG2-CB 3.87Å; T262-F266 HydrophobicContact CG2-CD2 3.61Å; T262-F266 HydrophobicContact CG2-CE2 4.31Å; T262-F266 HydrophobicContact CG2-CG 3.79Å
263	G	90.4	Very high	92.1	Very high	38 Å²	38	53.1 Å²	53.1	39%	0.392	29%	0.286	S	S	.	.			trans	63.5	-170.4	179.6	0	0	0	0	0	114.2	D261	D261-G263 PolarHBondContact O-N 3.4Å
264	P	93	Very high	92.2	Very high	33 Å²	33	53.9 Å²	53.9	21%	0.214	30%	0.296	C	S	.	.	S	Bend	trans	-78.5	-20.4	-173.6	31.4	-36.4	0	0	0	113.8	S269 V273 A280 P281	P264-S269 PolarHBondContact O-OG 3.31Å; P264-V273 HydrophobicContact CB-CG2 4.32Å; P264-V273 WeakPolarHBondContact O-CG2 3.27Å; P264-A280 HydrophobicContact CB-CB 3.92Å; P264-A280 HydrophobicContact CG-CB 3.78Å; P264-P281 WeakPolarHBondContact CB-O 3.39Å
265	H	95.9	Very high	92.2	Very high	46 Å²	46	57 Å²	57	21%	0.213	31%	0.307	C	S	.	.			trans	-98.9	91.3	-176.8	-75.8	-177.3	0	0	0	111.4	S269 G274 Y275 R277	H265-S269 WeakPolarHBondContact CA-OG 3.43Å; H265-G274 PolarHBondContact NE2-O 3.18Å; H265-Y275 PolarHBondContact CE1-O 2.96Å; H265-R277 WeakPolarHBondContact CE1-CG 3.5Å; H265-R277 WeakPolarHBondContact ND1-CG 3.38Å
266	F	96.6	Very high	92.3	Very high	26 Å²	26	54.9 Å²	54.9	11%	0.114	31%	0.306	C	S	.	.			trans	-131.6	121.3	-179.9	-176.4	-119.3	0	0	0	110.2	A253 L256 L257 T262 A268 S269 L283 V360	A253-F266 HydrophobicContact CB-CZ 4.42Å; A253-F266 VanDerWaalsContact O-CZ 3.3Å; A253-F266 WeakPolarHBondContact O-CZ 3.31Å; L256-F266 HydrophobicContact CB-CE2 4.46Å; L256-F266 HydrophobicContact CB-CZ 4.36Å; L256-F266 HydrophobicContact CD1-CE2 4.02Å; L256-F266 HydrophobicContact CD1-CZ 4.08Å; L257-F266 HydrophobicContact CD1-CD1 4.28Å; L257-F266 HydrophobicContact CD2-CB 4.18Å; L257-F266 HydrophobicContact CD2-CD1 4.11Å; L257-F266 HydrophobicContact CD2-CG 4.24Å; L257-F266 HydrophobicContact CG-CD1 4.17Å; T262-F266 HydrophobicContact CG2-CB 3.87Å; T262-F266 HydrophobicContact CG2-CD2 3.61Å; T262-F266 HydrophobicContact CG2-CE2 4.31Å; T262-F266 HydrophobicContact CG2-CG 3.79Å; F266-A268 PolarHBondContact O-N 3.18Å; F266-S269 PolarHBondContact N-OG 3.09Å; F266-S269 VanDerWaalsContact O-CB 3.25Å; F266-S269 WeakPolarHBondContact O-CB 3.31Å; F266-S269 PolarHBondContact O-N 3.37Å; F266-S269 PolarHBondContact O-OG 3.15Å; F266-L283 HydrophobicContact CB-CD2 3.92Å; F266-V360 HydrophobicContact CD1-CG1 3.44Å; F266-V360 VanDerWaalsContact CD1-CG1 3.44Å; F266-V360 HydrophobicContact CE1-CG1 3.78Å; F266-V360 HydrophobicContact CG-CG1 4.42Å
267	M	97.4	Very high	92.4	Very high	65 Å²	65	60.2 Å²	60.2	32%	0.32	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	-119.2	-173.3	-54.4	-158.6	-174.4	0	0	112.4	F204 P205 W250 A253 S269 V360	F204-M267 HydrophobicContact CE1-CB 4.18Å; F204-M267 HydrophobicContact CZ-CB 4.36Å; P205-M267 VanDerWaalsContact CD-O 3.28Å; P205-M267 WeakPolarHBondContact CD-O 3.07Å; P205-M267 VanDerWaalsContact CG-O 3.25Å; P205-M267 WeakPolarHBondContact CG-O 3.14Å; W250-M267 HydrophobicContact CH2-SD 3.58Å; W250-M267 VanDerWaalsContact CH2-SD 3.58Å; W250-M267 HydrophobicContact CZ3-CE 4.18Å; W250-M267 HydrophobicContact CZ3-SD 3.55Å; W250-M267 VanDerWaalsContact CZ3-SD 3.55Å; A253-M267 HydrophobicContact CB-CE 3.77Å; M267-S269 VanDerWaalsContact C-N 3.34Å; M267-V360 HydrophobicContact CB-CG1 3.79Å; M267-V360 VanDerWaalsContact CB-O 3.31Å; M267-V360 WeakPolarHBondContact CB-O 3.42Å; M267-V360 HydrophobicContact CG-CG1 4.1Å; M267-V360 HydrophobicContact SD-CG1 4.43Å
268	A	98.4	Very high	92.4	Very high	2 Å²	2	67.4 Å²	67.4	2%	0.017	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	10.9	-177.8	0	0	0	0	0	114.3	F266 P270 Q271 C359 V360 A365	F266-A268 PolarHBondContact O-N 3.18Å; A268-P270 VanDerWaalsContact C-N 3.28Å; A268-P270 WeakPolarHBondContact O-CD 3.49Å; A268-P270 VanDerWaalsContact O-N 3.13Å; A268-Q271 VanDerWaalsContact O-CG 3.25Å; A268-Q271 WeakPolarHBondContact O-CG 3.1Å; A268-Q271 PolarHBondContact O-N 3.13Å; A268-Q271 PolarHBondContact O-NE2 3.22Å; A268-C359 CarbonylContact C-O 3.56Å; A268-C359 VanDerWaalsContact C-O 3.28Å; A268-V360 WeakPolarHBondContact CB-O 3.49Å; A268-V360 PolarHBondContact N-O 3.32Å; A268-A365 HydrophobicContact CB-CB 4.16Å
269	S	98.2	Very high	92.8	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-26.6	-178.1	73.9	0	0	0	0	116.6	P264 H265 F266 M267 Q271 C272 V273 C359	P264-S269 PolarHBondContact O-OG 3.31Å; H265-S269 WeakPolarHBondContact CA-OG 3.43Å; F266-S269 PolarHBondContact N-OG 3.09Å; F266-S269 VanDerWaalsContact O-CB 3.25Å; F266-S269 WeakPolarHBondContact O-CB 3.31Å; F266-S269 PolarHBondContact O-N 3.37Å; F266-S269 PolarHBondContact O-OG 3.15Å; M267-S269 VanDerWaalsContact C-N 3.34Å; S269-Q271 PolarHBondContact O-N 3.01Å; S269-C272 PolarHBondContact O-N 2.89Å; S269-V273 WeakPolarHBondContact O-CG2 3.21Å; S269-V273 PolarHBondContact O-N 3.4Å; S269-C359 WeakPolarHBondContact CA-O 3.21Å; S269-C359 PolarHBondContact N-O 3.29Å
270	P	98.1	Very high	93.5	Very high	10 Å²	10	63.7 Å²	63.7	7%	0.065	34%	0.339	C	S	.	.	H	α-helix	trans	-53.7	-22.2	175.3	-31	39.2	0	0	0	114.6	P205 A268 C272 G274 Y275	P205-P270 HydrophobicContact CG-CG 3.92Å; A268-P270 VanDerWaalsContact C-N 3.28Å; A268-P270 WeakPolarHBondContact O-CD 3.49Å; A268-P270 VanDerWaalsContact O-N 3.13Å; P270-C272 PolarHBondContact O-N 3.45Å; P270-G274 CarbonylContact O-C 3.39Å; P270-G274 WeakPolarHBondContact O-CA 3.26Å; P270-G274 PolarHBondContact O-N 2.68Å; P270-Y275 HydrophobicContact CB-CD1 3.87Å; P270-Y275 HydrophobicContact CB-CD2 4.19Å; P270-Y275 HydrophobicContact CB-CE1 3.86Å; P270-Y275 HydrophobicContact CB-CE2 4.18Å; P270-Y275 HydrophobicContact CB-CG 4.05Å
271	Q	97.8	Very high	94.4	Very high	36 Å²	36	58.8 Å²	58.8	17%	0.168	32%	0.316	C	S	.	.	H	α-helix	trans	-63.5	-16.7	173.9	78.2	-174.8	-61.8	0	0	114.4	A268 S269 C359 S361 F380	A268-Q271 VanDerWaalsContact O-CG 3.25Å; A268-Q271 WeakPolarHBondContact O-CG 3.1Å; A268-Q271 PolarHBondContact O-N 3.13Å; A268-Q271 PolarHBondContact O-NE2 3.22Å; S269-Q271 PolarHBondContact O-N 3.01Å; Q271-C359 PolarHBondContact NE2-O 3.29Å; Q271-S361 PolarHBondContact NE2-O 3.3Å; Q271-F380 HydrophobicContact CB-CZ 4.46Å; Q271-F380 HydrophobicContact CG-CE1 3.95Å; Q271-F380 HydrophobicContact CG-CE2 4.47Å; Q271-F380 HydrophobicContact CG-CZ 3.7Å
272	C	97	Very high	94.9	Very high	34 Å²	34	56.7 Å²	56.7	23%	0.23	31%	0.311	C	S	.	.	H	α-helix	trans	-118.2	-41.7	175.4	-28.2	0	0	0	0	112.7	S269 P270 G274 C359 F380 F383	S269-C272 PolarHBondContact O-N 2.89Å; P270-C272 PolarHBondContact O-N 3.45Å; C272-G274 VanDerWaalsContact C-N 3.34Å; C272-C359 HydrophobicContact CB-CB 4.22Å; C272-C359 WeakPolarHBondContact CB-SG 3.49Å; C272-C359 WeakPolarHBondContact SG-CA 3.43Å; C272-C359 WeakPolarHBondContact SG-CB 3.42Å; C272-C359 CovalentContact SG-SG 2.02Å; C272-C359 PolarHBondContact SG-SG 3.23Å; C272-F380 HydrophobicContact CB-CD2 4.17Å; C272-F380 HydrophobicContact CB-CE2 4.41Å; C272-F380 VanDerWaalsContact SG-CD2 3.54Å; C272-F380 VanDerWaalsContact SG-CG 3.57Å; C272-F383 HydrophobicContact CB-CD2 3.94Å; C272-F383 HydrophobicContact CB-CE2 3.64Å; C272-F383 HydrophobicContact CB-CG 4.48Å; C272-F383 HydrophobicContact CB-CZ 3.96Å
273	V	96.8	Very high	95.3	Very high	8 Å²	8	55.9 Å²	55.9	5%	0.048	31%	0.305	C	S	.	.	H	α-helix	trans	-87.7	-5.7	-177.3	-54.5	0	0	0	0	112.8	P264 S269 A280 P281 L283 F383	P264-V273 HydrophobicContact CB-CG2 4.32Å; P264-V273 WeakPolarHBondContact O-CG2 3.27Å; S269-V273 WeakPolarHBondContact O-CG2 3.21Å; S269-V273 PolarHBondContact O-N 3.4Å; V273-A280 HydrophobicContact CB-CB 4.17Å; V273-A280 HydrophobicContact CG2-CB 4.03Å; V273-A280 WeakPolarHBondContact O-CA 3.36Å; V273-A280 WeakPolarHBondContact O-CB 3.28Å; V273-P281 HydrophobicContact CB-CG 4.14Å; V273-P281 HydrophobicContact CG1-CG 4.32Å; V273-P281 VanDerWaalsContact O-CD 3.24Å; V273-P281 WeakPolarHBondContact O-CD 3.39Å; V273-L283 HydrophobicContact CG1-CD1 4.35Å; V273-F383 HydrophobicContact CG1-CE1 4.29Å; V273-F383 HydrophobicContact CG1-CZ 3.69Å
274	G	97	Very high	95.4	Very high	31 Å²	31	56.1 Å²	56.1	32%	0.32	30%	0.3	S	S	.	.			trans	82	162.8	-176.6	0	0	0	0	0	113.5	H265 P270 C272	H265-G274 PolarHBondContact NE2-O 3.18Å; P270-G274 CarbonylContact O-C 3.39Å; P270-G274 WeakPolarHBondContact O-CA 3.26Å; P270-G274 PolarHBondContact O-N 2.68Å; C272-G274 VanDerWaalsContact C-N 3.34Å
275	Y	96.7	Very high	95.5	Very high	65 Å²	65	57.7 Å²	57.7	26%	0.255	31%	0.305	S	S	.	.	S	Bend	trans	-85.6	-15	-173.1	-77.9	-92.4	0	0	0	114.5	V206 E208 V211 H265 P270 R277	V206-Y275 WeakPolarHBondContact O-CE1 3.44Å; V206-Y275 PolarHBondContact O-OH 3.37Å; E208-Y275 HydrophobicContact CB-CD1 4.02Å; E208-Y275 HydrophobicContact CB-CD2 3.66Å; E208-Y275 HydrophobicContact CB-CE1 4.23Å; E208-Y275 HydrophobicContact CB-CE2 3.91Å; E208-Y275 HydrophobicContact CB-CG 3.71Å; E208-Y275 HydrophobicContact CG-CD2 3.75Å; E208-Y275 HydrophobicContact CG-CE2 4.03Å; E208-Y275 HydrophobicContact CG-CG 4.25Å; V211-Y275 HydrophobicContact CG2-CE2 4.42Å; V211-Y275 VanDerWaalsContact CG2-OH 3.32Å; V211-Y275 WeakPolarHBondContact CG2-OH 3.37Å; H265-Y275 PolarHBondContact CE1-O 2.96Å; P270-Y275 HydrophobicContact CB-CD1 3.87Å; P270-Y275 HydrophobicContact CB-CD2 4.19Å; P270-Y275 HydrophobicContact CB-CE1 3.86Å; P270-Y275 HydrophobicContact CB-CE2 4.18Å; P270-Y275 HydrophobicContact CB-CG 4.05Å; Y275-R277 PolarHBondContact O-N 3.43Å
276	N	95.6	Very high	95.5	Very high	80 Å²	80	57.4 Å²	57.4	43%	0.428	31%	0.309	S	S	.	.			trans	-82.2	109.7	177.6	-176.5	-13.4	0	0	0	111.1	Q278 T279 A280	N276-Q278 PolarHBondContact O-N 3.07Å; N276-Q278 WeakPolarHBondContact OD1-CB 3.24Å; N276-Q278 PolarHBondContact OD1-N 3.38Å; N276-T279 WeakPolarHBondContact CB-OG1 3.06Å; N276-T279 PolarHBondContact O-N 3.47Å; N276-A280 WeakPolarHBondContact O-CB 3.14Å; N276-A280 PolarHBondContact O-N 3.16Å
277	R	91.9	Very high	95.5	Very high	204 Å²	204	56.2 Å²	56.2	77%	0.77	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-31.3	178.5	-79.6	179.1	-178.4	-157.8	2.8	114.4	H265 Y275	H265-R277 WeakPolarHBondContact CE1-CG 3.5Å; H265-R277 WeakPolarHBondContact ND1-CG 3.38Å; Y275-R277 PolarHBondContact O-N 3.43Å
278	Q	91.5	Very high	95.5	Very high	181 Å²	181	53.1 Å²	53.1	85%	0.846	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-24.9	-175.1	-60.9	176.9	2.5	0	0	112.5	N276	N276-Q278 PolarHBondContact O-N 3.07Å; N276-Q278 WeakPolarHBondContact OD1-CB 3.24Å; N276-Q278 PolarHBondContact OD1-N 3.38Å
279	T	93.6	Very high	95.5	Very high	103 Å²	103	55.4 Å²	55.4	63%	0.632	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	-2.2	-174.4	64.8	0	0	0	0	113.3	N276	N276-T279 WeakPolarHBondContact CB-OG1 3.06Å; N276-T279 PolarHBondContact O-N 3.47Å
280	A	94.2	Very high	95.5	Very high	16 Å²	16	55.7 Å²	55.7	13%	0.132	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-64.4	124.5	-178.8	0	0	0	0	0	110.5	P264 V273 N276	P264-A280 HydrophobicContact CB-CB 3.92Å; P264-A280 HydrophobicContact CG-CB 3.78Å; V273-A280 HydrophobicContact CB-CB 4.17Å; V273-A280 HydrophobicContact CG2-CB 4.03Å; V273-A280 WeakPolarHBondContact O-CA 3.36Å; V273-A280 WeakPolarHBondContact O-CB 3.28Å; N276-A280 WeakPolarHBondContact O-CB 3.14Å; N276-A280 PolarHBondContact O-N 3.16Å
281	P	93.2	Very high	95.4	Very high	64 Å²	64	60.1 Å²	60.1	42%	0.416	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-65.8	158.7	175.9	29.4	-35.3	0	0	0	110.8	P264 V273	P264-P281 WeakPolarHBondContact CB-O 3.39Å; V273-P281 HydrophobicContact CB-CG 4.14Å; V273-P281 HydrophobicContact CG1-CG 4.32Å; V273-P281 VanDerWaalsContact O-CD 3.24Å; V273-P281 WeakPolarHBondContact O-CD 3.39Å
