A0A087XFS7_POEFO Loading...

Serine/threonine-protein phosphatase 2A activator

PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides. Acts as a regulatory subunit for serine/threonine-protein phosphatase 2A (PP2A). Modulates PP2A activity or substrate specificity, probably by inducing a conformational change in the catalytic subunit, a proposed direct target of the PPIase. Can reactivate inactive phosphatase PP2A-phosphatase methylesterase complexes (PP2A(i)) in presence of ATP and Mg(2+). Reversibly stimulates the variable phosphotyrosyl phosphatase activity of PP2A core heterodimer PP2A(D) in presence of ATP and Mg(2+) (in vitro). The phosphotyrosyl phosphatase activity is dependent of an ATPase activity of the PP2A(D):PPP2R4 complex. Is involved in apoptosis; the function appears to be independent from PP2A.

AlphaFold DB , UniProt , Accession A0A087XFS7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 325 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	38.1	Very low	198 Å²	198	105.3 Å²	105.3	98%	0.975	53%	0.533	S	S	*	.				0	-41.4	0	-131.8	162.3	-179.1	0	0	110.1	M4	M1-M4 PolarHBondContact O-N 3.09Å
2	D	31.1	Very low	37.7	Very low	133 Å²	133	103.7 Å²	103.7	71%	0.711	55%	0.548	S	S	*	.	H	α-helix	trans	-64.2	-40.1	175.4	-62.8	-23.2	0	0	0	115	M4 M5	D2-M4 VanDerWaalsContact C-N 3.26Å; D2-M4 PolarHBondContact O-N 3.01Å; D2-M5 PolarHBondContact O-N 3.4Å
3	Q	28.6	Very low	37.2	Very low	174 Å²	174	104.8 Å²	104.8	81%	0.813	57%	0.569	S	S	*	*	H	α-helix	trans	-70.4	-19.8	178.3	-113.5	175.9	-3.3	0	0	114.2
4	M	34.7	Very low	36.8	Very low	134 Å²	134	100.9 Å²	100.9	66%	0.66	55%	0.554	S	S	*	*	H	α-helix	trans	-85.3	-24.4	179.3	-123.6	-179.6	-176.2	0	0	111.3	M1 D2 T7 W8	M1-M4 PolarHBondContact O-N 3.09Å; D2-M4 VanDerWaalsContact C-N 3.26Å; D2-M4 PolarHBondContact O-N 3.01Å; M4-T7 PolarHBondContact O-OG1 3.01Å; M4-W8 PolarHBondContact O-NE1 3.49Å; M4-W8 VanDerWaalsContact O-NE1 3.13Å
5	M	38.8	Very low	36.6	Very low	75 Å²	75	102.9 Å²	102.9	37%	0.369	57%	0.574	S	S	.	*	H	α-helix	trans	-83.8	-29.8	-177.3	-73.4	-170.7	172.9	0	0	113.3	D2 L56	D2-M5 PolarHBondContact O-N 3.4Å; M5-L56 HydrophobicContact CE-CB 4.48Å
6	S	38.7	Very low	36.5	Very low	65 Å²	65	107.9 Å²	107.9	46%	0.455	59%	0.591	S	S	.	*	H	α-helix	trans	-70	-31.2	178.6	58.7	0	0	0	0	113.2
7	T	40.3	Very low	36.5	Very low	76 Å²	76	107.8 Å²	107.8	47%	0.466	59%	0.59	S	S	.	*	H	α-helix	trans	-77.6	-20.3	-173	47.7	0	0	0	0	114.7	M4	M4-T7 PolarHBondContact O-OG1 3.01Å
8	W	45.6	Very low	36.4	Very low	134 Å²	134	111.3 Å²	111.3	51%	0.508	60%	0.602	S	S	.	*	H	α-helix	trans	-87.4	-23.2	-174.4	-66.3	107.2	0	0	0	114.7	M4	M4-W8 PolarHBondContact O-NE1 3.49Å; M4-W8 VanDerWaalsContact O-NE1 3.13Å
9	F	42.5	Very low	36.4	Very low	29 Å²	29	109.9 Å²	109.9	13%	0.127	61%	0.607	C	S	.	*	H	α-helix	trans	-102.8	-30.5	180	-88.2	-83.2	0	0	0	113.8	D50 F54	F9-D50 VanDerWaalsContact CZ-O 3.28Å; F9-D50 WeakPolarHBondContact CZ-O 3.49Å; F9-F54 HydrophobicContact CE1-CB 3.87Å; F9-F54 HydrophobicContact CE1-CD2 4.12Å; F9-F54 HydrophobicContact CE1-CG 4.49Å; F9-F54 HydrophobicContact CE2-CB 4.3Å; F9-F54 HydrophobicContact CZ-CB 3.46Å; F9-F54 VanDerWaalsContact CZ-CB 3.46Å; F9-F54 HydrophobicContact CZ-CG 4.5Å
10	F	49.3	Very low	36.6	Very low	61 Å²	61	109.5 Å²	109.5	27%	0.268	61%	0.609	S	S	.	*	S	Bend	trans	-144.6	100.8	-177.6	-58.4	-77.6	0	0	0	106.8	A12 I177	F10-A12 PolarHBondContact O-N 3.2Å; F10-A12 VanDerWaalsContact O-N 3.13Å; F10-I177 HydrophobicContact CD2-CB 3.84Å; F10-I177 HydrophobicContact CD2-CD1 4.07Å; F10-I177 HydrophobicContact CD2-CG1 4.31Å; F10-I177 HydrophobicContact CE2-CB 3.61Å; F10-I177 HydrophobicContact CE2-CD1 4.39Å; F10-I177 HydrophobicContact CE2-CG1 4.17Å; F10-I177 HydrophobicContact CZ-CB 4.14Å; F10-I177 VanDerWaalsContact CZ-N 3.34Å
11	P	34.6	Very low	36.7	Very low	79 Å²	79	110.4 Å²	110.4	51%	0.513	61%	0.613	S	S	.	*			trans	-54.7	127.5	170.6	-11.7	23.4	0	0	0	107.1	S13 D17	P11-S13 PolarHBondContact O-N 3.11Å; P11-S13 VanDerWaalsContact O-N 3.08Å; P11-D17 HydrophobicContact CB-CB 4.28Å; P11-D17 WeakPolarHBondContact CB-OD2 3.46Å
12	A	32.9	Very low	36.8	Very low	86 Å²	86	106.6 Å²	106.6	71%	0.711	61%	0.613	S	S	*	*			trans	-56.7	118.3	160.8	0	0	0	0	0	105	F10 S14	F10-A12 PolarHBondContact O-N 3.2Å; F10-A12 VanDerWaalsContact O-N 3.13Å; A12-S14 VanDerWaalsContact C-N 3.3Å; A12-S14 PolarHBondContact O-N 3.13Å
13	S	31.6	Very low	37.4	Very low	118 Å²	118	103.1 Å²	103.1	83%	0.825	61%	0.609	S	S	*	*			trans	-55.4	91.8	-174.1	54.5	0	0	0	0	110.6	P11	P11-S13 PolarHBondContact O-N 3.11Å; P11-S13 VanDerWaalsContact O-N 3.08Å
14	S	31.2	Very low	38.7	Very low	51 Å²	51	99.5 Å²	99.5	36%	0.357	60%	0.599	S	S	.	*			trans	-76	145.9	155.3	57.9	0	0	0	0	106.2	A12 E16 D17	A12-S14 VanDerWaalsContact C-N 3.3Å; A12-S14 PolarHBondContact O-N 3.13Å; S14-E16 PolarHBondContact O-N 2.63Å; S14-D17 PolarHBondContact O-N 3.07Å; S14-D17 PolarHBondContact OG-OD2 3.43Å
15	P	34.1	Very low	41.1	Very low	131 Å²	131	96.8 Å²	96.8	85%	0.851	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	2.3	179.3	-18.7	31.1	0	0	0	114.5
16	E	33.9	Very low	43.8	Very low	182 Å²	182	97 Å²	97	85%	0.85	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	-7.6	-178	-66.6	-179.3	164.5	0	0	113.3	S14 E18	S14-E16 PolarHBondContact O-N 2.63Å; E16-E18 VanDerWaalsContact C-N 3.35Å; E16-E18 PolarHBondContact O-N 3.38Å
17	D	37.9	Very low	46.5	Very low	106 Å²	106	98.3 Å²	98.3	57%	0.567	60%	0.596	S	S	*	*			trans	-95	59	172.3	-82.1	-37.9	0	0	0	110.8	P11 S14 A19	P11-D17 HydrophobicContact CB-CB 4.28Å; P11-D17 WeakPolarHBondContact CB-OD2 3.46Å; S14-D17 PolarHBondContact O-N 3.07Å; S14-D17 PolarHBondContact OG-OD2 3.43Å; D17-A19 PolarHBondContact O-N 3.14Å
18	E	33.7	Very low	49.2	Very low	172 Å²	172	99.6 Å²	99.6	80%	0.804	60%	0.599	S	S	*	*			trans	-73.7	109.5	169.7	-81.8	-166.9	153.1	0	0	110.6	E16	E16-E18 VanDerWaalsContact C-N 3.35Å; E16-E18 PolarHBondContact O-N 3.38Å
19	A	37.1	Very low	51.7	Low	84 Å²	84	93.7 Å²	93.7	69%	0.694	58%	0.578	S	S	*	*	S	Bend	trans	55.2	156.2	159.3	0	0	0	0	0	117	D17 D21	D17-A19 PolarHBondContact O-N 3.14Å; A19-D21 PolarHBondContact O-N 3.16Å; A19-D21 VanDerWaalsContact O-N 3.08Å
20	P	39.4	Very low	54.3	Low	102 Å²	102	98.2 Å²	98.2	66%	0.662	60%	0.597	S	S	*	*	S	Bend	trans	-56.6	122.9	154.9	24.7	-29.6	0	0	0	106.9	A22	P20-A22 PolarHBondContact O-N 3.43Å
21	D	38.3	Very low	56.5	Low	129 Å²	129	98.9 Å²	98.9	69%	0.69	60%	0.6	S	S	*	*			trans	-30.9	125.7	171.5	-173.6	16.2	0	0	0	110	A19 G23 T24	A19-D21 PolarHBondContact O-N 3.16Å; A19-D21 VanDerWaalsContact O-N 3.08Å; D21-G23 PolarHBondContact O-N 3.09Å; D21-T24 PolarHBondContact O-N 3.44Å
22	A	38	Very low	59.5	Low	117 Å²	117	97.8 Å²	97.8	97%	0.967	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	25.6	-176	0	0	0	0	0	113.6	P20	P20-A22 PolarHBondContact O-N 3.43Å
23	G	43.7	Very low	62.5	Low	61 Å²	61	93.7 Å²	93.7	63%	0.629	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137	-2.4	-174.6	0	0	0	0	0	116.3	D21 A25	D21-G23 PolarHBondContact O-N 3.09Å; G23-A25 PolarHBondContact O-N 3.43Å
24	T	56.4	Low	65.6	Low	98 Å²	98	92 Å²	92	60%	0.601	54%	0.542	S	S	*	.			trans	-91.8	96.7	175.6	-44.4	0	0	0	0	110.7	D21	D21-T24 PolarHBondContact O-N 3.44Å
25	A	86.1	Confident	68.6	Low	77 Å²	77	94.8 Å²	94.8	64%	0.636	55%	0.551	S	S	*	*			trans	-61.3	138.3	174	0	0	0	0	0	111.1	G23	G23-A25 PolarHBondContact O-N 3.43Å
26	Y	94.8	Very high	71.5	Confident	79 Å²	79	93.3 Å²	93.3	31%	0.31	54%	0.539	S	S	.	.			trans	-61.8	144	170.9	-62.8	-73	0	0	0	110.6	A133 A134 E137 V172 L317	Y26-A133 VanDerWaalsContact CD2-C 3.43Å; Y26-A133 HydrophobicContact CD2-CB 4.01Å; Y26-A133 WeakPolarHBondContact CD2-O 3.16Å; Y26-A133 HydrophobicContact CE2-CB 3.91Å; Y26-A134 HydrophobicContact CD1-CB 4.05Å; Y26-A134 HydrophobicContact CD2-CB 4.3Å; Y26-A134 HydrophobicContact CE1-CB 3.57Å; Y26-A134 HydrophobicContact CE2-CB 3.86Å; Y26-A134 HydrophobicContact CG-CB 4.4Å; Y26-A134 VanDerWaalsContact CZ-CB 3.47Å; Y26-E137 WeakPolarHBondContact CA-OE2 3.39Å; Y26-V172 HydrophobicContact CE1-CG1 4.27Å; Y26-L317 HydrophobicContact CD1-CD1 4.48Å; Y26-L317 HydrophobicContact CD1-CG 4.34Å; Y26-L317 HydrophobicContact CE1-CD1 4.35Å; Y26-L317 HydrophobicContact CE1-CD2 4.08Å; Y26-L317 HydrophobicContact CE1-CG 4.26Å
27	I	95.6	Very high	74.4	Confident	93 Å²	93	89 Å²	89	48%	0.477	53%	0.527	S	S	.	.			trans	-125.3	132	-174.1	-61.3	169.5	0	0	0	108.4	P29 E137	I27-P29 WeakPolarHBondContact O-CD 3.34Å; I27-P29 VanDerWaalsContact O-N 3.15Å; I27-E137 PolarHBondContact N-OE2 3.46Å; I27-E137 WeakPolarHBondContact O-CG 3.33Å; I27-E137 VanDerWaalsContact O-OE2 3.06Å
28	I	95.7	Very high	77.2	Confident	103 Å²	103	84.7 Å²	84.7	53%	0.528	50%	0.504	S	S	.	.			trans	-59.6	117.3	173.6	-57.4	-56.9	0	0	0	109.6	K30 P136 V140	I28-K30 PolarHBondContact O-N 2.69Å; I28-P136 HydrophobicContact CD1-CB 3.76Å; I28-V140 HydrophobicContact CG2-CG2 4.3Å
29	P	98.1	Very high	80.2	Confident	10 Å²	10	77.1 Å²	77.1	7%	0.065	47%	0.469	C	S	.	.			trans	-60.8	136.2	-174.8	-28.5	36.5	0	0	0	113.3	I27 E137 V140 Y141 K313 F314	I27-P29 WeakPolarHBondContact O-CD 3.34Å; I27-P29 VanDerWaalsContact O-N 3.15Å; P29-E137 HydrophobicContact CG-CG 3.73Å; P29-V140 HydrophobicContact CB-CB 4.34Å; P29-V140 HydrophobicContact CB-CG1 3.99Å; P29-V140 HydrophobicContact CG-CB 4.04Å; P29-V140 HydrophobicContact CG-CG1 4.24Å; P29-V140 HydrophobicContact CG-CG2 4.49Å; P29-Y141 HydrophobicContact CB-CE2 4.47Å; P29-Y141 HydrophobicContact CG-CE2 3.7Å; P29-K313 HydrophobicContact CB-CB 3.47Å; P29-K313 VanDerWaalsContact CB-CB 3.47Å; P29-F314 CarbonylContact C-O 3.52Å; P29-F314 VanDerWaalsContact CA-O 3.22Å; P29-F314 WeakPolarHBondContact CA-O 3.38Å
30	K	96.9	Very high	83	Confident	124 Å²	124	74.2 Å²	74.2	54%	0.539	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	163.7	-178.6	70.8	-170.1	-171.1	-173.9	0	112.3	I28 E32 K313 F314	I28-K30 PolarHBondContact O-N 2.69Å; K30-E32 WeakPolarHBondContact CE-OE1 3.23Å; K30-E32 IonicContact NZ-OE1 2.67Å; K30-K313 CarbonylContact O-C 3.48Å; K30-K313 WeakPolarHBondContact O-CA 3.35Å; K30-F314 PolarHBondContact N-O 3.47Å; K30-F314 PolarHBondContact O-N 3.25Å
31	K	96.7	Very high	85.7	Confident	74 Å²	74	74.6 Å²	74.6	32%	0.322	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	130.8	178.4	-179.8	171.5	173.2	162.7	0	109.8	I33 Q310	K31-I33 WeakPolarHBondContact CE-O 3.35Å; K31-Q310 WeakPolarHBondContact CD-O 3.41Å; K31-Q310 WeakPolarHBondContact CE-O 3.33Å; K31-Q310 PolarHBondContact NZ-O 3.36Å
32	E	97.4	Very high	88.5	Confident	57 Å²	57	68.4 Å²	68.4	27%	0.266	41%	0.405	S	S	.	.			trans	-123.4	-7.9	177.8	-65	-73.2	-179.1	0	0	113.4	K30 F314 I320	K30-E32 WeakPolarHBondContact CE-OE1 3.23Å; K30-E32 IonicContact NZ-OE1 2.67Å; E32-F314 HydrophobicContact CB-CD2 3.55Å; E32-F314 HydrophobicContact CB-CE2 3.97Å; E32-F314 HydrophobicContact CB-CG 4.19Å; E32-F314 HydrophobicContact CG-CB 3.89Å; E32-F314 HydrophobicContact CG-CD2 3.71Å; E32-F314 HydrophobicContact CG-CG 3.99Å; E32-I320 HydrophobicContact CB-CB 4.32Å; E32-I320 HydrophobicContact CB-CD1 4.1Å; E32-I320 HydrophobicContact CB-CG1 3.86Å; E32-I320 HydrophobicContact CG-CB 4.08Å; E32-I320 HydrophobicContact CG-CG1 4.15Å; E32-I320 HydrophobicContact CG-CG2 4.03Å
33	I	96.6	Very high	91.3	Very high	0 Å²	0	67 Å²	67	0%	0	38%	0.377	C	S	.	.			trans	-106.8	91	179	-56.3	171.7	0	0	0	108.5	K31 D38 M39 W42 F306 I309 Q310 F314	K31-I33 WeakPolarHBondContact CE-O 3.35Å; I33-D38 HydrophobicContact CG2-CB 4.31Å; I33-M39 HydrophobicContact CG2-SD 3.8Å; I33-W42 HydrophobicContact CD1-CB 3.66Å; I33-W42 HydrophobicContact CD1-CD2 4.15Å; I33-W42 HydrophobicContact CD1-CG 3.75Å; I33-W42 HydrophobicContact CG1-CB 4.16Å; I33-F306 HydrophobicContact CG2-CD2 3.76Å; I33-F306 HydrophobicContact CG2-CE2 3.79Å; I33-I309 HydrophobicContact CD1-CG1 4.44Å; I33-I309 HydrophobicContact CD1-CG2 4.03Å; I33-Q310 HydrophobicContact CG2-CB 4.37Å; I33-F314 HydrophobicContact CD1-CE2 4.03Å; I33-F314 HydrophobicContact CD1-CZ 3.87Å; I33-F314 HydrophobicContact CG1-CE2 3.99Å; I33-F314 HydrophobicContact CG1-CZ 4.17Å
34	S	95.2	Very high	93.9	Very high	82 Å²	82	71.8 Å²	71.8	57%	0.573	38%	0.376	S	S	*	.			trans	-105.5	-22.2	-175.9	-62.4	0	0	0	0	113.2	D38 F306	S34-D38 PolarHBondContact N-OD2 3.37Å; S34-F306 WeakPolarHBondContact O-CZ 3.47Å
35	M	95.9	Very high	95.8	Very high	110 Å²	110	67.1 Å²	67.1	54%	0.542	35%	0.348	S	S	.	.	S	Bend	trans	-141.8	162	177.6	55	-170.9	-68.2	0	0	111.8	P37 D38 F306	M35-P37 VanDerWaalsContact C-N 3.29Å; M35-P37 HydrophobicContact CE-CB 4.35Å; M35-P37 HydrophobicContact CE-CG 3.75Å; M35-D38 VanDerWaalsContact CG-OD2 3.32Å; M35-D38 WeakPolarHBondContact CG-OD2 3.42Å; M35-D38 PolarHBondContact N-OD2 3.36Å; M35-D38 VanDerWaalsContact N-OD2 3.08Å; M35-D38 WeakPolarHBondContact O-CB 3.43Å; M35-D38 PolarHBondContact O-N 3.06Å; M35-F306 VanDerWaalsContact C-CE2 3.42Å
36	V	93.6	Very high	96.4	Very high	99 Å²	99	65.3 Å²	65.3	60%	0.6	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-52.3	-39.7	-178.1	177.2	0	0	0	0	113.2	D38 M39 F306	V36-D38 PolarHBondContact O-N 3.31Å; V36-M39 WeakPolarHBondContact O-CB 3.37Å; V36-M39 WeakPolarHBondContact O-CG 3.31Å; V36-M39 PolarHBondContact O-N 3.31Å; V36-M39 VanDerWaalsContact O-N 3.09Å; V36-F306 HydrophobicContact CG2-CB 4.39Å; V36-F306 HydrophobicContact CG2-CD1 4.32Å; V36-F306 HydrophobicContact CG2-CG 4.15Å
37	P	95.2	Very high	96.6	Very high	91 Å²	91	61.5 Å²	61.5	59%	0.591	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-60.5	-25.8	174.9	-31.2	41.2	0	0	0	115.6	M35 M39 G40	M35-P37 VanDerWaalsContact C-N 3.29Å; M35-P37 HydrophobicContact CE-CB 4.35Å; M35-P37 HydrophobicContact CE-CG 3.75Å; P37-M39 PolarHBondContact O-N 3.32Å; P37-G40 PolarHBondContact O-N 3.2Å
38	D	96.3	Very high	96.7	Very high	17 Å²	17	58.6 Å²	58.6	9%	0.091	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-68.5	-17.7	176.5	-64.4	-41.9	0	0	0	112.5	I33 S34 M35 V36 G40 K41 W42	I33-D38 HydrophobicContact CG2-CB 4.31Å; S34-D38 PolarHBondContact N-OD2 3.37Å; M35-D38 VanDerWaalsContact CG-OD2 3.32Å; M35-D38 WeakPolarHBondContact CG-OD2 3.42Å; M35-D38 PolarHBondContact N-OD2 3.36Å; M35-D38 VanDerWaalsContact N-OD2 3.08Å; M35-D38 WeakPolarHBondContact O-CB 3.43Å; M35-D38 PolarHBondContact O-N 3.06Å; V36-D38 PolarHBondContact O-N 3.31Å; D38-G40 PolarHBondContact O-N 3.24Å; D38-G40 VanDerWaalsContact O-N 3.14Å; D38-K41 WeakPolarHBondContact O-CA 3.33Å; D38-K41 WeakPolarHBondContact O-CB 3.4Å; D38-K41 PolarHBondContact O-N 3.44Å; D38-K41 IonicContact OD1-NZ 3.65Å; D38-K41 PolarHBondContact OD1-NZ 3.3Å; D38-W42 PolarHBondContact O-N 3.46Å; D38-W42 VanDerWaalsContact O-N 3.11Å
39	M	97	Very high	96.8	Very high	13 Å²	13	55.7 Å²	55.7	6%	0.064	29%	0.286	C	S	.	.	H	α-helix	trans	-57.3	-30.2	174.5	-64.4	-64.3	-64.2	0	0	111.9	I33 V36 P37 K41 W42 K43 E304 F306 I309	I33-M39 HydrophobicContact CG2-SD 3.8Å; V36-M39 WeakPolarHBondContact O-CB 3.37Å; V36-M39 WeakPolarHBondContact O-CG 3.31Å; V36-M39 PolarHBondContact O-N 3.31Å; V36-M39 VanDerWaalsContact O-N 3.09Å; P37-M39 PolarHBondContact O-N 3.32Å; M39-K41 VanDerWaalsContact C-N 3.35Å; M39-W42 PolarHBondContact O-N 3.4Å; M39-K43 WeakPolarHBondContact O-CG 3.35Å; M39-K43 PolarHBondContact O-N 2.9Å; M39-E304 VanDerWaalsContact CE-O 3.31Å; M39-E304 WeakPolarHBondContact CE-O 3.06Å; M39-F306 HydrophobicContact CG-CB 4.15Å; M39-F306 HydrophobicContact CG-CD2 4.2Å; M39-F306 HydrophobicContact SD-CB 3.91Å; M39-F306 HydrophobicContact SD-CD2 4Å; M39-F306 HydrophobicContact SD-CG 4.47Å; M39-I309 HydrophobicContact CE-CG2 3.57Å; M39-I309 HydrophobicContact SD-CG2 3.62Å
40	G	95.9	Very high	96.8	Very high	22 Å²	22	55.7 Å²	55.7	23%	0.227	29%	0.285	C	S	.	.	H	α-helix	trans	-65.7	-36.2	173.8	0	0	0	0	0	113.1	P37 D38 R44	P37-G40 PolarHBondContact O-N 3.2Å; D38-G40 PolarHBondContact O-N 3.24Å; D38-G40 VanDerWaalsContact O-N 3.14Å; G40-R44 PolarHBondContact O-N 3.42Å; G40-R44 PolarHBondContact O-NH1 3.46Å
41	K	95.9	Very high	96.9	Very high	110 Å²	110	49.8 Å²	49.8	48%	0.478	26%	0.26	S	S	.	.	H	α-helix	trans	-67.6	-46.8	175.4	-60.6	173.1	-176.7	158.8	0	110.1	D38 M39 K43 R44 S45 I320	D38-K41 WeakPolarHBondContact O-CA 3.33Å; D38-K41 WeakPolarHBondContact O-CB 3.4Å; D38-K41 PolarHBondContact O-N 3.44Å; D38-K41 IonicContact OD1-NZ 3.65Å; D38-K41 PolarHBondContact OD1-NZ 3.3Å; M39-K41 VanDerWaalsContact C-N 3.35Å; K41-K43 PolarHBondContact O-N 2.67Å; K41-R44 PolarHBondContact O-N 3.22Å; K41-S45 WeakPolarHBondContact O-CB 3.36Å; K41-S45 PolarHBondContact O-N 2.81Å; K41-I320 HydrophobicContact CB-CD1 4.4Å
42	W	97.5	Very high	97	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-53.7	-54.3	175.7	165.4	-124.6	0	0	0	112.5	I33 D38 M39 R44 S45 A47 Y48 L303 I309 F312 F314	I33-W42 HydrophobicContact CD1-CB 3.66Å; I33-W42 HydrophobicContact CD1-CD2 4.15Å; I33-W42 HydrophobicContact CD1-CG 3.75Å; I33-W42 HydrophobicContact CG1-CB 4.16Å; D38-W42 PolarHBondContact O-N 3.46Å; D38-W42 VanDerWaalsContact O-N 3.11Å; M39-W42 PolarHBondContact O-N 3.4Å; W42-R44 PolarHBondContact O-N 3.19Å; W42-R44 VanDerWaalsContact O-N 3.1Å; W42-S45 WeakPolarHBondContact O-CB 3.34Å; W42-S45 PolarHBondContact O-N 3.41Å; W42-S45 PolarHBondContact O-OG 3.2Å; W42-A47 HydrophobicContact CZ3-CB 3.82Å; W42-Y48 HydrophobicContact CD2-CD2 4.13Å; W42-Y48 AromaticContact CE2-CD2 3.54Å; W42-Y48 HydrophobicContact CH2-CD2 4.26Å; W42-Y48 AromaticContact CZ2-CD2 3.63Å; W42-Y48 HydrophobicContact CZ2-CD2 3.63Å; W42-Y48 HydrophobicContact CZ2-CE2 4.5Å; W42-Y48 HydrophobicContact CZ2-CG 4.46Å; W42-Y48 AromaticContact NE1-CD2 3.69Å; W42-Y48 WeakPolarHBondContact O-CB 3.48Å; W42-L303 HydrophobicContact CZ2-CD2 4.48Å; W42-L303 PolarHBondContact NE1-O 3.24Å; W42-I309 HydrophobicContact CZ2-CD1 3.95Å; W42-I309 HydrophobicContact CZ2-CG1 3.85Å; W42-F312 HydrophobicContact CH2-CD1 4.15Å; W42-F312 HydrophobicContact CH2-CD2 4.37Å; W42-F312 AromaticContact CH2-CE1 4Å; W42-F312 HydrophobicContact CH2-CE1 4Å; W42-F312 HydrophobicContact CH2-CE2 4.21Å; W42-F312 HydrophobicContact CH2-CG 4.33Å; W42-F312 HydrophobicContact CH2-CZ 4.02Å; W42-F312 HydrophobicContact CZ3-CD1 4.01Å; W42-F312 AromaticContact CZ3-CE1 3.94Å; W42-F312 HydrophobicContact CZ3-CE1 3.94Å; W42-F312 HydrophobicContact CZ3-CZ 4.4Å; W42-F314 HydrophobicContact CD2-CZ 4.3Å; W42-F314 AromaticContact CE3-CE1 3.42Å; W42-F314 HydrophobicContact CE3-CE1 3.42Å; W42-F314 VanDerWaalsContact CE3-CE1 3.42Å; W42-F314 AromaticContact CE3-CZ 3.46Å; W42-F314 HydrophobicContact CE3-CZ 3.46Å; W42-F314 VanDerWaalsContact CE3-CZ 3.46Å; W42-F314 AromaticContact CZ3-CE1 3.52Å; W42-F314 HydrophobicContact CZ3-CE1 3.52Å; W42-F314 AromaticContact CZ3-CZ 3.78Å; W42-F314 HydrophobicContact CZ3-CZ 3.78Å
43	K	97.1	Very high	97	Very high	88 Å²	88	45 Å²	45	38%	0.383	25%	0.245	S	C	.	.	H	α-helix	trans	-60.4	-24.8	-178.2	-68.3	-176.4	-160.8	-160.4	0	114.1	M39 K41 E304	M39-K43 WeakPolarHBondContact O-CG 3.35Å; M39-K43 PolarHBondContact O-N 2.9Å; K41-K43 PolarHBondContact O-N 2.67Å; K43-E304 HydrophobicContact CD-CG 4.27Å; K43-E304 VanDerWaalsContact NZ-CD 3.3Å; K43-E304 IonicContact NZ-OE2 2.75Å; K43-E304 PolarHBondContact NZ-OE2 3.19Å
44	R	97.4	Very high	97.1	Very high	160 Å²	160	45.3 Å²	45.3	60%	0.604	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98	-1.7	178.3	-66.6	-170.3	-61.4	-87.2	0	113.4	G40 K41 W42 P322 A323	G40-R44 PolarHBondContact O-N 3.42Å; G40-R44 PolarHBondContact O-NH1 3.46Å; K41-R44 PolarHBondContact O-N 3.22Å; W42-R44 PolarHBondContact O-N 3.19Å; W42-R44 VanDerWaalsContact O-N 3.1Å; R44-P322 CarbonylContact O-C 3.58Å; R44-P322 WeakPolarHBondContact O-CA 3.28Å; R44-A323 PolarHBondContact O-N 2.94Å
45	S	98.1	Very high	97.3	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.007	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-77.7	154.4	-173.2	68.5	0	0	0	0	112.8	K41 W42 A47 Y48 A49 I320 Q321	K41-S45 WeakPolarHBondContact O-CB 3.36Å; K41-S45 PolarHBondContact O-N 2.81Å; W42-S45 WeakPolarHBondContact O-CB 3.34Å; W42-S45 PolarHBondContact O-N 3.41Å; W42-S45 PolarHBondContact O-OG 3.2Å; S45-A47 PolarHBondContact O-N 3.49Å; S45-Y48 PolarHBondContact O-N 3.17Å; S45-Y48 PolarHBondContact OG-N 3.45Å; S45-Y48 VanDerWaalsContact OG-N 3.13Å; S45-A49 PolarHBondContact O-N 3.11Å; S45-I320 WeakPolarHBondContact CB-O 3.29Å; S45-Q321 CarbonylContact C-O 3.6Å; S45-Q321 VanDerWaalsContact CA-O 3.27Å; S45-Q321 WeakPolarHBondContact CA-O 3.34Å
46	Q	98	Very high	97.4	Very high	38 Å²	38	38.2 Å²	38.2	18%	0.178	20%	0.203	C	C	.	.	H	α-helix	trans	-59.7	-38.1	170.3	-169.8	64.8	55.2	0	0	110.8	Y48 A49 D50 S319 Q321 A323	Q46-Y48 VanDerWaalsContact C-N 3.34Å; Q46-Y48 PolarHBondContact O-N 3.37Å; Q46-A49 PolarHBondContact O-N 2.91Å; Q46-D50 PolarHBondContact NE2-OD1 3.23Å; Q46-D50 WeakPolarHBondContact O-CB 3.32Å; Q46-D50 PolarHBondContact O-N 3.44Å; Q46-S319 PolarHBondContact N-O 3.05Å; Q46-Q321 PolarHBondContact N-O 2.93Å; Q46-A323 VanDerWaalsContact OE1-CA 3.32Å