282	P	92.7	Very high	95.4	Very high	113 Å²	113	61.4 Å²	61.4	73%	0.734	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-53	142.1	175.7	-25.6	34.3	0	0	0	112.3	P284	P282-P284 VanDerWaalsContact O-CD 3.25Å; P282-P284 WeakPolarHBondContact O-CD 3.43Å
283	L	94.7	Very high	95.5	Very high	18 Å²	18	67.9 Å²	67.9	9%	0.094	36%	0.356	C	S	.	.			trans	-88.7	106.9	175.8	177.7	63.4	0	0	0	109.3	L257 F266 V273 A287 V360 F383	L257-L283 HydrophobicContact CD1-CD2 3.9Å; L257-L283 HydrophobicContact CD1-CG 4.26Å; L257-L283 HydrophobicContact CD2-CD2 3.79Å; L257-L283 HydrophobicContact CD2-CG 4.47Å; F266-L283 HydrophobicContact CB-CD2 3.92Å; V273-L283 HydrophobicContact CG1-CD1 4.35Å; L283-A287 HydrophobicContact CD1-CB 4.03Å; L283-V360 HydrophobicContact CD1-CG2 4.09Å; L283-V360 HydrophobicContact CD2-CG2 3.75Å; L283-V360 HydrophobicContact CG-CG2 4.38Å; L283-F383 HydrophobicContact CD1-CE2 4.22Å; L283-F383 HydrophobicContact CD1-CZ 4.27Å
284	P	94	Very high	95.5	Very high	43 Å²	43	68.4 Å²	68.4	28%	0.279	36%	0.359	S	S	.	.			trans	-70.9	146.2	-178.6	28.9	-33.9	0	0	0	111.1	P282 S286 A287 F383	P282-P284 VanDerWaalsContact O-CD 3.25Å; P282-P284 WeakPolarHBondContact O-CD 3.43Å; P284-S286 PolarHBondContact O-N 3.12Å; P284-S286 VanDerWaalsContact O-N 3.15Å; P284-A287 HydrophobicContact CG-CB 3.8Å; P284-A287 WeakPolarHBondContact O-CB 3.46Å; P284-A287 PolarHBondContact O-N 3Å; P284-F383 HydrophobicContact CG-CE2 4.43Å; P284-F383 HydrophobicContact CG-CZ 4.33Å
285	M	95	Very high	95.6	Very high	66 Å²	66	67 Å²	67	33%	0.325	34%	0.343	S	S	.	.	H	α-helix	trans	-54.1	-37.5	177.1	-179.3	58.9	82.1	0	0	112.3	C254 L257 E258 A287 C288 L289	C254-M285 HydrophobicContact CB-SD 4.13Å; C254-M285 WeakPolarHBondContact O-CE 3.45Å; L257-M285 HydrophobicContact CB-CE 3.92Å; L257-M285 HydrophobicContact CB-SD 4.43Å; E258-M285 HydrophobicContact CB-CE 4.5Å; E258-M285 HydrophobicContact CG-CE 3.37Å; M285-A287 PolarHBondContact O-N 2.96Å; M285-C288 PolarHBondContact O-N 3.04Å; M285-L289 PolarHBondContact O-N 3.06Å
286	S	95.7	Very high	95.7	Very high	41 Å²	41	64.8 Å²	64.8	29%	0.287	34%	0.338	S	S	.	.	H	α-helix	trans	-64.5	-18.7	177.3	55.4	0	0	0	0	114.4	P284 P290 G382	P284-S286 PolarHBondContact O-N 3.12Å; P284-S286 VanDerWaalsContact O-N 3.15Å; S286-P290 WeakPolarHBondContact O-CA 3.41Å; S286-P290 WeakPolarHBondContact O-CB 3.34Å; S286-G382 WeakPolarHBondContact OG-CA 3.23Å
287	A	96.5	Very high	95.7	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-84.1	-19.4	172.2	0	0	0	0	0	113.3	L283 P284 M285 C359 F381 F383	L283-A287 HydrophobicContact CD1-CB 4.03Å; P284-A287 HydrophobicContact CG-CB 3.8Å; P284-A287 WeakPolarHBondContact O-CB 3.46Å; P284-A287 PolarHBondContact O-N 3Å; M285-A287 PolarHBondContact O-N 2.96Å; A287-C359 HydrophobicContact CB-CB 3.91Å; A287-C359 PolarHBondContact O-N 3.39Å; A287-F381 VanDerWaalsContact CA-O 3.29Å; A287-F381 WeakPolarHBondContact CA-O 3.46Å; A287-F381 WeakPolarHBondContact CB-O 3.3Å; A287-F383 HydrophobicContact CB-CD2 3.76Å; A287-F383 HydrophobicContact CB-CE2 3.42Å; A287-F383 VanDerWaalsContact CB-CE2 3.42Å; A287-F383 HydrophobicContact CB-CZ 4.39Å
288	C	97.6	Very high	96	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-90.3	-49.3	172.1	-164.4	0	0	0	0	111.8	W250 C254 L257 M285 N358 V360	W250-C288 PolarHBondContact NE1-O 3.29Å; C254-C288 WeakPolarHBondContact CA-SG 3.45Å; C254-C288 HydrophobicContact CB-CB 3.93Å; C254-C288 WeakPolarHBondContact CB-SG 3.48Å; C254-C288 WeakPolarHBondContact SG-CB 3.23Å; C254-C288 PolarHBondContact SG-O 3.46Å; C254-C288 VanDerWaalsContact SG-O 3.36Å; C254-C288 CovalentContact SG-SG 2.04Å; C254-C288 PolarHBondContact SG-SG 3.42Å; L257-C288 HydrophobicContact CD1-CB 3.31Å; L257-C288 VanDerWaalsContact CD1-SG 3.55Å; M285-C288 PolarHBondContact O-N 3.04Å; C288-N358 PolarHBondContact O-ND2 3.03Å; C288-V360 HydrophobicContact CB-CB 4.47Å; C288-V360 HydrophobicContact CB-CG2 3.79Å
289	L	97.9	Very high	96.3	Very high	51 Å²	51	46.5 Å²	46.5	27%	0.267	26%	0.255	S	S	.	.	S	Bend	trans	-137.6	81.4	-175.2	-168.1	72.8	0	0	0	110.3	I246 Q251 C254 M285 N291	I246-L289 HydrophobicContact CB-CD1 4.28Å; I246-L289 HydrophobicContact CG2-CD1 4.21Å; Q251-L289 HydrophobicContact CB-CD2 4.39Å; Q251-L289 HydrophobicContact CG-CD1 3.95Å; Q251-L289 HydrophobicContact CG-CD2 3.91Å; C254-L289 HydrophobicContact CB-CB 3.95Å; M285-L289 PolarHBondContact O-N 3.06Å; L289-N291 PolarHBondContact O-N 3.2Å
290	P	97.8	Very high	96.5	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.032	24%	0.237	C	C	.	.			trans	-69.1	132.5	179.5	28.3	-34	0	0	0	111.1	I246 S286 E294 I295 F381	I246-P290 HydrophobicContact CG2-CG 4.46Å; S286-P290 WeakPolarHBondContact O-CA 3.41Å; S286-P290 WeakPolarHBondContact O-CB 3.34Å; P290-E294 HydrophobicContact CB-CB 4.18Å; P290-E294 HydrophobicContact CB-CG 3.88Å; P290-I295 HydrophobicContact CB-CG1 4Å; P290-I295 HydrophobicContact CG-CG1 4.15Å; P290-F381 HydrophobicContact CB-CB 3.88Å; P290-F381 HydrophobicContact CB-CD1 4.42Å; P290-F381 HydrophobicContact CB-CG 4.09Å; P290-F381 HydrophobicContact CG-CB 3.96Å; P290-F381 HydrophobicContact CG-CD2 4.02Å; P290-F381 HydrophobicContact CG-CG 3.93Å
291	N	97.1	Very high	96.7	Very high	103 Å²	103	47.8 Å²	47.8	55%	0.551	25%	0.247	S	C	*	.			trans	-79.1	169.4	171	67.2	25.7	0	0	0	111.6	L289 K293 E294 I295	L289-N291 PolarHBondContact O-N 3.2Å; N291-K293 PolarHBondContact O-N 3.17Å; N291-K293 VanDerWaalsContact O-N 3.11Å; N291-K293 WeakPolarHBondContact OD1-CB 3.2Å; N291-K293 PolarHBondContact OD1-N 2.77Å; N291-E294 PolarHBondContact O-N 2.82Å; N291-E294 PolarHBondContact OD1-N 3.36Å; N291-I295 WeakPolarHBondContact O-CG1 3.48Å; N291-I295 PolarHBondContact O-N 2.88Å
292	L	97.9	Very high	96.9	Very high	63 Å²	63	45.6 Å²	45.6	33%	0.33	23%	0.231	S	C	.	.	H	α-helix	trans	-56.4	-32.2	-178.2	-177.3	59.8	0	0	0	113.6	S296 H320 D323	L292-S296 WeakPolarHBondContact O-CB 3.33Å; L292-S296 PolarHBondContact O-N 3.38Å; L292-S296 PolarHBondContact O-OG 3.36Å; L292-H320 HydrophobicContact CD1-CB 3.94Å; L292-D323 HydrophobicContact CD1-CB 3.98Å; L292-D323 HydrophobicContact CD2-CB 4.12Å
293	K	97.5	Very high	97.2	Very high	170 Å²	170	40.5 Å²	40.5	74%	0.739	20%	0.198	S	C	*	.	H	α-helix	trans	-65.6	-45.9	176.5	-177.5	-178.3	178.7	-178.1	0	111	N291 R297	N291-K293 PolarHBondContact O-N 3.17Å; N291-K293 VanDerWaalsContact O-N 3.11Å; N291-K293 WeakPolarHBondContact OD1-CB 3.2Å; N291-K293 PolarHBondContact OD1-N 2.77Å; K293-R297 VanDerWaalsContact O-CB 3.24Å; K293-R297 WeakPolarHBondContact O-CB 3.42Å; K293-R297 PolarHBondContact O-N 2.95Å
294	E	97.8	Very high	97.3	Very high	20 Å²	20	47.9 Å²	47.9	9%	0.093	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-44.8	176.6	175.5	54.9	-160.4	0	0	111.7	P290 N291 S296 R297 T298 F381 G382	P290-E294 HydrophobicContact CB-CB 4.18Å; P290-E294 HydrophobicContact CB-CG 3.88Å; N291-E294 PolarHBondContact O-N 2.82Å; N291-E294 PolarHBondContact OD1-N 3.36Å; E294-S296 PolarHBondContact O-N 2.9Å; E294-R297 PolarHBondContact O-N 3.37Å; E294-R297 IonicContact OE1-CZ 2.65Å; E294-R297 IonicContact OE1-NH2 2.77Å; E294-R297 PolarHBondContact OE1-NH2 2.04Å; E294-R297 IonicContact OE2-CZ 3.65Å; E294-R297 IonicContact OE2-NE 3.7Å; E294-R297 PolarHBondContact OE2-NE 3.02Å; E294-R297 IonicContact OE2-NH2 2.79Å; E294-R297 PolarHBondContact OE2-NH2 3.31Å; E294-T298 WeakPolarHBondContact O-CB 3.48Å; E294-T298 PolarHBondContact O-N 3.45Å; E294-T298 PolarHBondContact O-OG1 3.36Å; E294-T298 PolarHBondContact OE1-OG1 2.86Å; E294-F381 HydrophobicContact CG-CB 4.49Å; E294-G382 PolarHBondContact OE1-N 3.5Å
295	I	98.5	Very high	97.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-56.1	-53.2	175.7	-64.7	168	0	0	0	109.6	L244 P290 N291 R297 T298 V299 I324 F381	L244-I295 HydrophobicContact CD2-CD1 3.91Å; L244-I295 HydrophobicContact CD2-CG1 4.13Å; L244-I295 HydrophobicContact CD2-CG2 4.19Å; P290-I295 HydrophobicContact CB-CG1 4Å; P290-I295 HydrophobicContact CG-CG1 4.15Å; N291-I295 WeakPolarHBondContact O-CG1 3.48Å; N291-I295 PolarHBondContact O-N 2.88Å; I295-R297 PolarHBondContact O-N 3.49Å; I295-T298 PolarHBondContact O-N 2.73Å; I295-V299 HydrophobicContact CG2-CG2 4.18Å; I295-V299 WeakPolarHBondContact O-CB 3.31Å; I295-V299 WeakPolarHBondContact O-CG2 3.15Å; I295-V299 PolarHBondContact O-N 3.18Å; I295-I324 HydrophobicContact CG2-CD1 4.04Å; I295-I324 HydrophobicContact CG2-CG1 4.46Å; I295-F381 HydrophobicContact CB-CE1 4.41Å; I295-F381 HydrophobicContact CG1-CE1 4.32Å; I295-F381 HydrophobicContact CG2-CE1 4.44Å
296	S	98.2	Very high	97.6	Very high	20 Å²	20	51.1 Å²	51.1	14%	0.14	24%	0.235	C	C	.	.	H	α-helix	trans	-59.6	-46.3	-177.5	-63	0	0	0	0	112.3	L292 E294 Q300	L292-S296 WeakPolarHBondContact O-CB 3.33Å; L292-S296 PolarHBondContact O-N 3.38Å; L292-S296 PolarHBondContact O-OG 3.36Å; E294-S296 PolarHBondContact O-N 2.9Å; S296-Q300 WeakPolarHBondContact O-CB 3.27Å; S296-Q300 PolarHBondContact O-N 2.88Å
297	R	97.3	Very high	97.8	Very high	80 Å²	80	52.8 Å²	52.8	30%	0.302	25%	0.251	S	S	.	.	H	α-helix	trans	-61.2	-48.3	179.9	-177.2	-169.1	74.2	98.7	2.7	111.5	K293 E294 I295 R301 E384	K293-R297 VanDerWaalsContact O-CB 3.24Å; K293-R297 WeakPolarHBondContact O-CB 3.42Å; K293-R297 PolarHBondContact O-N 2.95Å; E294-R297 PolarHBondContact O-N 3.37Å; E294-R297 IonicContact OE1-CZ 2.65Å; E294-R297 IonicContact OE1-NH2 2.77Å; E294-R297 PolarHBondContact OE1-NH2 2.04Å; E294-R297 IonicContact OE2-CZ 3.65Å; E294-R297 IonicContact OE2-NE 3.7Å; E294-R297 PolarHBondContact OE2-NE 3.02Å; E294-R297 IonicContact OE2-NH2 2.79Å; E294-R297 PolarHBondContact OE2-NH2 3.31Å; I295-R297 PolarHBondContact O-N 3.49Å; R297-R301 WeakPolarHBondContact O-CB 3.43Å; R297-R301 PolarHBondContact O-N 2.79Å; R297-E384 IonicContact CZ-OE1 2.71Å; R297-E384 IonicContact NH1-OE1 3.33Å; R297-E384 PolarHBondContact NH1-OE1 2.92Å; R297-E384 IonicContact NH2-OE1 3.57Å
298	T	97.8	Very high	97.9	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-74	-39.4	-174.6	-64.1	0	0	0	0	111.5	E294 I295 R301 W302 I356 F381	E294-T298 WeakPolarHBondContact O-CB 3.48Å; E294-T298 PolarHBondContact O-N 3.45Å; E294-T298 PolarHBondContact O-OG1 3.36Å; E294-T298 PolarHBondContact OE1-OG1 2.86Å; I295-T298 PolarHBondContact O-N 2.73Å; T298-R301 PolarHBondContact O-N 2.71Å; T298-W302 PolarHBondContact O-N 3.35Å; T298-W302 VanDerWaalsContact O-N 3.13Å; T298-I356 HydrophobicContact CG2-CD1 4.22Å; T298-I356 HydrophobicContact CG2-CG2 3.91Å; T298-F381 HydrophobicContact CG2-CD1 3.98Å; T298-F381 HydrophobicContact CG2-CE1 4.19Å
299	V	98.3	Very high	97.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-49.2	172.3	174.5	0	0	0	0	111	I242 I295 R301 W302 V303 V311 I324 F328 I356	I242-V299 HydrophobicContact CD1-CG2 3.89Å; I242-V299 HydrophobicContact CG2-CG2 4.02Å; I295-V299 HydrophobicContact CG2-CG2 4.18Å; I295-V299 WeakPolarHBondContact O-CB 3.31Å; I295-V299 WeakPolarHBondContact O-CG2 3.15Å; I295-V299 PolarHBondContact O-N 3.18Å; V299-R301 VanDerWaalsContact C-N 3.3Å; V299-R301 PolarHBondContact O-N 2.87Å; V299-W302 PolarHBondContact O-N 3.27Å; V299-V303 HydrophobicContact CG1-CG2 4.08Å; V299-V303 WeakPolarHBondContact O-CB 3.45Å; V299-V303 VanDerWaalsContact O-CG2 3.3Å; V299-V303 WeakPolarHBondContact O-CG2 3.48Å; V299-V303 PolarHBondContact O-N 2.79Å; V299-V311 HydrophobicContact CG1-CG1 4.39Å; V299-V311 HydrophobicContact CG1-CG2 4.19Å; V299-I324 HydrophobicContact CG1-CG2 3.93Å; V299-F328 HydrophobicContact CG1-CE2 4.14Å; V299-F328 HydrophobicContact CG1-CZ 4.04Å; V299-I356 HydrophobicContact CG2-CD1 4.39Å
300	Q	97.9	Very high	98	Very high	55 Å²	55	57.7 Å²	57.7	26%	0.257	27%	0.268	S	S	.	.	H	α-helix	trans	-59.8	-40.9	179.7	-174.3	178.1	65.5	0	0	112.2	S296 R304 F328	S296-Q300 WeakPolarHBondContact O-CB 3.27Å; S296-Q300 PolarHBondContact O-N 2.88Å; Q300-R304 VanDerWaalsContact NE2-NH2 3.14Å; Q300-R304 VanDerWaalsContact O-CG 3.29Å; Q300-R304 WeakPolarHBondContact O-CG 3.25Å; Q300-R304 PolarHBondContact O-N 3.43Å; Q300-R304 VanDerWaalsContact O-N 3.16Å; Q300-F328 HydrophobicContact CB-CZ 4.5Å; Q300-F328 HydrophobicContact CG-CE1 4.32Å
301	R	97.3	Very high	98	Very high	91 Å²	91	57.4 Å²	57.4	34%	0.343	27%	0.266	S	S	.	.	H	α-helix	trans	-58.4	-52.8	175.8	174.3	-170.9	-70.5	164.1	-15.5	111.3	R297 T298 V299 R304 K305 E384	R297-R301 WeakPolarHBondContact O-CB 3.43Å; R297-R301 PolarHBondContact O-N 2.79Å; T298-R301 PolarHBondContact O-N 2.71Å; V299-R301 VanDerWaalsContact C-N 3.3Å; V299-R301 PolarHBondContact O-N 2.87Å; R301-R304 PolarHBondContact O-N 2.76Å; R301-K305 WeakPolarHBondContact O-CB 3.37Å; R301-K305 PolarHBondContact O-N 3.42Å; R301-E384 IonicContact CZ-OE1 2.62Å; R301-E384 IonicContact NH1-OE1 2.68Å; R301-E384 IonicContact NH2-OE1 3.3Å; R301-E384 PolarHBondContact NH2-OE1 3.38Å
302	W	98.1	Very high	98.1	Very high	17 Å²	17	52.6 Å²	52.6	6%	0.064	24%	0.24	C	C	.	.	H	α-helix	trans	-73	-37.8	-174.6	-79.5	111.7	0	0	0	112.8	V240 T298 V299 R304 K305 T306 H354 I356 S379 M385	V240-W302 HydrophobicContact CG2-CB 4.37Å; T298-W302 PolarHBondContact O-N 3.35Å; T298-W302 VanDerWaalsContact O-N 3.13Å; V299-W302 PolarHBondContact O-N 3.27Å; W302-R304 VanDerWaalsContact C-N 3.26Å; W302-R304 PolarHBondContact O-N 3.33Å; W302-K305 HydrophobicContact CE3-CB 4.2Å; W302-K305 HydrophobicContact CE3-CD 3.79Å; W302-K305 HydrophobicContact CE3-CG 4.21Å; W302-K305 HydrophobicContact CH2-CD 4.09Å; W302-K305 HydrophobicContact CZ3-CD 3.52Å; W302-K305 HydrophobicContact CZ3-CG 4.21Å; W302-K305 PolarHBondContact O-N 2.89Å; W302-K305 VanDerWaalsContact O-N 3.1Å; W302-T306 HydrophobicContact CE3-CG2 4.26Å; W302-T306 WeakPolarHBondContact O-CG2 3.41Å; W302-T306 PolarHBondContact O-N 2.77Å; W302-T306 PolarHBondContact O-OG1 2.95Å; W302-H354 AromaticContact CD1-NE2 3.83Å; W302-H354 AromaticContact CD2-CD2 3.42Å; W302-H354 VanDerWaalsContact CD2-CD2 3.42Å; W302-H354 AromaticContact CD2-CE1 3.62Å; W302-H354 AromaticContact CD2-CG 4Å; W302-H354 AromaticContact CD2-NE2 3.16Å; W302-H354 AromaticContact CE2-CD2 3.93Å; W302-H354 AromaticContact CE2-CE1 3.55Å; W302-H354 AromaticContact CE2-NE2 3.15Å; W302-H354 AromaticContact CE3-CD2 3.57Å; W302-H354 AromaticContact CE3-CE1 3.48Å; W302-H354 VanDerWaalsContact CE3-CE1 3.48Å; W302-H354 AromaticContact CE3-CG 3.64Å; W302-H354 AromaticContact CE3-ND1 3.57Å; W302-H354 AromaticContact CE3-NE2 3.48Å; W302-H354 AromaticContact CG-CD2 3.6Å; W302-H354 AromaticContact CG-NE2 3.63Å; W302-H354 AromaticContact CH2-CE1 3.22Å; W302-H354 WeakPolarHBondContact CH2-CE1 3.3Å; W302-H354 AromaticContact CH2-ND1 3.82Å; W302-H354 AromaticContact CH2-NE2 3.76Å; W302-H354 AromaticContact CZ2-CE1 3.38Å; W302-H354 WeakPolarHBondContact CZ2-CE1 3.38Å; W302-H354 AromaticContact CZ2-NE2 3.49Å; W302-H354 WeakPolarHBondContact CZ2-NE2 3.38Å; W302-H354 AromaticContact CZ3-CE1 3.27Å; W302-H354 WeakPolarHBondContact CZ3-CE1 3.42Å; W302-H354 AromaticContact CZ3-CG 3.98Å; W302-H354 AromaticContact CZ3-ND1 3.4Å; W302-H354 WeakPolarHBondContact CZ3-ND1 3.34Å; W302-H354 AromaticContact CZ3-NE2 3.76Å; W302-H354 AromaticContact NE1-NE2 3.55Å; W302-I356 HydrophobicContact CB-CD1 3.96Å; W302-I356 HydrophobicContact CG-CD1 4.1Å; W302-I356 HydrophobicContact CG-CG1 4.38Å; W302-S379 PolarHBondContact NE1-OG 2.61Å; W302-M385 HydrophobicContact CZ2-CG 4.27Å
303	V	98.4	Very high	98.1	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-57.1	-42.1	172.9	168.3	0	0	0	0	111.3	V240 V299 A307 A308 V311 F328 V332	V240-V303 HydrophobicContact CB-CG2 4.35Å; V240-V303 HydrophobicContact CG2-CG2 3.99Å; V299-V303 HydrophobicContact CG1-CG2 4.08Å; V299-V303 WeakPolarHBondContact O-CB 3.45Å; V299-V303 VanDerWaalsContact O-CG2 3.3Å; V299-V303 WeakPolarHBondContact O-CG2 3.48Å; V299-V303 PolarHBondContact O-N 2.79Å; V303-A307 CarbonylContact O-C 3.59Å; V303-A307 WeakPolarHBondContact O-CA 3.41Å; V303-A307 PolarHBondContact O-N 2.87Å; V303-A307 VanDerWaalsContact O-N 3.09Å; V303-A308 HydrophobicContact CB-CB 4.5Å; V303-A308 HydrophobicContact CG1-CB 4.29Å; V303-A308 HydrophobicContact CG2-CB 4.4Å; V303-A308 PolarHBondContact O-N 3.06Å; V303-V311 HydrophobicContact CG2-CG2 3.51Å; V303-F328 HydrophobicContact CB-CE1 3.77Å; V303-F328 HydrophobicContact CB-CZ 3.74Å; V303-F328 HydrophobicContact CG1-CD1 4.06Å; V303-F328 HydrophobicContact CG1-CE1 3.48Å; V303-F328 VanDerWaalsContact CG1-CE1 3.48Å; V303-F328 HydrophobicContact CG1-CZ 3.82Å; V303-F328 HydrophobicContact CG2-CE1 4.21Å; V303-F328 HydrophobicContact CG2-CE2 4.32Å; V303-F328 HydrophobicContact CG2-CZ 3.68Å; V303-V332 HydrophobicContact CG1-CG1 4.27Å; V303-V332 HydrophobicContact CG1-CG2 3.87Å
304	R	97.7	Very high	98.2	Very high	172 Å²	172	41.5 Å²	41.5	65%	0.649	19%	0.189	S	C	*	.	H	α-helix	trans	-65.5	-47.1	173.7	-71.6	175.1	-176.8	170.1	4	111.9	Q300 R301 W302 T306 A307	Q300-R304 VanDerWaalsContact NE2-NH2 3.14Å; Q300-R304 VanDerWaalsContact O-CG 3.29Å; Q300-R304 WeakPolarHBondContact O-CG 3.25Å; Q300-R304 PolarHBondContact O-N 3.43Å; Q300-R304 VanDerWaalsContact O-N 3.16Å; R301-R304 PolarHBondContact O-N 2.76Å; W302-R304 VanDerWaalsContact C-N 3.26Å; W302-R304 PolarHBondContact O-N 3.33Å; R304-T306 VanDerWaalsContact C-N 3.32Å; R304-T306 PolarHBondContact O-N 2.95Å; R304-A307 PolarHBondContact O-N 2.73Å
305	K	97.6	Very high	98.2	Very high	144 Å²	144	41.4 Å²	41.4	63%	0.626	19%	0.19	S	C	*	.	H	α-helix	trans	-64.7	-33.9	-176.5	-176.2	169.3	171.6	-173.7	0	113.1	R301 W302	R301-K305 WeakPolarHBondContact O-CB 3.37Å; R301-K305 PolarHBondContact O-N 3.42Å; W302-K305 HydrophobicContact CE3-CB 4.2Å; W302-K305 HydrophobicContact CE3-CD 3.79Å; W302-K305 HydrophobicContact CE3-CG 4.21Å; W302-K305 HydrophobicContact CH2-CD 4.09Å; W302-K305 HydrophobicContact CZ3-CD 3.52Å; W302-K305 HydrophobicContact CZ3-CG 4.21Å; W302-K305 PolarHBondContact O-N 2.89Å; W302-K305 VanDerWaalsContact O-N 3.1Å
306	T	97.7	Very high	98.1	Very high	33 Å²	33	43.9 Å²	43.9	20%	0.202	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-2	178.4	60.5	0	0	0	0	113.2	W302 R304 A308 H354	W302-T306 HydrophobicContact CE3-CG2 4.26Å; W302-T306 WeakPolarHBondContact O-CG2 3.41Å; W302-T306 PolarHBondContact O-N 2.77Å; W302-T306 PolarHBondContact O-OG1 2.95Å; R304-T306 VanDerWaalsContact C-N 3.32Å; R304-T306 PolarHBondContact O-N 2.95Å; T306-A308 PolarHBondContact O-N 3.37Å; T306-A308 VanDerWaalsContact OG1-CB 3.3Å; T306-A308 WeakPolarHBondContact OG1-CB 3.43Å; T306-A308 PolarHBondContact OG1-N 2.96Å; T306-H354 HydrophobicContact CG2-CB 3.69Å
307	A	98.1	Very high	98	Very high	76 Å²	76	45 Å²	45	63%	0.628	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.8	41.4	-167.6	0	0	0	0	0	112.2	V303 R304	V303-A307 CarbonylContact O-C 3.59Å; V303-A307 WeakPolarHBondContact O-CA 3.41Å; V303-A307 PolarHBondContact O-N 2.87Å; V303-A307 VanDerWaalsContact O-N 3.09Å; R304-A307 PolarHBondContact O-N 2.73Å
308	A	98.6	Very high	97.9	Very high	7 Å²	7	46.6 Å²	46.6	6%	0.058	22%	0.222	C	C	.	.			trans	-67.3	140.6	-173.9	0	0	0	0	0	112	P238 V240 V303 T306	P238-A308 CarbonylContact O-C 3.44Å; P238-A308 WeakPolarHBondContact O-CA 3.47Å; P238-A308 VanDerWaalsContact O-CB 3.28Å; P238-A308 WeakPolarHBondContact O-CB 3.44Å; V240-A308 HydrophobicContact CG2-CB 3.84Å; V303-A308 HydrophobicContact CB-CB 4.5Å; V303-A308 HydrophobicContact CG1-CB 4.29Å; V303-A308 HydrophobicContact CG2-CB 4.4Å; V303-A308 PolarHBondContact O-N 3.06Å; T306-A308 PolarHBondContact O-N 3.37Å; T306-A308 VanDerWaalsContact OG1-CB 3.3Å; T306-A308 WeakPolarHBondContact OG1-CB 3.43Å; T306-A308 PolarHBondContact OG1-N 2.96Å
309	R	98.7	Very high	97.9	Very high	147 Å²	147	47.3 Å²	47.3	56%	0.555	23%	0.227	S	C	*	.	S	Bend	trans	-96.4	-16.3	177	-62.5	-169.2	-70.5	-173.6	4.7	112.2	V236 R237 P238 V332 K333	V236-R309 HydrophobicContact CB-CB 4.07Å; V236-R309 HydrophobicContact CG1-CB 3.87Å; V236-R309 VanDerWaalsContact CG1-NE 3.32Å; R237-R309 PolarHBondContact O-NE 3.38Å; R237-R309 PolarHBondContact O-NH2 3.46Å; P238-R309 PolarHBondContact O-N 3.25Å; R309-V332 WeakPolarHBondContact O-CA 3.26Å; R309-K333 PolarHBondContact O-N 2.99Å
310	S	98.8	Very high	97.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	162	173.5	58.6	0	0	0	0	113.7	V236 Y239 V240 K333	V236-S310 PolarHBondContact N-OG 3.49Å; V236-S310 PolarHBondContact O-N 3.1Å; V236-S310 PolarHBondContact O-OG 2.93Å; Y239-S310 WeakPolarHBondContact CA-O 3.13Å; Y239-S310 WeakPolarHBondContact CB-O 3.3Å; Y239-S310 WeakPolarHBondContact CB-OG 3.38Å; V240-S310 PolarHBondContact N-O 2.88Å; V240-S310 VanDerWaalsContact N-O 3.08Å; S310-K333 CarbonylContact C-O 3.45Å; S310-K333 WeakPolarHBondContact CA-O 3.37Å; S310-K333 VanDerWaalsContact CB-O 3.26Å; S310-K333 WeakPolarHBondContact CB-O 3.45Å
311	V	98.9	Very high	97.8	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.7	173.4	178.9	0	0	0	0	108.4	V240 I242 V299 V303 I313 F328 V332 K333 V334 V335	V240-V311 CarbonylContact O-C 3.47Å; V240-V311 VanDerWaalsContact O-CA 3.26Å; V240-V311 WeakPolarHBondContact O-CA 3.5Å; I242-V311 HydrophobicContact CD1-CG1 4.49Å; V299-V311 HydrophobicContact CG1-CG1 4.39Å; V299-V311 HydrophobicContact CG1-CG2 4.19Å; V303-V311 HydrophobicContact CG2-CG2 3.51Å; V311-I313 HydrophobicContact CG1-CG1 4.12Å; V311-F328 HydrophobicContact CG2-CE2 4.49Å; V311-V332 HydrophobicContact CG2-CG1 3.96Å; V311-K333 PolarHBondContact N-O 2.89Å; V311-V334 HydrophobicContact CB-CG2 4.48Å; V311-V335 PolarHBondContact O-N 2.83Å
312	Y	98.9	Very high	97.8	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.7	171	-175.6	-98.2	0	0	0	110.2	L235 V240 G241 I242 A314 V335 L337 D345 I348 L349	L235-Y312 HydrophobicContact CD1-CD2 3.97Å; L235-Y312 HydrophobicContact CD1-CG 4.22Å; L235-Y312 HydrophobicContact CD2-CD2 4.17Å; L235-Y312 HydrophobicContact CG-CD2 4.48Å; V240-Y312 PolarHBondContact O-N 2.71Å; G241-Y312 CarbonylContact C-O 3.56Å; G241-Y312 WeakPolarHBondContact CA-O 3.5Å; I242-Y312 PolarHBondContact N-O 3.33Å; Y312-A314 HydrophobicContact CE1-CB 4.17Å; Y312-V335 CarbonylContact C-O 3.52Å; Y312-V335 HydrophobicContact CD2-CB 4.42Å; Y312-V335 HydrophobicContact CD2-CG1 4.19Å; Y312-V335 HydrophobicContact CE2-CG1 4.4Å; Y312-L337 HydrophobicContact CE2-CB 4.09Å; Y312-D345 WeakPolarHBondContact CE1-OD1 3.48Å; Y312-D345 VanDerWaalsContact CZ-OD1 3.29Å; Y312-D345 PolarHBondContact OH-OD1 2.77Å; Y312-I348 HydrophobicContact CD1-CB 4.23Å; Y312-I348 HydrophobicContact CD1-CG2 3.54Å; Y312-I348 HydrophobicContact CD2-CG2 3.74Å; Y312-I348 HydrophobicContact CE1-CB 3.91Å; Y312-I348 HydrophobicContact CE1-CD1 4.41Å; Y312-I348 HydrophobicContact CE1-CG2 3.68Å; Y312-I348 HydrophobicContact CE2-CB 4.49Å; Y312-I348 HydrophobicContact CE2-CD1 3.87Å; Y312-I348 HydrophobicContact CE2-CG2 3.85Å; Y312-I348 HydrophobicContact CG-CG2 3.56Å; Y312-I348 WeakPolarHBondContact OH-CD1 3.32Å; Y312-L349 HydrophobicContact CD1-CD2 4.07Å