47	A	98.2	Very high	97.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-55.7	-45	174.7	0	0	0	0	0	112.7	W42 S45 Y51 F314 L318 S319	W42-A47 HydrophobicContact CZ3-CB 3.82Å; S45-A47 PolarHBondContact O-N 3.49Å; A47-Y51 WeakPolarHBondContact O-CB 3.47Å; A47-Y51 PolarHBondContact O-N 3.4Å; A47-F314 HydrophobicContact CB-CD1 3.85Å; A47-F314 HydrophobicContact CB-CE1 3.77Å; A47-L318 HydrophobicContact CB-CB 3.88Å; A47-S319 VanDerWaalsContact CB-O 3.25Å; A47-S319 WeakPolarHBondContact CB-O 3.46Å; A47-S319 PolarHBondContact N-O 2.86Å
48	Y	98.4	Very high	97.8	Very high	31 Å²	31	30.7 Å²	30.7	12%	0.122	16%	0.156	C	C	.	.	H	α-helix	trans	-66.5	-43.5	177.7	179.7	-86.3	0	0	0	111.8	W42 S45 Q46 Y51 M52 L303	W42-Y48 HydrophobicContact CD2-CD2 4.13Å; W42-Y48 AromaticContact CE2-CD2 3.54Å; W42-Y48 HydrophobicContact CH2-CD2 4.26Å; W42-Y48 AromaticContact CZ2-CD2 3.63Å; W42-Y48 HydrophobicContact CZ2-CD2 3.63Å; W42-Y48 HydrophobicContact CZ2-CE2 4.5Å; W42-Y48 HydrophobicContact CZ2-CG 4.46Å; W42-Y48 AromaticContact NE1-CD2 3.69Å; W42-Y48 WeakPolarHBondContact O-CB 3.48Å; S45-Y48 PolarHBondContact O-N 3.17Å; S45-Y48 PolarHBondContact OG-N 3.45Å; S45-Y48 VanDerWaalsContact OG-N 3.13Å; Q46-Y48 VanDerWaalsContact C-N 3.34Å; Q46-Y48 PolarHBondContact O-N 3.37Å; Y48-Y51 PolarHBondContact O-N 3.22Å; Y48-M52 HydrophobicContact CD1-CG 4.24Å; Y48-M52 HydrophobicContact CE1-CG 3.78Å; Y48-M52 HydrophobicContact CE2-CG 4.17Å; Y48-M52 WeakPolarHBondContact O-CB 3.36Å; Y48-M52 PolarHBondContact O-N 2.79Å; Y48-L303 HydrophobicContact CE2-CB 4.06Å; Y48-L303 HydrophobicContact CE2-CD1 4.01Å
49	A	98.1	Very high	97.9	Very high	43 Å²	43	30.3 Å²	30.3	36%	0.355	15%	0.154	S	C	.	.	H	α-helix	trans	-61.1	-50	178.6	0	0	0	0	0	111.3	S45 Q46 G53 A323	S45-A49 PolarHBondContact O-N 3.11Å; Q46-A49 PolarHBondContact O-N 2.91Å; A49-G53 PolarHBondContact O-N 3.08Å; A49-A323 HydrophobicContact CB-CB 4.02Å
50	D	97.9	Very high	98	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.053	17%	0.171	C	C	.	.	H	α-helix	trans	-61.5	-51	176.8	-67.6	-11.2	0	0	0	110.5	F9 Q46 M52 G53 F54 K171 L318	F9-D50 VanDerWaalsContact CZ-O 3.28Å; F9-D50 WeakPolarHBondContact CZ-O 3.49Å; Q46-D50 PolarHBondContact NE2-OD1 3.23Å; Q46-D50 WeakPolarHBondContact O-CB 3.32Å; Q46-D50 PolarHBondContact O-N 3.44Å; D50-M52 PolarHBondContact O-N 3.06Å; D50-G53 PolarHBondContact O-N 3.41Å; D50-F54 WeakPolarHBondContact O-CB 3.29Å; D50-F54 PolarHBondContact O-N 2.93Å; D50-K171 IonicContact OD1-NZ 3.4Å; D50-K171 WeakPolarHBondContact OD2-CE 3.38Å; D50-K171 IonicContact OD2-NZ 3.47Å; D50-K171 PolarHBondContact OD2-NZ 3.43Å; D50-L318 HydrophobicContact CB-CD2 4.05Å
51	Y	98.6	Very high	98.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.4	-49.7	-179.5	-177.8	-94	0	0	0	112	A47 Y48 G53 F54 I55 A160 A163 A164 Y298 L303 F312	A47-Y51 WeakPolarHBondContact O-CB 3.47Å; A47-Y51 PolarHBondContact O-N 3.4Å; Y48-Y51 PolarHBondContact O-N 3.22Å; Y51-G53 PolarHBondContact O-N 2.88Å; Y51-F54 WeakPolarHBondContact O-CB 3.48Å; Y51-F54 PolarHBondContact O-N 2.95Å; Y51-I55 HydrophobicContact CD1-CG1 4.33Å; Y51-I55 HydrophobicContact CE1-CD1 4.42Å; Y51-I55 HydrophobicContact CE1-CG1 3.89Å; Y51-I55 WeakPolarHBondContact O-CG1 3.25Å; Y51-I55 PolarHBondContact O-N 3Å; Y51-I55 VanDerWaalsContact O-N 3.11Å; Y51-A160 WeakPolarHBondContact CE2-O 3.4Å; Y51-A160 VanDerWaalsContact OH-CA 3.25Å; Y51-A160 WeakPolarHBondContact OH-CA 3.49Å; Y51-A160 WeakPolarHBondContact OH-CB 3.35Å; Y51-A163 HydrophobicContact CE2-CB 3.79Å; Y51-A164 HydrophobicContact CD2-CB 4.33Å; Y51-A164 HydrophobicContact CE2-CB 4.33Å; Y51-Y298 AromaticContact CE1-CE1 4Å; Y51-Y298 HydrophobicContact CE1-CE1 4Å; Y51-Y298 PolarHBondContact OH-OH 3.22Å; Y51-L303 HydrophobicContact CD1-CD1 4.11Å; Y51-L303 HydrophobicContact CD1-CD2 4.28Å; Y51-L303 HydrophobicContact CE1-CD1 4.02Å; Y51-L303 HydrophobicContact CE1-CD2 3.74Å; Y51-F312 HydrophobicContact CD2-CE2 4.27Å; Y51-F312 HydrophobicContact CD2-CZ 4.33Å; Y51-F312 HydrophobicContact CE2-CE2 4.42Å
52	M	98.4	Very high	98.2	Very high	9 Å²	9	28 Å²	28	4%	0.044	14%	0.141	C	C	.	.	H	α-helix	trans	-65.2	-40.6	178	-80.7	-58.5	-39.9	0	0	112.4	Y48 D50 F54 I55 L56 K299 L303	Y48-M52 HydrophobicContact CD1-CG 4.24Å; Y48-M52 HydrophobicContact CE1-CG 3.78Å; Y48-M52 HydrophobicContact CE2-CG 4.17Å; Y48-M52 WeakPolarHBondContact O-CB 3.36Å; Y48-M52 PolarHBondContact O-N 2.79Å; D50-M52 PolarHBondContact O-N 3.06Å; M52-F54 VanDerWaalsContact C-N 3.26Å; M52-F54 PolarHBondContact O-N 3.41Å; M52-I55 PolarHBondContact O-N 3.39Å; M52-L56 HydrophobicContact CE-CD1 4.2Å; M52-L56 HydrophobicContact CE-CD2 4.31Å; M52-L56 HydrophobicContact CE-CG 4.06Å; M52-L56 VanDerWaalsContact O-CG 3.26Å; M52-L56 WeakPolarHBondContact O-CG 3.27Å; M52-L56 PolarHBondContact O-N 3.08Å; M52-K299 VanDerWaalsContact CE-CE 3.45Å; M52-K299 HydrophobicContact CE-CG 4.39Å; M52-K299 HydrophobicContact SD-CG 4.17Å; M52-L303 HydrophobicContact CG-CD1 4.02Å; M52-L303 HydrophobicContact SD-CD1 3.22Å; M52-L303 WeakPolarHBondContact SD-CD1 3.35Å
53	G	98.1	Very high	98.3	Very high	22 Å²	22	31.3 Å²	31.3	23%	0.227	16%	0.155	C	C	.	.	H	α-helix	trans	-58.8	-40.5	175.4	0	0	0	0	0	111.8	A49 D50 Y51 L56 T57	A49-G53 PolarHBondContact O-N 3.08Å; D50-G53 PolarHBondContact O-N 3.41Å; Y51-G53 PolarHBondContact O-N 2.88Å; G53-L56 PolarHBondContact O-N 2.97Å; G53-T57 VanDerWaalsContact O-CB 3.32Å; G53-T57 WeakPolarHBondContact O-CB 3.39Å; G53-T57 PolarHBondContact O-N 3.38Å; G53-T57 PolarHBondContact O-OG1 3.46Å
54	F	98.6	Very high	98.3	Very high	5 Å²	5	29.4 Å²	29.4	2%	0.022	16%	0.161	C	C	.	.	H	α-helix	trans	-62.3	-50.9	177.6	174.8	-107.3	0	0	0	111.1	F9 D50 Y51 M52 L56 T57 L58 A163 L166 C167 I183	F9-F54 HydrophobicContact CE1-CB 3.87Å; F9-F54 HydrophobicContact CE1-CD2 4.12Å; F9-F54 HydrophobicContact CE1-CG 4.49Å; F9-F54 HydrophobicContact CE2-CB 4.3Å; F9-F54 HydrophobicContact CZ-CB 3.46Å; F9-F54 VanDerWaalsContact CZ-CB 3.46Å; F9-F54 HydrophobicContact CZ-CG 4.5Å; D50-F54 WeakPolarHBondContact O-CB 3.29Å; D50-F54 PolarHBondContact O-N 2.93Å; Y51-F54 WeakPolarHBondContact O-CB 3.48Å; Y51-F54 PolarHBondContact O-N 2.95Å; M52-F54 VanDerWaalsContact C-N 3.26Å; M52-F54 PolarHBondContact O-N 3.41Å; F54-L56 VanDerWaalsContact C-N 3.31Å; F54-L56 PolarHBondContact O-N 3.35Å; F54-T57 PolarHBondContact O-N 3.36Å; F54-L58 HydrophobicContact CD1-CD1 4.25Å; F54-L58 HydrophobicContact CD2-CD1 4.35Å; F54-L58 HydrophobicContact CD2-CG 4.44Å; F54-L58 HydrophobicContact CE1-CD1 3.6Å; F54-L58 HydrophobicContact CE2-CD1 3.72Å; F54-L58 HydrophobicContact CE2-CD2 4.48Å; F54-L58 HydrophobicContact CE2-CG 4.13Å; F54-L58 HydrophobicContact CZ-CD1 3.32Å; F54-L58 HydrophobicContact CZ-CG 4.21Å; F54-L58 WeakPolarHBondContact O-CG 3.15Å; F54-L58 PolarHBondContact O-N 2.89Å; F54-A163 HydrophobicContact CE1-CB 4.29Å; F54-A163 VanDerWaalsContact CE1-O 3.31Å; F54-A163 WeakPolarHBondContact CE1-O 3.44Å; F54-L166 HydrophobicContact CE1-CB 4.17Å; F54-L166 HydrophobicContact CZ-CB 3.64Å; F54-C167 HydrophobicContact CB-CB 4.2Å; F54-C167 HydrophobicContact CD1-CB 3.91Å; F54-C167 HydrophobicContact CD2-CB 4.09Å; F54-C167 HydrophobicContact CE1-CB 4.26Å; F54-C167 HydrophobicContact CE2-CB 4.43Å; F54-C167 HydrophobicContact CG-CB 3.81Å; F54-C167 HydrophobicContact CZ-CB 4.49Å; F54-I183 HydrophobicContact CZ-CG2 4.25Å
55	I	98.8	Very high	98.4	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-58.1	-44.1	179.2	-61.6	-54.8	0	0	0	111.3	Y51 M52 N59 A163 L221 W225	Y51-I55 HydrophobicContact CD1-CG1 4.33Å; Y51-I55 HydrophobicContact CE1-CD1 4.42Å; Y51-I55 HydrophobicContact CE1-CG1 3.89Å; Y51-I55 WeakPolarHBondContact O-CG1 3.25Å; Y51-I55 PolarHBondContact O-N 3Å; Y51-I55 VanDerWaalsContact O-N 3.11Å; M52-I55 PolarHBondContact O-N 3.39Å; I55-N59 VanDerWaalsContact O-CB 3.28Å; I55-N59 WeakPolarHBondContact O-CB 3.47Å; I55-N59 PolarHBondContact O-N 3.02Å; I55-A163 HydrophobicContact CD1-CB 3.87Å; I55-L221 HydrophobicContact CD1-CD1 3.9Å; I55-L221 HydrophobicContact CD1-CD2 3.74Å; I55-L221 HydrophobicContact CG1-CD2 4.26Å; I55-L221 HydrophobicContact CG2-CD2 4.02Å; I55-W225 HydrophobicContact CD1-CH2 4.16Å; I55-W225 HydrophobicContact CD1-CZ2 3.6Å; I55-W225 PolarHBondContact O-NE1 3.23Å; I55-W225 VanDerWaalsContact O-NE1 3.14Å
56	L	98.8	Very high	98.4	Very high	42 Å²	42	29 Å²	29	22%	0.22	16%	0.163	C	C	.	.	H	α-helix	trans	-72	-36.6	-178.3	-64.7	176.4	0	0	0	112.7	M5 M52 G53 F54 N59 E60 I295	M5-L56 HydrophobicContact CE-CB 4.48Å; M52-L56 HydrophobicContact CE-CD1 4.2Å; M52-L56 HydrophobicContact CE-CD2 4.31Å; M52-L56 HydrophobicContact CE-CG 4.06Å; M52-L56 VanDerWaalsContact O-CG 3.26Å; M52-L56 WeakPolarHBondContact O-CG 3.27Å; M52-L56 PolarHBondContact O-N 3.08Å; G53-L56 PolarHBondContact O-N 2.97Å; F54-L56 VanDerWaalsContact C-N 3.31Å; F54-L56 PolarHBondContact O-N 3.35Å; L56-N59 WeakPolarHBondContact O-CB 3.32Å; L56-N59 PolarHBondContact O-N 3.13Å; L56-E60 PolarHBondContact O-N 3.25Å; L56-I295 HydrophobicContact CD2-CD1 3.83Å; L56-I295 HydrophobicContact CD2-CG1 4.29Å; L56-I295 HydrophobicContact CD2-CG2 3.94Å
57	T	98.3	Very high	98.3	Very high	28 Å²	28	27.9 Å²	27.9	17%	0.172	16%	0.158	C	C	.	.	H	α-helix	trans	-62.6	-48.7	175.6	-59.3	0	0	0	0	110.4	G53 F54 N59 E60 G61	G53-T57 VanDerWaalsContact O-CB 3.32Å; G53-T57 WeakPolarHBondContact O-CB 3.39Å; G53-T57 PolarHBondContact O-N 3.38Å; G53-T57 PolarHBondContact O-OG1 3.46Å; F54-T57 PolarHBondContact O-N 3.36Å; T57-N59 VanDerWaalsContact C-N 3.3Å; T57-N59 PolarHBondContact O-N 3.44Å; T57-E60 PolarHBondContact O-N 3.38Å; T57-G61 PolarHBondContact O-N 3Å
58	L	98.7	Very high	98.1	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-62.8	-38.5	175.3	-67.1	-173.4	0	0	0	112.1	F54 E60 G61 V62 Q180 I183 V184 W225	F54-L58 HydrophobicContact CD1-CD1 4.25Å; F54-L58 HydrophobicContact CD2-CD1 4.35Å; F54-L58 HydrophobicContact CD2-CG 4.44Å; F54-L58 HydrophobicContact CE1-CD1 3.6Å; F54-L58 HydrophobicContact CE2-CD1 3.72Å; F54-L58 HydrophobicContact CE2-CD2 4.48Å; F54-L58 HydrophobicContact CE2-CG 4.13Å; F54-L58 HydrophobicContact CZ-CD1 3.32Å; F54-L58 HydrophobicContact CZ-CG 4.21Å; F54-L58 WeakPolarHBondContact O-CG 3.15Å; F54-L58 PolarHBondContact O-N 2.89Å; L58-E60 PolarHBondContact O-N 3.31Å; L58-G61 PolarHBondContact O-N 2.86Å; L58-V62 WeakPolarHBondContact O-CG2 3.21Å; L58-V62 PolarHBondContact O-N 2.68Å; L58-V62 VanDerWaalsContact O-N 3.08Å; L58-Q180 HydrophobicContact CD2-CB 3.92Å; L58-I183 HydrophobicContact CD1-CG2 3.75Å; L58-I183 HydrophobicContact CD2-CB 4.4Å; L58-I183 HydrophobicContact CD2-CD1 4.44Å; L58-I183 HydrophobicContact CD2-CG2 4.31Å; L58-V184 HydrophobicContact CB-CG2 3.85Å; L58-V184 HydrophobicContact CD1-CG2 3.88Å; L58-V184 HydrophobicContact CD2-CG2 4.24Å; L58-V184 HydrophobicContact CG-CG2 4.22Å; L58-W225 HydrophobicContact CB-CZ2 4.14Å; L58-W225 HydrophobicContact CD1-CH2 4.1Å; L58-W225 HydrophobicContact CD1-CZ2 3.73Å
59	N	98.8	Very high	98.1	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.043	19%	0.192	C	C	.	.	H	α-helix	trans	-59.4	-43.7	176.9	-174.8	79.9	0	0	0	112.6	I55 L56 T57 V62 I224 S228 N291	I55-N59 VanDerWaalsContact O-CB 3.28Å; I55-N59 WeakPolarHBondContact O-CB 3.47Å; I55-N59 PolarHBondContact O-N 3.02Å; L56-N59 WeakPolarHBondContact O-CB 3.32Å; L56-N59 PolarHBondContact O-N 3.13Å; T57-N59 VanDerWaalsContact C-N 3.3Å; T57-N59 PolarHBondContact O-N 3.44Å; N59-V62 WeakPolarHBondContact O-CG2 3.15Å; N59-I224 VanDerWaalsContact OD1-CG2 3.24Å; N59-I224 WeakPolarHBondContact OD1-CG2 3.47Å; N59-I224 PolarHBondContact OD1-O 3.42Å; N59-S228 WeakPolarHBondContact O-CB 3.38Å; N59-S228 PolarHBondContact O-OG 2.95Å; N59-S228 WeakPolarHBondContact OD1-CB 3.06Å; N59-N291 PolarHBondContact ND2-OD1 2.8Å; N59-N291 PolarHBondContact OD1-ND2 3.05Å
60	E	98.4	Very high	98	Very high	89 Å²	89	39.9 Å²	39.9	42%	0.416	22%	0.219	S	C	.	.	H	α-helix	trans	-70.7	-38.2	175.1	-168.1	61.2	-153.4	0	0	111.3	L56 T57 L58 V62 K63	L56-E60 PolarHBondContact O-N 3.25Å; T57-E60 PolarHBondContact O-N 3.38Å; L58-E60 PolarHBondContact O-N 3.31Å; E60-V62 VanDerWaalsContact C-N 3.32Å; E60-V62 PolarHBondContact O-N 3.35Å; E60-K63 WeakPolarHBondContact O-CB 3.48Å; E60-K63 PolarHBondContact O-N 3.06Å; E60-K63 WeakPolarHBondContact OE1-CD 3.22Å; E60-K63 IonicContact OE1-NZ 3.67Å; E60-K63 PolarHBondContact OE1-NZ 3.37Å; E60-K63 IonicContact OE2-NZ 3.45Å
61	G	97.9	Very high	97.9	Very high	8 Å²	8	42.1 Å²	42.1	8%	0.082	23%	0.226	C	C	.	.	H	α-helix	trans	-54.7	-45	177.8	0	0	0	0	0	113.1	T57 L58 K63 K65 L181	T57-G61 PolarHBondContact O-N 3Å; L58-G61 PolarHBondContact O-N 2.86Å; G61-K63 VanDerWaalsContact C-N 3.32Å; G61-K63 PolarHBondContact O-N 2.86Å; G61-K65 PolarHBondContact O-NZ 3.23Å; G61-L181 VanDerWaalsContact O-CD2 3.28Å; G61-L181 WeakPolarHBondContact O-CD2 3.37Å
62	V	98.5	Very high	97.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.3	-177	-60	0	0	0	0	115	L58 N59 E60 G64 K65 L181 V184 F185 W225	L58-V62 WeakPolarHBondContact O-CG2 3.21Å; L58-V62 PolarHBondContact O-N 2.68Å; L58-V62 VanDerWaalsContact O-N 3.08Å; N59-V62 WeakPolarHBondContact O-CG2 3.15Å; E60-V62 VanDerWaalsContact C-N 3.32Å; E60-V62 PolarHBondContact O-N 3.35Å; V62-G64 PolarHBondContact O-N 2.87Å; V62-K65 PolarHBondContact O-N 3.28Å; V62-K65 VanDerWaalsContact O-N 3.16Å; V62-L181 HydrophobicContact CG1-CD2 4.18Å; V62-V184 HydrophobicContact CG1-CB 3.7Å; V62-V184 HydrophobicContact CG1-CG1 3.89Å; V62-V184 HydrophobicContact CG1-CG2 3.8Å; V62-F185 HydrophobicContact CB-CE1 3.52Å; V62-F185 HydrophobicContact CB-CZ 3.5Å; V62-F185 VanDerWaalsContact CB-CZ 3.5Å; V62-F185 HydrophobicContact CG1-CD1 3.99Å; V62-F185 HydrophobicContact CG1-CE1 3.37Å; V62-F185 HydrophobicContact CG1-CE2 4.4Å; V62-F185 HydrophobicContact CG1-CZ 3.63Å; V62-W225 HydrophobicContact CG2-CB 4.17Å
63	K	98.6	Very high	97.7	Very high	70 Å²	70	50.5 Å²	50.5	30%	0.304	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	128.3	-175.4	-174.7	178.6	174.7	-179	0	112.3	E60 G61 K65 S228 I231	E60-K63 WeakPolarHBondContact O-CB 3.48Å; E60-K63 PolarHBondContact O-N 3.06Å; E60-K63 WeakPolarHBondContact OE1-CD 3.22Å; E60-K63 IonicContact OE1-NZ 3.67Å; E60-K63 PolarHBondContact OE1-NZ 3.37Å; E60-K63 IonicContact OE2-NZ 3.45Å; G61-K63 VanDerWaalsContact C-N 3.32Å; G61-K63 PolarHBondContact O-N 2.86Å; K63-K65 PolarHBondContact O-N 3.03Å; K63-K65 PolarHBondContact O-NZ 3.44Å; K63-K65 VanDerWaalsContact O-NZ 3.11Å; K63-S228 WeakPolarHBondContact CA-O 3.27Å; K63-S228 WeakPolarHBondContact CA-OG 3.32Å; K63-S228 WeakPolarHBondContact CB-OG 2.87Å; K63-I231 HydrophobicContact CD-CD1 4.49Å; K63-I231 HydrophobicContact CG-CB 4.05Å; K63-I231 HydrophobicContact CG-CD1 4.23Å; K63-I231 HydrophobicContact CG-CG2 4.29Å
64	G	98.3	Very high	97.7	Very high	48 Å²	48	51 Å²	51	50%	0.495	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	15	178.2	0	0	0	0	0	115.2	V62 S228 Q229	V62-G64 PolarHBondContact O-N 2.87Å; G64-S228 PolarHBondContact N-O 2.67Å; G64-Q229 CarbonylContact C-O 3.54Å; G64-Q229 VanDerWaalsContact CA-O 3.31Å; G64-Q229 WeakPolarHBondContact CA-O 3.36Å
65	K	98.4	Very high	97.7	Very high	75 Å²	75	56.7 Å²	56.7	33%	0.326	30%	0.295	S	S	.	.			trans	-115.9	136.4	-174.8	-63.9	176.1	-164.8	73.2	0	111.8	G61 V62 K63 L181 F185 Q229	G61-K65 PolarHBondContact O-NZ 3.23Å; V62-K65 PolarHBondContact O-N 3.28Å; V62-K65 VanDerWaalsContact O-N 3.16Å; K63-K65 PolarHBondContact O-N 3.03Å; K63-K65 PolarHBondContact O-NZ 3.44Å; K63-K65 VanDerWaalsContact O-NZ 3.11Å; K65-L181 HydrophobicContact CD-CD1 4.01Å; K65-L181 HydrophobicContact CD-CD2 3.8Å; K65-F185 HydrophobicContact CB-CE2 3.79Å; K65-F185 HydrophobicContact CB-CZ 3.96Å; K65-F185 WeakPolarHBondContact O-CZ 2.98Å; K65-Q229 WeakPolarHBondContact O-CB 3.12Å; K65-Q229 VanDerWaalsContact O-CG 3.27Å; K65-Q229 WeakPolarHBondContact O-CG 3.29Å; K65-Q229 PolarHBondContact O-NE2 3.03Å
66	K	98.1	Very high	97.7	Very high	77 Å²	77	57.5 Å²	57.5	34%	0.335	30%	0.3	S	S	.	.			trans	-74	154.6	172	-66.8	-177.7	164.3	-155.6	0	111	T68 C69 F185 D253 Y254	K66-T68 PolarHBondContact O-N 3.48Å; K66-T68 VanDerWaalsContact O-N 3.17Å; K66-C69 PolarHBondContact O-N 3.24Å; K66-C69 VanDerWaalsContact O-N 3.15Å; K66-C69 PolarHBondContact O-SG 2.98Å; K66-C69 VanDerWaalsContact O-SG 3.32Å; K66-F185 VanDerWaalsContact O-CE2 3.23Å; K66-F185 WeakPolarHBondContact O-CE2 3.35Å; K66-D253 WeakPolarHBondContact CA-O 3.26Å; K66-D253 HydrophobicContact CB-CB 4.3Å; K66-D253 HydrophobicContact CD-CB 4.09Å; K66-D253 WeakPolarHBondContact CE-OD2 3.45Å; K66-D253 HydrophobicContact CG-CB 4.18Å; K66-D253 IonicContact NZ-OD2 2.8Å; K66-D253 PolarHBondContact NZ-OD2 2.96Å; K66-Y254 WeakPolarHBondContact CE-OH 3.44Å; K66-Y254 HydrophobicContact CG-CE1 4.05Å
67	L	96.9	Very high	97.7	Very high	14 Å²	14	55.5 Å²	55.5	7%	0.073	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.2	169.8	-71.9	173.8	0	0	0	112.2	F185 D253 M255	L67-F185 HydrophobicContact CD2-CB 3.83Å; L67-F185 HydrophobicContact CD2-CD1 3.51Å; L67-F185 HydrophobicContact CD2-CE1 4.2Å; L67-F185 HydrophobicContact CD2-CG 3.81Å; L67-D253 WeakPolarHBondContact CG-O 3.42Å; L67-D253 PolarHBondContact N-O 3.03Å; L67-M255 HydrophobicContact CD2-CB 4.46Å; L67-M255 HydrophobicContact CD2-CE 4.27Å
68	T	94.5	Very high	97.7	Very high	93 Å²	93	59.8 Å²	59.8	57%	0.571	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	3.3	-176.7	50.7	0	0	0	0	114.2	K66 D253	K66-T68 PolarHBondContact O-N 3.48Å; K66-T68 VanDerWaalsContact O-N 3.17Å; T68-D253 WeakPolarHBondContact CG2-OD1 3.41Å; T68-D253 PolarHBondContact OG1-OD1 3.08Å
69	C	96.6	Very high	97.7	Very high	39 Å²	39	63.1 Å²	63.1	26%	0.264	32%	0.322	S	S	.	.	S	Bend	trans	-66.2	159.5	175.9	77.7	0	0	0	0	111.4	K66 Y71	K66-C69 PolarHBondContact O-N 3.24Å; K66-C69 VanDerWaalsContact O-N 3.15Å; K66-C69 PolarHBondContact O-SG 2.98Å; K66-C69 VanDerWaalsContact O-SG 3.32Å; C69-Y71 WeakPolarHBondContact O-CD1 3.43Å; C69-Y71 WeakPolarHBondContact O-CE1 3.48Å
70	E	96.8	Very high	97.7	Very high	195 Å²	195	62.8 Å²	62.8	91%	0.911	32%	0.32	S	S	*	.			trans	-72.5	133.5	175.2	-65.2	-175.8	171	0	0	110.7
71	Y	96.6	Very high	97.7	Very high	56 Å²	56	60.4 Å²	60.4	22%	0.22	31%	0.31	C	S	.	.			trans	-155.9	153.7	172	50.4	-95.7	0	0	0	110.1	C69 V73 L181 A182 F185 K186	C69-Y71 WeakPolarHBondContact O-CD1 3.43Å; C69-Y71 WeakPolarHBondContact O-CE1 3.48Å; Y71-V73 HydrophobicContact CD2-CG2 4.36Å; Y71-V73 HydrophobicContact CE2-CG2 4.33Å; Y71-L181 HydrophobicContact CD1-CB 4.21Å; Y71-L181 HydrophobicContact CD2-CB 4.43Å; Y71-L181 HydrophobicContact CG-CB 3.9Å; Y71-A182 HydrophobicContact CD2-CB 3.87Å; Y71-A182 HydrophobicContact CE2-CB 4Å; Y71-F185 HydrophobicContact CD1-CD2 4.2Å; Y71-F185 HydrophobicContact CE1-CB 3.9Å; Y71-F185 AromaticContact CE1-CD2 3.84Å; Y71-F185 HydrophobicContact CE1-CD2 3.84Å; Y71-F185 HydrophobicContact CE1-CG 4.4Å; Y71-F185 WeakPolarHBondContact OH-CB 3.13Å; Y71-K186 HydrophobicContact CE2-CB 4.3Å; Y71-K186 HydrophobicContact CE2-CD 4.28Å
72	E	94.9	Very high	97.7	Very high	140 Å²	140	62 Å²	62	65%	0.654	33%	0.327	S	S	*	.			trans	-69	147.7	178.5	-65.1	-175.8	164.3	0	0	111.5
73	V	97.8	Very high	97.8	Very high	46 Å²	46	62.2 Å²	62.2	28%	0.279	33%	0.328	S	S	.	.			trans	-125.7	104	177.4	-179.3	0	0	0	0	106.4	Y71 V77 E78 K186	Y71-V73 HydrophobicContact CD2-CG2 4.36Å; Y71-V73 HydrophobicContact CE2-CG2 4.33Å; V73-V77 HydrophobicContact CG1-CB 4.14Å; V73-V77 HydrophobicContact CG1-CG1 3.79Å; V73-E78 HydrophobicContact CG1-CG 3.81Å; V73-K186 HydrophobicContact CG1-CD 4.25Å; V73-K186 HydrophobicContact CG2-CD 3.91Å; V73-K186 VanDerWaalsContact CG2-NZ 3.31Å
74	S	97.9	Very high	97.8	Very high	33 Å²	33	58.9 Å²	58.9	23%	0.231	31%	0.314	C	S	.	.			trans	-74.9	164.1	178	63.6	0	0	0	0	112.4	T76 V77 E78 D179	S74-T76 PolarHBondContact O-N 3.47Å; S74-V77 WeakPolarHBondContact O-CB 3.33Å; S74-V77 PolarHBondContact O-N 2.84Å; S74-V77 WeakPolarHBondContact OG-CG2 3.45Å; S74-V77 PolarHBondContact OG-N 3.47Å; S74-E78 PolarHBondContact O-N 3.1Å; S74-D179 WeakPolarHBondContact CB-OD1 3.4Å; S74-D179 VanDerWaalsContact OG-CG 3.32Å; S74-D179 PolarHBondContact OG-OD1 2.8Å
75	E	97.9	Very high	97.8	Very high	123 Å²	123	58 Å²	58	58%	0.575	30%	0.304	S	S	*	.	H	α-helix	trans	-55.4	-39.6	172.9	-171.6	-170.3	159.1	0	0	112	V77 E78 K79	E75-V77 VanDerWaalsContact C-N 3.31Å; E75-V77 PolarHBondContact O-N 3.17Å; E75-E78 PolarHBondContact O-N 3.05Å; E75-K79 HydrophobicContact CG-CD 4.25Å; E75-K79 WeakPolarHBondContact O-CG 3.39Å; E75-K79 PolarHBondContact O-N 2.99Å; E75-K79 WeakPolarHBondContact OE1-CE 3.5Å; E75-K79 IonicContact OE1-NZ 3.8Å; E75-K79 PolarHBondContact OE1-NZ 2.92Å
76	T	98.1	Very high	97.8	Very high	18 Å²	18	55.9 Å²	55.9	11%	0.11	30%	0.298	C	S	.	.	H	α-helix	trans	-60.5	-41.8	175.7	-53.1	0	0	0	0	111.2	S74 K79 L80 V126 A174 L175	S74-T76 PolarHBondContact O-N 3.47Å; T76-K79 PolarHBondContact O-N 3.23Å; T76-L80 HydrophobicContact CG2-CD1 4.49Å; T76-L80 WeakPolarHBondContact O-CG 3.34Å; T76-L80 PolarHBondContact O-N 2.6Å; T76-V126 HydrophobicContact CG2-CG1 3.91Å; T76-A174 WeakPolarHBondContact CB-O 3.4Å; T76-A174 HydrophobicContact CG2-CB 4.3Å; T76-A174 WeakPolarHBondContact CG2-O 3.44Å; T76-A174 PolarHBondContact OG1-O 3.1Å; T76-L175 HydrophobicContact CG2-CD2 3.74Å; T76-L175 HydrophobicContact CG2-CG 4.06Å