313	I	98.9	Very high	97.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	106.6	-177.4	-50	178.1	0	0	0	109.5	I242 L244 V311 S319 I324 V334 V335 S336	I242-I313 HydrophobicContact CD1-CB 4.46Å; I242-I313 HydrophobicContact CD1-CD1 4.37Å; I242-I313 HydrophobicContact CD1-CG1 3.88Å; I242-I313 HydrophobicContact CD1-CG2 4.16Å; I242-I313 HydrophobicContact CG1-CB 4.15Å; I242-I313 HydrophobicContact CG1-CG1 3.94Å; I242-I313 HydrophobicContact CG1-CG2 4.01Å; L244-I313 HydrophobicContact CD1-CG2 3.67Å; L244-I313 HydrophobicContact CG-CG2 4.02Å; V311-I313 HydrophobicContact CG1-CG1 4.12Å; I313-S319 WeakPolarHBondContact CD1-O 3.49Å; I313-I324 HydrophobicContact CD1-CD1 3.59Å; I313-V334 HydrophobicContact CD1-CG1 3.53Å; I313-V334 HydrophobicContact CG1-CG1 4.27Å; I313-V335 PolarHBondContact N-O 3.19Å; I313-S336 PolarHBondContact O-OG 2.65Å; I313-S336 VanDerWaalsContact O-OG 3.08Å
314	A	98.8	Very high	97.7	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.8	162	0	0	0	0	0	108.6	I242 H243 L244 Y312 D345 L349	I242-A314 PolarHBondContact O-N 2.94Å; H243-A314 WeakPolarHBondContact CA-O 3.41Å; L244-A314 PolarHBondContact N-O 3.02Å; Y312-A314 HydrophobicContact CE1-CB 4.17Å; A314-D345 HydrophobicContact CB-CB 3.8Å; A314-D345 VanDerWaalsContact CB-CG 3.48Å; A314-L349 HydrophobicContact CB-CD1 3.69Å; A314-L349 HydrophobicContact CB-CD2 4.17Å; A314-L349 HydrophobicContact CB-CG 4.08Å
315	T	98.5	Very high	97.7	Very high	18 Å²	18	50.7 Å²	50.7	11%	0.11	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	149	-178.2	-174.8	0	0	0	0	111.6	L244 S317 E318 Q338	L244-T315 VanDerWaalsContact O-CA 3.31Å; L244-T315 WeakPolarHBondContact O-CA 3.47Å; L244-T315 PolarHBondContact O-OG1 3.06Å; T315-S317 VanDerWaalsContact C-N 3.3Å; T315-S317 WeakPolarHBondContact CG2-O 3.33Å; T315-S317 PolarHBondContact OG1-N 3.24Å; T315-S317 VanDerWaalsContact OG1-N 3.13Å; T315-E318 WeakPolarHBondContact CB-O 3.11Å; T315-E318 PolarHBondContact OG1-O 3.16Å; T315-Q338 HydrophobicContact CG2-CG 4.21Å
316	D	96.6	Very high	97.6	Very high	51 Å²	51	50.8 Å²	50.8	27%	0.273	25%	0.252	S	S	.	.	S	Bend	trans	-83.3	-8.9	170.4	65.7	-12.7	0	0	0	113.7	L244 R245 I246 G247	L244-D316 PolarHBondContact O-N 2.97Å; L244-D316 VanDerWaalsContact O-N 3.15Å; R245-D316 WeakPolarHBondContact CA-OD2 3.39Å; R245-D316 WeakPolarHBondContact CD-OD2 3.45Å; R245-D316 IonicContact CZ-OD2 3.96Å; R245-D316 VanDerWaalsContact CZ-OD2 3.3Å; R245-D316 IonicContact NE-OD2 3.47Å; R245-D316 IonicContact NH1-OD2 2.63Å; R245-D316 PolarHBondContact NH1-OD2 3.16Å; I246-D316 PolarHBondContact N-OD1 3.06Å; I246-D316 PolarHBondContact N-OD2 2.75Å; G247-D316 VanDerWaalsContact N-CG 3.32Å; G247-D316 PolarHBondContact N-OD1 2.94Å; G247-D316 PolarHBondContact N-OD2 3.34Å
317	S	95.4	Very high	97.6	Very high	45 Å²	45	51.7 Å²	51.7	32%	0.315	26%	0.256	S	S	.	.	S	Bend	trans	-156.5	-111.3	-171.4	56.1	0	0	0	0	110.9	G247 T315	G247-S317 VanDerWaalsContact CA-OG 3.31Å; G247-S317 WeakPolarHBondContact CA-OG 3.45Å; G247-S317 PolarHBondContact N-OG 3.19Å; T315-S317 VanDerWaalsContact C-N 3.3Å; T315-S317 WeakPolarHBondContact CG2-O 3.33Å; T315-S317 PolarHBondContact OG1-N 3.24Å; T315-S317 VanDerWaalsContact OG1-N 3.13Å
318	E	95.9	Very high	97.5	Very high	113 Å²	113	49 Å²	49	53%	0.528	23%	0.23	S	C	.	.			trans	-82.8	150.9	177.6	67.2	178.6	135.4	0	0	112.5	I246 T315 H320	I246-E318 HydrophobicContact CD1-CG 3.85Å; T315-E318 WeakPolarHBondContact CB-O 3.11Å; T315-E318 PolarHBondContact OG1-O 3.16Å; E318-H320 IonicContact OE1-CE1 3.79Å; E318-H320 PolarHBondContact OE1-CE1 3.34Å; E318-H320 IonicContact OE1-NE2 2.74Å; E318-H320 IonicContact OE2-CE1 3.28Å; E318-H320 PolarHBondContact OE2-CE1 2.91Å; E318-H320 IonicContact OE2-ND1 2.72Å; E318-H320 PolarHBondContact OE2-ND1 3.05Å; E318-H320 IonicContact OE2-NE2 3.13Å
319	S	96.8	Very high	97.3	Very high	16 Å²	16	57.7 Å²	57.7	11%	0.112	27%	0.267	C	S	.	.			trans	-96.6	-18.7	-175.6	62.6	0	0	0	0	114.8	L244 I313 S321 S336	L244-S319 WeakPolarHBondContact CD1-O 3.41Å; I313-S319 WeakPolarHBondContact CD1-O 3.49Å; S319-S321 PolarHBondContact O-N 3.42Å; S319-S321 WeakPolarHBondContact OG-CB 3.02Å; S319-S321 PolarHBondContact OG-N 3.48Å; S319-S321 PolarHBondContact OG-OG 3.23Å; S319-S336 WeakPolarHBondContact CB-OG 3.46Å
320	H	97.3	Very high	96.8	Very high	31 Å²	31	53.5 Å²	53.5	14%	0.144	27%	0.269	C	S	.	.			trans	48.4	24.1	-166.4	-60.5	-55.6	0	0	0	114.5	I246 L292 E318 R322 D323 I324	I246-H320 WeakPolarHBondContact CD1-NE2 3.23Å; L292-H320 HydrophobicContact CD1-CB 3.94Å; E318-H320 IonicContact OE1-CE1 3.79Å; E318-H320 PolarHBondContact OE1-CE1 3.34Å; E318-H320 IonicContact OE1-NE2 2.74Å; E318-H320 IonicContact OE2-CE1 3.28Å; E318-H320 PolarHBondContact OE2-CE1 2.91Å; E318-H320 IonicContact OE2-ND1 2.72Å; E318-H320 PolarHBondContact OE2-ND1 3.05Å; E318-H320 IonicContact OE2-NE2 3.13Å; H320-R322 VanDerWaalsContact C-N 3.34Å; H320-R322 PolarHBondContact O-N 2.81Å; H320-D323 PolarHBondContact O-N 3.12Å; H320-D323 VanDerWaalsContact O-N 3.08Å; H320-I324 HydrophobicContact CB-CD1 4.45Å; H320-I324 WeakPolarHBondContact O-CG1 3.3Å; H320-I324 PolarHBondContact O-N 3.39Å
321	S	97.1	Very high	96.7	Very high	37 Å²	37	62.3 Å²	62.3	26%	0.259	31%	0.307	S	S	.	.	H	α-helix	trans	-55.5	-44.9	-173.6	46.9	0	0	0	0	112.9	S319 D323 I324 E325	S319-S321 PolarHBondContact O-N 3.42Å; S319-S321 WeakPolarHBondContact OG-CB 3.02Å; S319-S321 PolarHBondContact OG-N 3.48Å; S319-S321 PolarHBondContact OG-OG 3.23Å; S321-D323 VanDerWaalsContact C-N 3.33Å; S321-D323 PolarHBondContact O-N 3.12Å; S321-I324 PolarHBondContact O-N 3.41Å; S321-E325 WeakPolarHBondContact O-CB 3.45Å; S321-E325 PolarHBondContact O-N 3Å
322	R	96.7	Very high	96.6	Very high	194 Å²	194	62.9 Å²	62.9	73%	0.732	31%	0.311	S	S	*	.	H	α-helix	trans	-61.6	-38.8	177.9	-67.5	-178.2	180	174.1	0.6	113	H320 K326	H320-R322 VanDerWaalsContact C-N 3.34Å; H320-R322 PolarHBondContact O-N 2.81Å; R322-K326 VanDerWaalsContact O-CG 3.28Å; R322-K326 WeakPolarHBondContact O-CG 3.46Å; R322-K326 PolarHBondContact O-N 2.89Å
323	D	97.3	Very high	96.6	Very high	56 Å²	56	67.2 Å²	67.2	30%	0.299	33%	0.33	S	S	.	.	H	α-helix	trans	-74	-38.2	-179	-61.4	-50.7	0	0	0	111.1	L292 H320 S321 K326	L292-D323 HydrophobicContact CD1-CB 3.98Å; L292-D323 HydrophobicContact CD2-CB 4.12Å; H320-D323 PolarHBondContact O-N 3.12Å; H320-D323 VanDerWaalsContact O-N 3.08Å; S321-D323 VanDerWaalsContact C-N 3.33Å; S321-D323 PolarHBondContact O-N 3.12Å; D323-K326 PolarHBondContact O-N 3.3Å; D323-K326 IonicContact OD1-NZ 2.87Å; D323-K326 PolarHBondContact OD1-NZ 2.61Å
324	I	97.5	Very high	96.6	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-66.1	-41.3	173.8	-66.3	167	0	0	0	111	I242 I295 V299 I313 H320 S321 K326 L327 F328 V334	I242-I324 HydrophobicContact CD1-CD1 3.93Å; I295-I324 HydrophobicContact CG2-CD1 4.04Å; I295-I324 HydrophobicContact CG2-CG1 4.46Å; V299-I324 HydrophobicContact CG1-CG2 3.93Å; I313-I324 HydrophobicContact CD1-CD1 3.59Å; H320-I324 HydrophobicContact CB-CD1 4.45Å; H320-I324 WeakPolarHBondContact O-CG1 3.3Å; H320-I324 PolarHBondContact O-N 3.39Å; S321-I324 PolarHBondContact O-N 3.41Å; I324-K326 VanDerWaalsContact C-N 3.34Å; I324-K326 PolarHBondContact O-N 3.46Å; I324-L327 VanDerWaalsContact O-CB 3.25Å; I324-L327 WeakPolarHBondContact O-CB 3.43Å; I324-L327 WeakPolarHBondContact O-CG 3.26Å; I324-L327 PolarHBondContact O-N 2.91Å; I324-L327 VanDerWaalsContact O-N 3.14Å; I324-F328 HydrophobicContact CG2-CE2 3.94Å; I324-F328 WeakPolarHBondContact O-CD2 3.38Å; I324-F328 WeakPolarHBondContact O-CE2 3.35Å; I324-V334 HydrophobicContact CB-CG1 4.37Å; I324-V334 HydrophobicContact CG2-CG1 4.15Å; I324-V334 HydrophobicContact CG2-CG2 3.94Å
325	E	96.8	Very high	96.6	Very high	94 Å²	94	68.9 Å²	68.9	44%	0.439	34%	0.34	S	S	.	.	H	α-helix	trans	-62.1	-40.6	178.8	-174	172.8	-154.7	0	0	112.3	S321 L327 F328 K329 V334	S321-E325 WeakPolarHBondContact O-CB 3.45Å; S321-E325 PolarHBondContact O-N 3Å; E325-L327 PolarHBondContact O-N 3.25Å; E325-F328 PolarHBondContact O-N 3.38Å; E325-F328 VanDerWaalsContact O-N 3.08Å; E325-K329 PolarHBondContact O-N 2.98Å; E325-V334 HydrophobicContact CB-CB 4.29Å; E325-V334 HydrophobicContact CB-CG2 3.97Å; E325-V334 HydrophobicContact CG-CG2 4.48Å
326	K	97	Very high	96.6	Very high	146 Å²	146	69.6 Å²	69.6	64%	0.635	35%	0.346	S	S	*	.	H	α-helix	trans	-57.7	-31.5	175.1	-73	168.3	-168	164.4	0	112.7	R322 D323 I324 F328 K329	R322-K326 VanDerWaalsContact O-CG 3.28Å; R322-K326 WeakPolarHBondContact O-CG 3.46Å; R322-K326 PolarHBondContact O-N 2.89Å; D323-K326 PolarHBondContact O-N 3.3Å; D323-K326 IonicContact OD1-NZ 2.87Å; D323-K326 PolarHBondContact OD1-NZ 2.61Å; I324-K326 VanDerWaalsContact C-N 3.34Å; I324-K326 PolarHBondContact O-N 3.46Å; K326-F328 PolarHBondContact O-N 3.43Å; K326-F328 VanDerWaalsContact O-N 3.16Å; K326-K329 PolarHBondContact O-N 3.01Å
327	L	96.4	Very high	96.6	Very high	52 Å²	52	69.8 Å²	69.8	27%	0.272	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.1	178.7	-57.8	174.1	0	0	0	112.8	I324 E325	I324-L327 VanDerWaalsContact O-CB 3.25Å; I324-L327 WeakPolarHBondContact O-CB 3.43Å; I324-L327 WeakPolarHBondContact O-CG 3.26Å; I324-L327 PolarHBondContact O-N 2.91Å; I324-L327 VanDerWaalsContact O-N 3.14Å; E325-L327 PolarHBondContact O-N 3.25Å
328	F	96.8	Very high	96.5	Very high	21 Å²	21	73 Å²	73	9%	0.092	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	0.7	-171.9	-55.7	-65.6	0	0	0	113.7	V299 Q300 V303 V311 I324 E325 K326 G330 K331 V332	V299-F328 HydrophobicContact CG1-CE2 4.14Å; V299-F328 HydrophobicContact CG1-CZ 4.04Å; Q300-F328 HydrophobicContact CB-CZ 4.5Å; Q300-F328 HydrophobicContact CG-CE1 4.32Å; V303-F328 HydrophobicContact CB-CE1 3.77Å; V303-F328 HydrophobicContact CB-CZ 3.74Å; V303-F328 HydrophobicContact CG1-CD1 4.06Å; V303-F328 HydrophobicContact CG1-CE1 3.48Å; V303-F328 VanDerWaalsContact CG1-CE1 3.48Å; V303-F328 HydrophobicContact CG1-CZ 3.82Å; V303-F328 HydrophobicContact CG2-CE1 4.21Å; V303-F328 HydrophobicContact CG2-CE2 4.32Å; V303-F328 HydrophobicContact CG2-CZ 3.68Å; V311-F328 HydrophobicContact CG2-CE2 4.49Å; I324-F328 HydrophobicContact CG2-CE2 3.94Å; I324-F328 WeakPolarHBondContact O-CD2 3.38Å; I324-F328 WeakPolarHBondContact O-CE2 3.35Å; E325-F328 PolarHBondContact O-N 3.38Å; E325-F328 VanDerWaalsContact O-N 3.08Å; K326-F328 PolarHBondContact O-N 3.43Å; K326-F328 VanDerWaalsContact O-N 3.16Å; F328-G330 PolarHBondContact O-N 2.97Å; F328-K331 WeakPolarHBondContact O-CB 3.47Å; F328-K331 WeakPolarHBondContact O-CG 3.48Å; F328-K331 PolarHBondContact O-N 2.89Å; F328-V332 HydrophobicContact CB-CB 3.7Å; F328-V332 HydrophobicContact CB-CG2 3.82Å; F328-V332 HydrophobicContact CD1-CB 4.31Å; F328-V332 HydrophobicContact CD1-CG2 3.88Å; F328-V332 HydrophobicContact CD2-CB 3.92Å; F328-V332 HydrophobicContact CD2-CG1 4.24Å; F328-V332 HydrophobicContact CD2-CG2 4.39Å; F328-V332 HydrophobicContact CG-CB 3.71Å; F328-V332 HydrophobicContact CG-CG1 4.42Å; F328-V332 HydrophobicContact CG-CG2 3.76Å
329	K	94.2	Very high	96.4	Very high	189 Å²	189	69 Å²	69	82%	0.822	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	40.6	178.3	-53.5	-178.5	-178.9	-175.6	0	112.1	E325 K326 K331	E325-K329 PolarHBondContact O-N 2.98Å; K326-K329 PolarHBondContact O-N 3.01Å; K329-K331 VanDerWaalsContact C-N 3.28Å; K329-K331 PolarHBondContact O-N 3.21Å
330	G	89.1	Confident	96.1	Very high	59 Å²	59	76.6 Å²	76.6	61%	0.608	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	1.2	-179.6	0	0	0	0	0	116.2	F328 V332	F328-G330 PolarHBondContact O-N 2.97Å; G330-V332 VanDerWaalsContact C-N 3.31Å; G330-V332 PolarHBondContact O-N 2.97Å
331	K	95.2	Very high	95.8	Very high	184 Å²	184	78.8 Å²	78.8	80%	0.8	39%	0.391	S	S	*	.	S	Bend	trans	-77.2	-16	179.8	-62.8	-175.9	179.2	-174.6	0	114.1	F328 K329	F328-K331 WeakPolarHBondContact O-CB 3.47Å; F328-K331 WeakPolarHBondContact O-CG 3.48Å; F328-K331 PolarHBondContact O-N 2.89Å; K329-K331 VanDerWaalsContact C-N 3.28Å; K329-K331 PolarHBondContact O-N 3.21Å
332	V	98.2	Very high	95.8	Very high	12 Å²	12	79 Å²	79	7%	0.073	40%	0.396	C	S	.	.	S	Bend	trans	-128.1	124.2	-177.5	177.8	0	0	0	0	107.2	V303 R309 V311 F328 G330	V303-V332 HydrophobicContact CG1-CG1 4.27Å; V303-V332 HydrophobicContact CG1-CG2 3.87Å; R309-V332 WeakPolarHBondContact O-CA 3.26Å; V311-V332 HydrophobicContact CG2-CG1 3.96Å; F328-V332 HydrophobicContact CB-CB 3.7Å; F328-V332 HydrophobicContact CB-CG2 3.82Å; F328-V332 HydrophobicContact CD1-CB 4.31Å; F328-V332 HydrophobicContact CD1-CG2 3.88Å; F328-V332 HydrophobicContact CD2-CB 3.92Å; F328-V332 HydrophobicContact CD2-CG1 4.24Å; F328-V332 HydrophobicContact CD2-CG2 4.39Å; F328-V332 HydrophobicContact CG-CB 3.71Å; F328-V332 HydrophobicContact CG-CG1 4.42Å; F328-V332 HydrophobicContact CG-CG2 3.76Å; G330-V332 VanDerWaalsContact C-N 3.31Å; G330-V332 PolarHBondContact O-N 2.97Å
333	K	98.4	Very high	95.9	Very high	93 Å²	93	70.2 Å²	70.2	40%	0.404	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	127.2	179.2	-174.4	180	-177.6	-174.5	0	109.7	L234 R309 S310 V311 V335	L234-K333 WeakPolarHBondContact O-CD 3.36Å; L234-K333 WeakPolarHBondContact O-CE 3.48Å; L234-K333 PolarHBondContact O-NZ 2.88Å; R309-K333 PolarHBondContact O-N 2.99Å; S310-K333 CarbonylContact C-O 3.45Å; S310-K333 WeakPolarHBondContact CA-O 3.37Å; S310-K333 VanDerWaalsContact CB-O 3.26Å; S310-K333 WeakPolarHBondContact CB-O 3.45Å; V311-K333 PolarHBondContact N-O 2.89Å; K333-V335 HydrophobicContact CD-CG2 4.28Å; K333-V335 HydrophobicContact CG-CG2 4.07Å
334	V	98.6	Very high	95.9	Very high	22 Å²	22	67.5 Å²	67.5	13%	0.133	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.3	177.8	-177.1	0	0	0	0	109.1	V311 I313 I324 E325	V311-V334 HydrophobicContact CB-CG2 4.48Å; I313-V334 HydrophobicContact CD1-CG1 3.53Å; I313-V334 HydrophobicContact CG1-CG1 4.27Å; I324-V334 HydrophobicContact CB-CG1 4.37Å; I324-V334 HydrophobicContact CG2-CG1 4.15Å; I324-V334 HydrophobicContact CG2-CG2 3.94Å; E325-V334 HydrophobicContact CB-CB 4.29Å; E325-V334 HydrophobicContact CB-CG2 3.97Å; E325-V334 HydrophobicContact CG-CG2 4.48Å
335	V	98.5	Very high	96	Very high	14 Å²	14	68 Å²	68	9%	0.085	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.9	-174.6	-179.9	0	0	0	0	109.9	L234 L235 V311 Y312 I313 K333	L234-V335 HydrophobicContact CB-CG1 4.04Å; L234-V335 HydrophobicContact CB-CG2 4.44Å; L234-V335 HydrophobicContact CD1-CG1 4.19Å; L234-V335 WeakPolarHBondContact O-CG2 3.5Å; L235-V335 HydrophobicContact CD2-CB 3.93Å; L235-V335 HydrophobicContact CD2-CG2 3.82Å; V311-V335 PolarHBondContact O-N 2.83Å; Y312-V335 CarbonylContact C-O 3.52Å; Y312-V335 HydrophobicContact CD2-CB 4.42Å; Y312-V335 HydrophobicContact CD2-CG1 4.19Å; Y312-V335 HydrophobicContact CE2-CG1 4.4Å; I313-V335 PolarHBondContact N-O 3.19Å; K333-V335 HydrophobicContact CD-CG2 4.28Å; K333-V335 HydrophobicContact CG-CG2 4.07Å
336	S	98.1	Very high	96.1	Very high	33 Å²	33	63.5 Å²	63.5	23%	0.231	33%	0.33	C	S	.	.			trans	-134.8	115.9	165.8	-171.9	0	0	0	0	107.7	I313 S319	I313-S336 PolarHBondContact O-OG 2.65Å; I313-S336 VanDerWaalsContact O-OG 3.08Å; S319-S336 WeakPolarHBondContact CB-OG 3.46Å
337	L	96.4	Very high	96.2	Very high	54 Å²	54	57 Å²	57	28%	0.283	30%	0.301	S	S	.	.			trans	-86.3	-40.6	-175	179.5	62.9	0	0	0	112.1	L234 Y312 P339 T344 I348	L234-L337 HydrophobicContact CD1-CD1 4.09Å; Y312-L337 HydrophobicContact CE2-CB 4.09Å; L337-P339 HydrophobicContact CD2-CB 4.1Å; L337-P339 HydrophobicContact CD2-CG 4.44Å; L337-P339 HydrophobicContact CG-CB 4.31Å; L337-T344 HydrophobicContact CD2-CG2 4.24Å; L337-I348 HydrophobicContact CD2-CD1 4.32Å
338	Q	94.7	Very high	96.3	Very high	114 Å²	114	54.5 Å²	54.5	53%	0.533	29%	0.289	S	S	.	.			trans	50.3	61	-171.2	-64.5	175.8	51.2	0	0	111.9	T315	T315-Q338 HydrophobicContact CG2-CG 4.21Å
339	P	94.2	Very high	96.4	Very high	28 Å²	28	53.5 Å²	53.5	18%	0.182	28%	0.284	C	S	.	.			trans	-66.5	152.5	-177	30.6	-35.5	0	0	0	111.7	L337 L341 T344 D345	L337-P339 HydrophobicContact CD2-CB 4.1Å; L337-P339 HydrophobicContact CD2-CG 4.44Å; L337-P339 HydrophobicContact CG-CB 4.31Å; P339-L341 WeakPolarHBondContact CG-O 3.42Å; P339-L341 PolarHBondContact O-N 2.89Å; P339-T344 HydrophobicContact CB-CG2 4.18Å; P339-T344 HydrophobicContact CG-CG2 4.37Å; P339-D345 WeakPolarHBondContact CD-OD1 3.32Å; P339-D345 HydrophobicContact CG-CB 4.39Å
340	D	88.9	Confident	96.6	Very high	175 Å²	175	44.5 Å²	44.5	94%	0.936	25%	0.245	S	C	*	.	S	Bend	trans	-61.3	-34.8	173.5	-69.6	-28.6	0	0	0	111.8
341	L	92.6	Very high	97.1	Very high	77 Å²	77	43.7 Å²	43.7	40%	0.403	23%	0.225	S	C	.	.	S	Bend	trans	-97.6	112.5	174.4	-62.7	179	0	0	0	110.2	F95 P339 Q343 T344	F95-L341 HydrophobicContact CE1-CD1 4.48Å; P339-L341 WeakPolarHBondContact CG-O 3.42Å; P339-L341 PolarHBondContact O-N 2.89Å; L341-Q343 PolarHBondContact O-N 2.9Å; L341-T344 WeakPolarHBondContact O-CB 3.49Å; L341-T344 PolarHBondContact O-N 2.88Å; L341-T344 PolarHBondContact O-OG1 2.91Å
342	A	96.4	Very high	97.3	Very high	42 Å²	42	35 Å²	35	35%	0.347	19%	0.188	S	C	.	.	H	α-helix	trans	-60.4	-20.5	176.8	0	0	0	0	0	113	T344 D345 L346 F363	A342-T344 VanDerWaalsContact C-N 3.26Å; A342-T344 PolarHBondContact O-N 3.33Å; A342-D345 WeakPolarHBondContact O-CB 3.48Å; A342-D345 PolarHBondContact O-N 2.83Å; A342-L346 PolarHBondContact O-N 2.9Å; A342-F363 HydrophobicContact CB-CE2 3.91Å; A342-F363 HydrophobicContact CB-CZ 4.27Å; A342-F363 WeakPolarHBondContact O-CZ 3.26Å
343	Q	98.3	Very high	97.3	Very high	9 Å²	9	37.4 Å²	37.4	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-65.2	-29.1	174.3	-71.8	74.6	12.8	0	0	112.5	F49 F95 W219 M223 L341 D345 L346 Y347	F49-Q343 HydrophobicContact CE2-CG 4.39Å; F95-Q343 HydrophobicContact CB-CG 4.38Å; F95-Q343 HydrophobicContact CD1-CB 4.2Å; F95-Q343 HydrophobicContact CD1-CG 3.89Å; F95-Q343 HydrophobicContact CD2-CG 3.78Å; F95-Q343 HydrophobicContact CE1-CB 4.39Å; F95-Q343 HydrophobicContact CE1-CG 4.06Å; F95-Q343 VanDerWaalsContact CE2-CD 3.49Å; F95-Q343 HydrophobicContact CE2-CG 3.97Å; F95-Q343 HydrophobicContact CG-CB 4.46Å; F95-Q343 HydrophobicContact CG-CG 3.76Å; F95-Q343 HydrophobicContact CZ-CG 4.09Å; W219-Q343 HydrophobicContact CH2-CB 4.28Å; W219-Q343 HydrophobicContact CZ3-CB 4.04Å; W219-Q343 HydrophobicContact CZ3-CG 4.32Å; M223-Q343 HydrophobicContact CE-CB 3.71Å; M223-Q343 HydrophobicContact SD-CB 4.22Å; L341-Q343 PolarHBondContact O-N 2.9Å; Q343-D345 VanDerWaalsContact C-N 3.33Å; Q343-L346 WeakPolarHBondContact O-CB 3.49Å; Q343-L346 PolarHBondContact O-N 2.82Å; Q343-Y347 PolarHBondContact O-N 3.21Å
344	T	98.5	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.8	-40.8	175	-55.3	0	0	0	0	110.2	E226 L337 P339 L341 A342 Y347 I348	E226-T344 PolarHBondContact OE1-OG1 3.11Å; L337-T344 HydrophobicContact CD2-CG2 4.24Å; P339-T344 HydrophobicContact CB-CG2 4.18Å; P339-T344 HydrophobicContact CG-CG2 4.37Å; L341-T344 WeakPolarHBondContact O-CB 3.49Å; L341-T344 PolarHBondContact O-N 2.88Å; L341-T344 PolarHBondContact O-OG1 2.91Å; A342-T344 VanDerWaalsContact C-N 3.26Å; A342-T344 PolarHBondContact O-N 3.33Å; T344-Y347 PolarHBondContact O-N 3.35Å; T344-I348 HydrophobicContact CG2-CD1 4.01Å; T344-I348 VanDerWaalsContact O-CG1 3.31Å; T344-I348 WeakPolarHBondContact O-CG1 3.43Å; T344-I348 PolarHBondContact O-N 3.39Å
345	D	98.8	Very high	97.3	Very high	10 Å²	10	32 Å²	32	5%	0.053	18%	0.175	C	C	.	.	H	α-helix	trans	-60.6	-47.4	171	-88.8	-21.4	0	0	0	111.9	Y312 A314 P339 A342 Q343 Y347 I348 L349 F363	Y312-D345 WeakPolarHBondContact CE1-OD1 3.48Å; Y312-D345 VanDerWaalsContact CZ-OD1 3.29Å; Y312-D345 PolarHBondContact OH-OD1 2.77Å; A314-D345 HydrophobicContact CB-CB 3.8Å; A314-D345 VanDerWaalsContact CB-CG 3.48Å; P339-D345 WeakPolarHBondContact CD-OD1 3.32Å; P339-D345 HydrophobicContact CG-CB 4.39Å; A342-D345 WeakPolarHBondContact O-CB 3.48Å; A342-D345 PolarHBondContact O-N 2.83Å; Q343-D345 VanDerWaalsContact C-N 3.33Å; D345-Y347 VanDerWaalsContact C-N 3.31Å; D345-Y347 PolarHBondContact O-N 2.9Å; D345-I348 PolarHBondContact O-N 2.83Å; D345-L349 WeakPolarHBondContact O-CB 3.48Å; D345-L349 WeakPolarHBondContact O-CG 3.33Å; D345-L349 PolarHBondContact O-N 2.02Å; D345-F363 HydrophobicContact CB-CE1 4.49Å; D345-F363 HydrophobicContact CB-CZ 4.15Å
346	L	98.9	Very high	97.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57.7	-44.7	178.3	-69.1	173.4	0	0	0	112	F49 W219 A342 Q343 L349 G350 F363 F366 V367	F49-L346 HydrophobicContact CD1-CD1 3.54Å; F49-L346 HydrophobicContact CE1-CD1 3.17Å; F49-L346 HydrophobicContact CZ-CD1 4.02Å; W219-L346 HydrophobicContact CH2-CB 3.83Å; W219-L346 HydrophobicContact CH2-CD1 4.41Å; W219-L346 HydrophobicContact CZ2-CB 3.97Å; A342-L346 PolarHBondContact O-N 2.9Å; Q343-L346 WeakPolarHBondContact O-CB 3.49Å; Q343-L346 PolarHBondContact O-N 2.82Å; L346-L349 PolarHBondContact O-N 2.97Å; L346-G350 PolarHBondContact O-N 3.07Å; L346-F363 HydrophobicContact CD1-CD2 4.27Å; L346-F363 HydrophobicContact CD1-CE2 3.78Å; L346-F363 HydrophobicContact CD1-CZ 4.18Å; L346-F363 HydrophobicContact CD2-CD1 3.61Å; L346-F363 HydrophobicContact CD2-CD2 3.79Å; L346-F363 HydrophobicContact CD2-CE1 3.39Å; L346-F363 HydrophobicContact CD2-CE2 3.56Å; L346-F363 HydrophobicContact CD2-CG 3.83Å; L346-F363 HydrophobicContact CD2-CZ 3.38Å; L346-F363 WeakPolarHBondContact CD2-O 3.39Å; L346-F363 HydrophobicContact CG-CD2 4.18Å; L346-F363 HydrophobicContact CG-CE1 3.91Å; L346-F363 HydrophobicContact CG-CE2 3.51Å; L346-F363 HydrophobicContact CG-CZ 3.38Å; L346-F366 HydrophobicContact CB-CD1 4.38Å; L346-F366 HydrophobicContact CD1-CD1 4.08Å; L346-F366 HydrophobicContact CD1-CE1 4.4Å; L346-F366 HydrophobicContact CD1-CG 4.37Å; L346-F366 HydrophobicContact CD2-CB 4.33Å; L346-F366 HydrophobicContact CD2-CD1 4.08Å; L346-F366 HydrophobicContact CD2-CG 4.46Å; L346-F366 HydrophobicContact CG-CD1 4.43Å; L346-V367 HydrophobicContact CD2-CG2 3.5Å
347	Y	98.9	Very high	97.4	Very high	8 Å²	8	29.7 Å²	29.7	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-60.2	-53	178.2	-175.2	-86.2	0	0	0	110.9	W219 V224 G227 E228 I231 Q343 T344 D345 L349 G350 Q351	W219-Y347 HydrophobicContact CB-CD2 4.3Å; W219-Y347 HydrophobicContact CB-CE2 4.28Å; W219-Y347 AromaticContact CD1-CD2 3.58Å; W219-Y347 AromaticContact CD1-CE2 3.79Å; W219-Y347 AromaticContact CD2-CD2 3.85Å; W219-Y347 HydrophobicContact CD2-CD2 3.85Å; W219-Y347 AromaticContact CE2-CD2 3.88Å; W219-Y347 AromaticContact CG-CD2 3.68Å; W219-Y347 HydrophobicContact CG-CD2 3.68Å; W219-Y347 AromaticContact CG-CE2 4Å; W219-Y347 HydrophobicContact CG-CE2 4Å; W219-Y347 AromaticContact NE1-CD2 3.71Å; V224-Y347 HydrophobicContact CB-CE2 4.31Å; V224-Y347 HydrophobicContact CG2-CE2 3.92Å; G227-Y347 VanDerWaalsContact CA-CD1 3.46Å; E228-Y347 HydrophobicContact CG-CE1 4.31Å; E228-Y347 WeakPolarHBondContact OE1-CE1 3.41Å; E228-Y347 PolarHBondContact OE1-OH 3.38Å; I231-Y347 HydrophobicContact CD1-CD1 4.47Å; I231-Y347 HydrophobicContact CD1-CE1 4.16Å; Q343-Y347 PolarHBondContact O-N 3.21Å; T344-Y347 PolarHBondContact O-N 3.35Å; D345-Y347 VanDerWaalsContact C-N 3.31Å; D345-Y347 PolarHBondContact O-N 2.9Å; Y347-L349 VanDerWaalsContact C-N 3.31Å; Y347-L349 PolarHBondContact O-N 3.4Å; Y347-G350 WeakPolarHBondContact O-CA 3.45Å; Y347-G350 PolarHBondContact O-N 3.22Å; Y347-Q351 HydrophobicContact CD1-CG 4.06Å; Y347-Q351 HydrophobicContact CE1-CG 3.61Å; Y347-Q351 WeakPolarHBondContact O-CG 3.3Å; Y347-Q351 PolarHBondContact O-N 3.45Å