77	V	98.6	Very high	97.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.9	-42.8	176	171.3	0	0	0	0	111	V73 S74 E75 K79 L80 L81 L175 D179 A182 K186 V187	V73-V77 HydrophobicContact CG1-CB 4.14Å; V73-V77 HydrophobicContact CG1-CG1 3.79Å; S74-V77 WeakPolarHBondContact O-CB 3.33Å; S74-V77 PolarHBondContact O-N 2.84Å; S74-V77 WeakPolarHBondContact OG-CG2 3.45Å; S74-V77 PolarHBondContact OG-N 3.47Å; E75-V77 VanDerWaalsContact C-N 3.31Å; E75-V77 PolarHBondContact O-N 3.17Å; V77-K79 VanDerWaalsContact C-N 3.34Å; V77-K79 PolarHBondContact O-N 3.4Å; V77-L80 WeakPolarHBondContact O-CB 3.44Å; V77-L80 PolarHBondContact O-N 3.15Å; V77-L81 HydrophobicContact CG1-CD1 4.34Å; V77-L81 WeakPolarHBondContact O-CG 3.23Å; V77-L81 PolarHBondContact O-N 3.03Å; V77-L175 HydrophobicContact CG2-CD2 3.95Å; V77-D179 HydrophobicContact CG2-CB 4.2Å; V77-A182 HydrophobicContact CG1-CB 4.11Å; V77-A182 HydrophobicContact CG2-CB 3.97Å; V77-K186 HydrophobicContact CG1-CD 4.43Å; V77-V187 HydrophobicContact CG1-CG2 3.84Å
78	E	98.7	Very high	97.9	Very high	119 Å²	119	53 Å²	53	56%	0.556	29%	0.286	S	S	*	.	H	α-helix	trans	-61.1	-42.9	176	-65.2	-171	157.4	0	0	112.1	V73 S74 E75 L80 L81 G82	V73-E78 HydrophobicContact CG1-CG 3.81Å; S74-E78 PolarHBondContact O-N 3.1Å; E75-E78 PolarHBondContact O-N 3.05Å; E78-L80 VanDerWaalsContact C-N 3.34Å; E78-L80 PolarHBondContact O-N 3.32Å; E78-L81 WeakPolarHBondContact O-CB 3.29Å; E78-L81 PolarHBondContact O-N 3Å; E78-L81 VanDerWaalsContact O-N 3.17Å; E78-G82 PolarHBondContact O-N 2.95Å
79	K	98.8	Very high	98.1	Very high	74 Å²	74	54 Å²	54	32%	0.322	28%	0.279	S	S	.	.	H	α-helix	trans	-61.8	-39.9	174.6	-72.8	168.1	170.7	175.1	0	112.2	E75 T76 V77 L81 G82 L83 A125 V126	E75-K79 HydrophobicContact CG-CD 4.25Å; E75-K79 WeakPolarHBondContact O-CG 3.39Å; E75-K79 PolarHBondContact O-N 2.99Å; E75-K79 WeakPolarHBondContact OE1-CE 3.5Å; E75-K79 IonicContact OE1-NZ 3.8Å; E75-K79 PolarHBondContact OE1-NZ 2.92Å; T76-K79 PolarHBondContact O-N 3.23Å; V77-K79 VanDerWaalsContact C-N 3.34Å; V77-K79 PolarHBondContact O-N 3.4Å; K79-L81 VanDerWaalsContact C-N 3.34Å; K79-L81 PolarHBondContact O-N 3.03Å; K79-G82 PolarHBondContact O-N 2.95Å; K79-L83 PolarHBondContact O-N 3.3Å; K79-A125 WeakPolarHBondContact CD-O 3.18Å; K79-V126 HydrophobicContact CB-CB 4.42Å; K79-V126 HydrophobicContact CB-CG2 4.1Å
80	L	98.9	Very high	98.3	Very high	1 Å²	1	53 Å²	53	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-39.9	173.6	-78.3	167.9	0	0	0	112.3	T76 V77 E78 G82 L83 L84 V126 F165 L166 L169 L175 V187	T76-L80 HydrophobicContact CG2-CD1 4.49Å; T76-L80 WeakPolarHBondContact O-CG 3.34Å; T76-L80 PolarHBondContact O-N 2.6Å; V77-L80 WeakPolarHBondContact O-CB 3.44Å; V77-L80 PolarHBondContact O-N 3.15Å; E78-L80 VanDerWaalsContact C-N 3.34Å; E78-L80 PolarHBondContact O-N 3.32Å; L80-G82 VanDerWaalsContact C-N 3.33Å; L80-L83 WeakPolarHBondContact O-CB 3.44Å; L80-L83 PolarHBondContact O-N 2.88Å; L80-L84 WeakPolarHBondContact O-CG 3.5Å; L80-L84 PolarHBondContact O-N 3.13Å; L80-V126 HydrophobicContact CD2-CG1 3.84Å; L80-V126 HydrophobicContact CD2-CG2 4.16Å; L80-V126 HydrophobicContact CG-CG1 3.78Å; L80-V126 HydrophobicContact CG-CG2 4.42Å; L80-F165 HydrophobicContact CD2-CE1 3.68Å; L80-F165 HydrophobicContact CD2-CZ 3.71Å; L80-L166 HydrophobicContact CD1-CD2 4.32Å; L80-L169 HydrophobicContact CD1-CD1 4.06Å; L80-L169 HydrophobicContact CD2-CD1 3.76Å; L80-L169 HydrophobicContact CG-CD1 4.4Å; L80-L175 HydrophobicContact CD1-CD1 4.03Å; L80-L175 HydrophobicContact CD1-CD2 4.03Å; L80-L175 HydrophobicContact CD1-CG 4.39Å; L80-V187 HydrophobicContact CB-CG1 4.19Å; L80-V187 HydrophobicContact CB-CG2 4.1Å; L80-V187 HydrophobicContact CD1-CG1 4.28Å; L80-V187 HydrophobicContact CD1-CG2 4.13Å
81	L	98.8	Very high	98.4	Very high	39 Å²	39	44 Å²	44	20%	0.204	23%	0.228	C	C	.	.	H	α-helix	trans	-65.9	-37.9	174.2	-64.4	170.9	0	0	0	111.4	V77 E78 K79 L84 G85 K186 R190	V77-L81 HydrophobicContact CG1-CD1 4.34Å; V77-L81 WeakPolarHBondContact O-CG 3.23Å; V77-L81 PolarHBondContact O-N 3.03Å; E78-L81 WeakPolarHBondContact O-CB 3.29Å; E78-L81 PolarHBondContact O-N 3Å; E78-L81 VanDerWaalsContact O-N 3.17Å; K79-L81 VanDerWaalsContact C-N 3.34Å; K79-L81 PolarHBondContact O-N 3.03Å; L81-L84 PolarHBondContact O-N 2.95Å; L81-G85 PolarHBondContact O-N 3.32Å; L81-K186 HydrophobicContact CD1-CD 3.86Å; L81-K186 HydrophobicContact CD1-CG 3.94Å; L81-K186 HydrophobicContact CD2-CG 4.25Å; L81-R190 HydrophobicContact CD2-CB 3.87Å; L81-R190 HydrophobicContact CD2-CG 4Å
82	G	98.8	Very high	98.4	Very high	41 Å²	41	46.2 Å²	46.2	42%	0.423	24%	0.243	S	C	.	.	H	α-helix	trans	-62.2	-41.3	172.2	0	0	0	0	0	113	E78 K79 L80 G85 T86	E78-G82 PolarHBondContact O-N 2.95Å; K79-G82 PolarHBondContact O-N 2.95Å; L80-G82 VanDerWaalsContact C-N 3.33Å; G82-G85 PolarHBondContact O-N 3.03Å; G82-T86 PolarHBondContact O-N 3.19Å; G82-T86 PolarHBondContact O-OG1 3.22Å; G82-T86 VanDerWaalsContact O-OG1 3.09Å
83	L	98.8	Very high	98.6	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-59.8	-53.1	172.9	-178.6	162	0	0	0	110.6	K79 L80 G85 T86 L87 L122 V126 L142	K79-L83 PolarHBondContact O-N 3.3Å; L80-L83 WeakPolarHBondContact O-CB 3.44Å; L80-L83 PolarHBondContact O-N 2.88Å; L83-G85 VanDerWaalsContact C-N 3.27Å; L83-G85 PolarHBondContact O-N 3.19Å; L83-T86 WeakPolarHBondContact O-CB 3.37Å; L83-T86 PolarHBondContact O-N 3.46Å; L83-T86 VanDerWaalsContact O-N 3.08Å; L83-L87 HydrophobicContact CD2-CD1 3.97Å; L83-L87 HydrophobicContact CD2-CG 4.25Å; L83-L87 PolarHBondContact O-N 3.06Å; L83-L87 VanDerWaalsContact O-N 3.08Å; L83-L122 HydrophobicContact CD1-CB 3.9Å; L83-L122 HydrophobicContact CG-CB 4.08Å; L83-L122 HydrophobicContact CG-CD1 4.44Å; L83-L122 HydrophobicContact CG-CD2 4.45Å; L83-V126 HydrophobicContact CB-CG2 4.25Å; L83-V126 HydrophobicContact CD1-CG2 3.79Å; L83-L142 HydrophobicContact CD1-CD2 4.04Å; L83-L142 HydrophobicContact CD2-CD1 4.22Å; L83-L142 HydrophobicContact CD2-CD2 4.14Å
84	L	98.9	Very high	98.6	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-33.9	178.5	-67	174.7	0	0	0	112.4	L80 L81 T86 L87 D88 F162 V187 R190 Y191 L194	L80-L84 WeakPolarHBondContact O-CG 3.5Å; L80-L84 PolarHBondContact O-N 3.13Å; L81-L84 PolarHBondContact O-N 2.95Å; L84-T86 VanDerWaalsContact C-N 3.34Å; L84-L87 HydrophobicContact CD2-CD1 4.43Å; L84-L87 PolarHBondContact O-N 3.47Å; L84-D88 PolarHBondContact O-N 3.4Å; L84-F162 HydrophobicContact CD1-CZ 4.45Å; L84-F162 HydrophobicContact CD2-CE2 4.23Å; L84-F162 HydrophobicContact CD2-CZ 4.19Å; L84-V187 HydrophobicContact CD1-CG1 4.07Å; L84-V187 WeakPolarHBondContact CD1-O 2.9Å; L84-R190 HydrophobicContact CB-CG 3.99Å; L84-R190 HydrophobicContact CD1-CB 3.94Å; L84-R190 HydrophobicContact CD1-CG 3.81Å; L84-Y191 HydrophobicContact CD2-CD2 4.49Å; L84-L194 HydrophobicContact CD2-CD2 4.01Å
85	G	98.8	Very high	98.6	Very high	28 Å²	28	44.4 Å²	44.4	29%	0.289	24%	0.236	S	C	.	.	H	α-helix	trans	-64.4	-37	172.8	0	0	0	0	0	112.8	L81 G82 L83 D88 R89	L81-G85 PolarHBondContact O-N 3.32Å; G82-G85 PolarHBondContact O-N 3.03Å; L83-G85 VanDerWaalsContact C-N 3.27Å; L83-G85 PolarHBondContact O-N 3.19Å; G85-D88 PolarHBondContact O-N 3.17Å; G85-R89 WeakPolarHBondContact O-CB 3.4Å; G85-R89 PolarHBondContact O-N 2.93Å
86	T	98.9	Very high	98.6	Very high	32 Å²	32	41.8 Å²	41.8	20%	0.196	23%	0.23	C	C	.	.	H	α-helix	trans	-65	-45.7	173.5	-64.8	0	0	0	0	111.4	G82 L83 L84 D88 R89 W90 L122	G82-T86 PolarHBondContact O-N 3.19Å; G82-T86 PolarHBondContact O-OG1 3.22Å; G82-T86 VanDerWaalsContact O-OG1 3.09Å; L83-T86 WeakPolarHBondContact O-CB 3.37Å; L83-T86 PolarHBondContact O-N 3.46Å; L83-T86 VanDerWaalsContact O-N 3.08Å; L84-T86 VanDerWaalsContact C-N 3.34Å; T86-D88 VanDerWaalsContact C-N 3.29Å; T86-D88 PolarHBondContact O-N 3.38Å; T86-R89 PolarHBondContact O-N 3.43Å; T86-W90 HydrophobicContact CG2-CD2 4.27Å; T86-W90 HydrophobicContact CG2-CH2 4.08Å; T86-W90 HydrophobicContact CG2-CZ2 3.54Å; T86-W90 PolarHBondContact O-N 3.36Å; T86-W90 VanDerWaalsContact O-N 3.07Å; T86-L122 HydrophobicContact CG2-CD2 4.1Å
87	L	98.9	Very high	98.6	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-40.3	175.9	-62.5	-171.2	0	0	0	112.1	L83 L84 W90 W111 L115 L122 L194	L83-L87 HydrophobicContact CD2-CD1 3.97Å; L83-L87 HydrophobicContact CD2-CG 4.25Å; L83-L87 PolarHBondContact O-N 3.06Å; L83-L87 VanDerWaalsContact O-N 3.08Å; L84-L87 HydrophobicContact CD2-CD1 4.43Å; L84-L87 PolarHBondContact O-N 3.47Å; L87-W90 HydrophobicContact CD2-CE3 3.69Å; L87-W90 HydrophobicContact CD2-CH2 4.29Å; L87-W90 HydrophobicContact CD2-CZ3 3.4Å; L87-W90 PolarHBondContact O-N 2.84Å; L87-W111 HydrophobicContact CB-CZ2 4.16Å; L87-W111 PolarHBondContact O-NE1 3.28Å; L87-L115 HydrophobicContact CD2-CD1 3.83Å; L87-L122 HydrophobicContact CD2-CD1 4.03Å; L87-L194 HydrophobicContact CB-CD1 4.1Å; L87-L194 HydrophobicContact CB-CD2 3.69Å; L87-L194 HydrophobicContact CD1-CD2 3.85Å; L87-L194 HydrophobicContact CG-CD2 4.42Å
88	D	98.8	Very high	98.4	Very high	30 Å²	30	52.5 Å²	52.5	16%	0.16	29%	0.289	C	S	.	.	H	α-helix	trans	-66.1	-43.1	176.6	-171.6	94.6	0	0	0	112.7	L84 G85 T86 W90 I91 R190 L194 K197	L84-D88 PolarHBondContact O-N 3.4Å; G85-D88 PolarHBondContact O-N 3.17Å; T86-D88 VanDerWaalsContact C-N 3.29Å; T86-D88 PolarHBondContact O-N 3.38Å; D88-W90 VanDerWaalsContact C-N 3.27Å; D88-W90 PolarHBondContact O-N 2.67Å; D88-I91 VanDerWaalsContact O-CB 3.27Å; D88-I91 WeakPolarHBondContact O-CB 3.15Å; D88-I91 PolarHBondContact O-N 3.37Å; D88-R190 IonicContact OD1-NH1 2.72Å; D88-R190 IonicContact OD1-NH2 3.65Å; D88-R190 PolarHBondContact OD1-NH2 2.71Å; D88-L194 VanDerWaalsContact CA-CD1 3.49Å; D88-L194 HydrophobicContact CB-CD1 3.8Å; D88-K197 VanDerWaalsContact OD1-CD 3.23Å; D88-K197 WeakPolarHBondContact OD1-CD 3.48Å; D88-K197 IonicContact OD1-NZ 3.41Å; D88-K197 PolarHBondContact OD1-NZ 3.02Å; D88-K197 IonicContact OD2-NZ 3.51Å; D88-K197 PolarHBondContact OD2-NZ 2.87Å
89	R	98.8	Very high	98.1	Very high	113 Å²	113	48.2 Å²	48.2	43%	0.426	27%	0.269	S	S	.	.	H	α-helix	trans	-58.6	-41.5	176.2	175.5	177.9	56.9	91	-4.5	111.1	G85 T86 I91 N92 E93	G85-R89 WeakPolarHBondContact O-CB 3.4Å; G85-R89 PolarHBondContact O-N 2.93Å; T86-R89 PolarHBondContact O-N 3.43Å; R89-I91 PolarHBondContact O-N 3.11Å; R89-N92 WeakPolarHBondContact O-CB 3.46Å; R89-N92 PolarHBondContact O-N 3.45Å; R89-E93 WeakPolarHBondContact CG-OE1 3.15Å; R89-E93 IonicContact CZ-OE1 3.62Å; R89-E93 IonicContact NE-OE1 3.95Å; R89-E93 IonicContact NH1-OE1 2.69Å; R89-E93 PolarHBondContact NH1-OE1 3.46Å; R89-E93 IonicContact NH1-OE2 2.84Å; R89-E93 PolarHBondContact O-N 3.34Å; R89-E93 VanDerWaalsContact O-N 3.13Å
90	W	98.9	Very high	97.5	Very high	19 Å²	19	51.3 Å²	51.3	7%	0.072	30%	0.296	C	S	.	.	H	α-helix	trans	-62	-24.8	177.4	-68.4	-17.9	0	0	0	113.6	T86 L87 D88 N92 E93 T94 W111 K114 L115 E118 L122	T86-W90 HydrophobicContact CG2-CD2 4.27Å; T86-W90 HydrophobicContact CG2-CH2 4.08Å; T86-W90 HydrophobicContact CG2-CZ2 3.54Å; T86-W90 PolarHBondContact O-N 3.36Å; T86-W90 VanDerWaalsContact O-N 3.07Å; L87-W90 HydrophobicContact CD2-CE3 3.69Å; L87-W90 HydrophobicContact CD2-CH2 4.29Å; L87-W90 HydrophobicContact CD2-CZ3 3.4Å; L87-W90 PolarHBondContact O-N 2.84Å; D88-W90 VanDerWaalsContact C-N 3.27Å; D88-W90 PolarHBondContact O-N 2.67Å; W90-N92 VanDerWaalsContact C-N 3.35Å; W90-E93 PolarHBondContact O-N 2.86Å; W90-T94 VanDerWaalsContact O-CB 3.23Å; W90-T94 WeakPolarHBondContact O-CB 3.41Å; W90-T94 PolarHBondContact O-N 3.38Å; W90-T94 VanDerWaalsContact O-N 3.09Å; W90-T94 PolarHBondContact O-OG1 3.25Å; W90-W111 VanDerWaalsContact C-CD1 3.5Å; W90-K114 HydrophobicContact CB-CD 4.2Å; W90-K114 HydrophobicContact CD2-CB 4.08Å; W90-K114 HydrophobicContact CD2-CD 4.11Å; W90-K114 HydrophobicContact CE3-CB 3.89Å; W90-K114 HydrophobicContact CG-CD 3.89Å; W90-K114 HydrophobicContact CH2-CB 4.5Å; W90-K114 HydrophobicContact CZ3-CB 4.11Å; W90-L115 HydrophobicContact CZ3-CB 4.26Å; W90-E118 HydrophobicContact CH2-CB 3.53Å; W90-E118 HydrophobicContact CH2-CG 3.84Å; W90-E118 HydrophobicContact CZ2-CB 4.12Å; W90-E118 HydrophobicContact CZ2-CG 3.98Å; W90-L122 HydrophobicContact CH2-CD1 3.73Å; W90-L122 HydrophobicContact CZ3-CD1 4.17Å
91	I	98.8	Very high	97	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-64.3	-44.3	172.8	-57.4	173.2	0	0	0	109.6	D88 R89 E93 T94 L194 K197 L198 T201 Y202	D88-I91 VanDerWaalsContact O-CB 3.27Å; D88-I91 WeakPolarHBondContact O-CB 3.15Å; D88-I91 PolarHBondContact O-N 3.37Å; R89-I91 PolarHBondContact O-N 3.11Å; I91-E93 VanDerWaalsContact C-N 3.3Å; I91-E93 PolarHBondContact O-N 3.48Å; I91-T94 CarbonylContact O-C 3.57Å; I91-T94 PolarHBondContact O-N 3.15Å; I91-T94 VanDerWaalsContact O-N 3.16Å; I91-L194 HydrophobicContact CD1-CD1 3.62Å; I91-K197 HydrophobicContact CD1-CB 4.24Å; I91-K197 HydrophobicContact CD1-CD 3.95Å; I91-K197 HydrophobicContact CD1-CG 4.06Å; I91-K197 HydrophobicContact CG2-CD 4.45Å; I91-K197 HydrophobicContact CG2-CG 4.39Å; I91-L198 HydrophobicContact CD1-CD2 3.48Å; I91-L198 VanDerWaalsContact CD1-CD2 3.48Å; I91-L198 HydrophobicContact CD1-CG 3.72Å; I91-L198 HydrophobicContact CG1-CD2 3.65Å; I91-L198 HydrophobicContact CG1-CG 4.43Å; I91-T201 HydrophobicContact CG2-CG2 3.8Å; I91-Y202 HydrophobicContact CG2-CE2 4.25Å
92	N	97.9	Very high	96.3	Very high	103 Å²	103	61.4 Å²	61.4	55%	0.551	34%	0.339	S	S	*	.	H	α-helix	trans	-65.6	-36	178.8	-54.4	-32.7	0	0	0	111.7	R89 W90 T94 K197	R89-N92 WeakPolarHBondContact O-CB 3.46Å; R89-N92 PolarHBondContact O-N 3.45Å; W90-N92 VanDerWaalsContact C-N 3.35Å; N92-T94 PolarHBondContact O-N 3.44Å; N92-K197 PolarHBondContact OD1-NZ 2.9Å
93	E	98.4	Very high	95.8	Very high	91 Å²	91	64.1 Å²	64.1	43%	0.425	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-9.3	177.1	-65.9	172.2	-173.7	0	0	113.8	R89 W90 I91 P95 K114	R89-E93 WeakPolarHBondContact CG-OE1 3.15Å; R89-E93 IonicContact CZ-OE1 3.62Å; R89-E93 IonicContact NE-OE1 3.95Å; R89-E93 IonicContact NH1-OE1 2.69Å; R89-E93 PolarHBondContact NH1-OE1 3.46Å; R89-E93 IonicContact NH1-OE2 2.84Å; R89-E93 PolarHBondContact O-N 3.34Å; R89-E93 VanDerWaalsContact O-N 3.13Å; W90-E93 PolarHBondContact O-N 2.86Å; I91-E93 VanDerWaalsContact C-N 3.3Å; I91-E93 PolarHBondContact O-N 3.48Å; E93-P95 VanDerWaalsContact C-CD 3.46Å; E93-K114 IonicContact OE2-NZ 2.65Å; E93-K114 PolarHBondContact OE2-NZ 2.88Å; E93-K114 VanDerWaalsContact OE2-NZ 3.11Å
94	T	98.5	Very high	95.5	Very high	8 Å²	8	64.1 Å²	64.1	5%	0.049	34%	0.34	C	S	.	.	S	Bend	trans	-128.3	65.4	-175.7	-41.1	0	0	0	0	109	W90 I91 N92 A107 T110 W111 K114 Y202	W90-T94 VanDerWaalsContact O-CB 3.23Å; W90-T94 WeakPolarHBondContact O-CB 3.41Å; W90-T94 PolarHBondContact O-N 3.38Å; W90-T94 VanDerWaalsContact O-N 3.09Å; W90-T94 PolarHBondContact O-OG1 3.25Å; I91-T94 CarbonylContact O-C 3.57Å; I91-T94 PolarHBondContact O-N 3.15Å; I91-T94 VanDerWaalsContact O-N 3.16Å; N92-T94 PolarHBondContact O-N 3.44Å; T94-A107 HydrophobicContact CG2-CB 4.39Å; T94-A107 WeakPolarHBondContact CG2-O 3.4Å; T94-T110 HydrophobicContact CG2-CG2 3.69Å; T94-W111 HydrophobicContact CG2-CB 4.2Å; T94-K114 PolarHBondContact OG1-NZ 3.37Å; T94-Y202 VanDerWaalsContact O-CE1 3.32Å; T94-Y202 WeakPolarHBondContact O-CE1 3.34Å; T94-Y202 PolarHBondContact O-OH 2.8Å
95	P	98.1	Very high	95.5	Very high	83 Å²	83	64.4 Å²	64.4	54%	0.539	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-62.4	153.7	-175.6	27.5	-35.9	0	0	0	111.7	E93 V97 A107	E93-P95 VanDerWaalsContact C-CD 3.46Å; P95-V97 PolarHBondContact O-N 2.99Å; P95-A107 WeakPolarHBondContact O-CB 3.46Å
96	P	97.8	Very high	95.4	Very high	68 Å²	68	68.4 Å²	68.4	44%	0.442	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-55.1	137.6	174.3	-25.4	35.9	0	0	0	111.6	T201	P96-T201 HydrophobicContact CG-CG2 3.63Å; P96-T201 WeakPolarHBondContact CG-O 3.5Å
97	V	96.8	Very high	95.4	Very high	74 Å²	74	66.9 Å²	66.9	45%	0.448	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-94	150.6	176.2	-64.5	0	0	0	0	110.8	P95 Q99 N105 K106 A107	P95-V97 PolarHBondContact O-N 2.99Å; V97-Q99 PolarHBondContact O-N 2.77Å; V97-N105 PolarHBondContact N-OD1 3.26Å; V97-N105 VanDerWaalsContact N-OD1 3.15Å; V97-N105 PolarHBondContact O-ND2 2.98Å; V97-K106 HydrophobicContact CG2-CB 4.41Å; V97-A107 HydrophobicContact CG1-CB 4.35Å; V97-A107 HydrophobicContact CG2-CB 4.45Å
98	D	94.8	Very high	95.4	Very high	169 Å²	169	66.9 Å²	66.9	90%	0.904	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-64.3	134.2	168.2	-171.4	27.9	0	0	0	109.7
99	Q	93.4	Very high	95.3	Very high	28 Å²	28	70.6 Å²	70.6	13%	0.131	35%	0.354	C	S	.	.			trans	-153.5	146.6	-177.1	62.2	173.7	49	0	0	111	V97 S101 F103 G104	V97-Q99 PolarHBondContact O-N 2.77Å; Q99-S101 PolarHBondContact NE2-O 3.48Å; Q99-S101 PolarHBondContact O-N 3.32Å; Q99-F103 PolarHBondContact NE2-O 3.23Å; Q99-G104 PolarHBondContact NE2-O 2.98Å
100	P	86.6	Confident	95.3	Very high	139 Å²	139	69.3 Å²	69.3	90%	0.903	36%	0.359	S	S	*	.	S	Bend	trans	-70.5	-20.6	178	27.1	-34.2	0	0	0	113.1
101	S	86.8	Confident	95.3	Very high	46 Å²	46	68.4 Å²	68.4	32%	0.322	36%	0.355	S	S	.	.			trans	-78.4	130.3	-179.8	180	0	0	0	0	111.3	Q99 F103	Q99-S101 PolarHBondContact NE2-O 3.48Å; Q99-S101 PolarHBondContact O-N 3.32Å; S101-F103 VanDerWaalsContact C-N 3.28Å; S101-F103 PolarHBondContact OG-N 2.95Å
102	R	85.3	Confident	95.3	Very high	207 Å²	207	68.8 Å²	68.8	78%	0.781	36%	0.357	S	S	*	.	S	Bend	trans	-76	-13.7	172.6	68	-179	-180	-166.1	0.3	114.4
103	F	87.2	Confident	95.4	Very high	98 Å²	98	66 Å²	66	43%	0.43	35%	0.345	S	S	.	.	S	Bend	trans	-83.2	-166.1	179.5	-59.7	-73.3	0	0	0	111	Q99 S101 N105 E205	Q99-F103 PolarHBondContact NE2-O 3.23Å; S101-F103 VanDerWaalsContact C-N 3.28Å; S101-F103 PolarHBondContact OG-N 2.95Å; F103-N105 PolarHBondContact O-N 2.95Å; F103-E205 VanDerWaalsContact CD1-OE1 3.3Å; F103-E205 WeakPolarHBondContact CD1-OE1 3.5Å
104	G	93.8	Very high	95.4	Very high	5 Å²	5	64.3 Å²	64.3	5%	0.052	34%	0.337	C	S	.	.	S	Bend	trans	-42.5	136.5	-175.9	0	0	0	0	0	114.9	Q99 R203	Q99-G104 PolarHBondContact NE2-O 2.98Å; G104-R203 WeakPolarHBondContact CA-O 3.21Å
105	N	97.8	Very high	95.4	Very high	7 Å²	7	64 Å²	64	4%	0.037	33%	0.334	C	S	.	.			trans	-77.4	126.9	-177.2	-166.9	-78.4	0	0	0	111.2	V97 F103 A107 Y108 Y202	V97-N105 PolarHBondContact N-OD1 3.26Å; V97-N105 VanDerWaalsContact N-OD1 3.15Å; V97-N105 PolarHBondContact O-ND2 2.98Å; F103-N105 PolarHBondContact O-N 2.95Å; N105-A107 PolarHBondContact O-N 3.07Å; N105-A107 VanDerWaalsContact O-N 3.1Å; N105-A107 WeakPolarHBondContact OD1-CB 3.36Å; N105-A107 PolarHBondContact OD1-N 3.24Å; N105-Y108 WeakPolarHBondContact O-CB 3.17Å; N105-Y108 PolarHBondContact O-N 3.38Å; N105-Y202 HydrophobicContact CB-CD1 4.32Å; N105-Y202 PolarHBondContact N-O 3.17Å
106	K	97.2	Very high	95.4	Very high	111 Å²	111	65 Å²	65	48%	0.483	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.2	-175.4	-70.2	177.7	-178.5	178.5	0	114	V97 Y108 R109	V97-K106 HydrophobicContact CG2-CB 4.41Å; K106-Y108 PolarHBondContact O-N 3.04Å; K106-Y108 VanDerWaalsContact O-N 3.17Å; K106-R109 WeakPolarHBondContact O-CB 3.48Å; K106-R109 PolarHBondContact O-N 2.84Å
107	A	98.3	Very high	95.4	Very high	1 Å²	1	68.6 Å²	68.6	1%	0.008	34%	0.343	C	S	.	.	H	α-helix	trans	-58.5	-24.7	173.4	0	0	0	0	0	112.6	T94 P95 V97 N105 R109 T110 W111 Y202	T94-A107 HydrophobicContact CG2-CB 4.39Å; T94-A107 WeakPolarHBondContact CG2-O 3.4Å; P95-A107 WeakPolarHBondContact O-CB 3.46Å; V97-A107 HydrophobicContact CG1-CB 4.35Å; V97-A107 HydrophobicContact CG2-CB 4.45Å; N105-A107 PolarHBondContact O-N 3.07Å; N105-A107 VanDerWaalsContact O-N 3.1Å; N105-A107 WeakPolarHBondContact OD1-CB 3.36Å; N105-A107 PolarHBondContact OD1-N 3.24Å; A107-R109 PolarHBondContact O-N 3.19Å; A107-T110 WeakPolarHBondContact O-CB 3.33Å; A107-T110 PolarHBondContact O-N 3.34Å; A107-T110 VanDerWaalsContact O-N 3.08Å; A107-W111 PolarHBondContact O-N 3.42Å; A107-Y202 HydrophobicContact CB-CD1 4.03Å; A107-Y202 HydrophobicContact CB-CE1 3.67Å
108	Y	98.7	Very high	95.5	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-55.9	-35.3	171.7	178.6	-109.4	0	0	0	112.6	N105 K106 T110 W111 F112 V146 G147 P149 I152 L198 Y202 M204	N105-Y108 WeakPolarHBondContact O-CB 3.17Å; N105-Y108 PolarHBondContact O-N 3.38Å; K106-Y108 PolarHBondContact O-N 3.04Å; K106-Y108 VanDerWaalsContact O-N 3.17Å; Y108-T110 VanDerWaalsContact C-N 3.33Å; Y108-T110 PolarHBondContact O-N 3.24Å; Y108-W111 AromaticContact CD2-CE3 3.93Å; Y108-W111 HydrophobicContact CD2-CE3 3.93Å; Y108-W111 HydrophobicContact CD2-CZ3 4.46Å; Y108-W111 AromaticContact CE2-CE3 3.55Å; Y108-W111 HydrophobicContact CE2-CE3 3.55Å; Y108-W111 AromaticContact CE2-CZ3 3.65Å; Y108-W111 HydrophobicContact CE2-CZ3 3.65Å; Y108-W111 PolarHBondContact O-N 2.91Å; Y108-F112 HydrophobicContact CE1-CB 4.45Å; Y108-F112 HydrophobicContact CE1-CD2 4.37Å; Y108-F112 AromaticContact CZ-CD2 3.99Å; Y108-F112 WeakPolarHBondContact O-CB 3.36Å; Y108-F112 PolarHBondContact O-N 3.48Å; Y108-F112 WeakPolarHBondContact OH-CD2 3.45Å; Y108-V146 PolarHBondContact OH-O 3.25Å; Y108-G147 VanDerWaalsContact OH-C 3.32Å; Y108-G147 WeakPolarHBondContact OH-CA 3.5Å; Y108-G147 PolarHBondContact OH-O 2.92Å; Y108-P149 HydrophobicContact CE1-CB 4.4Å; Y108-I152 HydrophobicContact CD1-CB 4.36Å; Y108-I152 HydrophobicContact CD1-CG1 4.28Å; Y108-I152 HydrophobicContact CD1-CG2 3.87Å; Y108-I152 HydrophobicContact CG-CG2 4.04Å; Y108-L198 HydrophobicContact CE2-CD2 4.48Å; Y108-Y202 AromaticContact CD2-CD2 3.69Å; Y108-Y202 HydrophobicContact CD2-CD2 3.69Å; Y108-Y202 HydrophobicContact CD2-CE2 4.22Å; Y108-Y202 HydrophobicContact CD2-CG 4.31Å; Y108-Y202 HydrophobicContact CG-CD2 4.32Å; Y108-M204 HydrophobicContact CD2-CE 4.22Å; Y108-M204 HydrophobicContact CD2-SD 4.26Å; Y108-M204 HydrophobicContact CE1-CE 4Å; Y108-M204 HydrophobicContact CE2-CE 3.67Å; Y108-M204 HydrophobicContact CE2-SD 4.04Å
109	R	98.4	Very high	95.6	Very high	109 Å²	109	61.1 Å²	61.1	41%	0.411	30%	0.298	S	S	.	.	H	α-helix	trans	-66.4	-38.3	178.2	-63.9	179.4	-179.4	169.4	1.6	111.7	K106 A107 F112 S113 P149 T150	K106-R109 WeakPolarHBondContact O-CB 3.48Å; K106-R109 PolarHBondContact O-N 2.84Å; A107-R109 PolarHBondContact O-N 3.19Å; R109-F112 PolarHBondContact O-N 3.07Å; R109-S113 WeakPolarHBondContact O-CB 3.17Å; R109-S113 PolarHBondContact O-N 3.14Å; R109-P149 VanDerWaalsContact CG-O 3.22Å; R109-P149 WeakPolarHBondContact CG-O 3.44Å; R109-P149 PolarHBondContact NE-O 2.95Å; R109-T150 PolarHBondContact NH2-O 2.85Å
110	T	98.6	Very high	95.9	Very high	85 Å²	85	64.2 Å²	64.2	52%	0.521	31%	0.312	S	S	.	.	H	α-helix	trans	-65.5	-43.3	174.6	-55	0	0	0	0	110.7	T94 A107 Y108 S113 K114	T94-T110 HydrophobicContact CG2-CG2 3.69Å; A107-T110 WeakPolarHBondContact O-CB 3.33Å; A107-T110 PolarHBondContact O-N 3.34Å; A107-T110 VanDerWaalsContact O-N 3.08Å; Y108-T110 VanDerWaalsContact C-N 3.33Å; Y108-T110 PolarHBondContact O-N 3.24Å; T110-S113 PolarHBondContact O-N 2.97Å; T110-K114 PolarHBondContact O-N 3.42Å
111	W	98.8	Very high	96.4	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-46.3	175.2	176.4	91.5	0	0	0	111.5	L87 W90 T94 A107 Y108 S113 K114 L115 V146 L198 Y202	L87-W111 HydrophobicContact CB-CZ2 4.16Å; L87-W111 PolarHBondContact O-NE1 3.28Å; W90-W111 VanDerWaalsContact C-CD1 3.5Å; T94-W111 HydrophobicContact CG2-CB 4.2Å; A107-W111 PolarHBondContact O-N 3.42Å; Y108-W111 AromaticContact CD2-CE3 3.93Å; Y108-W111 HydrophobicContact CD2-CE3 3.93Å; Y108-W111 HydrophobicContact CD2-CZ3 4.46Å; Y108-W111 AromaticContact CE2-CE3 3.55Å; Y108-W111 HydrophobicContact CE2-CE3 3.55Å; Y108-W111 AromaticContact CE2-CZ3 3.65Å; Y108-W111 HydrophobicContact CE2-CZ3 3.65Å; Y108-W111 PolarHBondContact O-N 2.91Å; W111-S113 VanDerWaalsContact C-N 3.34Å; W111-S113 PolarHBondContact O-N 2.82Å; W111-K114 WeakPolarHBondContact O-CB 3.44Å; W111-K114 PolarHBondContact O-N 3.45Å; W111-L115 HydrophobicContact CH2-CD2 4.31Å; W111-L115 HydrophobicContact CZ3-CD2 4.47Å; W111-L115 PolarHBondContact O-N 2.68Å; W111-V146 HydrophobicContact CH2-CB 3.79Å; W111-V146 HydrophobicContact CH2-CG1 4.05Å; W111-V146 HydrophobicContact CH2-CG2 3.79Å; W111-V146 HydrophobicContact CZ3-CB 4Å; W111-V146 HydrophobicContact CZ3-CG2 3.64Å; W111-L198 HydrophobicContact CD2-CD2 3.88Å; W111-L198 HydrophobicContact CE3-CD2 4.1Å; W111-L198 HydrophobicContact CG-CD2 4.46Å; W111-L198 HydrophobicContact CH2-CD1 3.61Å; W111-L198 HydrophobicContact CH2-CD2 4.16Å; W111-L198 HydrophobicContact CZ2-CD1 3.91Å; W111-L198 HydrophobicContact CZ2-CD2 3.92Å; W111-L198 HydrophobicContact CZ2-CG 4.47Å; W111-L198 HydrophobicContact CZ3-CD1 4.02Å; W111-L198 HydrophobicContact CZ3-CD2 4.23Å; W111-Y202 HydrophobicContact CB-CE2 4.12Å; W111-Y202 HydrophobicContact CG-CE2 4.15Å
112	F	98.8	Very high	97	Very high	12 Å²	12	59.3 Å²	59.3	5%	0.053	28%	0.282	C	S	.	.	H	α-helix	trans	-65.5	-36.4	180	-169.2	-89	0	0	0	112.1	Y108 R109 K114 L115 E116 K143 V146 P149	Y108-F112 HydrophobicContact CE1-CB 4.45Å; Y108-F112 HydrophobicContact CE1-CD2 4.37Å; Y108-F112 AromaticContact CZ-CD2 3.99Å; Y108-F112 WeakPolarHBondContact O-CB 3.36Å; Y108-F112 PolarHBondContact O-N 3.48Å; Y108-F112 WeakPolarHBondContact OH-CD2 3.45Å; R109-F112 PolarHBondContact O-N 3.07Å; F112-K114 VanDerWaalsContact C-N 3.29Å; F112-K114 PolarHBondContact O-N 3.19Å; F112-L115 HydrophobicContact CE2-CD2 4.46Å; F112-L115 CarbonylContact O-C 3.58Å; F112-L115 WeakPolarHBondContact O-CA 3.48Å; F112-L115 WeakPolarHBondContact O-CB 3.42Å; F112-L115 PolarHBondContact O-N 3.08Å; F112-E116 HydrophobicContact CD1-CG 3.72Å; F112-E116 VanDerWaalsContact CE1-CD 3.48Å; F112-E116 HydrophobicContact CE1-CG 3.43Å; F112-E116 VanDerWaalsContact CE1-CG 3.43Å; F112-E116 WeakPolarHBondContact CE1-OE1 3.47Å; F112-E116 HydrophobicContact CZ-CG 4.37Å; F112-E116 PolarHBondContact O-N 3.26Å; F112-K143 WeakPolarHBondContact CE2-O 3.1Å; F112-V146 HydrophobicContact CD2-CG2 3.8Å; F112-V146 HydrophobicContact CE2-CG2 3.63Å; F112-P149 HydrophobicContact CB-CB 4.14Å; F112-P149 HydrophobicContact CD1-CB 3.7Å; F112-P149 HydrophobicContact CD1-CG 3.62Å; F112-P149 HydrophobicContact CD2-CB 4.49Å; F112-P149 HydrophobicContact CE1-CB 4.21Å; F112-P149 HydrophobicContact CE1-CG 3.6Å; F112-P149 HydrophobicContact CG-CB 3.86Å; F112-P149 HydrophobicContact CG-CG 4.14Å; F112-P149 HydrophobicContact CZ-CG 4.12Å
113	S	98.7	Very high	97.6	Very high	44 Å²	44	49.4 Å²	49.4	31%	0.308	25%	0.245	S	C	.	.	H	α-helix	trans	-62.9	-34.6	176.7	-169.8	0	0	0	0	112.5	R109 T110 W111 E116 Q117	R109-S113 WeakPolarHBondContact O-CB 3.17Å; R109-S113 PolarHBondContact O-N 3.14Å; T110-S113 PolarHBondContact O-N 2.97Å; W111-S113 VanDerWaalsContact C-N 3.34Å; W111-S113 PolarHBondContact O-N 2.82Å; S113-E116 PolarHBondContact O-N 3.46Å; S113-Q117 VanDerWaalsContact O-CG 3.31Å; S113-Q117 WeakPolarHBondContact O-CG 3.48Å; S113-Q117 PolarHBondContact O-N 3.1Å; S113-Q117 PolarHBondContact OG-NE2 3.48Å
114	K	98.6	Very high	98.2	Very high	57 Å²	57	46.6 Å²	46.6	25%	0.248	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-45.9	170.4	-67.4	-179.9	172.8	178.8	0	110.8	W90 E93 T94 T110 W111 F112 E116 Q117 E118	W90-K114 HydrophobicContact CB-CD 4.2Å; W90-K114 HydrophobicContact CD2-CB 4.08Å; W90-K114 HydrophobicContact CD2-CD 4.11Å; W90-K114 HydrophobicContact CE3-CB 3.89Å; W90-K114 HydrophobicContact CG-CD 3.89Å; W90-K114 HydrophobicContact CH2-CB 4.5Å; W90-K114 HydrophobicContact CZ3-CB 4.11Å; E93-K114 IonicContact OE2-NZ 2.65Å; E93-K114 PolarHBondContact OE2-NZ 2.88Å; E93-K114 VanDerWaalsContact OE2-NZ 3.11Å; T94-K114 PolarHBondContact OG1-NZ 3.37Å; T110-K114 PolarHBondContact O-N 3.42Å; W111-K114 WeakPolarHBondContact O-CB 3.44Å; W111-K114 PolarHBondContact O-N 3.45Å; F112-K114 VanDerWaalsContact C-N 3.29Å; F112-K114 PolarHBondContact O-N 3.19Å; K114-E116 PolarHBondContact O-N 2.94Å; K114-Q117 PolarHBondContact O-N 3.31Å; K114-E118 WeakPolarHBondContact O-CB 3.46Å; K114-E118 WeakPolarHBondContact O-CG 3.36Å; K114-E118 PolarHBondContact O-N 3.06Å
115	L	98.6	Very high	98.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.3	-43.8	175.8	173.7	64.5	0	0	0	112	L87 W90 W111 F112 Q117 E118 A119 L142 K143 V146	L87-L115 HydrophobicContact CD2-CD1 3.83Å; W90-L115 HydrophobicContact CZ3-CB 4.26Å; W111-L115 HydrophobicContact CH2-CD2 4.31Å; W111-L115 HydrophobicContact CZ3-CD2 4.47Å; W111-L115 PolarHBondContact O-N 2.68Å; F112-L115 HydrophobicContact CE2-CD2 4.46Å; F112-L115 CarbonylContact O-C 3.58Å; F112-L115 WeakPolarHBondContact O-CA 3.48Å; F112-L115 WeakPolarHBondContact O-CB 3.42Å; F112-L115 PolarHBondContact O-N 3.08Å; L115-Q117 VanDerWaalsContact C-N 3.26Å; L115-Q117 PolarHBondContact O-N 3.11Å; L115-E118 PolarHBondContact O-N 3.35Å; L115-A119 HydrophobicContact CD1-CB 4.03Å; L115-A119 WeakPolarHBondContact O-CA 3.44Å; L115-A119 WeakPolarHBondContact O-CB 3.46Å; L115-A119 PolarHBondContact O-N 3.26Å; L115-L142 HydrophobicContact CD1-CD2 4.21Å; L115-L142 HydrophobicContact CD1-CG 4.23Å; L115-K143 HydrophobicContact CG-CG 4.44Å; L115-V146 HydrophobicContact CD2-CB 4.42Å; L115-V146 HydrophobicContact CD2-CG1 4.22Å; L115-V146 HydrophobicContact CD2-CG2 3.39Å
116	E	97.8	Very high	98.4	Very high	106 Å²	106	49.3 Å²	49.3	50%	0.495	26%	0.262	S	S	.	.	H	α-helix	trans	-59	-38.3	178.8	-77.7	-174.6	133.9	0	0	113	F112 S113 K114 K143	F112-E116 HydrophobicContact CD1-CG 3.72Å; F112-E116 VanDerWaalsContact CE1-CD 3.48Å; F112-E116 HydrophobicContact CE1-CG 3.43Å; F112-E116 VanDerWaalsContact CE1-CG 3.43Å; F112-E116 WeakPolarHBondContact CE1-OE1 3.47Å; F112-E116 HydrophobicContact CZ-CG 4.37Å; F112-E116 PolarHBondContact O-N 3.26Å; S113-E116 PolarHBondContact O-N 3.46Å; K114-E116 PolarHBondContact O-N 2.94Å; E116-K143 HydrophobicContact CG-CD 4.49Å
117	Q	98.3	Very high	98.4	Very high	142 Å²	142	44.3 Å²	44.3	66%	0.664	24%	0.241	S	C	*	.	H	α-helix	trans	-75.2	-35.8	-179.4	-68	169.1	28.9	0	0	112.4	S113 K114 L115	S113-Q117 VanDerWaalsContact O-CG 3.31Å; S113-Q117 WeakPolarHBondContact O-CG 3.48Å; S113-Q117 PolarHBondContact O-N 3.1Å; S113-Q117 PolarHBondContact OG-NE2 3.48Å; K114-Q117 PolarHBondContact O-N 3.31Å; L115-Q117 VanDerWaalsContact C-N 3.26Å; L115-Q117 PolarHBondContact O-N 3.11Å
118	E	98.6	Very high	98.2	Very high	87 Å²	87	46 Å²	46	41%	0.407	25%	0.251	S	S	.	.	H	α-helix	trans	-105.7	-10.2	-168.1	-63.8	-65.4	156.5	0	0	114	W90 K114 L115 E120 A121 L122	W90-E118 HydrophobicContact CH2-CB 3.53Å; W90-E118 HydrophobicContact CH2-CG 3.84Å; W90-E118 HydrophobicContact CZ2-CB 4.12Å; W90-E118 HydrophobicContact CZ2-CG 3.98Å; K114-E118 WeakPolarHBondContact O-CB 3.46Å; K114-E118 WeakPolarHBondContact O-CG 3.36Å; K114-E118 PolarHBondContact O-N 3.06Å; L115-E118 PolarHBondContact O-N 3.35Å; E118-E120 VanDerWaalsContact C-N 3.31Å; E118-E120 PolarHBondContact O-N 3.16Å; E118-A121 PolarHBondContact O-N 2.91Å; E118-A121 VanDerWaalsContact O-N 3.14Å; E118-L122 HydrophobicContact CB-CD1 4.38Å; E118-L122 HydrophobicContact CB-CG 4.44Å; E118-L122 WeakPolarHBondContact O-CG 3.35Å; E118-L122 PolarHBondContact O-N 3.06Å
119	A	98.4	Very high	97.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-55.6	-42.3	-172.4	0	0	0	0	0	113.3	L115 L122 V123 A139 L142 K143	L115-A119 HydrophobicContact CD1-CB 4.03Å; L115-A119 WeakPolarHBondContact O-CA 3.44Å; L115-A119 WeakPolarHBondContact O-CB 3.46Å; L115-A119 PolarHBondContact O-N 3.26Å; A119-L122 PolarHBondContact O-N 3.46Å; A119-V123 WeakPolarHBondContact O-CB 3.46Å; A119-V123 VanDerWaalsContact O-CG2 3.29Å; A119-V123 WeakPolarHBondContact O-CG2 3.48Å; A119-V123 PolarHBondContact O-N 3.4Å; A119-A139 HydrophobicContact CB-CB 4.13Å; A119-L142 HydrophobicContact CB-CD2 4.48Å; A119-K143 HydrophobicContact CB-CD 3.96Å; A119-K143 HydrophobicContact CB-CG 3.64Å
120	E	98.3	Very high	97.6	Very high	93 Å²	93	52.2 Å²	52.2	44%	0.435	30%	0.301	S	S	.	.	H	α-helix	trans	-65.8	-43.1	179.6	-68.6	-175	-153.5	0	0	111.9	E118 V123 A124 A139	E118-E120 VanDerWaalsContact C-N 3.31Å; E118-E120 PolarHBondContact O-N 3.16Å; E120-V123 PolarHBondContact O-N 3.33Å; E120-A124 VanDerWaalsContact O-CB 3.29Å; E120-A124 WeakPolarHBondContact O-CB 3.29Å; E120-A124 PolarHBondContact O-N 3.35Å; E120-A139 HydrophobicContact CB-CB 4.4Å; E120-A139 HydrophobicContact CG-CB 3.74Å
121	A	98.4	Very high	97.4	Very high	56 Å²	56	50.8 Å²	50.8	46%	0.463	29%	0.287	S	S	.	.	H	α-helix	trans	-65.4	-42.1	177.1	0	0	0	0	0	111.7	E118 V123 A124 A125	E118-A121 PolarHBondContact O-N 2.91Å; E118-A121 VanDerWaalsContact O-N 3.14Å; A121-V123 PolarHBondContact O-N 3.4Å; A121-A124 PolarHBondContact O-N 3.14Å; A121-A125 WeakPolarHBondContact O-CB 3.46Å; A121-A125 PolarHBondContact O-N 3.39Å
122	L	98.6	Very high	97.2	Very high	25 Å²	25	52.9 Å²	52.9	13%	0.131	31%	0.305	C	S	.	.	H	α-helix	trans	-59.6	-45.5	175.1	-74.5	175.9	0	0	0	111.8	L83 T86 L87 W90 E118 A119 A125 V126	L83-L122 HydrophobicContact CD1-CB 3.9Å; L83-L122 HydrophobicContact CG-CB 4.08Å; L83-L122 HydrophobicContact CG-CD1 4.44Å; L83-L122 HydrophobicContact CG-CD2 4.45Å; T86-L122 HydrophobicContact CG2-CD2 4.1Å; L87-L122 HydrophobicContact CD2-CD1 4.03Å; W90-L122 HydrophobicContact CH2-CD1 3.73Å; W90-L122 HydrophobicContact CZ3-CD1 4.17Å; E118-L122 HydrophobicContact CB-CD1 4.38Å; E118-L122 HydrophobicContact CB-CG 4.44Å; E118-L122 WeakPolarHBondContact O-CG 3.35Å; E118-L122 PolarHBondContact O-N 3.06Å; A119-L122 PolarHBondContact O-N 3.46Å; L122-A125 PolarHBondContact O-N 3.16Å; L122-V126 PolarHBondContact O-N 3.22Å
123	V	98.7	Very high	97	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-69.7	-41.2	178.7	172.2	0	0	0	0	111.5	A119 E120 A121 A125 V126 L127 A135 I138 A139 L142 F165	A119-V123 WeakPolarHBondContact O-CB 3.46Å; A119-V123 VanDerWaalsContact O-CG2 3.29Å; A119-V123 WeakPolarHBondContact O-CG2 3.48Å; A119-V123 PolarHBondContact O-N 3.4Å; E120-V123 PolarHBondContact O-N 3.33Å; A121-V123 PolarHBondContact O-N 3.4Å; V123-A125 PolarHBondContact O-N 3.35Å; V123-V126 WeakPolarHBondContact O-CB 3.38Å; V123-V126 PolarHBondContact O-N 3.06Å; V123-L127 HydrophobicContact CG1-CD1 3.93Å; V123-L127 HydrophobicContact CG1-CG 4.37Å; V123-L127 WeakPolarHBondContact O-CG 3.49Å; V123-L127 PolarHBondContact O-N 3.16Å; V123-L127 VanDerWaalsContact O-N 3.11Å; V123-A135 HydrophobicContact CG1-CB 4.14Å; V123-I138 HydrophobicContact CG1-CB 3.86Å; V123-I138 HydrophobicContact CG1-CG2 3.64Å; V123-A139 HydrophobicContact CB-CB 4.35Å; V123-A139 HydrophobicContact CG2-CB 4.04Å; V123-L142 HydrophobicContact CG2-CB 4.48Å; V123-L142 HydrophobicContact CG2-CD2 3.8Å; V123-F165 HydrophobicContact CG2-CE2 3.79Å
124	A	98.1	Very high	96.9	Very high	39 Å²	39	53.7 Å²	53.7	32%	0.322	32%	0.316	S	S	.	.	H	α-helix	trans	-59.1	-36.3	175.8	0	0	0	0	0	112.1	E120 A121 V126 L127 A135	E120-A124 VanDerWaalsContact O-CB 3.29Å; E120-A124 WeakPolarHBondContact O-CB 3.29Å; E120-A124 PolarHBondContact O-N 3.35Å; A121-A124 PolarHBondContact O-N 3.14Å; A124-V126 VanDerWaalsContact C-N 3.29Å; A124-V126 PolarHBondContact O-N 3.3Å; A124-L127 PolarHBondContact O-N 2.86Å; A124-A135 HydrophobicContact CB-CB 3.97Å
125	A	98	Very high	96.9	Very high	66 Å²	66	51.2 Å²	51.2	55%	0.545	31%	0.306	S	S	.	.	H	α-helix	trans	-69	-25.1	176.4	0	0	0	0	0	113.8	K79 A121 L122 V123	K79-A125 WeakPolarHBondContact CD-O 3.18Å; A121-A125 WeakPolarHBondContact O-CB 3.46Å; A121-A125 PolarHBondContact O-N 3.39Å; L122-A125 PolarHBondContact O-N 3.16Å; V123-A125 PolarHBondContact O-N 3.35Å
126	V	98.2	Very high	96.9	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.012	32%	0.319	C	S	.	.	H	α-helix	trans	-78.5	-36.9	174.3	172.4	0	0	0	0	111.4	T76 K79 L80 L83 L122 V123 A124 L169	T76-V126 HydrophobicContact CG2-CG1 3.91Å; K79-V126 HydrophobicContact CB-CB 4.42Å; K79-V126 HydrophobicContact CB-CG2 4.1Å; L80-V126 HydrophobicContact CD2-CG1 3.84Å; L80-V126 HydrophobicContact CD2-CG2 4.16Å; L80-V126 HydrophobicContact CG-CG1 3.78Å; L80-V126 HydrophobicContact CG-CG2 4.42Å; L83-V126 HydrophobicContact CB-CG2 4.25Å; L83-V126 HydrophobicContact CD1-CG2 3.79Å; L122-V126 PolarHBondContact O-N 3.22Å; V123-V126 WeakPolarHBondContact O-CB 3.38Å; V123-V126 PolarHBondContact O-N 3.06Å; A124-V126 VanDerWaalsContact C-N 3.29Å; A124-V126 PolarHBondContact O-N 3.3Å; V126-L169 HydrophobicContact CG1-CD1 4.45Å; V126-L169 HydrophobicContact CG1-CD2 4.4Å
127	L	97.4	Very high	96.9	Very high	7 Å²	7	48.2 Å²	48.2	4%	0.037	30%	0.296	C	S	.	.	S	Bend	trans	-72.7	145.1	-175.2	-70.7	168.7	0	0	0	112.2	V123 A124 K131 A134 A135 I138 L169 V172 A174	V123-L127 HydrophobicContact CG1-CD1 3.93Å; V123-L127 HydrophobicContact CG1-CG 4.37Å; V123-L127 WeakPolarHBondContact O-CG 3.49Å; V123-L127 PolarHBondContact O-N 3.16Å; V123-L127 VanDerWaalsContact O-N 3.11Å; A124-L127 PolarHBondContact O-N 2.86Å; L127-K131 HydrophobicContact CB-CB 4.45Å; L127-K131 HydrophobicContact CD2-CB 4.27Å; L127-A134 HydrophobicContact CD1-CB 4.34Å; L127-A135 HydrophobicContact CD1-CB 3.9Å; L127-I138 HydrophobicContact CD1-CD1 4.4Å; L127-I138 HydrophobicContact CD2-CD1 4.24Å; L127-L169 HydrophobicContact CD2-CD2 3.63Å; L127-L169 HydrophobicContact CG-CD2 4.37Å; L127-V172 HydrophobicContact CD2-CG2 3.88Å; L127-A174 HydrophobicContact CD2-CB 3.86Å
128	P	94.1	Very high	96.9	Very high	35 Å²	35	41.5 Å²	41.5	23%	0.227	27%	0.265	C	S	.	.			trans	-56	148.2	160.3	-22.9	34.2	0	0	0	111	E130 K131 A132 A174	P128-E130 VanDerWaalsContact CB-CD 3.44Å; P128-E130 HydrophobicContact CB-CG 4.46Å; P128-E130 VanDerWaalsContact CB-OE1 3.29Å; P128-E130 WeakPolarHBondContact CB-OE1 3.48Å; P128-E130 WeakPolarHBondContact CB-OE2 3.47Å; P128-E130 PolarHBondContact O-N 3.23Å; P128-K131 HydrophobicContact CB-CG 4.4Å; P128-K131 WeakPolarHBondContact O-CA 3.45Å; P128-K131 PolarHBondContact O-N 2.86Å; P128-A132 PolarHBondContact O-N 3.44Å; P128-A174 HydrophobicContact CG-CB 4.46Å
129	A	92.3	Very high	97	Very high	90 Å²	90	37.3 Å²	37.3	74%	0.744	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-57.5	-38.2	-172.8	0	0	0	0	0	112.5	K131 A132	A129-K131 PolarHBondContact O-N 2.62Å; A129-A132 WeakPolarHBondContact O-CB 3.45Å; A129-A132 PolarHBondContact O-N 3.08Å
130	E	93.2	Very high	97	Very high	150 Å²	150	38.1 Å²	38.1	70%	0.701	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-67.6	-13.2	177.4	68.7	-82.4	-166.2	0	0	114	P128	P128-E130 VanDerWaalsContact CB-CD 3.44Å; P128-E130 HydrophobicContact CB-CG 4.46Å; P128-E130 VanDerWaalsContact CB-OE1 3.29Å; P128-E130 WeakPolarHBondContact CB-OE1 3.48Å; P128-E130 WeakPolarHBondContact CB-OE2 3.47Å; P128-E130 PolarHBondContact O-N 3.23Å
131	K	93.9	Very high	97	Very high	55 Å²	55	33.9 Å²	33.9	24%	0.239	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-107.6	2.7	177.7	-55.2	-58.8	179.8	158.3	0	113.2	L127 P128 A129 A133 A134 V172	L127-K131 HydrophobicContact CB-CB 4.45Å; L127-K131 HydrophobicContact CD2-CB 4.27Å; P128-K131 HydrophobicContact CB-CG 4.4Å; P128-K131 WeakPolarHBondContact O-CA 3.45Å; P128-K131 PolarHBondContact O-N 2.86Å; A129-K131 PolarHBondContact O-N 2.62Å; K131-A133 PolarHBondContact O-N 2.68Å; K131-A134 WeakPolarHBondContact O-CB 3.28Å; K131-A134 PolarHBondContact O-N 2.87Å; K131-V172 WeakPolarHBondContact CD-O 3.36Å; K131-V172 WeakPolarHBondContact CE-O 3.41Å; K131-V172 PolarHBondContact NZ-O 3.35Å; K131-V172 VanDerWaalsContact NZ-O 3.13Å
132	A	93.2	Very high	97	Very high	45 Å²	45	31.2 Å²	31.2	37%	0.372	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-56.1	-29.4	-175.2	0	0	0	0	0	113.9	P128 A129 A134 A135	P128-A132 PolarHBondContact O-N 3.44Å; A129-A132 WeakPolarHBondContact O-CB 3.45Å; A129-A132 PolarHBondContact O-N 3.08Å; A132-A134 PolarHBondContact O-N 3.34Å; A132-A134 VanDerWaalsContact O-N 3.13Å; A132-A135 VanDerWaalsContact O-CB 3.25Å; A132-A135 WeakPolarHBondContact O-CB 3.34Å; A132-A135 PolarHBondContact O-N 2.81Å
133	A	95.6	Very high	97	Very high	72 Å²	72	32.2 Å²	32.2	60%	0.595	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-61	-20.1	176.5	0	0	0	0	0	113.9	Y26 K131 A135 P136	Y26-A133 VanDerWaalsContact CD2-C 3.43Å; Y26-A133 HydrophobicContact CD2-CB 4.01Å; Y26-A133 WeakPolarHBondContact CD2-O 3.16Å; Y26-A133 HydrophobicContact CE2-CB 3.91Å; K131-A133 PolarHBondContact O-N 2.68Å; A133-A135 VanDerWaalsContact C-N 3.34Å; A133-P136 WeakPolarHBondContact O-CD 3.39Å
134	A	97.2	Very high	97	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-78.9	-16.7	176.2	0	0	0	0	0	113.3	Y26 L127 K131 A132 E137 I138 V172	Y26-A134 HydrophobicContact CD1-CB 4.05Å; Y26-A134 HydrophobicContact CD2-CB 4.3Å; Y26-A134 HydrophobicContact CE1-CB 3.57Å; Y26-A134 HydrophobicContact CE2-CB 3.86Å; Y26-A134 HydrophobicContact CG-CB 4.4Å; Y26-A134 VanDerWaalsContact CZ-CB 3.47Å; L127-A134 HydrophobicContact CD1-CB 4.34Å; K131-A134 WeakPolarHBondContact O-CB 3.28Å; K131-A134 PolarHBondContact O-N 2.87Å; A132-A134 PolarHBondContact O-N 3.34Å; A132-A134 VanDerWaalsContact O-N 3.13Å; A134-E137 PolarHBondContact O-N 3.39Å; A134-I138 HydrophobicContact CB-CD1 3.79Å; A134-I138 HydrophobicContact CB-CG1 4.29Å; A134-I138 WeakPolarHBondContact O-CG1 3.22Å; A134-I138 PolarHBondContact O-N 2.77Å; A134-V172 HydrophobicContact CB-CG1 3.96Å
135	A	98.1	Very high	97	Very high	5 Å²	5	32.9 Å²	32.9	4%	0.041	21%	0.208	C	C	.	.	H	α-helix	trans	-55.6	-44	-170.9	0	0	0	0	0	113.9	V123 A124 L127 A132 A133 E137 I138 A139	V123-A135 HydrophobicContact CG1-CB 4.14Å; A124-A135 HydrophobicContact CB-CB 3.97Å; L127-A135 HydrophobicContact CD1-CB 3.9Å; A132-A135 VanDerWaalsContact O-CB 3.25Å; A132-A135 WeakPolarHBondContact O-CB 3.34Å; A132-A135 PolarHBondContact O-N 2.81Å; A133-A135 VanDerWaalsContact C-N 3.34Å; A135-E137 VanDerWaalsContact C-N 3.33Å; A135-E137 PolarHBondContact O-N 2.59Å; A135-I138 PolarHBondContact O-N 3.37Å; A135-A139 WeakPolarHBondContact O-CB 3.18Å; A135-A139 PolarHBondContact O-N 3.47Å