348	I	98.9	Very high	97.5	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-62.7	-38.7	-177.4	-63.6	167.2	0	0	0	111.1	H230 I231 L235 Y239 Y312 L337 T344 D345 Q351 A352	H230-I348 HydrophobicContact CB-CD1 3.86Å; I231-I348 HydrophobicContact CD1-CG1 4.46Å; I231-I348 HydrophobicContact CG1-CG1 4.11Å; I231-I348 HydrophobicContact CG1-CG2 4.11Å; L235-I348 HydrophobicContact CD1-CG2 3.82Å; Y239-I348 HydrophobicContact CE2-CG2 4.26Å; Y239-I348 PolarHBondContact OH-O 2.92Å; Y312-I348 HydrophobicContact CD1-CB 4.23Å; Y312-I348 HydrophobicContact CD1-CG2 3.54Å; Y312-I348 HydrophobicContact CD2-CG2 3.74Å; Y312-I348 HydrophobicContact CE1-CB 3.91Å; Y312-I348 HydrophobicContact CE1-CD1 4.41Å; Y312-I348 HydrophobicContact CE1-CG2 3.68Å; Y312-I348 HydrophobicContact CE2-CB 4.49Å; Y312-I348 HydrophobicContact CE2-CD1 3.87Å; Y312-I348 HydrophobicContact CE2-CG2 3.85Å; Y312-I348 HydrophobicContact CG-CG2 3.56Å; Y312-I348 WeakPolarHBondContact OH-CD1 3.32Å; L337-I348 HydrophobicContact CD2-CD1 4.32Å; T344-I348 HydrophobicContact CG2-CD1 4.01Å; T344-I348 VanDerWaalsContact O-CG1 3.31Å; T344-I348 WeakPolarHBondContact O-CG1 3.43Å; T344-I348 PolarHBondContact O-N 3.39Å; D345-I348 PolarHBondContact O-N 2.83Å; I348-Q351 PolarHBondContact O-N 3.46Å; I348-A352 PolarHBondContact O-N 3.18Å
349	L	98.9	Very high	97.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.5	-40.3	173.7	-67.1	172.8	0	0	0	112	I242 H243 Y312 A314 D345 L346 Y347 Q351 A352 F355 F363 V367 R371	I242-L349 WeakPolarHBondContact O-CD2 3.41Å; H243-L349 HydrophobicContact CB-CD1 4.1Å; Y312-L349 HydrophobicContact CD1-CD2 4.07Å; A314-L349 HydrophobicContact CB-CD1 3.69Å; A314-L349 HydrophobicContact CB-CD2 4.17Å; A314-L349 HydrophobicContact CB-CG 4.08Å; D345-L349 WeakPolarHBondContact O-CB 3.48Å; D345-L349 WeakPolarHBondContact O-CG 3.33Å; D345-L349 PolarHBondContact O-N 2.02Å; L346-L349 PolarHBondContact O-N 2.97Å; Y347-L349 VanDerWaalsContact C-N 3.31Å; Y347-L349 PolarHBondContact O-N 3.4Å; L349-Q351 PolarHBondContact O-N 3.41Å; L349-A352 WeakPolarHBondContact O-CB 3.35Å; L349-A352 PolarHBondContact O-N 2.77Å; L349-F355 HydrophobicContact CB-CD2 4.24Å; L349-F355 HydrophobicContact CB-CE2 4.28Å; L349-F355 HydrophobicContact CD1-CE2 4.02Å; L349-F355 HydrophobicContact CD2-CD2 4.04Å; L349-F355 HydrophobicContact CD2-CE2 4.02Å; L349-F355 HydrophobicContact CG-CE2 4.35Å; L349-F363 HydrophobicContact CD1-CE1 4.36Å; L349-V367 HydrophobicContact CB-CG1 3.8Å; L349-V367 HydrophobicContact CB-CG2 3.94Å; L349-V367 HydrophobicContact CD1-CG2 4.03Å; L349-R371 PolarHBondContact O-NH1 3.37Å
350	G	98.8	Very high	97.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57.3	-36.9	175.7	0	0	0	0	0	112.5	L346 Y347 R371	L346-G350 PolarHBondContact O-N 3.07Å; Y347-G350 WeakPolarHBondContact O-CA 3.45Å; Y347-G350 PolarHBondContact O-N 3.22Å; G350-R371 PolarHBondContact O-NH1 3.27Å
351	Q	98.9	Very high	98.3	Very high	41 Å²	41	12.2 Å²	12.2	19%	0.192	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-2.5	-179.7	-58.5	-50.7	-30.8	0	0	115.1	I231 R237 Y239 Y347 I348 L349	I231-Q351 HydrophobicContact CD1-CB 3.68Å; I231-Q351 HydrophobicContact CD1-CG 3.87Å; R237-Q351 VanDerWaalsContact CZ-O 3.31Å; R237-Q351 PolarHBondContact NH1-O 3.45Å; R237-Q351 PolarHBondContact NH2-O 3.09Å; Y239-Q351 WeakPolarHBondContact OH-CB 3.33Å; Y239-Q351 PolarHBondContact OH-O 2.94Å; Y347-Q351 HydrophobicContact CD1-CG 4.06Å; Y347-Q351 HydrophobicContact CE1-CG 3.61Å; Y347-Q351 WeakPolarHBondContact O-CG 3.3Å; Y347-Q351 PolarHBondContact O-N 3.45Å; I348-Q351 PolarHBondContact O-N 3.46Å; L349-Q351 PolarHBondContact O-N 3.41Å
352	A	98.9	Very high	98.6	Very high	2 Å²	2	9.1 Å²	9.1	2%	0.017	5%	0.054	C	C	.	.			trans	-63.7	150.2	-175.3	0	0	0	0	0	113.4	Y239 I348 L349 H354 R371	Y239-A352 HydrophobicContact CD2-CB 3.96Å; Y239-A352 VanDerWaalsContact CE2-CA 3.46Å; Y239-A352 HydrophobicContact CE2-CB 3.44Å; Y239-A352 VanDerWaalsContact CE2-CB 3.44Å; Y239-A352 WeakPolarHBondContact OH-CA 3.45Å; Y239-A352 PolarHBondContact OH-N 2.65Å; Y239-A352 VanDerWaalsContact OH-N 3.17Å; I348-A352 PolarHBondContact O-N 3.18Å; L349-A352 WeakPolarHBondContact O-CB 3.35Å; L349-A352 PolarHBondContact O-N 2.77Å; A352-H354 VanDerWaalsContact C-N 3.26Å; A352-H354 WeakPolarHBondContact CB-O 3.29Å; A352-H354 PolarHBondContact O-N 3.48Å; A352-R371 VanDerWaalsContact O-CZ 3.23Å; A352-R371 PolarHBondContact O-NH1 3.03Å; A352-R371 PolarHBondContact O-NH2 3.37Å
353	D	98.8	Very high	98.7	Very high	62 Å²	62	8.6 Å²	8.6	33%	0.332	4%	0.044	S	C	.	.	S	Bend	trans	-68.4	-32.5	172.3	-60.4	-98.5	0	0	0	110.6	R237 P238 Y239	R237-D353 IonicContact NH1-OD1 3.71Å; R237-D353 IonicContact NH1-OD2 2.91Å; R237-D353 PolarHBondContact NH1-OD2 3.25Å; P238-D353 VanDerWaalsContact CA-CG 3.45Å; P238-D353 WeakPolarHBondContact CA-OD2 3.39Å; P238-D353 HydrophobicContact CB-CB 3.87Å; Y239-D353 PolarHBondContact N-OD2 3.16Å; Y239-D353 WeakPolarHBondContact O-CB 3.41Å; Y239-D353 PolarHBondContact O-N 3.19Å
354	H	98.9	Very high	98.8	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	139.8	164.9	-173.6	78.7	0	0	0	111	Y239 V240 G241 W302 T306 A352 S377 S379	Y239-H354 PolarHBondContact O-N 2.83Å; V240-H354 CarbonylContact C-O 3.57Å; V240-H354 WeakPolarHBondContact CA-O 3Å; V240-H354 HydrophobicContact CG2-CB 4.45Å; G241-H354 PolarHBondContact N-O 2.9Å; W302-H354 AromaticContact CD1-NE2 3.83Å; W302-H354 AromaticContact CD2-CD2 3.42Å; W302-H354 VanDerWaalsContact CD2-CD2 3.42Å; W302-H354 AromaticContact CD2-CE1 3.62Å; W302-H354 AromaticContact CD2-CG 4Å; W302-H354 AromaticContact CD2-NE2 3.16Å; W302-H354 AromaticContact CE2-CD2 3.93Å; W302-H354 AromaticContact CE2-CE1 3.55Å; W302-H354 AromaticContact CE2-NE2 3.15Å; W302-H354 AromaticContact CE3-CD2 3.57Å; W302-H354 AromaticContact CE3-CE1 3.48Å; W302-H354 VanDerWaalsContact CE3-CE1 3.48Å; W302-H354 AromaticContact CE3-CG 3.64Å; W302-H354 AromaticContact CE3-ND1 3.57Å; W302-H354 AromaticContact CE3-NE2 3.48Å; W302-H354 AromaticContact CG-CD2 3.6Å; W302-H354 AromaticContact CG-NE2 3.63Å; W302-H354 AromaticContact CH2-CE1 3.22Å; W302-H354 WeakPolarHBondContact CH2-CE1 3.3Å; W302-H354 AromaticContact CH2-ND1 3.82Å; W302-H354 AromaticContact CH2-NE2 3.76Å; W302-H354 AromaticContact CZ2-CE1 3.38Å; W302-H354 WeakPolarHBondContact CZ2-CE1 3.38Å; W302-H354 AromaticContact CZ2-NE2 3.49Å; W302-H354 WeakPolarHBondContact CZ2-NE2 3.38Å; W302-H354 AromaticContact CZ3-CE1 3.27Å; W302-H354 WeakPolarHBondContact CZ3-CE1 3.42Å; W302-H354 AromaticContact CZ3-CG 3.98Å; W302-H354 AromaticContact CZ3-ND1 3.4Å; W302-H354 WeakPolarHBondContact CZ3-ND1 3.34Å; W302-H354 AromaticContact CZ3-NE2 3.76Å; W302-H354 AromaticContact NE1-NE2 3.55Å; T306-H354 HydrophobicContact CG2-CB 3.69Å; A352-H354 VanDerWaalsContact C-N 3.26Å; A352-H354 WeakPolarHBondContact CB-O 3.29Å; A352-H354 PolarHBondContact O-N 3.48Å; H354-S377 PolarHBondContact CE1-OG 3.38Å; H354-S377 PolarHBondContact ND1-O 2.95Å; H354-S377 PolarHBondContact ND1-OG 2.89Å; H354-S379 WeakPolarHBondContact NE2-CB 3.26Å; H354-S379 PolarHBondContact NE2-OG 2.62Å
355	F	98.9	Very high	98.8	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.8	178	170.5	-123.6	0	0	0	111.3	G241 H243 L349 V367 R371 S377 S378 S379	G241-F355 CarbonylContact O-C 3.41Å; G241-F355 VanDerWaalsContact O-CA 3.32Å; G241-F355 WeakPolarHBondContact O-CA 3.3Å; G241-F355 WeakPolarHBondContact O-CD2 3.02Å; H243-F355 HydrophobicContact CB-CE2 3.95Å; H243-F355 HydrophobicContact CB-CZ 4.22Å; L349-F355 HydrophobicContact CB-CD2 4.24Å; L349-F355 HydrophobicContact CB-CE2 4.28Å; L349-F355 HydrophobicContact CD1-CE2 4.02Å; L349-F355 HydrophobicContact CD2-CD2 4.04Å; L349-F355 HydrophobicContact CD2-CE2 4.02Å; L349-F355 HydrophobicContact CG-CE2 4.35Å; F355-V367 HydrophobicContact CD1-CB 4.32Å; F355-V367 HydrophobicContact CD1-CG1 3.66Å; F355-V367 HydrophobicContact CD2-CG1 4.04Å; F355-V367 HydrophobicContact CE1-CB 3.83Å; F355-V367 HydrophobicContact CE1-CG1 3.66Å; F355-V367 HydrophobicContact CE2-CB 4.48Å; F355-V367 HydrophobicContact CE2-CG1 4.06Å; F355-V367 HydrophobicContact CG-CG1 3.86Å; F355-V367 HydrophobicContact CZ-CB 3.91Å; F355-V367 HydrophobicContact CZ-CG1 3.86Å; F355-V367 HydrophobicContact CZ-CG2 4.45Å; F355-R371 VanDerWaalsContact CB-CD 3.47Å; F355-R371 VanDerWaalsContact CB-NE 3.25Å; F355-S377 PolarHBondContact N-O 3.16Å; F355-S378 CarbonylContact O-C 3.49Å; F355-S378 VanDerWaalsContact O-CA 3.29Å; F355-S378 WeakPolarHBondContact O-CA 3.27Å; F355-S379 PolarHBondContact O-N 3.09Å
356	I	98.9	Very high	98.8	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	108.7	170.8	-47.6	168.9	0	0	0	108.4	V240 G241 I242 H243 T298 V299 W302 S379 F381	V240-I356 HydrophobicContact CG1-CD1 3.64Å; V240-I356 HydrophobicContact CG1-CG1 3.99Å; G241-I356 PolarHBondContact O-N 3.03Å; I242-I356 WeakPolarHBondContact CA-O 3.31Å; I242-I356 HydrophobicContact CB-CB 4.43Å; I242-I356 HydrophobicContact CG2-CB 3.9Å; I242-I356 HydrophobicContact CG2-CD1 3.76Å; I242-I356 HydrophobicContact CG2-CG1 4.11Å; H243-I356 PolarHBondContact N-O 2.91Å; T298-I356 HydrophobicContact CG2-CD1 4.22Å; T298-I356 HydrophobicContact CG2-CG2 3.91Å; V299-I356 HydrophobicContact CG2-CD1 4.39Å; W302-I356 HydrophobicContact CB-CD1 3.96Å; W302-I356 HydrophobicContact CG-CD1 4.1Å; W302-I356 HydrophobicContact CG-CG1 4.38Å; I356-S379 WeakPolarHBondContact CA-O 3.42Å; I356-F381 HydrophobicContact CB-CE2 4.45Å; I356-F381 HydrophobicContact CB-CZ 4.24Å; I356-F381 HydrophobicContact CG2-CD1 3.9Å; I356-F381 HydrophobicContact CG2-CD2 3.96Å; I356-F381 HydrophobicContact CG2-CE1 3.68Å; I356-F381 HydrophobicContact CG2-CE2 3.75Å; I356-F381 HydrophobicContact CG2-CG 4.04Å; I356-F381 HydrophobicContact CG2-CZ 3.61Å
357	G	98.8	Very high	98.8	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	170.5	-177.7	0	0	0	0	0	114.4	S379 F380 F381	G357-S379 PolarHBondContact N-O 3.05Å; G357-F380 VanDerWaalsContact O-CA 3.32Å; G357-F380 WeakPolarHBondContact O-CA 3.02Å; G357-F381 WeakPolarHBondContact O-CD2 3.45Å; G357-F381 PolarHBondContact O-N 3.38Å; G357-F381 VanDerWaalsContact O-N 3.12Å
358	N	98.8	Very high	98.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.047	C	C	.	.			trans	-91.6	127.5	163.3	-177.4	-70.8	0	0	0	109	R245 C288 V360 S361 S364	R245-N358 HydrophobicContact CB-CB 4.11Å; C288-N358 PolarHBondContact O-ND2 3.03Å; N358-V360 VanDerWaalsContact C-N 3.32Å; N358-V360 PolarHBondContact O-N 3.14Å; N358-V360 PolarHBondContact OD1-N 3.4Å; N358-S361 PolarHBondContact O-N 3.11Å; N358-S361 PolarHBondContact OD1-N 3.01Å; N358-S361 VanDerWaalsContact OD1-N 3.17Å; N358-S364 PolarHBondContact N-OG 3.12Å; N358-S364 WeakPolarHBondContact O-CB 3.2Å; N358-S364 PolarHBondContact O-OG 3.49Å
359	C	98.3	Very high	98.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.049	C	C	.	.	S	Bend	trans	-66.3	-34.1	-171.9	-173.7	0	0	0	0	113.6	A268 S269 Q271 C272 A287 F380 F383	A268-C359 CarbonylContact C-O 3.56Å; A268-C359 VanDerWaalsContact C-O 3.28Å; S269-C359 WeakPolarHBondContact CA-O 3.21Å; S269-C359 PolarHBondContact N-O 3.29Å; Q271-C359 PolarHBondContact NE2-O 3.29Å; C272-C359 HydrophobicContact CB-CB 4.22Å; C272-C359 WeakPolarHBondContact CB-SG 3.49Å; C272-C359 WeakPolarHBondContact SG-CA 3.43Å; C272-C359 WeakPolarHBondContact SG-CB 3.42Å; C272-C359 CovalentContact SG-SG 2.02Å; C272-C359 PolarHBondContact SG-SG 3.23Å; A287-C359 HydrophobicContact CB-CB 3.91Å; A287-C359 PolarHBondContact O-N 3.39Å; C359-F380 HydrophobicContact CB-CB 4.46Å; C359-F380 HydrophobicContact CB-CD1 4.34Å; C359-F383 HydrophobicContact CB-CD2 4.4Å; C359-F383 HydrophobicContact CB-CE2 4Å