136	P	98.3	Very high	97.1	Very high	43 Å²	43	29.8 Å²	29.8	28%	0.279	18%	0.182	S	C	.	.	H	α-helix	trans	-61.7	-39	-179.6	-24.5	36	0	0	0	113.2	I28 A133	I28-P136 HydrophobicContact CD1-CB 3.76Å; A133-P136 WeakPolarHBondContact O-CD 3.39Å
137	E	98.6	Very high	97.1	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-70.4	-47.8	177.3	169.7	161.2	179.3	0	0	111.2	Y26 I27 P29 A134 A135 A139 V140 Y141 G315 S316 L317	Y26-E137 WeakPolarHBondContact CA-OE2 3.39Å; I27-E137 PolarHBondContact N-OE2 3.46Å; I27-E137 WeakPolarHBondContact O-CG 3.33Å; I27-E137 VanDerWaalsContact O-OE2 3.06Å; P29-E137 HydrophobicContact CG-CG 3.73Å; A134-E137 PolarHBondContact O-N 3.39Å; A135-E137 VanDerWaalsContact C-N 3.33Å; A135-E137 PolarHBondContact O-N 2.59Å; E137-A139 VanDerWaalsContact C-N 3.34Å; E137-A139 PolarHBondContact O-N 2.99Å; E137-V140 PolarHBondContact O-N 3.49Å; E137-Y141 HydrophobicContact CG-CE2 4.34Å; E137-G315 WeakPolarHBondContact OE1-CA 3.15Å; E137-S316 PolarHBondContact OE1-N 2.84Å; E137-S316 PolarHBondContact OE1-OG 2.86Å; E137-S316 WeakPolarHBondContact OE2-CB 3.18Å; E137-S316 PolarHBondContact OE2-N 3.19Å; E137-S316 PolarHBondContact OE2-OG 3.01Å; E137-L317 HydrophobicContact CG-CD1 4.27Å; E137-L317 WeakPolarHBondContact OE1-CB 3.34Å; E137-L317 PolarHBondContact OE1-N 2.78Å
138	I	98.7	Very high	97.1	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.5	-37.8	-177.4	-64.2	-179.1	0	0	0	111.5	V123 L127 A134 A135 V140 Y141 L142 F165 C168 L169 V172 L317	V123-I138 HydrophobicContact CG1-CB 3.86Å; V123-I138 HydrophobicContact CG1-CG2 3.64Å; L127-I138 HydrophobicContact CD1-CD1 4.4Å; L127-I138 HydrophobicContact CD2-CD1 4.24Å; A134-I138 HydrophobicContact CB-CD1 3.79Å; A134-I138 HydrophobicContact CB-CG1 4.29Å; A134-I138 WeakPolarHBondContact O-CG1 3.22Å; A134-I138 PolarHBondContact O-N 2.77Å; A135-I138 PolarHBondContact O-N 3.37Å; I138-V140 PolarHBondContact O-N 3.37Å; I138-Y141 PolarHBondContact O-N 3.05Å; I138-Y141 VanDerWaalsContact O-N 3.11Å; I138-L142 PolarHBondContact O-N 2.94Å; I138-F165 HydrophobicContact CG2-CD2 3.49Å; I138-F165 VanDerWaalsContact CG2-CD2 3.49Å; I138-F165 HydrophobicContact CG2-CE2 3.58Å; I138-C168 HydrophobicContact CD1-CB 4.25Å; I138-C168 HydrophobicContact CG1-CB 3.93Å; I138-C168 HydrophobicContact CG2-CB 4.49Å; I138-L169 HydrophobicContact CD1-CD2 4.22Å; I138-L169 HydrophobicContact CG2-CD2 4.28Å; I138-L169 HydrophobicContact CG2-CG 4.46Å; I138-V172 HydrophobicContact CD1-CG1 4.12Å; I138-V172 HydrophobicContact CD1-CG2 4.1Å; I138-L317 HydrophobicContact CD1-CD1 4.06Å; I138-L317 HydrophobicContact CG1-CD1 3.69Å
139	A	98.8	Very high	97.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.6	-23.9	179.6	0	0	0	0	0	113.6	A119 E120 V123 A135 E137 L142 K143	A119-A139 HydrophobicContact CB-CB 4.13Å; E120-A139 HydrophobicContact CB-CB 4.4Å; E120-A139 HydrophobicContact CG-CB 3.74Å; V123-A139 HydrophobicContact CB-CB 4.35Å; V123-A139 HydrophobicContact CG2-CB 4.04Å; A135-A139 WeakPolarHBondContact O-CB 3.18Å; A135-A139 PolarHBondContact O-N 3.47Å; E137-A139 VanDerWaalsContact C-N 3.34Å; E137-A139 PolarHBondContact O-N 2.99Å; A139-L142 PolarHBondContact O-N 3.08Å; A139-K143 WeakPolarHBondContact O-CE 3.37Å; A139-K143 WeakPolarHBondContact O-CG 3.33Å; A139-K143 PolarHBondContact O-N 2.86Å
140	V	98.8	Very high	97.5	Very high	16 Å²	16	31.3 Å²	31.3	10%	0.097	18%	0.181	C	C	.	.	H	α-helix	trans	-63.8	-42.5	173.7	174.1	0	0	0	0	111	I28 P29 E137 I138 L142 K143 E144 K313	I28-V140 HydrophobicContact CG2-CG2 4.3Å; P29-V140 HydrophobicContact CB-CB 4.34Å; P29-V140 HydrophobicContact CB-CG1 3.99Å; P29-V140 HydrophobicContact CG-CB 4.04Å; P29-V140 HydrophobicContact CG-CG1 4.24Å; P29-V140 HydrophobicContact CG-CG2 4.49Å; E137-V140 PolarHBondContact O-N 3.49Å; I138-V140 PolarHBondContact O-N 3.37Å; V140-L142 VanDerWaalsContact C-N 3.33Å; V140-L142 PolarHBondContact O-N 3.29Å; V140-K143 PolarHBondContact O-N 3.15Å; V140-E144 HydrophobicContact CG1-CG 4.42Å; V140-E144 WeakPolarHBondContact O-CG 3.18Å; V140-E144 PolarHBondContact O-N 3.17Å; V140-K313 HydrophobicContact CG1-CB 4.42Å; V140-K313 HydrophobicContact CG1-CG 4.15Å
141	Y	98.8	Very high	97.6	Very high	4 Å²	4	29 Å²	29	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-65.8	-36.6	177.6	-57.9	-77.4	0	0	0	112	P29 E137 I138 E144 A145 A164 C168 K313 L318	P29-Y141 HydrophobicContact CB-CE2 4.47Å; P29-Y141 HydrophobicContact CG-CE2 3.7Å; E137-Y141 HydrophobicContact CG-CE2 4.34Å; I138-Y141 PolarHBondContact O-N 3.05Å; I138-Y141 VanDerWaalsContact O-N 3.11Å; Y141-E144 PolarHBondContact O-N 2.77Å; Y141-A145 VanDerWaalsContact O-CB 3.28Å; Y141-A145 WeakPolarHBondContact O-CB 3.11Å; Y141-A145 PolarHBondContact O-N 2.84Å; Y141-A145 VanDerWaalsContact O-N 3.08Å; Y141-A164 HydrophobicContact CD1-CB 3.83Å; Y141-A164 HydrophobicContact CE1-CB 4.36Å; Y141-A164 HydrophobicContact CG-CB 4.38Å; Y141-C168 VanDerWaalsContact CE2-SG 3.58Å; Y141-K313 HydrophobicContact CE1-CB 4.44Å; Y141-K313 WeakPolarHBondContact CE1-O 3.46Å; Y141-L318 HydrophobicContact CE1-CD1 3.89Å
142	L	98.9	Very high	97.8	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-63.1	-42.4	173.6	-179.6	63.7	0	0	0	112.1	L83 L115 A119 V123 I138 A139 V140 E144 A145 F162 F165	L83-L142 HydrophobicContact CD1-CD2 4.04Å; L83-L142 HydrophobicContact CD2-CD1 4.22Å; L83-L142 HydrophobicContact CD2-CD2 4.14Å; L115-L142 HydrophobicContact CD1-CD2 4.21Å; L115-L142 HydrophobicContact CD1-CG 4.23Å; A119-L142 HydrophobicContact CB-CD2 4.48Å; V123-L142 HydrophobicContact CG2-CB 4.48Å; V123-L142 HydrophobicContact CG2-CD2 3.8Å; I138-L142 PolarHBondContact O-N 2.94Å; A139-L142 PolarHBondContact O-N 3.08Å; V140-L142 VanDerWaalsContact C-N 3.33Å; V140-L142 PolarHBondContact O-N 3.29Å; L142-E144 VanDerWaalsContact C-N 3.31Å; L142-E144 PolarHBondContact O-N 2.93Å; L142-A145 WeakPolarHBondContact O-CB 3.13Å; L142-A145 PolarHBondContact O-N 3.45Å; L142-F162 HydrophobicContact CD1-CE2 4.49Å; L142-F165 HydrophobicContact CB-CD2 4Å; L142-F165 HydrophobicContact CB-CE2 4.21Å; L142-F165 HydrophobicContact CB-CG 4.49Å
143	K	98.8	Very high	98	Very high	45 Å²	45	25.4 Å²	25.4	20%	0.196	14%	0.144	C	C	.	.	H	α-helix	trans	-63.4	-37.7	176.5	-73.1	-179.4	-67.5	-166.5	0	112.2	F112 L115 E116 A119 A139 V140 A145	F112-K143 WeakPolarHBondContact CE2-O 3.1Å; L115-K143 HydrophobicContact CG-CG 4.44Å; E116-K143 HydrophobicContact CG-CD 4.49Å; A119-K143 HydrophobicContact CB-CD 3.96Å; A119-K143 HydrophobicContact CB-CG 3.64Å; A139-K143 WeakPolarHBondContact O-CE 3.37Å; A139-K143 WeakPolarHBondContact O-CG 3.33Å; A139-K143 PolarHBondContact O-N 2.86Å; V140-K143 PolarHBondContact O-N 3.15Å; K143-A145 VanDerWaalsContact C-N 3.26Å; K143-A145 PolarHBondContact O-N 2.66Å
144	E	98.6	Very high	98.1	Very high	54 Å²	54	22 Å²	22	25%	0.252	12%	0.115	S	C	.	.	H	α-helix	trans	-78.3	-9.3	178	-62.6	-71.2	173.7	0	0	112.9	V140 Y141 L142 H158 A161 K313	V140-E144 HydrophobicContact CG1-CG 4.42Å; V140-E144 WeakPolarHBondContact O-CG 3.18Å; V140-E144 PolarHBondContact O-N 3.17Å; Y141-E144 PolarHBondContact O-N 2.77Å; L142-E144 VanDerWaalsContact C-N 3.31Å; L142-E144 PolarHBondContact O-N 2.93Å; E144-H158 PolarHBondContact O-ND1 3.34Å; E144-A161 HydrophobicContact CB-CB 3.85Å; E144-K313 HydrophobicContact CG-CG 4.24Å; E144-K313 WeakPolarHBondContact OE1-CE 3.39Å; E144-K313 IonicContact OE1-NZ 2.63Å
145	A	98.8	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-6.3	-171.4	0	0	0	0	0	116	Y141 L142 K143 H158 A161 F162 Y191	Y141-A145 VanDerWaalsContact O-CB 3.28Å; Y141-A145 WeakPolarHBondContact O-CB 3.11Å; Y141-A145 PolarHBondContact O-N 2.84Å; Y141-A145 VanDerWaalsContact O-N 3.08Å; L142-A145 WeakPolarHBondContact O-CB 3.13Å; L142-A145 PolarHBondContact O-N 3.45Å; K143-A145 VanDerWaalsContact C-N 3.26Å; K143-A145 PolarHBondContact O-N 2.66Å; A145-H158 WeakPolarHBondContact CA-O 3.19Å; A145-A161 HydrophobicContact CB-CB 4.36Å; A145-F162 HydrophobicContact CB-CB 3.75Å; A145-F162 HydrophobicContact CB-CD2 3.92Å; A145-F162 HydrophobicContact CB-CG 4.32Å; A145-Y191 PolarHBondContact O-OH 3.27Å
146	V	98.8	Very high	98.1	Very high	1 Å²	1	23 Å²	23	1%	0.006	12%	0.121	C	C	.	.	S	Bend	trans	-121.5	4.9	-164.7	-58.4	0	0	0	0	115	Y108 W111 F112 L115 M195	Y108-V146 PolarHBondContact OH-O 3.25Å; W111-V146 HydrophobicContact CH2-CB 3.79Å; W111-V146 HydrophobicContact CH2-CG1 4.05Å; W111-V146 HydrophobicContact CH2-CG2 3.79Å; W111-V146 HydrophobicContact CZ3-CB 4Å; W111-V146 HydrophobicContact CZ3-CG2 3.64Å; F112-V146 HydrophobicContact CD2-CG2 3.8Å; F112-V146 HydrophobicContact CE2-CG2 3.63Å; L115-V146 HydrophobicContact CD2-CB 4.42Å; L115-V146 HydrophobicContact CD2-CG1 4.22Å; L115-V146 HydrophobicContact CD2-CG2 3.39Å; V146-M195 HydrophobicContact CB-CE 4.24Å; V146-M195 HydrophobicContact CB-SD 4.38Å; V146-M195 HydrophobicContact CG1-CE 3.86Å; V146-M195 HydrophobicContact CG1-SD 4.43Å
147	G	98.3	Very high	98.1	Very high	2 Å²	2	22 Å²	22	2%	0.021	12%	0.118	C	C	.	.			trans	111.6	177.9	-179.5	0	0	0	0	0	113.2	Y108 D153 H158	Y108-G147 VanDerWaalsContact OH-C 3.32Å; Y108-G147 WeakPolarHBondContact OH-CA 3.5Å; Y108-G147 PolarHBondContact OH-O 2.92Å; G147-D153 CarbonylContact C-O 3.59Å; G147-D153 WeakPolarHBondContact CA-O 3.44Å; G147-H158 VanDerWaalsContact C-CE1 3.46Å
148	N	98.3	Very high	98.1	Very high	31 Å²	31	22.6 Å²	22.6	17%	0.166	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-102.3	123.3	-177.5	-171.6	-89.9	0	0	0	112.4	T150 R151 I152 D153	N148-T150 VanDerWaalsContact C-N 3.34Å; N148-T150 PolarHBondContact O-N 2.92Å; N148-T150 WeakPolarHBondContact OD1-CB 3.04Å; N148-T150 PolarHBondContact OD1-N 3.19Å; N148-R151 HydrophobicContact CB-CB 4.37Å; N148-R151 VanDerWaalsContact CB-NH2 3.33Å; N148-R151 PolarHBondContact ND2-NH1 3.14Å; N148-R151 PolarHBondContact OD1-N 3.07Å; N148-I152 WeakPolarHBondContact O-CA 3.21Å; N148-I152 PolarHBondContact O-N 3.24Å; N148-D153 WeakPolarHBondContact CB-OD1 3.17Å; N148-D153 PolarHBondContact N-O 3.5Å
149	P	97.6	Very high	98.1	Very high	29 Å²	29	22.6 Å²	22.6	19%	0.188	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-29.5	-177.7	27.9	-36.9	0	0	0	114	Y108 R109 F112 I152	Y108-P149 HydrophobicContact CE1-CB 4.4Å; R109-P149 VanDerWaalsContact CG-O 3.22Å; R109-P149 WeakPolarHBondContact CG-O 3.44Å; R109-P149 PolarHBondContact NE-O 2.95Å; F112-P149 HydrophobicContact CB-CB 4.14Å; F112-P149 HydrophobicContact CD1-CB 3.7Å; F112-P149 HydrophobicContact CD1-CG 3.62Å; F112-P149 HydrophobicContact CD2-CB 4.49Å; F112-P149 HydrophobicContact CE1-CB 4.21Å; F112-P149 HydrophobicContact CE1-CG 3.6Å; F112-P149 HydrophobicContact CG-CB 3.86Å; F112-P149 HydrophobicContact CG-CG 4.14Å; F112-P149 HydrophobicContact CZ-CG 4.12Å; P149-I152 WeakPolarHBondContact O-CG1 3.23Å
150	T	95.9	Very high	98.1	Very high	103 Å²	103	22.6 Å²	22.6	63%	0.632	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-52.4	-178.9	-58.1	0	0	0	0	110.7	R109 N148	R109-T150 PolarHBondContact NH2-O 2.85Å; N148-T150 VanDerWaalsContact C-N 3.34Å; N148-T150 PolarHBondContact O-N 2.92Å; N148-T150 WeakPolarHBondContact OD1-CB 3.04Å; N148-T150 PolarHBondContact OD1-N 3.19Å
151	R	96.4	Very high	98.1	Very high	101 Å²	101	22.2 Å²	22.2	38%	0.381	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-21.1	-177.7	-59	-170.5	-52.3	-87	-8.8	113.3	N148 D153	N148-R151 HydrophobicContact CB-CB 4.37Å; N148-R151 VanDerWaalsContact CB-NH2 3.33Å; N148-R151 PolarHBondContact ND2-NH1 3.14Å; N148-R151 PolarHBondContact OD1-N 3.07Å; R151-D153 VanDerWaalsContact C-N 3.26Å; R151-D153 HydrophobicContact CB-CB 4.32Å; R151-D153 IonicContact CZ-OD1 2.74Å; R151-D153 IonicContact CZ-OD2 3.67Å; R151-D153 IonicContact NE-OD1 2.76Å; R151-D153 PolarHBondContact NE-OD1 2.79Å; R151-D153 IonicContact NE-OD2 2.66Å; R151-D153 PolarHBondContact NE-OD2 2.8Å; R151-D153 IonicContact NH2-OD1 3.27Å; R151-D153 PolarHBondContact NH2-OD1 3.37Å; R151-D153 IonicContact NH2-OD2 3.91Å; R151-D153 PolarHBondContact NH2-OD2 2.91Å; R151-D153 PolarHBondContact O-N 3.26Å
152	I	97.8	Very high	98.1	Very high	8 Å²	8	22 Å²	22	4%	0.041	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	47.3	-175.2	-44.8	174.9	0	0	0	109.7	Y108 N148 P149 M204 E205	Y108-I152 HydrophobicContact CD1-CB 4.36Å; Y108-I152 HydrophobicContact CD1-CG1 4.28Å; Y108-I152 HydrophobicContact CD1-CG2 3.87Å; Y108-I152 HydrophobicContact CG-CG2 4.04Å; N148-I152 WeakPolarHBondContact O-CA 3.21Å; N148-I152 PolarHBondContact O-N 3.24Å; P149-I152 WeakPolarHBondContact O-CG1 3.23Å; I152-M204 HydrophobicContact CG2-CG 4.32Å; I152-M204 WeakPolarHBondContact O-CA 3.46Å; I152-E205 PolarHBondContact O-N 3.11Å
153	D	97.6	Very high	98.1	Very high	18 Å²	18	22 Å²	22	10%	0.096	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	159.4	179	68.3	7.5	0	0	0	111.5	G147 N148 R151 M204 E205 A207	G147-D153 CarbonylContact C-O 3.59Å; G147-D153 WeakPolarHBondContact CA-O 3.44Å; N148-D153 WeakPolarHBondContact CB-OD1 3.17Å; N148-D153 PolarHBondContact N-O 3.5Å; R151-D153 VanDerWaalsContact C-N 3.26Å; R151-D153 HydrophobicContact CB-CB 4.32Å; R151-D153 IonicContact CZ-OD1 2.74Å; R151-D153 IonicContact CZ-OD2 3.67Å; R151-D153 IonicContact NE-OD1 2.76Å; R151-D153 PolarHBondContact NE-OD1 2.79Å; R151-D153 IonicContact NE-OD2 2.66Å; R151-D153 PolarHBondContact NE-OD2 2.8Å; R151-D153 IonicContact NH2-OD1 3.27Å; R151-D153 PolarHBondContact NH2-OD1 3.37Å; R151-D153 IonicContact NH2-OD2 3.91Å; R151-D153 PolarHBondContact NH2-OD2 2.91Å; R151-D153 PolarHBondContact O-N 3.26Å; D153-M204 WeakPolarHBondContact O-CE 3.32Å; D153-E205 CarbonylContact C-O 3.58Å; D153-E205 WeakPolarHBondContact CA-O 3.34Å; D153-E205 HydrophobicContact CB-CB 4.18Å; D153-E205 WeakPolarHBondContact CB-O 3.28Å; D153-A207 HydrophobicContact CB-CB 3.94Å
154	Y	98.4	Very high	98.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	149.2	176.3	177.6	-83.2	0	0	0	109.4	H158 E159 Y191 M195 E205 A207 F218 Q219	Y154-H158 HydrophobicContact CD2-CB 3.77Å; Y154-H158 HydrophobicContact CE2-CB 3.55Å; Y154-E159 WeakPolarHBondContact OH-CB 3.24Å; Y154-Y191 WeakPolarHBondContact CE2-OH 3.23Å; Y154-Y191 PolarHBondContact OH-OH 3.25Å; Y154-M195 HydrophobicContact CD2-SD 4.02Å; Y154-M195 HydrophobicContact CE2-CG 4.01Å; Y154-M195 HydrophobicContact CE2-SD 3.46Å; Y154-M195 WeakPolarHBondContact CE2-SD 3.32Å; Y154-E205 PolarHBondContact N-O 3.42Å; Y154-A207 WeakPolarHBondContact O-CB 3.49Å; Y154-A207 PolarHBondContact O-N 3.24Å; Y154-F218 HydrophobicContact CD1-CB 3.87Å; Y154-F218 AromaticContact CD1-CD1 3.85Å; Y154-F218 HydrophobicContact CD1-CD1 3.85Å; Y154-F218 HydrophobicContact CD1-CG 4.22Å; Y154-F218 HydrophobicContact CE1-CB 4.06Å; Y154-F218 WeakPolarHBondContact O-CD1 3.46Å; Y154-Q219 VanDerWaalsContact CE1-NE2 3.26Å; Y154-Q219 PolarHBondContact OH-NE2 2.85Å; Y154-Q219 PolarHBondContact OH-OE1 2.93Å; Y154-Q219 VanDerWaalsContact OH-OE1 3.13Å
155	G	97.5	Very high	98.2	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.01	10%	0.098	C	C	.	.			trans	-171.7	-171.1	177.4	0	0	0	0	0	112	G157 H158 E159 F218	G155-G157 PolarHBondContact O-N 3.19Å; G155-G157 VanDerWaalsContact O-N 3.1Å; G155-H158 WeakPolarHBondContact O-CB 3.3Å; G155-H158 PolarHBondContact O-N 3.08Å; G155-E159 PolarHBondContact O-N 3.45Å; G155-F218 CarbonylContact C-O 3.6Å; G155-F218 VanDerWaalsContact C-O 3.32Å
156	T	97.8	Very high	98.2	Very high	24 Å²	24	17.3 Å²	17.3	15%	0.147	10%	0.098	C	C	.	.	H	α-helix	trans	-62.6	-22.9	-169.8	55.7	0	0	0	0	114.7	A160 F218 F220 V308	T156-A160 VanDerWaalsContact O-CB 3.32Å; T156-A160 WeakPolarHBondContact O-CB 3.4Å; T156-A160 PolarHBondContact O-N 3.21Å; T156-F218 PolarHBondContact N-O 2.78Å; T156-F220 HydrophobicContact CG2-CB 3.89Å; T156-V308 WeakPolarHBondContact OG1-CG1 3.36Å
157	G	97.8	Very high	98.2	Very high	22 Å²	22	17.3 Å²	17.3	23%	0.227	10%	0.098	C	C	.	.	H	α-helix	trans	-66.8	-35.2	171.4	0	0	0	0	0	113.2	G155 A161	G155-G157 PolarHBondContact O-N 3.19Å; G155-G157 VanDerWaalsContact O-N 3.1Å; G157-A161 PolarHBondContact O-N 3.35Å; G157-A161 VanDerWaalsContact O-N 3.1Å
158	H	98.7	Very high	98.2	Very high	14 Å²	14	17.2 Å²	17.2	7%	0.065	10%	0.097	C	C	.	.	H	α-helix	trans	-75.2	-41.5	175.5	-62	-67.5	0	0	0	111	E144 A145 G147 Y154 G155 A160 A161 F162	E144-H158 PolarHBondContact O-ND1 3.34Å; A145-H158 WeakPolarHBondContact CA-O 3.19Å; G147-H158 VanDerWaalsContact C-CE1 3.46Å; Y154-H158 HydrophobicContact CD2-CB 3.77Å; Y154-H158 HydrophobicContact CE2-CB 3.55Å; G155-H158 WeakPolarHBondContact O-CB 3.3Å; G155-H158 PolarHBondContact O-N 3.08Å; H158-A160 VanDerWaalsContact C-N 3.26Å; H158-A160 PolarHBondContact O-N 2.9Å; H158-A161 WeakPolarHBondContact O-CB 3.36Å; H158-A161 PolarHBondContact O-N 3.38Å; H158-A161 VanDerWaalsContact O-N 3.08Å; H158-F162 PolarHBondContact O-N 3.41Å
159	E	98.8	Very high	98.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-55.6	-43.8	170.4	-171.1	-169.5	-130.9	0	0	111.3	Y154 G155 A161 F162 A163 F188 Q219 F220 L221 P222	Y154-E159 WeakPolarHBondContact OH-CB 3.24Å; G155-E159 PolarHBondContact O-N 3.45Å; E159-A161 VanDerWaalsContact C-N 3.32Å; E159-A161 PolarHBondContact O-N 3.39Å; E159-F162 WeakPolarHBondContact O-CB 3.36Å; E159-F162 PolarHBondContact O-N 3.45Å; E159-F162 VanDerWaalsContact O-N 3.12Å; E159-A163 PolarHBondContact O-N 3.09Å; E159-A163 VanDerWaalsContact O-N 3.07Å; E159-F188 HydrophobicContact CG-CE2 4.37Å; E159-F188 HydrophobicContact CG-CZ 3.91Å; E159-Q219 WeakPolarHBondContact OE1-CB 3.4Å; E159-Q219 PolarHBondContact OE1-OE1 3.1Å; E159-F220 VanDerWaalsContact CD-N 3.35Å; E159-F220 PolarHBondContact OE1-N 3.04Å; E159-F220 VanDerWaalsContact OE1-N 3.12Å; E159-F220 PolarHBondContact OE2-N 3.24Å; E159-L221 HydrophobicContact CG-CB 4.41Å; E159-L221 HydrophobicContact CG-CD1 4.1Å; E159-L221 HydrophobicContact CG-CG 4.3Å; E159-L221 PolarHBondContact OE1-N 2.94Å; E159-L221 PolarHBondContact OE2-N 3.12Å; E159-P222 WeakPolarHBondContact OE1-CD 3.37Å
160	A	98.7	Very high	98.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.3	-36.4	175.9	0	0	0	0	0	112.8	Y51 T156 H158 F162 A163 A164	Y51-A160 WeakPolarHBondContact CE2-O 3.4Å; Y51-A160 VanDerWaalsContact OH-CA 3.25Å; Y51-A160 WeakPolarHBondContact OH-CA 3.49Å; Y51-A160 WeakPolarHBondContact OH-CB 3.35Å; T156-A160 VanDerWaalsContact O-CB 3.32Å; T156-A160 WeakPolarHBondContact O-CB 3.4Å; T156-A160 PolarHBondContact O-N 3.21Å; H158-A160 VanDerWaalsContact C-N 3.26Å; H158-A160 PolarHBondContact O-N 2.9Å; A160-F162 VanDerWaalsContact C-N 3.31Å; A160-F162 PolarHBondContact O-N 2.84Å; A160-A163 PolarHBondContact O-N 2.87Å; A160-A164 WeakPolarHBondContact O-CB 3.31Å; A160-A164 PolarHBondContact O-N 3.26Å
161	A	98.8	Very high	98.2	Very high	8 Å²	8	14 Å²	14	7%	0.066	7%	0.07	C	C	.	.	H	α-helix	trans	-65.8	-32.8	173.6	0	0	0	0	0	112.4	E144 A145 G157 H158 E159 A164 F165	E144-A161 HydrophobicContact CB-CB 3.85Å; A145-A161 HydrophobicContact CB-CB 4.36Å; G157-A161 PolarHBondContact O-N 3.35Å; G157-A161 VanDerWaalsContact O-N 3.1Å; H158-A161 WeakPolarHBondContact O-CB 3.36Å; H158-A161 PolarHBondContact O-N 3.38Å; H158-A161 VanDerWaalsContact O-N 3.08Å; E159-A161 VanDerWaalsContact C-N 3.32Å; E159-A161 PolarHBondContact O-N 3.39Å; A161-A164 WeakPolarHBondContact O-CB 3.32Å; A161-A164 PolarHBondContact O-N 3.2Å; A161-F165 WeakPolarHBondContact O-CB 3.23Å; A161-F165 PolarHBondContact O-N 2.86Å