360	V	98.4	Very high	98.8	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	S	Bend	trans	-88.4	-16.6	-172.1	179.8	0	0	0	0	111.2	W250 F266 M267 A268 L283 C288 N358	W250-V360 HydrophobicContact CH2-CB 4.33Å; W250-V360 HydrophobicContact CH2-CG1 3.83Å; W250-V360 HydrophobicContact CZ2-CB 3.73Å; W250-V360 HydrophobicContact CZ2-CG1 3.62Å; F266-V360 HydrophobicContact CD1-CG1 3.44Å; F266-V360 VanDerWaalsContact CD1-CG1 3.44Å; F266-V360 HydrophobicContact CE1-CG1 3.78Å; F266-V360 HydrophobicContact CG-CG1 4.42Å; M267-V360 HydrophobicContact CB-CG1 3.79Å; M267-V360 VanDerWaalsContact CB-O 3.31Å; M267-V360 WeakPolarHBondContact CB-O 3.42Å; M267-V360 HydrophobicContact CG-CG1 4.1Å; M267-V360 HydrophobicContact SD-CG1 4.43Å; A268-V360 WeakPolarHBondContact CB-O 3.49Å; A268-V360 PolarHBondContact N-O 3.32Å; L283-V360 HydrophobicContact CD1-CG2 4.09Å; L283-V360 HydrophobicContact CD2-CG2 3.75Å; L283-V360 HydrophobicContact CG-CG2 4.38Å; C288-V360 HydrophobicContact CB-CB 4.47Å; C288-V360 HydrophobicContact CB-CG2 3.79Å; N358-V360 VanDerWaalsContact C-N 3.32Å; N358-V360 PolarHBondContact O-N 3.14Å; N358-V360 PolarHBondContact OD1-N 3.4Å
361	S	98.8	Very high	98.8	Very high	4 Å²	4	10 Å²	10	3%	0.028	5%	0.05	C	C	.	.			trans	-82.8	127	-176.5	-174.7	0	0	0	0	113.5	H243 Q271 N358 F363 S364 A365	H243-S361 PolarHBondContact CE1-OG 2.97Å; Q271-S361 PolarHBondContact NE2-O 3.3Å; N358-S361 PolarHBondContact O-N 3.11Å; N358-S361 PolarHBondContact OD1-N 3.01Å; N358-S361 VanDerWaalsContact OD1-N 3.17Å; S361-F363 PolarHBondContact O-N 2.9Å; S361-F363 WeakPolarHBondContact OG-CB 3.49Å; S361-F363 PolarHBondContact OG-N 3.19Å; S361-S364 PolarHBondContact O-N 2.91Å; S361-A365 PolarHBondContact O-N 3.08Å
362	S	98.8	Very high	98.8	Very high	12 Å²	12	11.5 Å²	11.5	8%	0.084	6%	0.059	C	C	.	.	H	α-helix	trans	-70.2	-19.6	170.2	56.9	0	0	0	0	113.5	G50 N51 A365 F366	G50-S362 VanDerWaalsContact C-OG 3.28Å; G50-S362 WeakPolarHBondContact CA-OG 3.22Å; N51-S362 PolarHBondContact N-OG 3.32Å; S362-A365 WeakPolarHBondContact O-CB 3.36Å; S362-A365 PolarHBondContact O-N 3.14Å; S362-F366 PolarHBondContact O-N 3.08Å
363	F	98.8	Very high	98.8	Very high	31 Å²	31	13.9 Å²	13.9	14%	0.136	7%	0.074	C	C	.	.	H	α-helix	trans	-67.4	-43.2	170.3	-169.7	-91.3	0	0	0	110.9	H243 A342 D345 L346 L349 S361 A365 F366	H243-F363 AromaticContact CD2-CD1 3.74Å; H243-F363 AromaticContact CE1-CD1 3.66Å; H243-F363 AromaticContact NE2-CD1 3.44Å; H243-F363 WeakPolarHBondContact NE2-CD1 3.23Å; A342-F363 HydrophobicContact CB-CE2 3.91Å; A342-F363 HydrophobicContact CB-CZ 4.27Å; A342-F363 WeakPolarHBondContact O-CZ 3.26Å; D345-F363 HydrophobicContact CB-CE1 4.49Å; D345-F363 HydrophobicContact CB-CZ 4.15Å; L346-F363 HydrophobicContact CD1-CD2 4.27Å; L346-F363 HydrophobicContact CD1-CE2 3.78Å; L346-F363 HydrophobicContact CD1-CZ 4.18Å; L346-F363 HydrophobicContact CD2-CD1 3.61Å; L346-F363 HydrophobicContact CD2-CD2 3.79Å; L346-F363 HydrophobicContact CD2-CE1 3.39Å; L346-F363 HydrophobicContact CD2-CE2 3.56Å; L346-F363 HydrophobicContact CD2-CG 3.83Å; L346-F363 HydrophobicContact CD2-CZ 3.38Å; L346-F363 WeakPolarHBondContact CD2-O 3.39Å; L346-F363 HydrophobicContact CG-CD2 4.18Å; L346-F363 HydrophobicContact CG-CE1 3.91Å; L346-F363 HydrophobicContact CG-CE2 3.51Å; L346-F363 HydrophobicContact CG-CZ 3.38Å; L349-F363 HydrophobicContact CD1-CE1 4.36Å; S361-F363 PolarHBondContact O-N 2.9Å; S361-F363 WeakPolarHBondContact OG-CB 3.49Å; S361-F363 PolarHBondContact OG-N 3.19Å; F363-A365 VanDerWaalsContact C-N 3.33Å; F363-F366 PolarHBondContact O-N 2.88Å
364	S	98.9	Very high	98.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.5	-36	168.9	-76.6	0	0	0	0	112.7	H243 N358 S361 F366 V367 K368	H243-S364 PolarHBondContact ND1-OG 3.4Å; N358-S364 PolarHBondContact N-OG 3.12Å; N358-S364 WeakPolarHBondContact O-CB 3.2Å; N358-S364 PolarHBondContact O-OG 3.49Å; S361-S364 PolarHBondContact O-N 2.91Å; S364-F366 VanDerWaalsContact C-N 3.29Å; S364-F366 PolarHBondContact O-N 3.32Å; S364-V367 PolarHBondContact O-N 3.3Å; S364-K368 WeakPolarHBondContact O-CB 3.38Å; S364-K368 PolarHBondContact O-N 2.96Å
365	A	98.9	Very high	98.7	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.033	11%	0.112	C	C	.	.	H	α-helix	trans	-60.5	-39.3	178.2	0	0	0	0	0	112	A268 S361 S362 F363 V367 K368 R369	A268-A365 HydrophobicContact CB-CB 4.16Å; S361-A365 PolarHBondContact O-N 3.08Å; S362-A365 WeakPolarHBondContact O-CB 3.36Å; S362-A365 PolarHBondContact O-N 3.14Å; F363-A365 VanDerWaalsContact C-N 3.33Å; A365-V367 PolarHBondContact O-N 2.97Å; A365-K368 PolarHBondContact O-N 2.75Å; A365-R369 VanDerWaalsContact O-CG 3.28Å; A365-R369 WeakPolarHBondContact O-CG 3.14Å; A365-R369 PolarHBondContact O-N 2.9Å
366	F	98.9	Very high	98.7	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.009	13%	0.128	C	C	.	.	H	α-helix	trans	-55	-53.3	173.1	-175	-79.8	0	0	0	111.6	F49 A53 F96 V217 W219 L346 S362 F363 S364 K368 R369 E370	F49-F366 AromaticContact CE1-CD2 3.72Å; F49-F366 HydrophobicContact CE1-CD2 3.72Å; F49-F366 AromaticContact CE1-CE2 3.9Å; F49-F366 HydrophobicContact CE1-CE2 3.9Å; F49-F366 HydrophobicContact CE1-CG 4.13Å; F49-F366 HydrophobicContact CE1-CZ 4.49Å; F49-F366 HydrophobicContact CZ-CD2 4.07Å; F49-F366 AromaticContact CZ-CE2 3.79Å; F49-F366 HydrophobicContact CZ-CE2 3.79Å; F49-F366 HydrophobicContact CZ-CZ 4.33Å; A53-F366 HydrophobicContact CB-CD2 3.8Å; A53-F366 HydrophobicContact CB-CE2 4.26Å; F96-F366 HydrophobicContact CE1-CE2 4.44Å; F96-F366 AromaticContact CE1-CZ 3.75Å; F96-F366 HydrophobicContact CE1-CZ 3.75Å; F96-F366 AromaticContact CZ-CE2 3.94Å; F96-F366 HydrophobicContact CZ-CE2 3.94Å; F96-F366 AromaticContact CZ-CZ 3.6Å; F96-F366 HydrophobicContact CZ-CZ 3.6Å; V217-F366 HydrophobicContact CG1-CE2 4.25Å; V217-F366 HydrophobicContact CG1-CZ 4.17Å; W219-F366 AromaticContact CH2-CE1 3.95Å; W219-F366 HydrophobicContact CH2-CE1 3.95Å; W219-F366 HydrophobicContact CH2-CZ 4.16Å; W219-F366 AromaticContact CZ2-CE1 3.55Å; W219-F366 HydrophobicContact CZ2-CE1 3.55Å; W219-F366 HydrophobicContact CZ2-CZ 4.04Å; L346-F366 HydrophobicContact CB-CD1 4.38Å; L346-F366 HydrophobicContact CD1-CD1 4.08Å; L346-F366 HydrophobicContact CD1-CE1 4.4Å; L346-F366 HydrophobicContact CD1-CG 4.37Å; L346-F366 HydrophobicContact CD2-CB 4.33Å; L346-F366 HydrophobicContact CD2-CD1 4.08Å; L346-F366 HydrophobicContact CD2-CG 4.46Å; L346-F366 HydrophobicContact CG-CD1 4.43Å; S362-F366 PolarHBondContact O-N 3.08Å; F363-F366 PolarHBondContact O-N 2.88Å; S364-F366 VanDerWaalsContact C-N 3.29Å; S364-F366 PolarHBondContact O-N 3.32Å; F366-K368 PolarHBondContact O-N 2.78Å; F366-R369 PolarHBondContact O-N 3.29Å; F366-E370 PolarHBondContact O-N 2.96Å
367	V	98.9	Very high	98.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.8	-44.9	179.2	-179.8	0	0	0	0	111	L346 L349 F355 S364 A365 R369 E370 R371	L346-V367 HydrophobicContact CD2-CG2 3.5Å; L349-V367 HydrophobicContact CB-CG1 3.8Å; L349-V367 HydrophobicContact CB-CG2 3.94Å; L349-V367 HydrophobicContact CD1-CG2 4.03Å; F355-V367 HydrophobicContact CD1-CB 4.32Å; F355-V367 HydrophobicContact CD1-CG1 3.66Å; F355-V367 HydrophobicContact CD2-CG1 4.04Å; F355-V367 HydrophobicContact CE1-CB 3.83Å; F355-V367 HydrophobicContact CE1-CG1 3.66Å; F355-V367 HydrophobicContact CE2-CB 4.48Å; F355-V367 HydrophobicContact CE2-CG1 4.06Å; F355-V367 HydrophobicContact CG-CG1 3.86Å; F355-V367 HydrophobicContact CZ-CB 3.91Å; F355-V367 HydrophobicContact CZ-CG1 3.86Å; F355-V367 HydrophobicContact CZ-CG2 4.45Å; S364-V367 PolarHBondContact O-N 3.3Å; A365-V367 PolarHBondContact O-N 2.97Å; V367-R369 VanDerWaalsContact C-N 3.33Å; V367-R369 PolarHBondContact O-N 3.18Å; V367-E370 PolarHBondContact O-N 3.13Å; V367-R371 HydrophobicContact CG1-CG 4.21Å; V367-R371 WeakPolarHBondContact O-CB 3.38Å; V367-R371 WeakPolarHBondContact O-CG 3.31Å; V367-R371 PolarHBondContact O-N 3.2Å
368	K	98.9	Very high	98.6	Very high	35 Å²	35	26 Å²	26	15%	0.152	15%	0.153	C	C	.	.	H	α-helix	trans	-57.4	-47.1	179.3	179.6	63.4	165	70.5	0	111	S364 A365 F366 R371 D372 F380	S364-K368 WeakPolarHBondContact O-CB 3.38Å; S364-K368 PolarHBondContact O-N 2.96Å; A365-K368 PolarHBondContact O-N 2.75Å; F366-K368 PolarHBondContact O-N 2.78Å; K368-R371 PolarHBondContact O-N 2.91Å; K368-D372 IonicContact NZ-OD1 3.66Å; K368-D372 PolarHBondContact NZ-OD1 2.89Å; K368-D372 IonicContact NZ-OD2 3.5Å; K368-D372 PolarHBondContact NZ-OD2 3.25Å; K368-D372 WeakPolarHBondContact O-CB 3.42Å; K368-D372 PolarHBondContact O-N 3.1Å; K368-F380 HydrophobicContact CB-CZ 4.32Å; K368-F380 HydrophobicContact CD-CE2 4.23Å; K368-F380 HydrophobicContact CD-CZ 3.83Å; K368-F380 HydrophobicContact CG-CZ 3.89Å
369	R	98.9	Very high	98.6	Very high	10 Å²	10	26.2 Å²	26.2	4%	0.038	15%	0.154	C	C	.	.	H	α-helix	trans	-62.8	-44.4	177.7	-69.5	-168.8	-63	-95.9	5.1	112.3	D54 V211 Q214 A365 F366 V367 R371 D372 V373	D54-R369 IonicContact OD1-CZ 3.18Å; D54-R369 IonicContact OD1-NH1 2.81Å; D54-R369 PolarHBondContact OD1-NH1 3.35Å; D54-R369 IonicContact OD1-NH2 2.69Å; D54-R369 PolarHBondContact OD1-NH2 2.91Å; D54-R369 IonicContact OD2-NH1 3.83Å; V211-R369 HydrophobicContact CG1-CG 3.67Å; Q214-R369 HydrophobicContact CB-CB 3.74Å; Q214-R369 HydrophobicContact CG-CB 3.62Å; A365-R369 VanDerWaalsContact O-CG 3.28Å; A365-R369 WeakPolarHBondContact O-CG 3.14Å; A365-R369 PolarHBondContact O-N 2.9Å; F366-R369 PolarHBondContact O-N 3.29Å; V367-R369 VanDerWaalsContact C-N 3.33Å; V367-R369 PolarHBondContact O-N 3.18Å; R369-R371 VanDerWaalsContact C-N 3.26Å; R369-R371 PolarHBondContact O-N 2.04Å; R369-D372 PolarHBondContact O-N 2.87Å; R369-V373 WeakPolarHBondContact O-CG2 3.43Å; R369-V373 PolarHBondContact O-N 2.89Å; R369-V373 VanDerWaalsContact O-N 3.1Å
370	E	98.9	Very high	98.6	Very high	6 Å²	6	27 Å²	27	3%	0.028	16%	0.158	C	C	.	.	H	α-helix	trans	-58.9	-41.8	177.6	178.1	179.6	163.1	0	0	111.2	Q214 W219 F366 V367 V373 R374	Q214-E370 HydrophobicContact CG-CB 4.42Å; W219-E370 PolarHBondContact NE1-OE1 3.12Å; W219-E370 PolarHBondContact NE1-OE2 3.11Å; W219-E370 VanDerWaalsContact NE1-OE2 3.11Å; F366-E370 PolarHBondContact O-N 2.96Å; V367-E370 PolarHBondContact O-N 3.13Å; E370-V373 WeakPolarHBondContact O-CG2 3.48Å; E370-R374 VanDerWaalsContact CG-CZ 3.44Å; E370-R374 WeakPolarHBondContact O-CG 3.36Å; E370-R374 IonicContact OE1-CZ 3.05Å; E370-R374 IonicContact OE1-NH1 2.74Å; E370-R374 PolarHBondContact OE1-NH1 2.85Å; E370-R374 IonicContact OE1-NH2 3.61Å; E370-R374 PolarHBondContact OE1-NH2 3.1Å
371	R	98.8	Very high	98.6	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-70.9	-42.3	179	-69.9	-179.2	70.8	75.5	-3	112	L349 G350 A352 F355 V367 K368 R369 V373 R374 G375 L376 S377 S378	L349-R371 PolarHBondContact O-NH1 3.37Å; G350-R371 PolarHBondContact O-NH1 3.27Å; A352-R371 VanDerWaalsContact O-CZ 3.23Å; A352-R371 PolarHBondContact O-NH1 3.03Å; A352-R371 PolarHBondContact O-NH2 3.37Å; F355-R371 VanDerWaalsContact CB-CD 3.47Å; F355-R371 VanDerWaalsContact CB-NE 3.25Å; V367-R371 HydrophobicContact CG1-CG 4.21Å; V367-R371 WeakPolarHBondContact O-CB 3.38Å; V367-R371 WeakPolarHBondContact O-CG 3.31Å; V367-R371 PolarHBondContact O-N 3.2Å; K368-R371 PolarHBondContact O-N 2.91Å; R369-R371 VanDerWaalsContact C-N 3.26Å; R369-R371 PolarHBondContact O-N 2.04Å; R371-V373 PolarHBondContact O-N 2.63Å; R371-R374 CarbonylContact O-C 3.28Å; R371-R374 PolarHBondContact O-N 2.94Å; R371-R374 VanDerWaalsContact O-N 3.09Å; R371-G375 PolarHBondContact O-N 2.78Å; R371-L376 HydrophobicContact CB-CB 3.91Å; R371-L376 HydrophobicContact CG-CB 4.2Å; R371-L376 HydrophobicContact CG-CD1 4.41Å; R371-L376 PolarHBondContact O-N 3.32Å; R371-S377 PolarHBondContact NE-O 2.83Å; R371-S377 PolarHBondContact NH2-O 3.27Å; R371-S378 WeakPolarHBondContact CD-OG 3.23Å; R371-S378 PolarHBondContact NE-OG 3.3Å
372	D	98.7	Very high	98.4	Very high	72 Å²	72	27.6 Å²	27.6	39%	0.385	17%	0.165	S	C	.	.	H	α-helix	trans	-61.7	-44	179.6	-72.1	-15.9	0	0	0	112	K368 R369 R374 G375	K368-D372 IonicContact NZ-OD1 3.66Å; K368-D372 PolarHBondContact NZ-OD1 2.89Å; K368-D372 IonicContact NZ-OD2 3.5Å; K368-D372 PolarHBondContact NZ-OD2 3.25Å; K368-D372 WeakPolarHBondContact O-CB 3.42Å; K368-D372 PolarHBondContact O-N 3.1Å; R369-D372 PolarHBondContact O-N 2.87Å; D372-R374 PolarHBondContact O-N 3.15Å; D372-R374 VanDerWaalsContact O-N 3.13Å; D372-G375 PolarHBondContact O-N 3.3Å
373	V	98.3	Very high	98	Very high	52 Å²	52	29.3 Å²	29.3	32%	0.315	17%	0.171	S	C	.	.	H	α-helix	trans	-65.4	-17	177.7	-60.6	0	0	0	0	113.1	Q214 R215 R369 E370 R371	Q214-V373 HydrophobicContact CB-CG1 4.44Å; R215-V373 HydrophobicContact CB-CB 4.29Å; R215-V373 HydrophobicContact CB-CG1 4.24Å; R215-V373 HydrophobicContact CB-CG2 4.48Å; R369-V373 WeakPolarHBondContact O-CG2 3.43Å; R369-V373 PolarHBondContact O-N 2.89Å; R369-V373 VanDerWaalsContact O-N 3.1Å; E370-V373 WeakPolarHBondContact O-CG2 3.48Å; R371-V373 PolarHBondContact O-N 2.63Å
374	R	98.3	Very high	96.8	Very high	108 Å²	108	33.7 Å²	33.7	41%	0.408	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-0.4	175.2	-62.2	178.6	-165	158.3	10.2	113.6	E370 R371 D372 L376	E370-R374 VanDerWaalsContact CG-CZ 3.44Å; E370-R374 WeakPolarHBondContact O-CG 3.36Å; E370-R374 IonicContact OE1-CZ 3.05Å; E370-R374 IonicContact OE1-NH1 2.74Å; E370-R374 PolarHBondContact OE1-NH1 2.85Å; E370-R374 IonicContact OE1-NH2 3.61Å; E370-R374 PolarHBondContact OE1-NH2 3.1Å; R371-R374 CarbonylContact O-C 3.28Å; R371-R374 PolarHBondContact O-N 2.94Å; R371-R374 VanDerWaalsContact O-N 3.09Å; D372-R374 PolarHBondContact O-N 3.15Å; D372-R374 VanDerWaalsContact O-N 3.13Å; R374-L376 VanDerWaalsContact C-N 3.33Å; R374-L376 HydrophobicContact CB-CD1 4.08Å; R374-L376 HydrophobicContact CB-CG 3.89Å; R374-L376 PolarHBondContact O-N 2.79Å
375	G	98.2	Very high	94.8	Very high	72 Å²	72	39.2 Å²	39.2	74%	0.742	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.9	26.3	-176.2	0	0	0	0	0	114.8	R371 D372	R371-G375 PolarHBondContact O-N 2.78Å; D372-G375 PolarHBondContact O-N 3.3Å
376	L	98.4	Very high	92	Very high	62 Å²	62	44.2 Å²	44.2	33%	0.325	25%	0.251	S	S	.	.			trans	-88.9	144.7	-177.9	-60.5	176.8	0	0	0	112.6	R371 R374	R371-L376 HydrophobicContact CB-CB 3.91Å; R371-L376 HydrophobicContact CG-CB 4.2Å; R371-L376 HydrophobicContact CG-CD1 4.41Å; R371-L376 PolarHBondContact O-N 3.32Å; R374-L376 VanDerWaalsContact C-N 3.33Å; R374-L376 HydrophobicContact CB-CD1 4.08Å; R374-L376 HydrophobicContact CB-CG 3.89Å; R374-L376 PolarHBondContact O-N 2.79Å
377	S	98.1	Very high	89	Confident	57 Å²	57	49.6 Å²	49.6	40%	0.399	28%	0.284	S	S	.	.			trans	-72.9	129.9	-172	-172.1	0	0	0	0	113.3	H354 F355 R371	H354-S377 PolarHBondContact CE1-OG 3.38Å; H354-S377 PolarHBondContact ND1-O 2.95Å; H354-S377 PolarHBondContact ND1-OG 2.89Å; F355-S377 PolarHBondContact N-O 3.16Å; R371-S377 PolarHBondContact NE-O 2.83Å; R371-S377 PolarHBondContact NH2-O 3.27Å
378	S	98.6	Very high	86.1	Confident	18 Å²	18	57 Å²	57	13%	0.126	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	154.7	177.3	-51.5	0	0	0	0	111.7	F355 R371	F355-S378 CarbonylContact O-C 3.49Å; F355-S378 VanDerWaalsContact O-CA 3.29Å; F355-S378 WeakPolarHBondContact O-CA 3.27Å; R371-S378 WeakPolarHBondContact CD-OG 3.23Å; R371-S378 PolarHBondContact NE-OG 3.3Å
379	S	98.3	Very high	82.9	Confident	5 Å²	5	60.7 Å²	60.7	4%	0.035	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	178.9	170.3	68	0	0	0	0	110.5	W302 H354 F355 I356 G357	W302-S379 PolarHBondContact NE1-OG 2.61Å; H354-S379 WeakPolarHBondContact NE2-CB 3.26Å; H354-S379 PolarHBondContact NE2-OG 2.62Å; F355-S379 PolarHBondContact O-N 3.09Å; I356-S379 WeakPolarHBondContact CA-O 3.42Å; G357-S379 PolarHBondContact N-O 3.05Å
380	F	98.5	Very high	79.9	Confident	16 Å²	16	69.1 Å²	69.1	7%	0.07	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	150.1	179.2	-61.1	-83.4	0	0	0	110.6	Q271 C272 G357 C359 K368 F383	Q271-F380 HydrophobicContact CB-CZ 4.46Å; Q271-F380 HydrophobicContact CG-CE1 3.95Å; Q271-F380 HydrophobicContact CG-CE2 4.47Å; Q271-F380 HydrophobicContact CG-CZ 3.7Å; C272-F380 HydrophobicContact CB-CD2 4.17Å; C272-F380 HydrophobicContact CB-CE2 4.41Å; C272-F380 VanDerWaalsContact SG-CD2 3.54Å; C272-F380 VanDerWaalsContact SG-CG 3.57Å; G357-F380 VanDerWaalsContact O-CA 3.32Å; G357-F380 WeakPolarHBondContact O-CA 3.02Å; C359-F380 HydrophobicContact CB-CB 4.46Å; C359-F380 HydrophobicContact CB-CD1 4.34Å; K368-F380 HydrophobicContact CB-CZ 4.32Å; K368-F380 HydrophobicContact CD-CE2 4.23Å; K368-F380 HydrophobicContact CD-CZ 3.83Å; K368-F380 HydrophobicContact CG-CZ 3.89Å; F380-F383 HydrophobicContact CB-CD2 4.22Å
381	F	98.3	Very high	76.9	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	147.9	167.9	-63.9	-70.8	0	0	0	111	I242 L244 A287 P290 E294 I295 T298 I356 G357 F383	I242-F381 HydrophobicContact CB-CZ 4.23Å; I242-F381 HydrophobicContact CG2-CZ 4.49Å; L244-F381 HydrophobicContact CD2-CE2 3.96Å; L244-F381 HydrophobicContact CD2-CZ 3.91Å; A287-F381 VanDerWaalsContact CA-O 3.29Å; A287-F381 WeakPolarHBondContact CA-O 3.46Å; A287-F381 WeakPolarHBondContact CB-O 3.3Å; P290-F381 HydrophobicContact CB-CB 3.88Å; P290-F381 HydrophobicContact CB-CD1 4.42Å; P290-F381 HydrophobicContact CB-CG 4.09Å; P290-F381 HydrophobicContact CG-CB 3.96Å; P290-F381 HydrophobicContact CG-CD2 4.02Å; P290-F381 HydrophobicContact CG-CG 3.93Å; E294-F381 HydrophobicContact CG-CB 4.49Å; I295-F381 HydrophobicContact CB-CE1 4.41Å; I295-F381 HydrophobicContact CG1-CE1 4.32Å; I295-F381 HydrophobicContact CG2-CE1 4.44Å; T298-F381 HydrophobicContact CG2-CD1 3.98Å; T298-F381 HydrophobicContact CG2-CE1 4.19Å; I356-F381 HydrophobicContact CB-CE2 4.45Å; I356-F381 HydrophobicContact CB-CZ 4.24Å; I356-F381 HydrophobicContact CG2-CD1 3.9Å; I356-F381 HydrophobicContact CG2-CD2 3.96Å; I356-F381 HydrophobicContact CG2-CE1 3.68Å; I356-F381 HydrophobicContact CG2-CE2 3.75Å; I356-F381 HydrophobicContact CG2-CG 4.04Å; I356-F381 HydrophobicContact CG2-CZ 3.61Å; G357-F381 WeakPolarHBondContact O-CD2 3.45Å; G357-F381 PolarHBondContact O-N 3.38Å; G357-F381 VanDerWaalsContact O-N 3.12Å; F381-F383 PolarHBondContact O-N 3.38Å; F381-F383 VanDerWaalsContact O-N 3.07Å
382	G	94.6	Very high	73.6	Confident	17 Å²	17	86.7 Å²	86.7	18%	0.175	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	-12.7	178.5	0	0	0	0	0	115.6	S286 E294	S286-G382 WeakPolarHBondContact OG-CA 3.23Å; E294-G382 PolarHBondContact OE1-N 3.5Å
383	F	90.6	Very high	70.6	Confident	49 Å²	49	89 Å²	89	22%	0.215	48%	0.484	C	S	.	.			trans	-106.2	125.8	173.9	-74.6	-81.5	0	0	0	110.9	C272 V273 L283 P284 A287 C359 F380 F381	C272-F383 HydrophobicContact CB-CD2 3.94Å; C272-F383 HydrophobicContact CB-CE2 3.64Å; C272-F383 HydrophobicContact CB-CG 4.48Å; C272-F383 HydrophobicContact CB-CZ 3.96Å; V273-F383 HydrophobicContact CG1-CE1 4.29Å; V273-F383 HydrophobicContact CG1-CZ 3.69Å; L283-F383 HydrophobicContact CD1-CE2 4.22Å; L283-F383 HydrophobicContact CD1-CZ 4.27Å; P284-F383 HydrophobicContact CG-CE2 4.43Å; P284-F383 HydrophobicContact CG-CZ 4.33Å; A287-F383 HydrophobicContact CB-CD2 3.76Å; A287-F383 HydrophobicContact CB-CE2 3.42Å; A287-F383 VanDerWaalsContact CB-CE2 3.42Å; A287-F383 HydrophobicContact CB-CZ 4.39Å; C359-F383 HydrophobicContact CB-CD2 4.4Å; C359-F383 HydrophobicContact CB-CE2 4Å; F380-F383 HydrophobicContact CB-CD2 4.22Å; F381-F383 PolarHBondContact O-N 3.38Å; F381-F383 VanDerWaalsContact O-N 3.07Å
384	E	73.9	Confident	67.6	Low	122 Å²	122	95 Å²	95	57%	0.57	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-88.5	128.8	167.5	-55.2	-148.9	134.5	0	0	109.1	R297 R301	R297-E384 IonicContact CZ-OE1 2.71Å; R297-E384 IonicContact NH1-OE1 3.33Å; R297-E384 PolarHBondContact NH1-OE1 2.92Å; R297-E384 IonicContact NH2-OE1 3.57Å; R301-E384 IonicContact CZ-OE1 2.62Å; R301-E384 IonicContact NH1-OE1 2.68Å; R301-E384 IonicContact NH2-OE1 3.3Å; R301-E384 PolarHBondContact NH2-OE1 3.38Å
385	M	55.2	Low	64.7	Low	116 Å²	116	99.1 Å²	99.1	57%	0.571	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-63.1	129.9	167.1	-68.1	-66.7	-73	0	0	107.6	W302 T387	W302-M385 HydrophobicContact CZ2-CG 4.27Å; M385-T387 PolarHBondContact O-N 3.1Å
386	P	40.5	Very low	61.7	Low	109 Å²	109	104 Å²	104	71%	0.708	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-54.6	121.4	171.5	19.9	-28.9	0	0	0	107.9	N388	P386-N388 PolarHBondContact O-N 3.15Å; P386-N388 VanDerWaalsContact O-N 3.15Å
387	T	36.6	Very low	58.6	Low	116 Å²	116	112.7 Å²	112.7	71%	0.712	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-64.5	118.1	170.2	51.7	0	0	0	0	105.8	M385 T389	M385-T387 PolarHBondContact O-N 3.1Å; T387-T389 PolarHBondContact O-N 3.36Å; T387-T389 PolarHBondContact O-OG1 2.55Å
388	N	36.7	Very low	56.6	Low	155 Å²	155	115.5 Å²	115.5	83%	0.829	59%	0.588	S	S	*	*			trans	-64.5	74.7	167.5	-91.4	-18.3	0	0	0	108.3	P386 K390	P386-N388 PolarHBondContact O-N 3.15Å; P386-N388 VanDerWaalsContact O-N 3.15Å; N388-K390 PolarHBondContact O-N 3.48Å
389	T	32.3	Very low	54.4	Low	113 Å²	113	120.6 Å²	120.6	69%	0.693	61%	0.612	S	S	*	*			trans	-79.2	84.7	153.4	38.4	0	0	0	0	104.9	T387 K391	T387-T389 PolarHBondContact O-N 3.36Å; T387-T389 PolarHBondContact O-OG1 2.55Å; T389-K391 VanDerWaalsContact C-N 3.29Å; T389-K391 PolarHBondContact O-N 3.11Å
390	K	36.5	Very low	52	Low	187 Å²	187	127 Å²	127	81%	0.813	64%	0.644	S	S	*	*			trans	-53.9	105.5	156.7	-75.9	-177.1	175.8	-177.4	0	105.3	N388 E392	N388-K390 PolarHBondContact O-N 3.48Å; K390-E392 VanDerWaalsContact C-N 3.31Å; K390-E392 PolarHBondContact O-N 3.05Å
391	K	35.3	Very low	49.3	Very low	201 Å²	201	133.5 Å²	133.5	87%	0.874	68%	0.678	S	S	*	*			trans	-63.4	103.8	159.3	-78.7	-177.4	176.3	179.4	0	104.8	T389	T389-K391 VanDerWaalsContact C-N 3.29Å; T389-K391 PolarHBondContact O-N 3.11Å
392	E	30.6	Very low	46.2	Very low	173 Å²	173	141.9 Å²	141.9	81%	0.808	72%	0.72	S	S	*	*			trans	-55.1	132.7	162.4	-76	-178.5	159.6	0	0	107.5	K390 K394	K390-E392 VanDerWaalsContact C-N 3.31Å; K390-E392 PolarHBondContact O-N 3.05Å; E392-K394 PolarHBondContact O-N 2.77Å
393	P	35.1	Very low	43	Very low	120 Å²	120	150.2 Å²	150.2	78%	0.779	76%	0.757	S	S	*	*			trans	-62.8	124.5	172.6	-10.5	24.3	0	0	0	107.4	Q395	P393-Q395 PolarHBondContact O-N 3.22Å
394	K	35	Very low	39.6	Very low	180 Å²	180	157.4 Å²	157.4	78%	0.783	80%	0.796	S	S	*	*			trans	-58.9	111.2	162.1	-78.1	-175	172	-172.4	0	107	E392 E396	E392-K394 PolarHBondContact O-N 2.77Å; K394-E396 PolarHBondContact O-N 3.02Å
395	Q	38.1	Very low	36.9	Very low	193 Å²	193	160.2 Å²	160.2	90%	0.902	81%	0.813	S	S	*	*			trans	-69.8	109	156.8	-79.5	-179.2	-33.5	0	0	106.3	P393	P393-Q395 PolarHBondContact O-N 3.22Å
396	E	35.5	Very low	35.4	Very low	175 Å²	175	163.8 Å²	163.8	82%	0.818	83%	0.833	S	S	*	*			trans	-93.1	131.4	163.5	-76.7	-179.1	173.3	0	0	108.2	K394	K394-E396 PolarHBondContact O-N 3.02Å
397	L	32.9	Very low	35	Very low	244 Å²	244	168.8 Å²	168.8	100%	1.277	84%	0.844	S	S	*	*			trans	-102.1	0	175.3	-140.8	150.6	0	0	0	107.3

Retrieved 397 of 397 residues in 182.2 ms (Link to these results)

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