162	F	98.9	Very high	98.3	Very high	1 Å²	1	9.4 Å²	9.4	0%	0.004	5%	0.054	C	C	.	.	H	α-helix	trans	-68	-41.9	172.6	-165.4	-111.3	0	0	0	112.3	L84 L142 A145 H158 E159 A160 A164 F165 L166 V187 F188 Y191	L84-F162 HydrophobicContact CD1-CZ 4.45Å; L84-F162 HydrophobicContact CD2-CE2 4.23Å; L84-F162 HydrophobicContact CD2-CZ 4.19Å; L142-F162 HydrophobicContact CD1-CE2 4.49Å; A145-F162 HydrophobicContact CB-CB 3.75Å; A145-F162 HydrophobicContact CB-CD2 3.92Å; A145-F162 HydrophobicContact CB-CG 4.32Å; H158-F162 PolarHBondContact O-N 3.41Å; E159-F162 WeakPolarHBondContact O-CB 3.36Å; E159-F162 PolarHBondContact O-N 3.45Å; E159-F162 VanDerWaalsContact O-N 3.12Å; A160-F162 VanDerWaalsContact C-N 3.31Å; A160-F162 PolarHBondContact O-N 2.84Å; F162-A164 VanDerWaalsContact C-N 3.29Å; F162-A164 PolarHBondContact O-N 2.65Å; F162-F165 HydrophobicContact CD2-CD1 4.04Å; F162-F165 AromaticContact CE2-CD1 3.8Å; F162-F165 HydrophobicContact CE2-CD1 3.8Å; F162-F165 HydrophobicContact CE2-CE1 4.07Å; F162-F165 HydrophobicContact CZ-CD1 4.42Å; F162-F165 WeakPolarHBondContact O-CB 3.42Å; F162-F165 PolarHBondContact O-N 3.49Å; F162-L166 HydrophobicContact CD1-CD1 3.97Å; F162-L166 HydrophobicContact CE1-CD1 3.7Å; F162-L166 HydrophobicContact CE1-CG 4.21Å; F162-L166 HydrophobicContact CZ-CD1 4.41Å; F162-L166 HydrophobicContact CZ-CD2 4.46Å; F162-L166 WeakPolarHBondContact O-CG 3.43Å; F162-L166 PolarHBondContact O-N 2.69Å; F162-V187 HydrophobicContact CE1-CG1 4.44Å; F162-V187 HydrophobicContact CZ-CG1 4.16Å; F162-F188 AromaticContact CD1-CD2 3.68Å; F162-F188 HydrophobicContact CD1-CD2 3.68Å; F162-F188 AromaticContact CD1-CE2 3.93Å; F162-F188 HydrophobicContact CD1-CE2 3.93Å; F162-F188 AromaticContact CE1-CD2 3.96Å; F162-F188 HydrophobicContact CE1-CD2 3.96Å; F162-Y191 HydrophobicContact CB-CD2 4.37Å; F162-Y191 HydrophobicContact CB-CE1 3.96Å; F162-Y191 HydrophobicContact CB-CE2 3.8Å; F162-Y191 AromaticContact CD1-CD1 3.5Å; F162-Y191 HydrophobicContact CD1-CD1 3.5Å; F162-Y191 VanDerWaalsContact CD1-CD1 3.5Å; F162-Y191 AromaticContact CD1-CD2 3.67Å; F162-Y191 HydrophobicContact CD1-CD2 3.67Å; F162-Y191 AromaticContact CD1-CE1 3.82Å; F162-Y191 HydrophobicContact CD1-CE1 3.82Å; F162-Y191 AromaticContact CD1-CE2 3.97Å; F162-Y191 HydrophobicContact CD1-CE2 3.97Å; F162-Y191 AromaticContact CD1-CG 3.41Å; F162-Y191 HydrophobicContact CD1-CG 3.41Å; F162-Y191 VanDerWaalsContact CD1-CG 3.41Å; F162-Y191 AromaticContact CD2-CD2 3.53Å; F162-Y191 HydrophobicContact CD2-CD2 3.53Å; F162-Y191 AromaticContact CD2-CE2 3.56Å; F162-Y191 HydrophobicContact CD2-CE2 3.56Å; F162-Y191 HydrophobicContact CD2-CG 4.16Å; F162-Y191 AromaticContact CE1-CD1 3.85Å; F162-Y191 HydrophobicContact CE1-CD1 3.85Å; F162-Y191 AromaticContact CE1-CD2 3.74Å; F162-Y191 HydrophobicContact CE1-CD2 3.74Å; F162-Y191 HydrophobicContact CE1-CE2 4.48Å; F162-Y191 AromaticContact CE1-CG 3.37Å; F162-Y191 HydrophobicContact CE1-CG 3.37Å; F162-Y191 AromaticContact CE2-CD2 3.61Å; F162-Y191 HydrophobicContact CE2-CD2 3.61Å; F162-Y191 HydrophobicContact CE2-CE2 4.13Å; F162-Y191 HydrophobicContact CE2-CG 4.13Å; F162-Y191 HydrophobicContact CG-CD1 4.01Å; F162-Y191 AromaticContact CG-CD2 3.56Å; F162-Y191 HydrophobicContact CG-CD2 3.56Å; F162-Y191 AromaticContact CG-CE1 3.95Å; F162-Y191 HydrophobicContact CG-CE1 3.95Å; F162-Y191 AromaticContact CG-CE2 3.47Å; F162-Y191 HydrophobicContact CG-CE2 3.47Å; F162-Y191 VanDerWaalsContact CG-CE2 3.47Å; F162-Y191 AromaticContact CG-CG 3.82Å; F162-Y191 HydrophobicContact CG-CG 3.82Å; F162-Y191 AromaticContact CG-CZ 3.66Å; F162-Y191 AromaticContact CZ-CD2 3.72Å; F162-Y191 HydrophobicContact CZ-CD2 3.72Å; F162-Y191 AromaticContact CZ-CG 3.75Å; F162-Y191 HydrophobicContact CZ-CG 3.75Å
163	A	98.9	Very high	98.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.1	-35.9	172.9	0	0	0	0	0	112	Y51 F54 I55 E159 A160 L166 C167 L221	Y51-A163 HydrophobicContact CE2-CB 3.79Å; F54-A163 HydrophobicContact CE1-CB 4.29Å; F54-A163 VanDerWaalsContact CE1-O 3.31Å; F54-A163 WeakPolarHBondContact CE1-O 3.44Å; I55-A163 HydrophobicContact CD1-CB 3.87Å; E159-A163 PolarHBondContact O-N 3.09Å; E159-A163 VanDerWaalsContact O-N 3.07Å; A160-A163 PolarHBondContact O-N 2.87Å; A163-L166 PolarHBondContact O-N 3.03Å; A163-C167 WeakPolarHBondContact O-CB 3.07Å; A163-C167 PolarHBondContact O-N 3.46Å; A163-L221 HydrophobicContact CB-CD1 3.62Å
164	A	98.9	Very high	98.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.1	-42.4	172.8	0	0	0	0	0	111.9	Y51 Y141 A160 A161 F162 L166 C167 C168 F312 L318	Y51-A164 HydrophobicContact CD2-CB 4.33Å; Y51-A164 HydrophobicContact CE2-CB 4.33Å; Y141-A164 HydrophobicContact CD1-CB 3.83Å; Y141-A164 HydrophobicContact CE1-CB 4.36Å; Y141-A164 HydrophobicContact CG-CB 4.38Å; A160-A164 WeakPolarHBondContact O-CB 3.31Å; A160-A164 PolarHBondContact O-N 3.26Å; A161-A164 WeakPolarHBondContact O-CB 3.32Å; A161-A164 PolarHBondContact O-N 3.2Å; F162-A164 VanDerWaalsContact C-N 3.29Å; F162-A164 PolarHBondContact O-N 2.65Å; A164-L166 PolarHBondContact O-N 3.38Å; A164-C167 WeakPolarHBondContact O-CB 3.44Å; A164-C167 PolarHBondContact O-N 3.42Å; A164-C168 PolarHBondContact O-N 3.11Å; A164-C168 PolarHBondContact O-SG 3.38Å; A164-C168 VanDerWaalsContact O-SG 3.33Å; A164-F312 HydrophobicContact CB-CE2 4Å; A164-F312 HydrophobicContact CB-CZ 3.93Å; A164-L318 HydrophobicContact CB-CD1 3.7Å
165	F	98.9	Very high	98.1	Very high	1 Å²	1	10.3 Å²	10.3	0%	0.004	7%	0.069	C	C	.	.	H	α-helix	trans	-55.7	-48	172.9	162.9	-104.4	0	0	0	111.9	L80 V123 I138 L142 A161 F162 C168 L169	L80-F165 HydrophobicContact CD2-CE1 3.68Å; L80-F165 HydrophobicContact CD2-CZ 3.71Å; V123-F165 HydrophobicContact CG2-CE2 3.79Å; I138-F165 HydrophobicContact CG2-CD2 3.49Å; I138-F165 VanDerWaalsContact CG2-CD2 3.49Å; I138-F165 HydrophobicContact CG2-CE2 3.58Å; L142-F165 HydrophobicContact CB-CD2 4Å; L142-F165 HydrophobicContact CB-CE2 4.21Å; L142-F165 HydrophobicContact CB-CG 4.49Å; A161-F165 WeakPolarHBondContact O-CB 3.23Å; A161-F165 PolarHBondContact O-N 2.86Å; F162-F165 HydrophobicContact CD2-CD1 4.04Å; F162-F165 AromaticContact CE2-CD1 3.8Å; F162-F165 HydrophobicContact CE2-CD1 3.8Å; F162-F165 HydrophobicContact CE2-CE1 4.07Å; F162-F165 HydrophobicContact CZ-CD1 4.42Å; F162-F165 WeakPolarHBondContact O-CB 3.42Å; F162-F165 PolarHBondContact O-N 3.49Å; F165-C168 PolarHBondContact O-N 3.24Å; F165-L169 HydrophobicContact CD1-CD1 4.45Å; F165-L169 HydrophobicContact CE1-CD1 3.85Å; F165-L169 HydrophobicContact CE2-CD1 4.07Å; F165-L169 HydrophobicContact CE2-CG 4.44Å; F165-L169 HydrophobicContact CZ-CD1 3.64Å; F165-L169 HydrophobicContact CZ-CG 4.48Å; F165-L169 PolarHBondContact O-N 3.28Å; F165-L169 VanDerWaalsContact O-N 3.16Å
166	L	98.9	Very high	98	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-66.2	-40.3	176.8	-63.2	170.6	0	0	0	112.1	F54 L80 F162 A163 A164 C168 L169 C170 L175 I183 V187 F188	F54-L166 HydrophobicContact CE1-CB 4.17Å; F54-L166 HydrophobicContact CZ-CB 3.64Å; L80-L166 HydrophobicContact CD1-CD2 4.32Å; F162-L166 HydrophobicContact CD1-CD1 3.97Å; F162-L166 HydrophobicContact CE1-CD1 3.7Å; F162-L166 HydrophobicContact CE1-CG 4.21Å; F162-L166 HydrophobicContact CZ-CD1 4.41Å; F162-L166 HydrophobicContact CZ-CD2 4.46Å; F162-L166 WeakPolarHBondContact O-CG 3.43Å; F162-L166 PolarHBondContact O-N 2.69Å; A163-L166 PolarHBondContact O-N 3.03Å; A164-L166 PolarHBondContact O-N 3.38Å; L166-C168 VanDerWaalsContact C-N 3.33Å; L166-C168 PolarHBondContact O-N 3.35Å; L166-L169 HydrophobicContact CD2-CD1 4.47Å; L166-L169 WeakPolarHBondContact O-CB 3.43Å; L166-L169 PolarHBondContact O-N 3.23Å; L166-C170 PolarHBondContact O-N 3.5Å; L166-L175 HydrophobicContact CD2-CD1 4.34Å; L166-I183 HydrophobicContact CD1-CG2 3.98Å; L166-V187 HydrophobicContact CD2-CG1 3.9Å; L166-F188 HydrophobicContact CD1-CD2 4.37Å
167	C	98.8	Very high	97.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.7	-44.7	174.5	-176.8	0	0	0	0	111.2	F54 A163 A164 L169 C170 K171	F54-C167 HydrophobicContact CB-CB 4.2Å; F54-C167 HydrophobicContact CD1-CB 3.91Å; F54-C167 HydrophobicContact CD2-CB 4.09Å; F54-C167 HydrophobicContact CE1-CB 4.26Å; F54-C167 HydrophobicContact CE2-CB 4.43Å; F54-C167 HydrophobicContact CG-CB 3.81Å; F54-C167 HydrophobicContact CZ-CB 4.49Å; A163-C167 WeakPolarHBondContact O-CB 3.07Å; A163-C167 PolarHBondContact O-N 3.46Å; A164-C167 WeakPolarHBondContact O-CB 3.44Å; A164-C167 PolarHBondContact O-N 3.42Å; C167-L169 VanDerWaalsContact C-N 3.33Å; C167-L169 PolarHBondContact O-N 3.13Å; C167-C170 WeakPolarHBondContact O-CB 3.36Å; C167-C170 PolarHBondContact O-N 2.91Å; C167-C170 VanDerWaalsContact O-N 3.14Å; C167-K171 WeakPolarHBondContact O-CG 3.23Å; C167-K171 PolarHBondContact O-N 3.07Å
168	C	98.7	Very high	97.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.4	-39.8	175.8	-72.4	0	0	0	0	112.8	I138 Y141 A164 F165 L166 C170 K171 V172 L317	I138-C168 HydrophobicContact CD1-CB 4.25Å; I138-C168 HydrophobicContact CG1-CB 3.93Å; I138-C168 HydrophobicContact CG2-CB 4.49Å; Y141-C168 VanDerWaalsContact CE2-SG 3.58Å; A164-C168 PolarHBondContact O-N 3.11Å; A164-C168 PolarHBondContact O-SG 3.38Å; A164-C168 VanDerWaalsContact O-SG 3.33Å; F165-C168 PolarHBondContact O-N 3.24Å; L166-C168 VanDerWaalsContact C-N 3.33Å; L166-C168 PolarHBondContact O-N 3.35Å; C168-C170 VanDerWaalsContact C-N 3.32Å; C168-C170 PolarHBondContact O-N 3.37Å; C168-K171 PolarHBondContact O-N 3.12Å; C168-V172 WeakPolarHBondContact O-CG2 3.25Å; C168-V172 PolarHBondContact O-N 2.85Å; C168-L317 HydrophobicContact CB-CD1 3.86Å
169	L	98.6	Very high	97.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.3	-36.7	174.7	-69.8	173.1	0	0	0	112.4	L80 V126 L127 I138 F165 L166 C167 V172 G173 A174 L175	L80-L169 HydrophobicContact CD1-CD1 4.06Å; L80-L169 HydrophobicContact CD2-CD1 3.76Å; L80-L169 HydrophobicContact CG-CD1 4.4Å; V126-L169 HydrophobicContact CG1-CD1 4.45Å; V126-L169 HydrophobicContact CG1-CD2 4.4Å; L127-L169 HydrophobicContact CD2-CD2 3.63Å; L127-L169 HydrophobicContact CG-CD2 4.37Å; I138-L169 HydrophobicContact CD1-CD2 4.22Å; I138-L169 HydrophobicContact CG2-CD2 4.28Å; I138-L169 HydrophobicContact CG2-CG 4.46Å; F165-L169 HydrophobicContact CD1-CD1 4.45Å; F165-L169 HydrophobicContact CE1-CD1 3.85Å; F165-L169 HydrophobicContact CE2-CD1 4.07Å; F165-L169 HydrophobicContact CE2-CG 4.44Å; F165-L169 HydrophobicContact CZ-CD1 3.64Å; F165-L169 HydrophobicContact CZ-CG 4.48Å; F165-L169 PolarHBondContact O-N 3.28Å; F165-L169 VanDerWaalsContact O-N 3.16Å; L166-L169 HydrophobicContact CD2-CD1 4.47Å; L166-L169 WeakPolarHBondContact O-CB 3.43Å; L166-L169 PolarHBondContact O-N 3.23Å; C167-L169 VanDerWaalsContact C-N 3.33Å; C167-L169 PolarHBondContact O-N 3.13Å; L169-V172 WeakPolarHBondContact O-CG2 3.5Å; L169-G173 PolarHBondContact O-N 3.03Å; L169-A174 HydrophobicContact CD2-CB 4.32Å; L169-A174 PolarHBondContact O-N 3.06Å; L169-L175 HydrophobicContact CB-CD1 3.72Å; L169-L175 HydrophobicContact CB-CG 4.04Å; L169-L175 HydrophobicContact CD1-CD1 4.12Å; L169-L175 PolarHBondContact O-N 3.08Å
170	C	98	Very high	97.1	Very high	10 Å²	10	25.2 Å²	25.2	7%	0.068	13%	0.132	C	C	.	.	H	α-helix	trans	-65.6	-45.4	170.9	-65	0	0	0	0	111.4	L166 C167 C168 V172 G173	L166-C170 PolarHBondContact O-N 3.5Å; C167-C170 WeakPolarHBondContact O-CB 3.36Å; C167-C170 PolarHBondContact O-N 2.91Å; C167-C170 VanDerWaalsContact O-N 3.14Å; C168-C170 VanDerWaalsContact C-N 3.32Å; C168-C170 PolarHBondContact O-N 3.37Å; C170-V172 VanDerWaalsContact C-N 3.3Å; C170-V172 PolarHBondContact O-N 3.33Å; C170-G173 WeakPolarHBondContact O-CA 3.44Å; C170-G173 PolarHBondContact O-N 3.48Å
171	K	96.6	Very high	97.1	Very high	85 Å²	85	26.4 Å²	26.4	37%	0.37	14%	0.138	S	C	.	.	H	α-helix	trans	-62.6	-32.9	-178.1	-71.4	-169.3	75.3	80.3	0	113.6	D50 C167 C168 G173 L317	D50-K171 IonicContact OD1-NZ 3.4Å; D50-K171 WeakPolarHBondContact OD2-CE 3.38Å; D50-K171 IonicContact OD2-NZ 3.47Å; D50-K171 PolarHBondContact OD2-NZ 3.43Å; C167-K171 WeakPolarHBondContact O-CG 3.23Å; C167-K171 PolarHBondContact O-N 3.07Å; C168-K171 PolarHBondContact O-N 3.12Å; K171-G173 VanDerWaalsContact C-N 3.28Å; K171-L317 HydrophobicContact CB-CD2 4.27Å; K171-L317 VanDerWaalsContact CD-O 3.23Å; K171-L317 WeakPolarHBondContact CD-O 3.46Å; K171-L317 WeakPolarHBondContact CE-O 3.5Å
172	V	96.8	Very high	97.1	Very high	6 Å²	6	26 Å²	26	4%	0.036	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-5.9	174.7	-58.8	0	0	0	0	113.3	Y26 L127 K131 A134 I138 C168 L169 C170 A174 L317	Y26-V172 HydrophobicContact CE1-CG1 4.27Å; L127-V172 HydrophobicContact CD2-CG2 3.88Å; K131-V172 WeakPolarHBondContact CD-O 3.36Å; K131-V172 WeakPolarHBondContact CE-O 3.41Å; K131-V172 PolarHBondContact NZ-O 3.35Å; K131-V172 VanDerWaalsContact NZ-O 3.13Å; A134-V172 HydrophobicContact CB-CG1 3.96Å; I138-V172 HydrophobicContact CD1-CG1 4.12Å; I138-V172 HydrophobicContact CD1-CG2 4.1Å; C168-V172 WeakPolarHBondContact O-CG2 3.25Å; C168-V172 PolarHBondContact O-N 2.85Å; L169-V172 WeakPolarHBondContact O-CG2 3.5Å; C170-V172 VanDerWaalsContact C-N 3.3Å; C170-V172 PolarHBondContact O-N 3.33Å; V172-A174 HydrophobicContact CG2-CB 4.01Å; V172-L317 HydrophobicContact CG1-CD1 3.9Å; V172-L317 HydrophobicContact CG1-CD2 3.79Å
173	G	96	Very high	97.1	Very high	38 Å²	38	26.1 Å²	26.1	39%	0.392	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	13.4	179.4	0	0	0	0	0	114.9	L169 C170 K171	L169-G173 PolarHBondContact O-N 3.03Å; C170-G173 WeakPolarHBondContact O-CA 3.44Å; C170-G173 PolarHBondContact O-N 3.48Å; K171-G173 VanDerWaalsContact C-N 3.28Å
174	A	96.8	Very high	97	Very high	6 Å²	6	26.1 Å²	26.1	5%	0.05	14%	0.135	C	C	.	.	S	Bend	trans	-74.6	-38.3	177.1	0	0	0	0	0	111.7	T76 L127 P128 L169 V172	T76-A174 WeakPolarHBondContact CB-O 3.4Å; T76-A174 HydrophobicContact CG2-CB 4.3Å; T76-A174 WeakPolarHBondContact CG2-O 3.44Å; T76-A174 PolarHBondContact OG1-O 3.1Å; L127-A174 HydrophobicContact CD2-CB 3.86Å; P128-A174 HydrophobicContact CG-CB 4.46Å; L169-A174 HydrophobicContact CD2-CB 4.32Å; L169-A174 PolarHBondContact O-N 3.06Å; V172-A174 HydrophobicContact CG2-CB 4.01Å
175	L	97.6	Very high	97	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-102.1	141.1	167	-71	171.4	0	0	0	109.6	T76 V77 L80 L166 L169 D179 I183	T76-L175 HydrophobicContact CG2-CD2 3.74Å; T76-L175 HydrophobicContact CG2-CG 4.06Å; V77-L175 HydrophobicContact CG2-CD2 3.95Å; L80-L175 HydrophobicContact CD1-CD1 4.03Å; L80-L175 HydrophobicContact CD1-CD2 4.03Å; L80-L175 HydrophobicContact CD1-CG 4.39Å; L166-L175 HydrophobicContact CD2-CD1 4.34Å; L169-L175 HydrophobicContact CB-CD1 3.72Å; L169-L175 HydrophobicContact CB-CG 4.04Å; L169-L175 HydrophobicContact CD1-CD1 4.12Å; L169-L175 PolarHBondContact O-N 3.08Å; L175-D179 HydrophobicContact CD2-CB 4.1Å; L175-I183 HydrophobicContact CB-CD1 4.24Å; L175-I183 HydrophobicContact CD1-CD1 3.91Å; L175-I183 HydrophobicContact CD1-CG1 4Å; L175-I183 HydrophobicContact CD2-CG1 4.36Å; L175-I183 HydrophobicContact CG-CD1 4.48Å
176	R	94.2	Very high	97	Very high	168 Å²	168	29.7 Å²	29.7	63%	0.634	15%	0.151	S	C	*	.			trans	-115.7	170.8	-177.5	-62.1	-176.7	-179.9	179.4	0.7	111.3	S178 D179	R176-S178 PolarHBondContact O-N 3.17Å; R176-D179 PolarHBondContact N-OD2 2.9Å; R176-D179 WeakPolarHBondContact O-CB 3.31Å; R176-D179 PolarHBondContact O-N 3.13Å
177	I	88.7	Confident	97	Very high	86 Å²	86	29.7 Å²	29.7	44%	0.441	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-59.7	-30.9	176.7	-163.5	161.3	0	0	0	112.9	F10 D179 Q180	F10-I177 HydrophobicContact CD2-CB 3.84Å; F10-I177 HydrophobicContact CD2-CD1 4.07Å; F10-I177 HydrophobicContact CD2-CG1 4.31Å; F10-I177 HydrophobicContact CE2-CB 3.61Å; F10-I177 HydrophobicContact CE2-CD1 4.39Å; F10-I177 HydrophobicContact CE2-CG1 4.17Å; F10-I177 HydrophobicContact CZ-CB 4.14Å; F10-I177 VanDerWaalsContact CZ-N 3.34Å; I177-D179 PolarHBondContact O-N 3.24Å; I177-Q180 WeakPolarHBondContact O-CB 3.3Å; I177-Q180 VanDerWaalsContact O-CG 3.23Å; I177-Q180 WeakPolarHBondContact O-CG 3.39Å; I177-Q180 PolarHBondContact O-N 3.09Å; I177-Q180 VanDerWaalsContact O-N 3.14Å
178	S	93.6	Very high	97	Very high	58 Å²	58	29.7 Å²	29.7	41%	0.406	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-61.3	-25.7	173.6	51.7	0	0	0	0	112.4	R176 Q180	R176-S178 PolarHBondContact O-N 3.17Å; S178-Q180 VanDerWaalsContact C-N 3.35Å
179	D	97.4	Very high	97	Very high	4 Å²	4	31 Å²	31	2%	0.021	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-83.3	-5.7	178.9	-59.3	-57.3	0	0	0	113.3	S74 V77 L175 R176 I177 L181 A182 I183	S74-D179 WeakPolarHBondContact CB-OD1 3.4Å; S74-D179 VanDerWaalsContact OG-CG 3.32Å; S74-D179 PolarHBondContact OG-OD1 2.8Å; V77-D179 HydrophobicContact CG2-CB 4.2Å; L175-D179 HydrophobicContact CD2-CB 4.1Å; R176-D179 PolarHBondContact N-OD2 2.9Å; R176-D179 WeakPolarHBondContact O-CB 3.31Å; R176-D179 PolarHBondContact O-N 3.13Å; I177-D179 PolarHBondContact O-N 3.24Å; D179-L181 VanDerWaalsContact C-N 3.25Å; D179-L181 PolarHBondContact O-N 3.1Å; D179-L181 VanDerWaalsContact O-N 3.08Å; D179-A182 CarbonylContact O-C 3.46Å; D179-A182 WeakPolarHBondContact O-CA 3.45Å; D179-A182 WeakPolarHBondContact O-CB 3.37Å; D179-A182 PolarHBondContact O-N 2.84Å; D179-I183 HydrophobicContact CB-CD1 4.2Å; D179-I183 HydrophobicContact CB-CG1 4.16Å; D179-I183 VanDerWaalsContact O-CG1 3.3Å; D179-I183 WeakPolarHBondContact O-CG1 3.41Å; D179-I183 PolarHBondContact O-N 2.94Å
180	Q	95.3	Very high	97	Very high	58 Å²	58	33.3 Å²	33.3	27%	0.271	17%	0.166	S	C	.	.	H	α-helix	trans	-53.1	-39	-169.6	68.5	-175.8	-11	0	0	114.2	L58 I177 S178	L58-Q180 HydrophobicContact CD2-CB 3.92Å; I177-Q180 WeakPolarHBondContact O-CB 3.3Å; I177-Q180 VanDerWaalsContact O-CG 3.23Å; I177-Q180 WeakPolarHBondContact O-CG 3.39Å; I177-Q180 PolarHBondContact O-N 3.09Å; I177-Q180 VanDerWaalsContact O-N 3.14Å; S178-Q180 VanDerWaalsContact C-N 3.35Å
181	L	98.2	Very high	97.1	Very high	25 Å²	25	32.9 Å²	32.9	13%	0.131	16%	0.163	C	C	.	.	H	α-helix	trans	-71.2	-44.9	176.1	-66.8	-179.4	0	0	0	110.9	G61 V62 K65 Y71 D179 I183 V184 F185	G61-L181 VanDerWaalsContact O-CD2 3.28Å; G61-L181 WeakPolarHBondContact O-CD2 3.37Å; V62-L181 HydrophobicContact CG1-CD2 4.18Å; K65-L181 HydrophobicContact CD-CD1 4.01Å; K65-L181 HydrophobicContact CD-CD2 3.8Å; Y71-L181 HydrophobicContact CD1-CB 4.21Å; Y71-L181 HydrophobicContact CD2-CB 4.43Å; Y71-L181 HydrophobicContact CG-CB 3.9Å; D179-L181 VanDerWaalsContact C-N 3.25Å; D179-L181 PolarHBondContact O-N 3.1Å; D179-L181 VanDerWaalsContact O-N 3.08Å; L181-I183 VanDerWaalsContact C-N 3.28Å; L181-I183 PolarHBondContact O-N 2.92Å; L181-V184 PolarHBondContact O-N 3.45Å; L181-F185 HydrophobicContact CB-CD2 4.49Å; L181-F185 HydrophobicContact CD2-CE2 4.11Å; L181-F185 WeakPolarHBondContact O-CB 3.43Å; L181-F185 PolarHBondContact O-N 2.94Å
182	A	98.6	Very high	97.2	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-64.9	-32.4	179.8	0	0	0	0	0	112.6	Y71 V77 D179 V184 K186 V187	Y71-A182 HydrophobicContact CD2-CB 3.87Å; Y71-A182 HydrophobicContact CE2-CB 4Å; V77-A182 HydrophobicContact CG1-CB 4.11Å; V77-A182 HydrophobicContact CG2-CB 3.97Å; D179-A182 CarbonylContact O-C 3.46Å; D179-A182 WeakPolarHBondContact O-CA 3.45Å; D179-A182 WeakPolarHBondContact O-CB 3.37Å; D179-A182 PolarHBondContact O-N 2.84Å; A182-V184 VanDerWaalsContact C-N 3.34Å; A182-V184 PolarHBondContact O-N 3.29Å; A182-K186 CarbonylContact O-C 3.36Å; A182-K186 WeakPolarHBondContact O-CA 3.35Å; A182-K186 WeakPolarHBondContact O-CB 2.77Å; A182-K186 PolarHBondContact O-N 3.38Å; A182-V187 PolarHBondContact O-N 2.77Å
183	I	98.8	Very high	97.3	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	16%	0.164	C	C	.	.	I	π-helix	trans	-57.7	-47.5	173.2	-69.5	170.7	0	0	0	110.2	F54 L58 L166 L175 D179 L181 V187 F188	F54-I183 HydrophobicContact CZ-CG2 4.25Å; L58-I183 HydrophobicContact CD1-CG2 3.75Å; L58-I183 HydrophobicContact CD2-CB 4.4Å; L58-I183 HydrophobicContact CD2-CD1 4.44Å; L58-I183 HydrophobicContact CD2-CG2 4.31Å; L166-I183 HydrophobicContact CD1-CG2 3.98Å; L175-I183 HydrophobicContact CB-CD1 4.24Å; L175-I183 HydrophobicContact CD1-CD1 3.91Å; L175-I183 HydrophobicContact CD1-CG1 4Å; L175-I183 HydrophobicContact CD2-CG1 4.36Å; L175-I183 HydrophobicContact CG-CD1 4.48Å; D179-I183 HydrophobicContact CB-CD1 4.2Å; D179-I183 HydrophobicContact CB-CG1 4.16Å; D179-I183 VanDerWaalsContact O-CG1 3.3Å; D179-I183 WeakPolarHBondContact O-CG1 3.41Å; D179-I183 PolarHBondContact O-N 2.94Å; L181-I183 VanDerWaalsContact C-N 3.28Å; L181-I183 PolarHBondContact O-N 2.92Å; I183-V187 WeakPolarHBondContact O-CB 3.3Å; I183-F188 WeakPolarHBondContact O-CB 3.39Å; I183-F188 PolarHBondContact O-N 2.74Å
184	V	98.8	Very high	97.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.145	C	C	.	.	I	π-helix	trans	-82.9	-57.1	-178.1	-175	0	0	0	0	111.4	L58 V62 L181 A182 K186 F188 N189 W225 M255	L58-V184 HydrophobicContact CB-CG2 3.85Å; L58-V184 HydrophobicContact CD1-CG2 3.88Å; L58-V184 HydrophobicContact CD2-CG2 4.24Å; L58-V184 HydrophobicContact CG-CG2 4.22Å; V62-V184 HydrophobicContact CG1-CB 3.7Å; V62-V184 HydrophobicContact CG1-CG1 3.89Å; V62-V184 HydrophobicContact CG1-CG2 3.8Å; L181-V184 PolarHBondContact O-N 3.45Å; A182-V184 VanDerWaalsContact C-N 3.34Å; A182-V184 PolarHBondContact O-N 3.29Å; V184-K186 VanDerWaalsContact C-N 3.32Å; V184-K186 PolarHBondContact O-N 3.41Å; V184-F188 WeakPolarHBondContact O-CB 3.25Å; V184-N189 PolarHBondContact O-N 3.32Å; V184-N189 VanDerWaalsContact O-N 3.09Å; V184-W225 HydrophobicContact CG1-CB 4Å; V184-W225 HydrophobicContact CG1-CD2 4.07Å; V184-W225 HydrophobicContact CG1-CE3 3.79Å; V184-W225 HydrophobicContact CG1-CG 4.21Å; V184-W225 HydrophobicContact CG2-CD2 4.24Å; V184-W225 HydrophobicContact CG2-CE3 4.29Å; V184-M255 HydrophobicContact CG1-CE 3.73Å; V184-M255 HydrophobicContact CG1-SD 4.31Å; V184-M255 WeakPolarHBondContact O-CE 3.35Å
185	F	98.8	Very high	97.5	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.018	14%	0.143	C	C	.	.	I	π-helix	trans	-75.2	-20.7	-168.9	-64.1	-12.7	0	0	0	113.6	V62 K65 K66 L67 Y71 L181 N189 Q229	V62-F185 HydrophobicContact CB-CE1 3.52Å; V62-F185 HydrophobicContact CB-CZ 3.5Å; V62-F185 VanDerWaalsContact CB-CZ 3.5Å; V62-F185 HydrophobicContact CG1-CD1 3.99Å; V62-F185 HydrophobicContact CG1-CE1 3.37Å; V62-F185 HydrophobicContact CG1-CE2 4.4Å; V62-F185 HydrophobicContact CG1-CZ 3.63Å; K65-F185 HydrophobicContact CB-CE2 3.79Å; K65-F185 HydrophobicContact CB-CZ 3.96Å; K65-F185 WeakPolarHBondContact O-CZ 2.98Å; K66-F185 VanDerWaalsContact O-CE2 3.23Å; K66-F185 WeakPolarHBondContact O-CE2 3.35Å; L67-F185 HydrophobicContact CD2-CB 3.83Å; L67-F185 HydrophobicContact CD2-CD1 3.51Å; L67-F185 HydrophobicContact CD2-CE1 4.2Å; L67-F185 HydrophobicContact CD2-CG 3.81Å; Y71-F185 HydrophobicContact CD1-CD2 4.2Å; Y71-F185 HydrophobicContact CE1-CB 3.9Å; Y71-F185 AromaticContact CE1-CD2 3.84Å; Y71-F185 HydrophobicContact CE1-CD2 3.84Å; Y71-F185 HydrophobicContact CE1-CG 4.4Å; Y71-F185 WeakPolarHBondContact OH-CB 3.13Å; L181-F185 HydrophobicContact CB-CD2 4.49Å; L181-F185 HydrophobicContact CD2-CE2 4.11Å; L181-F185 WeakPolarHBondContact O-CB 3.43Å; L181-F185 PolarHBondContact O-N 2.94Å; F185-N189 VanDerWaalsContact O-CB 3.24Å; F185-N189 WeakPolarHBondContact O-CB 3.17Å; F185-N189 PolarHBondContact O-ND2 3.3Å; F185-Q229 HydrophobicContact CE1-CG 3.92Å; F185-Q229 HydrophobicContact CZ-CG 4.04Å
186	K	98.5	Very high	97.6	Very high	73 Å²	73	31.6 Å²	31.6	32%	0.317	15%	0.146	S	C	.	.	I	π-helix	trans	-112.8	-61.4	179.6	-142.3	169.8	-178.6	174.2	0	112.3	Y71 V73 V77 L81 A182 V184 R190	Y71-K186 HydrophobicContact CE2-CB 4.3Å; Y71-K186 HydrophobicContact CE2-CD 4.28Å; V73-K186 HydrophobicContact CG1-CD 4.25Å; V73-K186 HydrophobicContact CG2-CD 3.91Å; V73-K186 VanDerWaalsContact CG2-NZ 3.31Å; V77-K186 HydrophobicContact CG1-CD 4.43Å; L81-K186 HydrophobicContact CD1-CD 3.86Å; L81-K186 HydrophobicContact CD1-CG 3.94Å; L81-K186 HydrophobicContact CD2-CG 4.25Å; A182-K186 CarbonylContact O-C 3.36Å; A182-K186 WeakPolarHBondContact O-CA 3.35Å; A182-K186 WeakPolarHBondContact O-CB 2.77Å; A182-K186 PolarHBondContact O-N 3.38Å; V184-K186 VanDerWaalsContact C-N 3.32Å; V184-K186 PolarHBondContact O-N 3.41Å; K186-R190 WeakPolarHBondContact O-CB 3.43Å; K186-R190 PolarHBondContact O-N 2.8Å
187	V	98.9	Very high	97.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.125	C	C	.	.	I	π-helix	trans	-70.7	-54.3	-173.8	-178.8	0	0	0	0	111.4	V77 L80 L84 F162 L166 A182 I183 R190 Y191	V77-V187 HydrophobicContact CG1-CG2 3.84Å; L80-V187 HydrophobicContact CB-CG1 4.19Å; L80-V187 HydrophobicContact CB-CG2 4.1Å; L80-V187 HydrophobicContact CD1-CG1 4.28Å; L80-V187 HydrophobicContact CD1-CG2 4.13Å; L84-V187 HydrophobicContact CD1-CG1 4.07Å; L84-V187 WeakPolarHBondContact CD1-O 2.9Å; F162-V187 HydrophobicContact CE1-CG1 4.44Å; F162-V187 HydrophobicContact CZ-CG1 4.16Å; L166-V187 HydrophobicContact CD2-CG1 3.9Å; A182-V187 PolarHBondContact O-N 2.77Å; I183-V187 WeakPolarHBondContact O-CB 3.3Å; V187-R190 PolarHBondContact O-N 3.44Å; V187-Y191 PolarHBondContact O-N 2.72Å
188	F	98.9	Very high	98.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.105	C	C	.	.	I	π-helix	trans	-66.8	-39.9	-179	-165.5	-96.4	0	0	0	111.7	E159 F162 L166 I183 V184 R190 Y191 L192 L221 P222 W225 M255	E159-F188 HydrophobicContact CG-CE2 4.37Å; E159-F188 HydrophobicContact CG-CZ 3.91Å; F162-F188 AromaticContact CD1-CD2 3.68Å; F162-F188 HydrophobicContact CD1-CD2 3.68Å; F162-F188 AromaticContact CD1-CE2 3.93Å; F162-F188 HydrophobicContact CD1-CE2 3.93Å; F162-F188 AromaticContact CE1-CD2 3.96Å; F162-F188 HydrophobicContact CE1-CD2 3.96Å; L166-F188 HydrophobicContact CD1-CD2 4.37Å; I183-F188 WeakPolarHBondContact O-CB 3.39Å; I183-F188 PolarHBondContact O-N 2.74Å; V184-F188 WeakPolarHBondContact O-CB 3.25Å; F188-R190 VanDerWaalsContact C-N 3.35Å; F188-R190 PolarHBondContact O-N 3.08Å; F188-Y191 HydrophobicContact CD2-CD1 4.19Å; F188-Y191 HydrophobicContact CE2-CD1 4.03Å; F188-Y191 HydrophobicContact CE2-CE1 4.21Å; F188-Y191 HydrophobicContact CZ-CD1 4.41Å; F188-Y191 WeakPolarHBondContact O-CB 3.1Å; F188-Y191 PolarHBondContact O-N 3.13Å; F188-Y191 VanDerWaalsContact O-N 3.14Å; F188-L192 HydrophobicContact CD1-CD1 3.87Å; F188-L192 HydrophobicContact CD1-CD2 4.47Å; F188-L192 HydrophobicContact CD1-CG 4.01Å; F188-L192 HydrophobicContact CE1-CD1 3.82Å; F188-L192 HydrophobicContact CE1-CD2 3.82Å; F188-L192 HydrophobicContact CE1-CG 3.85Å; F188-L192 HydrophobicContact CZ-CD2 4.23Å; F188-L192 WeakPolarHBondContact O-CG 3.23Å; F188-L192 PolarHBondContact O-N 3.04Å; F188-L221 HydrophobicContact CE1-CB 4.29Å; F188-L221 HydrophobicContact CE2-CD1 4.28Å; F188-L221 HydrophobicContact CZ-CB 3.86Å; F188-L221 HydrophobicContact CZ-CD1 4.2Å; F188-P222 HydrophobicContact CE1-CB 4.39Å; F188-W225 HydrophobicContact CB-CZ3 4.23Å; F188-W225 AromaticContact CD1-CE3 3.86Å; F188-W225 HydrophobicContact CD1-CE3 3.86Å; F188-W225 AromaticContact CD1-CZ3 3.51Å; F188-W225 HydrophobicContact CD1-CZ3 3.51Å; F188-W225 HydrophobicContact CD2-CH2 4.21Å; F188-W225 AromaticContact CD2-CZ3 3.62Å; F188-W225 HydrophobicContact CD2-CZ3 3.62Å; F188-W225 AromaticContact CE1-CE3 3.96Å; F188-W225 HydrophobicContact CE1-CE3 3.96Å; F188-W225 AromaticContact CE1-CZ3 3.61Å; F188-W225 HydrophobicContact CE1-CZ3 3.61Å; F188-W225 HydrophobicContact CE2-CH2 4.26Å; F188-W225 AromaticContact CE2-CZ3 3.73Å; F188-W225 HydrophobicContact CE2-CZ3 3.73Å; F188-W225 HydrophobicContact CG-CE3 4.24Å; F188-W225 HydrophobicContact CG-CH2 4.46Å; F188-W225 AromaticContact CG-CZ3 3.51Å; F188-W225 HydrophobicContact CG-CZ3 3.51Å; F188-W225 HydrophobicContact CZ-CE3 4.45Å; F188-W225 AromaticContact CZ-CZ3 3.73Å; F188-W225 HydrophobicContact CZ-CZ3 3.73Å; F188-M255 HydrophobicContact CD1-CE 4.23Å; F188-M255 HydrophobicContact CD1-SD 4.16Å
189	N	98.7	Very high	98.5	Very high	26 Å²	26	19.3 Å²	19.3	14%	0.139	9%	0.087	C	C	.	.	H	α-helix	trans	-56.8	-46.1	171.7	-169.5	32	0	0	0	112.3	V184 F185 Y191 L192 Q193 M255	V184-N189 PolarHBondContact O-N 3.32Å; V184-N189 VanDerWaalsContact O-N 3.09Å; F185-N189 VanDerWaalsContact O-CB 3.24Å; F185-N189 WeakPolarHBondContact O-CB 3.17Å; F185-N189 PolarHBondContact O-ND2 3.3Å; N189-Y191 VanDerWaalsContact C-N 3.3Å; N189-Y191 PolarHBondContact O-N 3.42Å; N189-L192 PolarHBondContact O-N 3.09Å; N189-Q193 WeakPolarHBondContact O-CG 3.29Å; N189-Q193 PolarHBondContact O-N 3.43Å; N189-Q193 VanDerWaalsContact O-N 3.16Å; N189-M255 HydrophobicContact CB-CE 4.12Å
190	R	98.8	Very high	98.5	Very high	49 Å²	49	25.1 Å²	25.1	19%	0.185	11%	0.109	C	C	.	.	H	α-helix	trans	-64.8	-33.6	175.9	-179.6	60.3	-175.8	91.3	-8.7	112.9	L81 L84 D88 K186 V187 F188 L194	L81-R190 HydrophobicContact CD2-CB 3.87Å; L81-R190 HydrophobicContact CD2-CG 4Å; L84-R190 HydrophobicContact CB-CG 3.99Å; L84-R190 HydrophobicContact CD1-CB 3.94Å; L84-R190 HydrophobicContact CD1-CG 3.81Å; D88-R190 IonicContact OD1-NH1 2.72Å; D88-R190 IonicContact OD1-NH2 3.65Å; D88-R190 PolarHBondContact OD1-NH2 2.71Å; K186-R190 WeakPolarHBondContact O-CB 3.43Å; K186-R190 PolarHBondContact O-N 2.8Å; V187-R190 PolarHBondContact O-N 3.44Å; F188-R190 VanDerWaalsContact C-N 3.35Å; F188-R190 PolarHBondContact O-N 3.08Å; R190-L194 PolarHBondContact O-N 2.86Å; R190-L194 VanDerWaalsContact O-N 3.11Å
191	Y	98.9	Very high	98.6	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-65.5	-44.5	173.3	164.3	-97.6	0	0	0	111.7	L84 A145 Y154 F162 V187 F188 N189 Q193 L194 M195	L84-Y191 HydrophobicContact CD2-CD2 4.49Å; A145-Y191 PolarHBondContact O-OH 3.27Å; Y154-Y191 WeakPolarHBondContact CE2-OH 3.23Å; Y154-Y191 PolarHBondContact OH-OH 3.25Å; F162-Y191 HydrophobicContact CB-CD2 4.37Å; F162-Y191 HydrophobicContact CB-CE1 3.96Å; F162-Y191 HydrophobicContact CB-CE2 3.8Å; F162-Y191 AromaticContact CD1-CD1 3.5Å; F162-Y191 HydrophobicContact CD1-CD1 3.5Å; F162-Y191 VanDerWaalsContact CD1-CD1 3.5Å; F162-Y191 AromaticContact CD1-CD2 3.67Å; F162-Y191 HydrophobicContact CD1-CD2 3.67Å; F162-Y191 AromaticContact CD1-CE1 3.82Å; F162-Y191 HydrophobicContact CD1-CE1 3.82Å; F162-Y191 AromaticContact CD1-CE2 3.97Å; F162-Y191 HydrophobicContact CD1-CE2 3.97Å; F162-Y191 AromaticContact CD1-CG 3.41Å; F162-Y191 HydrophobicContact CD1-CG 3.41Å; F162-Y191 VanDerWaalsContact CD1-CG 3.41Å; F162-Y191 AromaticContact CD2-CD2 3.53Å; F162-Y191 HydrophobicContact CD2-CD2 3.53Å; F162-Y191 AromaticContact CD2-CE2 3.56Å; F162-Y191 HydrophobicContact CD2-CE2 3.56Å; F162-Y191 HydrophobicContact CD2-CG 4.16Å; F162-Y191 AromaticContact CE1-CD1 3.85Å; F162-Y191 HydrophobicContact CE1-CD1 3.85Å; F162-Y191 AromaticContact CE1-CD2 3.74Å; F162-Y191 HydrophobicContact CE1-CD2 3.74Å; F162-Y191 HydrophobicContact CE1-CE2 4.48Å; F162-Y191 AromaticContact CE1-CG 3.37Å; F162-Y191 HydrophobicContact CE1-CG 3.37Å; F162-Y191 AromaticContact CE2-CD2 3.61Å; F162-Y191 HydrophobicContact CE2-CD2 3.61Å; F162-Y191 HydrophobicContact CE2-CE2 4.13Å; F162-Y191 HydrophobicContact CE2-CG 4.13Å; F162-Y191 HydrophobicContact CG-CD1 4.01Å; F162-Y191 AromaticContact CG-CD2 3.56Å; F162-Y191 HydrophobicContact CG-CD2 3.56Å; F162-Y191 AromaticContact CG-CE1 3.95Å; F162-Y191 HydrophobicContact CG-CE1 3.95Å; F162-Y191 AromaticContact CG-CE2 3.47Å; F162-Y191 HydrophobicContact CG-CE2 3.47Å; F162-Y191 VanDerWaalsContact CG-CE2 3.47Å; F162-Y191 AromaticContact CG-CG 3.82Å; F162-Y191 HydrophobicContact CG-CG 3.82Å; F162-Y191 AromaticContact CG-CZ 3.66Å; F162-Y191 AromaticContact CZ-CD2 3.72Å; F162-Y191 HydrophobicContact CZ-CD2 3.72Å; F162-Y191 AromaticContact CZ-CG 3.75Å; F162-Y191 HydrophobicContact CZ-CG 3.75Å; V187-Y191 PolarHBondContact O-N 2.72Å; F188-Y191 HydrophobicContact CD2-CD1 4.19Å; F188-Y191 HydrophobicContact CE2-CD1 4.03Å; F188-Y191 HydrophobicContact CE2-CE1 4.21Å; F188-Y191 HydrophobicContact CZ-CD1 4.41Å; F188-Y191 WeakPolarHBondContact O-CB 3.1Å; F188-Y191 PolarHBondContact O-N 3.13Å; F188-Y191 VanDerWaalsContact O-N 3.14Å; N189-Y191 VanDerWaalsContact C-N 3.3Å; N189-Y191 PolarHBondContact O-N 3.42Å; Y191-Q193 VanDerWaalsContact C-N 3.29Å; Y191-Q193 PolarHBondContact O-N 2.82Å; Y191-L194 WeakPolarHBondContact O-CB 3.39Å; Y191-L194 PolarHBondContact O-N 3.08Å; Y191-L194 VanDerWaalsContact O-N 3.1Å; Y191-M195 HydrophobicContact CD1-CG 4.19Å; Y191-M195 HydrophobicContact CD2-CE 3.95Å; Y191-M195 HydrophobicContact CD2-CG 4.05Å; Y191-M195 HydrophobicContact CD2-SD 4.4Å; Y191-M195 HydrophobicContact CE1-CG 3.74Å; Y191-M195 HydrophobicContact CE2-CE 3.63Å; Y191-M195 HydrophobicContact CE2-CG 3.6Å; Y191-M195 HydrophobicContact CE2-SD 3.63Å; Y191-M195 HydrophobicContact CG-CG 4.34Å; Y191-M195 VanDerWaalsContact CZ-CG 3.43Å; Y191-M195 WeakPolarHBondContact O-CG 3.48Å; Y191-M195 PolarHBondContact O-N 3.48Å
192	L	98.9	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.9	-42.1	175.7	-66.2	171	0	0	0	111.5	F188 N189 L194 M195 R196 Q219 P222 M255	F188-L192 HydrophobicContact CD1-CD1 3.87Å; F188-L192 HydrophobicContact CD1-CD2 4.47Å; F188-L192 HydrophobicContact CD1-CG 4.01Å; F188-L192 HydrophobicContact CE1-CD1 3.82Å; F188-L192 HydrophobicContact CE1-CD2 3.82Å; F188-L192 HydrophobicContact CE1-CG 3.85Å; F188-L192 HydrophobicContact CZ-CD2 4.23Å; F188-L192 WeakPolarHBondContact O-CG 3.23Å; F188-L192 PolarHBondContact O-N 3.04Å; N189-L192 PolarHBondContact O-N 3.09Å; L192-L194 VanDerWaalsContact C-N 3.35Å; L192-L194 PolarHBondContact O-N 3.31Å; L192-M195 PolarHBondContact O-N 3.28Å; L192-R196 WeakPolarHBondContact O-CB 3.47Å; L192-R196 VanDerWaalsContact O-CG 3.29Å; L192-R196 WeakPolarHBondContact O-CG 3.28Å; L192-R196 PolarHBondContact O-N 2.99Å; L192-Q219 HydrophobicContact CD2-CG 4.14Å; L192-P222 HydrophobicContact CD1-CB 3.76Å; L192-P222 HydrophobicContact CD1-CG 4.16Å; L192-P222 HydrophobicContact CD2-CG 4.12Å; L192-M255 HydrophobicContact CD1-CE 4.41Å; L192-M255 HydrophobicContact CD1-CG 4.12Å; L192-M255 HydrophobicContact CD1-SD 4.05Å
193	Q	98.8	Very high	98.5	Very high	88 Å²	88	30.6 Å²	30.6	41%	0.411	13%	0.129	S	C	.	.	H	α-helix	trans	-60.3	-43.2	174.8	-66.8	170.8	-3.6	0	0	112.2	N189 Y191 K197	N189-Q193 WeakPolarHBondContact O-CG 3.29Å; N189-Q193 PolarHBondContact O-N 3.43Å; N189-Q193 VanDerWaalsContact O-N 3.16Å; Y191-Q193 VanDerWaalsContact C-N 3.29Å; Y191-Q193 PolarHBondContact O-N 2.82Å; Q193-K197 WeakPolarHBondContact O-CB 3.36Å; Q193-K197 PolarHBondContact O-N 3.41Å
194	L	98.8	Very high	98.4	Very high	0 Å²	0	31 Å²	31	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.2	-47.9	174	178.5	69.9	0	0	0	110.9	L84 L87 D88 I91 R190 Y191 L192 K197 L198	L84-L194 HydrophobicContact CD2-CD2 4.01Å; L87-L194 HydrophobicContact CB-CD1 4.1Å; L87-L194 HydrophobicContact CB-CD2 3.69Å; L87-L194 HydrophobicContact CD1-CD2 3.85Å; L87-L194 HydrophobicContact CG-CD2 4.42Å; D88-L194 VanDerWaalsContact CA-CD1 3.49Å; D88-L194 HydrophobicContact CB-CD1 3.8Å; I91-L194 HydrophobicContact CD1-CD1 3.62Å; R190-L194 PolarHBondContact O-N 2.86Å; R190-L194 VanDerWaalsContact O-N 3.11Å; Y191-L194 WeakPolarHBondContact O-CB 3.39Å; Y191-L194 PolarHBondContact O-N 3.08Å; Y191-L194 VanDerWaalsContact O-N 3.1Å; L192-L194 VanDerWaalsContact C-N 3.35Å; L192-L194 PolarHBondContact O-N 3.31Å; L194-K197 WeakPolarHBondContact O-CB 3.36Å; L194-K197 PolarHBondContact O-N 3.21Å; L194-K197 VanDerWaalsContact O-N 3.17Å; L194-L198 HydrophobicContact CG-CD1 4.45Å; L194-L198 PolarHBondContact O-N 3.46Å
195	M	98.8	Very high	98.3	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-63.7	-44.6	-178.7	-66.3	-54.3	100	0	0	111.6	V146 Y154 Y191 L192 K197 L198 Q199	V146-M195 HydrophobicContact CB-CE 4.24Å; V146-M195 HydrophobicContact CB-SD 4.38Å; V146-M195 HydrophobicContact CG1-CE 3.86Å; V146-M195 HydrophobicContact CG1-SD 4.43Å; Y154-M195 HydrophobicContact CD2-SD 4.02Å; Y154-M195 HydrophobicContact CE2-CG 4.01Å; Y154-M195 HydrophobicContact CE2-SD 3.46Å; Y154-M195 WeakPolarHBondContact CE2-SD 3.32Å; Y191-M195 HydrophobicContact CD1-CG 4.19Å; Y191-M195 HydrophobicContact CD2-CE 3.95Å; Y191-M195 HydrophobicContact CD2-CG 4.05Å; Y191-M195 HydrophobicContact CD2-SD 4.4Å; Y191-M195 HydrophobicContact CE1-CG 3.74Å; Y191-M195 HydrophobicContact CE2-CE 3.63Å; Y191-M195 HydrophobicContact CE2-CG 3.6Å; Y191-M195 HydrophobicContact CE2-SD 3.63Å; Y191-M195 HydrophobicContact CG-CG 4.34Å; Y191-M195 VanDerWaalsContact CZ-CG 3.43Å; Y191-M195 WeakPolarHBondContact O-CG 3.48Å; Y191-M195 PolarHBondContact O-N 3.48Å; L192-M195 PolarHBondContact O-N 3.28Å; M195-K197 PolarHBondContact O-N 2.93Å; M195-L198 HydrophobicContact CE-CD1 3.5Å; M195-L198 VanDerWaalsContact CE-CD1 3.5Å; M195-L198 PolarHBondContact O-N 3.07Å; M195-L198 VanDerWaalsContact O-N 3.15Å; M195-L198 HydrophobicContact SD-CD1 4.09Å; M195-Q199 WeakPolarHBondContact O-CB 3.42Å; M195-Q199 VanDerWaalsContact O-CD 3.3Å; M195-Q199 WeakPolarHBondContact O-CG 3.44Å; M195-Q199 PolarHBondContact O-N 3.14Å
196	R	98.8	Very high	98.1	Very high	19 Å²	19	36.8 Å²	36.8	7%	0.072	16%	0.163	C	C	.	.	H	α-helix	trans	-60.3	-34.3	174.4	-69.4	174.9	-170.7	153.9	6.8	112.3	L192 R200 D258 C259 F262	L192-R196 WeakPolarHBondContact O-CB 3.47Å; L192-R196 VanDerWaalsContact O-CG 3.29Å; L192-R196 WeakPolarHBondContact O-CG 3.28Å; L192-R196 PolarHBondContact O-N 2.99Å; R196-R200 WeakPolarHBondContact O-CB 3.48Å; R196-R200 WeakPolarHBondContact O-CG 3.27Å; R196-R200 PolarHBondContact O-N 3.42Å; R196-R200 VanDerWaalsContact O-N 3.16Å; R196-R200 PolarHBondContact O-NE 3.35Å; R196-D258 IonicContact CZ-OD2 3.82Å; R196-D258 IonicContact NH1-OD1 3.61Å; R196-D258 IonicContact NH1-OD2 2.91Å; R196-D258 PolarHBondContact NH1-OD2 3.47Å; R196-D258 PolarHBondContact NH2-O 3.19Å; R196-D258 IonicContact NH2-OD2 2.79Å; R196-D258 PolarHBondContact NH2-OD2 3.47Å; R196-C259 PolarHBondContact NH2-SG 3.28Å; R196-F262 HydrophobicContact CB-CD2 4.19Å; R196-F262 HydrophobicContact CB-CE2 3.72Å; R196-F262 HydrophobicContact CB-CZ 3.92Å; R196-F262 HydrophobicContact CG-CD1 3.99Å; R196-F262 HydrophobicContact CG-CD2 3.83Å; R196-F262 HydrophobicContact CG-CE1 3.87Å; R196-F262 HydrophobicContact CG-CE2 3.7Å; R196-F262 HydrophobicContact CG-CG 3.95Å; R196-F262 HydrophobicContact CG-CZ 3.72Å
197	K	98.8	Very high	97.8	Very high	45 Å²	45	34.4 Å²	34.4	20%	0.196	16%	0.157	C	C	.	.	H	α-helix	trans	-69.9	-43.9	174.4	-168.8	179.4	177.3	-172.4	0	111.4	D88 I91 N92 Q193 L194 M195 T201	D88-K197 VanDerWaalsContact OD1-CD 3.23Å; D88-K197 WeakPolarHBondContact OD1-CD 3.48Å; D88-K197 IonicContact OD1-NZ 3.41Å; D88-K197 PolarHBondContact OD1-NZ 3.02Å; D88-K197 IonicContact OD2-NZ 3.51Å; D88-K197 PolarHBondContact OD2-NZ 2.87Å; I91-K197 HydrophobicContact CD1-CB 4.24Å; I91-K197 HydrophobicContact CD1-CD 3.95Å; I91-K197 HydrophobicContact CD1-CG 4.06Å; I91-K197 HydrophobicContact CG2-CD 4.45Å; I91-K197 HydrophobicContact CG2-CG 4.39Å; N92-K197 PolarHBondContact OD1-NZ 2.9Å; Q193-K197 WeakPolarHBondContact O-CB 3.36Å; Q193-K197 PolarHBondContact O-N 3.41Å; L194-K197 WeakPolarHBondContact O-CB 3.36Å; L194-K197 PolarHBondContact O-N 3.21Å; L194-K197 VanDerWaalsContact O-N 3.17Å; M195-K197 PolarHBondContact O-N 2.93Å; K197-T201 WeakPolarHBondContact O-CB 3.46Å; K197-T201 PolarHBondContact O-N 3.4Å; K197-T201 PolarHBondContact O-OG1 2.88Å
198	L	98.7	Very high	96.8	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-60.2	-49.4	174.4	-72.3	172.8	0	0	0	111.8	I91 Y108 W111 L194 M195 R200 T201 Y202 M204	I91-L198 HydrophobicContact CD1-CD2 3.48Å; I91-L198 VanDerWaalsContact CD1-CD2 3.48Å; I91-L198 HydrophobicContact CD1-CG 3.72Å; I91-L198 HydrophobicContact CG1-CD2 3.65Å; I91-L198 HydrophobicContact CG1-CG 4.43Å; Y108-L198 HydrophobicContact CE2-CD2 4.48Å; W111-L198 HydrophobicContact CD2-CD2 3.88Å; W111-L198 HydrophobicContact CE3-CD2 4.1Å; W111-L198 HydrophobicContact CG-CD2 4.46Å; W111-L198 HydrophobicContact CH2-CD1 3.61Å; W111-L198 HydrophobicContact CH2-CD2 4.16Å; W111-L198 HydrophobicContact CZ2-CD1 3.91Å; W111-L198 HydrophobicContact CZ2-CD2 3.92Å; W111-L198 HydrophobicContact CZ2-CG 4.47Å; W111-L198 HydrophobicContact CZ3-CD1 4.02Å; W111-L198 HydrophobicContact CZ3-CD2 4.23Å; L194-L198 HydrophobicContact CG-CD1 4.45Å; L194-L198 PolarHBondContact O-N 3.46Å; M195-L198 HydrophobicContact CE-CD1 3.5Å; M195-L198 VanDerWaalsContact CE-CD1 3.5Å; M195-L198 PolarHBondContact O-N 3.07Å; M195-L198 VanDerWaalsContact O-N 3.15Å; M195-L198 HydrophobicContact SD-CD1 4.09Å; L198-R200 VanDerWaalsContact C-N 3.34Å; L198-R200 PolarHBondContact O-N 3.22Å; L198-T201 PolarHBondContact O-N 3.27Å; L198-Y202 HydrophobicContact CD2-CD2 3.7Å; L198-Y202 HydrophobicContact CD2-CE2 3.5Å; L198-Y202 VanDerWaalsContact CD2-CE2 3.5Å; L198-Y202 PolarHBondContact O-N 3Å; L198-M204 HydrophobicContact CB-SD 3.81Å
199	Q	97.9	Very high	95.4	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.037	20%	0.204	C	C	.	.	H	α-helix	trans	-55.4	-47.8	179.7	-71.5	158.2	3.2	0	0	111.5	M195 R203 M204 F218	M195-Q199 WeakPolarHBondContact O-CB 3.42Å; M195-Q199 VanDerWaalsContact O-CD 3.3Å; M195-Q199 WeakPolarHBondContact O-CG 3.44Å; M195-Q199 PolarHBondContact O-N 3.14Å; Q199-R203 CarbonylContact O-C 3.32Å; Q199-R203 WeakPolarHBondContact O-CA 3.37Å; Q199-R203 PolarHBondContact O-N 3.49Å; Q199-M204 PolarHBondContact O-N 3.1Å; Q199-M204 VanDerWaalsContact O-N 3.08Å; Q199-F218 HydrophobicContact CB-CE2 4.42Å; Q199-F218 HydrophobicContact CB-CZ 4.42Å; Q199-F218 HydrophobicContact CG-CD1 4.34Å; Q199-F218 HydrophobicContact CG-CD2 4.32Å; Q199-F218 HydrophobicContact CG-CE1 4.18Å; Q199-F218 HydrophobicContact CG-CE2 4.18Å; Q199-F218 HydrophobicContact CG-CG 4.39Å; Q199-F218 HydrophobicContact CG-CZ 4.1Å
200	R	97.3	Very high	94.2	Very high	127 Å²	127	42.4 Å²	42.4	48%	0.479	22%	0.216	S	C	.	.	H	α-helix	trans	-69.8	-50.6	177.3	-71.6	-176.6	-68.8	-178.5	0.5	112.7	R196 L198 Y202 R203 F262 E265 M266	R196-R200 WeakPolarHBondContact O-CB 3.48Å; R196-R200 WeakPolarHBondContact O-CG 3.27Å; R196-R200 PolarHBondContact O-N 3.42Å; R196-R200 VanDerWaalsContact O-N 3.16Å; R196-R200 PolarHBondContact O-NE 3.35Å; L198-R200 VanDerWaalsContact C-N 3.34Å; L198-R200 PolarHBondContact O-N 3.22Å; R200-Y202 PolarHBondContact O-N 3.04Å; R200-R203 PolarHBondContact O-N 3.3Å; R200-F262 HydrophobicContact CG-CE2 4.35Å; R200-E265 IonicContact NH1-OE2 3.11Å; R200-M266 HydrophobicContact CG-CE 4.42Å; R200-M266 HydrophobicContact CG-SD 3.86Å
201	T	98.1	Very high	93.1	Very high	38 Å²	38	41.8 Å²	41.8	23%	0.233	23%	0.225	C	C	.	.	H	α-helix	trans	-63.8	-44.6	-173.2	-56.1	0	0	0	0	111.1	I91 P96 K197 L198	I91-T201 HydrophobicContact CG2-CG2 3.8Å; P96-T201 HydrophobicContact CG-CG2 3.63Å; P96-T201 WeakPolarHBondContact CG-O 3.5Å; K197-T201 WeakPolarHBondContact O-CB 3.46Å; K197-T201 PolarHBondContact O-N 3.4Å; K197-T201 PolarHBondContact O-OG1 2.88Å; L198-T201 PolarHBondContact O-N 3.27Å
202	Y	98.2	Very high	91.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-102.8	8.5	-176.6	-56.6	-55	0	0	0	114.1	I91 T94 N105 A107 Y108 W111 L198 R200 M204	I91-Y202 HydrophobicContact CG2-CE2 4.25Å; T94-Y202 VanDerWaalsContact O-CE1 3.32Å; T94-Y202 WeakPolarHBondContact O-CE1 3.34Å; T94-Y202 PolarHBondContact O-OH 2.8Å; N105-Y202 HydrophobicContact CB-CD1 4.32Å; N105-Y202 PolarHBondContact N-O 3.17Å; A107-Y202 HydrophobicContact CB-CD1 4.03Å; A107-Y202 HydrophobicContact CB-CE1 3.67Å; Y108-Y202 AromaticContact CD2-CD2 3.69Å; Y108-Y202 HydrophobicContact CD2-CD2 3.69Å; Y108-Y202 HydrophobicContact CD2-CE2 4.22Å; Y108-Y202 HydrophobicContact CD2-CG 4.31Å; Y108-Y202 HydrophobicContact CG-CD2 4.32Å; W111-Y202 HydrophobicContact CB-CE2 4.12Å; W111-Y202 HydrophobicContact CG-CE2 4.15Å; L198-Y202 HydrophobicContact CD2-CD2 3.7Å; L198-Y202 HydrophobicContact CD2-CE2 3.5Å; L198-Y202 VanDerWaalsContact CD2-CE2 3.5Å; L198-Y202 PolarHBondContact O-N 3Å; R200-Y202 PolarHBondContact O-N 3.04Å; Y202-M204 PolarHBondContact O-N 2.82Å
203	R	96.8	Very high	90.5	Very high	160 Å²	160	52.1 Å²	52.1	60%	0.604	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	45.9	177.7	-54.7	178.5	-176.4	178.5	0.4	111.9	G104 Q199 R200	G104-R203 WeakPolarHBondContact CA-O 3.21Å; Q199-R203 CarbonylContact O-C 3.32Å; Q199-R203 WeakPolarHBondContact O-CA 3.37Å; Q199-R203 PolarHBondContact O-N 3.49Å; R200-R203 PolarHBondContact O-N 3.3Å
204	M	96.8	Very high	89.9	Confident	10 Å²	10	48.7 Å²	48.7	5%	0.049	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-65.4	140.2	-174.9	-58.9	-179	75.3	0	0	110.5	Y108 I152 D153 L198 Q199 Y202	Y108-M204 HydrophobicContact CD2-CE 4.22Å; Y108-M204 HydrophobicContact CD2-SD 4.26Å; Y108-M204 HydrophobicContact CE1-CE 4Å; Y108-M204 HydrophobicContact CE2-CE 3.67Å; Y108-M204 HydrophobicContact CE2-SD 4.04Å; I152-M204 HydrophobicContact CG2-CG 4.32Å; I152-M204 WeakPolarHBondContact O-CA 3.46Å; D153-M204 WeakPolarHBondContact O-CE 3.32Å; L198-M204 HydrophobicContact CB-SD 3.81Å; Q199-M204 PolarHBondContact O-N 3.1Å; Q199-M204 VanDerWaalsContact O-N 3.08Å; Y202-M204 PolarHBondContact O-N 2.82Å
205	E	95.5	Very high	89.6	Confident	74 Å²	74	49.1 Å²	49.1	35%	0.346	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	148.7	179	-66	-178.3	84.9	0	0	111.2	F103 I152 D153 Y154 A207	F103-E205 VanDerWaalsContact CD1-OE1 3.3Å; F103-E205 WeakPolarHBondContact CD1-OE1 3.5Å; I152-E205 PolarHBondContact O-N 3.11Å; D153-E205 CarbonylContact C-O 3.58Å; D153-E205 WeakPolarHBondContact CA-O 3.34Å; D153-E205 HydrophobicContact CB-CB 4.18Å; D153-E205 WeakPolarHBondContact CB-O 3.28Å; Y154-E205 PolarHBondContact N-O 3.42Å; E205-A207 PolarHBondContact O-N 3.09Å
206	P	94.9	Very high	89.5	Confident	52 Å²	52	50.2 Å²	50.2	34%	0.338	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	116.8	171.2	-25.3	37.2	0	0	0	112.2	G208 D217 F218	P206-G208 PolarHBondContact O-N 3.4Å; P206-D217 HydrophobicContact CB-CB 4.05Å; P206-D217 WeakPolarHBondContact CB-O 3.49Å; P206-D217 HydrophobicContact CG-CB 3.83Å; P206-F218 HydrophobicContact CB-CD1 4.5Å; P206-F218 HydrophobicContact CB-CE1 4.13Å; P206-F218 HydrophobicContact CG-CE1 3.87Å; P206-F218 HydrophobicContact CG-CZ 3.9Å
207	A	91.9	Very high	89.3	Confident	23 Å²	23	50.9 Å²	50.9	19%	0.19	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	113.4	178.1	0	0	0	0	0	110.2	D153 Y154 E205 S209	D153-A207 HydrophobicContact CB-CB 3.94Å; Y154-A207 WeakPolarHBondContact O-CB 3.49Å; Y154-A207 PolarHBondContact O-N 3.24Å; E205-A207 PolarHBondContact O-N 3.09Å; A207-S209 VanDerWaalsContact C-N 3.28Å; A207-S209 PolarHBondContact O-N 3.26Å
208	G	78.9	Confident	89.2	Confident	64 Å²	64	49.5 Å²	49.5	66%	0.66	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	18.1	178.2	0	0	0	0	0	114.5	P206	P206-G208 PolarHBondContact O-N 3.4Å
209	S	69.8	Low	89.2	Confident	47 Å²	47	49.8 Å²	49.8	33%	0.329	27%	0.267	S	S	.	.			trans	-60	138	175.6	175.8	0	0	0	0	111	A207 G211 D217	A207-S209 VanDerWaalsContact C-N 3.28Å; A207-S209 PolarHBondContact O-N 3.26Å; S209-G211 VanDerWaalsContact C-N 3.3Å; S209-G211 PolarHBondContact OG-N 3.01Å; S209-D217 PolarHBondContact OG-OD1 2.86Å
210	Q	72.4	Confident	89.2	Confident	83 Å²	83	49.9 Å²	49.9	39%	0.388	27%	0.267	S	S	.	.			trans	-96.6	15.6	170.5	-55.7	-180	8.1	0	0	111.1	V212 W213 E301	Q210-V212 PolarHBondContact O-N 3.36Å; Q210-W213 HydrophobicContact CB-CB 3.89Å; Q210-W213 PolarHBondContact O-N 3.11Å; Q210-E301 PolarHBondContact NE2-OE2 2.94Å
211	G	75.6	Confident	89.3	Confident	37 Å²	37	43.8 Å²	43.8	38%	0.381	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	57.4	-128	-172.2	0	0	0	0	0	110.8	S209 W213 G214	S209-G211 VanDerWaalsContact C-N 3.3Å; S209-G211 PolarHBondContact OG-N 3.01Å; G211-W213 PolarHBondContact O-N 3.05Å; G211-G214 PolarHBondContact O-N 3.5Å
212	V	69.9	Low	89.3	Confident	58 Å²	58	42 Å²	42	35%	0.352	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-60.3	-14.3	179.8	-59.1	0	0	0	0	114.7	Q210 E273 N276	Q210-V212 PolarHBondContact O-N 3.36Å; V212-E273 WeakPolarHBondContact CG1-O 3.47Å; V212-N276 HydrophobicContact CB-CB 4.49Å
213	W	73.8	Confident	89.3	Confident	160 Å²	160	42 Å²	42	61%	0.606	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-92.2	-11.9	178.5	-54	107.5	0	0	0	113.5	Q210 G211 Q277	Q210-W213 HydrophobicContact CB-CB 3.89Å; Q210-W213 PolarHBondContact O-N 3.11Å; G211-W213 PolarHBondContact O-N 3.05Å; W213-Q277 WeakPolarHBondContact O-CG 3.42Å
214	G	85.7	Confident	89.4	Confident	15 Å²	15	34.4 Å²	34.4	16%	0.155	20%	0.204	C	C	.	.	S	Bend	trans	-80.8	160.7	171	0	0	0	0	0	111.6	G211 Q277	G211-G214 PolarHBondContact O-N 3.5Å; G214-Q277 WeakPolarHBondContact O-CB 3.47Å; G214-Q277 WeakPolarHBondContact O-CG 2.87Å
215	L	94.1	Very high	89.5	Confident	9 Å²	9	33.9 Å²	33.9	5%	0.047	20%	0.202	C	C	.	.	S	Bend	trans	-66.9	-50.6	173.3	-178.9	68.3	0	0	0	110.9	F220 F223 L278 I281 L294 M297	L215-F220 HydrophobicContact CB-CD2 4.4Å; L215-F220 HydrophobicContact CB-CE2 4.2Å; L215-F220 HydrophobicContact CD2-CD1 3.81Å; L215-F220 HydrophobicContact CD2-CD2 3.87Å; L215-F220 HydrophobicContact CD2-CE1 3.69Å; L215-F220 HydrophobicContact CD2-CE2 3.8Å; L215-F220 HydrophobicContact CD2-CG 3.88Å; L215-F220 HydrophobicContact CD2-CZ 3.68Å; L215-F223 HydrophobicContact CD2-CB 4.1Å; L215-F223 HydrophobicContact CD2-CD2 3.77Å; L215-F223 HydrophobicContact CD2-CG 4.1Å; L215-F223 HydrophobicContact CG-CD2 4.24Å; L215-L278 HydrophobicContact CD1-CD2 3.63Å; L215-L278 HydrophobicContact CD1-CG 3.99Å; L215-L278 HydrophobicContact CG-CD2 4.33Å; L215-L278 VanDerWaalsContact O-CD1 3.23Å; L215-L278 WeakPolarHBondContact O-CD1 3.31Å; L215-L278 WeakPolarHBondContact O-CG 3.15Å; L215-I281 HydrophobicContact CD1-CD1 3.48Å; L215-I281 VanDerWaalsContact CD1-CD1 3.48Å; L215-L294 HydrophobicContact CD1-CD2 3.82Å; L215-L294 HydrophobicContact CD2-CD2 3.73Å; L215-L294 HydrophobicContact CG-CD2 4.46Å; L215-M297 HydrophobicContact CB-CE 4.07Å
216	D	95.9	Very high	89.7	Confident	24 Å²	24	30.4 Å²	30.4	13%	0.128	19%	0.186	C	C	.	.			trans	-148.6	162.2	176.2	172.8	-109.6	0	0	0	108.1	F218 Q219 F223	D216-F218 VanDerWaalsContact C-N 3.29Å; D216-F218 PolarHBondContact O-N 3.22Å; D216-F218 PolarHBondContact OD1-N 3.39Å; D216-Q219 WeakPolarHBondContact CB-O 3.43Å; D216-Q219 PolarHBondContact OD1-N 3.5Å; D216-F223 HydrophobicContact CB-CE2 3.55Å; D216-F223 HydrophobicContact CB-CZ 3.97Å
217	D	94.6	Very high	89.9	Confident	33 Å²	33	27.9 Å²	27.9	18%	0.176	17%	0.169	C	C	.	.	S	Bend	trans	-68.5	-29.6	-179.2	-75.3	-31.9	0	0	0	112.8	P206 S209 K267	P206-D217 HydrophobicContact CB-CB 4.05Å; P206-D217 WeakPolarHBondContact CB-O 3.49Å; P206-D217 HydrophobicContact CG-CB 3.83Å; S209-D217 PolarHBondContact OG-OD1 2.86Å; D217-K267 IonicContact OD1-NZ 3.99Å; D217-K267 WeakPolarHBondContact OD2-CE 3.46Å; D217-K267 IonicContact OD2-NZ 3.93Å; D217-K267 PolarHBondContact OD2-NZ 3.01Å
218	F	96.5	Very high	90.2	Very high	17 Å²	17	26.8 Å²	26.8	8%	0.075	16%	0.16	C	C	.	.	S	Bend	trans	-126.3	-40.7	-168.8	-63	-61.3	0	0	0	114.2	Y154 G155 T156 Q199 P206 D216	Y154-F218 HydrophobicContact CD1-CB 3.87Å; Y154-F218 AromaticContact CD1-CD1 3.85Å; Y154-F218 HydrophobicContact CD1-CD1 3.85Å; Y154-F218 HydrophobicContact CD1-CG 4.22Å; Y154-F218 HydrophobicContact CE1-CB 4.06Å; Y154-F218 WeakPolarHBondContact O-CD1 3.46Å; G155-F218 CarbonylContact C-O 3.6Å; G155-F218 VanDerWaalsContact C-O 3.32Å; T156-F218 PolarHBondContact N-O 2.78Å; Q199-F218 HydrophobicContact CB-CE2 4.42Å; Q199-F218 HydrophobicContact CB-CZ 4.42Å; Q199-F218 HydrophobicContact CG-CD1 4.34Å; Q199-F218 HydrophobicContact CG-CD2 4.32Å; Q199-F218 HydrophobicContact CG-CE1 4.18Å; Q199-F218 HydrophobicContact CG-CE2 4.18Å; Q199-F218 HydrophobicContact CG-CG 4.39Å; Q199-F218 HydrophobicContact CG-CZ 4.1Å; P206-F218 HydrophobicContact CB-CD1 4.5Å; P206-F218 HydrophobicContact CB-CE1 4.13Å; P206-F218 HydrophobicContact CG-CE1 3.87Å; P206-F218 HydrophobicContact CG-CZ 3.9Å; D216-F218 VanDerWaalsContact C-N 3.29Å; D216-F218 PolarHBondContact O-N 3.22Å; D216-F218 PolarHBondContact OD1-N 3.39Å
219	Q	97.9	Very high	91.2	Very high	7 Å²	7	23.9 Å²	23.9	3%	0.033	13%	0.13	C	C	.	.			trans	-117.6	157.8	-163.9	-50	-56.3	-9.4	0	0	113.1	Y154 E159 L192 D216 P222	Y154-Q219 VanDerWaalsContact CE1-NE2 3.26Å; Y154-Q219 PolarHBondContact OH-NE2 2.85Å; Y154-Q219 PolarHBondContact OH-OE1 2.93Å; Y154-Q219 VanDerWaalsContact OH-OE1 3.13Å; E159-Q219 WeakPolarHBondContact OE1-CB 3.4Å; E159-Q219 PolarHBondContact OE1-OE1 3.1Å; L192-Q219 HydrophobicContact CD2-CG 4.14Å; D216-Q219 WeakPolarHBondContact CB-O 3.43Å; D216-Q219 PolarHBondContact OD1-N 3.5Å; Q219-P222 HydrophobicContact CB-CG 3.76Å; Q219-P222 HydrophobicContact CG-CG 4.48Å
220	F	98.6	Very high	92.5	Very high	9 Å²	9	21.7 Å²	21.7	4%	0.039	11%	0.114	C	C	.	.	S	Bend	trans	-138.5	-50.9	172.9	-154.8	-58.9	0	0	0	111.9	T156 E159 L215 F223 I224 L294 M297 Y298	T156-F220 HydrophobicContact CG2-CB 3.89Å; E159-F220 VanDerWaalsContact CD-N 3.35Å; E159-F220 PolarHBondContact OE1-N 3.04Å; E159-F220 VanDerWaalsContact OE1-N 3.12Å; E159-F220 PolarHBondContact OE2-N 3.24Å; L215-F220 HydrophobicContact CB-CD2 4.4Å; L215-F220 HydrophobicContact CB-CE2 4.2Å; L215-F220 HydrophobicContact CD2-CD1 3.81Å; L215-F220 HydrophobicContact CD2-CD2 3.87Å; L215-F220 HydrophobicContact CD2-CE1 3.69Å; L215-F220 HydrophobicContact CD2-CE2 3.8Å; L215-F220 HydrophobicContact CD2-CG 3.88Å; L215-F220 HydrophobicContact CD2-CZ 3.68Å; F220-F223 WeakPolarHBondContact O-CB 3.44Å; F220-F223 PolarHBondContact O-N 3.38Å; F220-I224 HydrophobicContact CD1-CD1 3.79Å; F220-I224 HydrophobicContact CD1-CG1 4.1Å; F220-I224 HydrophobicContact CE1-CD1 3.96Å; F220-I224 HydrophobicContact CE1-CG1 4.11Å; F220-I224 PolarHBondContact O-N 3.13Å; F220-L294 HydrophobicContact CE1-CB 4.32Å; F220-L294 HydrophobicContact CE1-CD2 4.18Å; F220-L294 WeakPolarHBondContact CE1-O 3.47Å; F220-L294 HydrophobicContact CZ-CD2 4.41Å; F220-M297 HydrophobicContact CE2-CG 4.08Å; F220-M297 HydrophobicContact CE2-SD 4.35Å; F220-M297 HydrophobicContact CZ-CB 3.86Å; F220-M297 HydrophobicContact CZ-CG 3.71Å; F220-M297 HydrophobicContact CZ-SD 4.01Å; F220-Y298 HydrophobicContact CB-CD2 3.85Å; F220-Y298 HydrophobicContact CB-CE2 3.97Å; F220-Y298 AromaticContact CD1-CD2 3.49Å; F220-Y298 HydrophobicContact CD1-CD2 3.49Å; F220-Y298 VanDerWaalsContact CD1-CD2 3.49Å; F220-Y298 HydrophobicContact CD1-CE2 4.38Å; F220-Y298 HydrophobicContact CD1-CG 4.02Å; F220-Y298 AromaticContact CD2-CD2 3.94Å; F220-Y298 HydrophobicContact CD2-CD2 3.94Å; F220-Y298 HydrophobicContact CE1-CD2 4.04Å; F220-Y298 HydrophobicContact CE1-CG 4.21Å; F220-Y298 HydrophobicContact CE2-CD2 4.39Å; F220-Y298 AromaticContact CG-CD2 3.47Å; F220-Y298 HydrophobicContact CG-CD2 3.47Å; F220-Y298 VanDerWaalsContact CG-CD2 3.47Å; F220-Y298 HydrophobicContact CG-CE2 4.12Å; F220-Y298 HydrophobicContact CG-CG 4.42Å; F220-Y298 HydrophobicContact CZ-CD2 4.45Å
221	L	98.9	Very high	93.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-52.5	-38.8	-177.2	-66.8	-179.5	0	0	0	115.3	I55 E159 A163 F188 F223 I224 W225 Y298	I55-L221 HydrophobicContact CD1-CD1 3.9Å; I55-L221 HydrophobicContact CD1-CD2 3.74Å; I55-L221 HydrophobicContact CG1-CD2 4.26Å; I55-L221 HydrophobicContact CG2-CD2 4.02Å; E159-L221 HydrophobicContact CG-CB 4.41Å; E159-L221 HydrophobicContact CG-CD1 4.1Å; E159-L221 HydrophobicContact CG-CG 4.3Å; E159-L221 PolarHBondContact OE1-N 2.94Å; E159-L221 PolarHBondContact OE2-N 3.12Å; A163-L221 HydrophobicContact CB-CD1 3.62Å; F188-L221 HydrophobicContact CE1-CB 4.29Å; F188-L221 HydrophobicContact CE2-CD1 4.28Å; F188-L221 HydrophobicContact CZ-CB 3.86Å; F188-L221 HydrophobicContact CZ-CD1 4.2Å; L221-F223 PolarHBondContact O-N 3.23Å; L221-I224 HydrophobicContact CD2-CD1 4.18Å; L221-I224 WeakPolarHBondContact O-CB 3.37Å; L221-I224 PolarHBondContact O-N 2.87Å; L221-W225 HydrophobicContact CB-CE3 4.23Å; L221-W225 HydrophobicContact CB-CH2 4.36Å; L221-W225 HydrophobicContact CB-CZ3 4.07Å; L221-W225 HydrophobicContact CD1-CH2 3.98Å; L221-W225 HydrophobicContact CD1-CZ2 4.49Å; L221-W225 HydrophobicContact CD1-CZ3 4.37Å; L221-W225 PolarHBondContact O-N 2.67Å; L221-Y298 HydrophobicContact CD2-CD1 4.37Å; L221-Y298 HydrophobicContact CD2-CE1 3.74Å; L221-Y298 HydrophobicContact CD2-CE2 4.06Å; L221-Y298 HydrophobicContact CG-CE2 4.42Å
222	P	98.9	Very high	94.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.2	-24	178.3	25.1	-34	0	0	0	113.3	E159 F188 L192 Q219 G226 M255 C259	E159-P222 WeakPolarHBondContact OE1-CD 3.37Å; F188-P222 HydrophobicContact CE1-CB 4.39Å; L192-P222 HydrophobicContact CD1-CB 3.76Å; L192-P222 HydrophobicContact CD1-CG 4.16Å; L192-P222 HydrophobicContact CD2-CG 4.12Å; Q219-P222 HydrophobicContact CB-CG 3.76Å; Q219-P222 HydrophobicContact CG-CG 4.48Å; P222-G226 WeakPolarHBondContact O-CA 3.48Å; P222-G226 PolarHBondContact O-N 2.79Å; P222-M255 HydrophobicContact CB-CG 3.6Å; P222-M255 HydrophobicContact CB-SD 3.59Å; P222-M255 VanDerWaalsContact CB-SD 3.59Å; P222-C259 VanDerWaalsContact CB-SG 3.52Å; P222-C259 WeakPolarHBondContact CG-SG 3.35Å
223	F	98.9	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-74.7	-34	172.5	-60.8	-75.6	0	0	0	111.4	L215 D216 F220 L221 S227 F256 C259 I260 I263 L278 L294	L215-F223 HydrophobicContact CD2-CB 4.1Å; L215-F223 HydrophobicContact CD2-CD2 3.77Å; L215-F223 HydrophobicContact CD2-CG 4.1Å; L215-F223 HydrophobicContact CG-CD2 4.24Å; D216-F223 HydrophobicContact CB-CE2 3.55Å; D216-F223 HydrophobicContact CB-CZ 3.97Å; F220-F223 WeakPolarHBondContact O-CB 3.44Å; F220-F223 PolarHBondContact O-N 3.38Å; L221-F223 PolarHBondContact O-N 3.23Å; F223-S227 WeakPolarHBondContact O-CB 3.46Å; F223-S227 PolarHBondContact O-N 3.35Å; F223-S227 PolarHBondContact O-OG 2.76Å; F223-F256 HydrophobicContact CB-CD2 4.13Å; F223-F256 HydrophobicContact CB-CE2 3.91Å; F223-F256 HydrophobicContact CD1-CD1 4.25Å; F223-F256 AromaticContact CD1-CD2 3.91Å; F223-F256 HydrophobicContact CD1-CD2 3.91Å; F223-F256 HydrophobicContact CD1-CE1 4.05Å; F223-F256 AromaticContact CD1-CE2 3.71Å; F223-F256 HydrophobicContact CD1-CE2 3.71Å; F223-F256 HydrophobicContact CD1-CG 4.18Å; F223-F256 AromaticContact CD1-CZ 3.77Å; F223-F256 HydrophobicContact CD1-CZ 3.77Å; F223-F256 HydrophobicContact CE1-CE1 4.44Å; F223-F256 HydrophobicContact CG-CE2 4.31Å; F223-F256 WeakPolarHBondContact O-CD2 3.32Å; F223-C259 HydrophobicContact CD1-CB 4.45Å; F223-C259 HydrophobicContact CE1-CB 3.67Å; F223-C259 HydrophobicContact CE2-CB 4.37Å; F223-C259 HydrophobicContact CZ-CB 3.63Å; F223-I260 HydrophobicContact CE1-CD1 4.09Å; F223-I263 HydrophobicContact CZ-CD1 4.13Å; F223-L278 HydrophobicContact CD1-CD2 4Å; F223-L278 HydrophobicContact CE1-CD1 4.08Å; F223-L278 HydrophobicContact CE1-CD2 3.9Å; F223-L278 HydrophobicContact CZ-CD1 4.09Å; F223-L278 HydrophobicContact CZ-CD2 4.48Å; F223-L294 HydrophobicContact CB-CD1 3.9Å; F223-L294 VanDerWaalsContact O-CD1 3.32Å; F223-L294 WeakPolarHBondContact O-CD1 3.42Å
224	I	98.9	Very high	97.1	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65	-62.7	172.3	-68.2	166.1	0	0	0	109.4	N59 F220 L221 G226 S227 S228 N291 L294 I295 Y298	N59-I224 VanDerWaalsContact OD1-CG2 3.24Å; N59-I224 WeakPolarHBondContact OD1-CG2 3.47Å; N59-I224 PolarHBondContact OD1-O 3.42Å; F220-I224 HydrophobicContact CD1-CD1 3.79Å; F220-I224 HydrophobicContact CD1-CG1 4.1Å; F220-I224 HydrophobicContact CE1-CD1 3.96Å; F220-I224 HydrophobicContact CE1-CG1 4.11Å; F220-I224 PolarHBondContact O-N 3.13Å; L221-I224 HydrophobicContact CD2-CD1 4.18Å; L221-I224 WeakPolarHBondContact O-CB 3.37Å; L221-I224 PolarHBondContact O-N 2.87Å; I224-G226 VanDerWaalsContact C-N 3.34Å; I224-G226 PolarHBondContact O-N 3.46Å; I224-S227 PolarHBondContact O-N 2.9Å; I224-S227 PolarHBondContact O-OG 2.89Å; I224-S228 PolarHBondContact O-N 2.79Å; I224-S228 VanDerWaalsContact O-N 3.16Å; I224-N291 PolarHBondContact O-ND2 2.88Å; I224-L294 HydrophobicContact CG1-CB 3.88Å; I224-I295 HydrophobicContact CG2-CD1 4.45Å; I224-I295 HydrophobicContact CG2-CG1 3.87Å; I224-Y298 HydrophobicContact CD1-CD1 4.02Å; I224-Y298 HydrophobicContact CD1-CD2 4.32Å; I224-Y298 HydrophobicContact CD1-CG 3.75Å
225	W	98.9	Very high	97.6	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.3	-38.7	-175.9	-64.2	-30.6	0	0	0	112.5	I55 L58 V62 V184 F188 L221 S227 S228 Q229	I55-W225 HydrophobicContact CD1-CH2 4.16Å; I55-W225 HydrophobicContact CD1-CZ2 3.6Å; I55-W225 PolarHBondContact O-NE1 3.23Å; I55-W225 VanDerWaalsContact O-NE1 3.14Å; L58-W225 HydrophobicContact CB-CZ2 4.14Å; L58-W225 HydrophobicContact CD1-CH2 4.1Å; L58-W225 HydrophobicContact CD1-CZ2 3.73Å; V62-W225 HydrophobicContact CG2-CB 4.17Å; V184-W225 HydrophobicContact CG1-CB 4Å; V184-W225 HydrophobicContact CG1-CD2 4.07Å; V184-W225 HydrophobicContact CG1-CE3 3.79Å; V184-W225 HydrophobicContact CG1-CG 4.21Å; V184-W225 HydrophobicContact CG2-CD2 4.24Å; V184-W225 HydrophobicContact CG2-CE3 4.29Å; F188-W225 HydrophobicContact CB-CZ3 4.23Å; F188-W225 AromaticContact CD1-CE3 3.86Å; F188-W225 HydrophobicContact CD1-CE3 3.86Å; F188-W225 AromaticContact CD1-CZ3 3.51Å; F188-W225 HydrophobicContact CD1-CZ3 3.51Å; F188-W225 HydrophobicContact CD2-CH2 4.21Å; F188-W225 AromaticContact CD2-CZ3 3.62Å; F188-W225 HydrophobicContact CD2-CZ3 3.62Å; F188-W225 AromaticContact CE1-CE3 3.96Å; F188-W225 HydrophobicContact CE1-CE3 3.96Å; F188-W225 AromaticContact CE1-CZ3 3.61Å; F188-W225 HydrophobicContact CE1-CZ3 3.61Å; F188-W225 HydrophobicContact CE2-CH2 4.26Å; F188-W225 AromaticContact CE2-CZ3 3.73Å; F188-W225 HydrophobicContact CE2-CZ3 3.73Å; F188-W225 HydrophobicContact CG-CE3 4.24Å; F188-W225 HydrophobicContact CG-CH2 4.46Å; F188-W225 AromaticContact CG-CZ3 3.51Å; F188-W225 HydrophobicContact CG-CZ3 3.51Å; F188-W225 HydrophobicContact CZ-CE3 4.45Å; F188-W225 AromaticContact CZ-CZ3 3.73Å; F188-W225 HydrophobicContact CZ-CZ3 3.73Å; L221-W225 HydrophobicContact CB-CE3 4.23Å; L221-W225 HydrophobicContact CB-CH2 4.36Å; L221-W225 HydrophobicContact CB-CZ3 4.07Å; L221-W225 HydrophobicContact CD1-CH2 3.98Å; L221-W225 HydrophobicContact CD1-CZ2 4.49Å; L221-W225 HydrophobicContact CD1-CZ3 4.37Å; L221-W225 PolarHBondContact O-N 2.67Å; W225-S227 PolarHBondContact O-N 3.36Å; W225-S228 WeakPolarHBondContact O-CB 3.25Å; W225-S228 PolarHBondContact O-N 3.31Å; W225-S228 VanDerWaalsContact O-N 3.16Å; W225-Q229 PolarHBondContact O-N 3.41Å
226	G	98.8	Very high	97.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64	-38.7	175.5	0	0	0	0	0	113.3	P222 I224 S228 Q229 F230	P222-G226 WeakPolarHBondContact O-CA 3.48Å; P222-G226 PolarHBondContact O-N 2.79Å; I224-G226 VanDerWaalsContact C-N 3.34Å; I224-G226 PolarHBondContact O-N 3.46Å; G226-S228 VanDerWaalsContact C-N 3.27Å; G226-S228 PolarHBondContact O-N 3.49Å; G226-Q229 WeakPolarHBondContact O-CB 3.45Å; G226-Q229 PolarHBondContact O-N 3.41Å; G226-F230 VanDerWaalsContact O-CD2 3.26Å; G226-F230 WeakPolarHBondContact O-CD2 3.34Å
227	S	98.9	Very high	97.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68.2	-28.4	174.4	59.2	0	0	0	0	112.3	F223 I224 W225 F230 N291	F223-S227 WeakPolarHBondContact O-CB 3.46Å; F223-S227 PolarHBondContact O-N 3.35Å; F223-S227 PolarHBondContact O-OG 2.76Å; I224-S227 PolarHBondContact O-N 2.9Å; I224-S227 PolarHBondContact O-OG 2.89Å; W225-S227 PolarHBondContact O-N 3.36Å; S227-F230 PolarHBondContact O-N 3.47Å; S227-N291 WeakPolarHBondContact OG-CA 3.33Å; S227-N291 WeakPolarHBondContact OG-CB 3.32Å; S227-N291 PolarHBondContact OG-ND2 3.46Å; S227-N291 VanDerWaalsContact OG-ND2 3.11Å
228	S	98.9	Very high	98.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.7	-36.3	172.8	-170	0	0	0	0	112.4	N59 K63 G64 I224 W225 G226 F230 I231	N59-S228 WeakPolarHBondContact O-CB 3.38Å; N59-S228 PolarHBondContact O-OG 2.95Å; N59-S228 WeakPolarHBondContact OD1-CB 3.06Å; K63-S228 WeakPolarHBondContact CA-O 3.27Å; K63-S228 WeakPolarHBondContact CA-OG 3.32Å; K63-S228 WeakPolarHBondContact CB-OG 2.87Å; G64-S228 PolarHBondContact N-O 2.67Å; I224-S228 PolarHBondContact O-N 2.79Å; I224-S228 VanDerWaalsContact O-N 3.16Å; W225-S228 WeakPolarHBondContact O-CB 3.25Å; W225-S228 PolarHBondContact O-N 3.31Å; W225-S228 VanDerWaalsContact O-N 3.16Å; G226-S228 VanDerWaalsContact C-N 3.27Å; G226-S228 PolarHBondContact O-N 3.49Å; S228-F230 PolarHBondContact O-N 3.1Å; S228-F230 VanDerWaalsContact O-N 3.11Å; S228-I231 PolarHBondContact O-N 3.18Å; S228-I231 VanDerWaalsContact O-N 3.1Å
229	Q	98.7	Very high	98.1	Very high	3 Å²	3	32.8 Å²	32.8	1%	0.014	17%	0.17	C	C	.	.	H	α-helix	trans	-56.8	-28.4	174.3	-59.5	-174.5	-89.9	0	0	112.9	G64 K65 F185 W225 G226 D253 Y254 M255	G64-Q229 CarbonylContact C-O 3.54Å; G64-Q229 VanDerWaalsContact CA-O 3.31Å; G64-Q229 WeakPolarHBondContact CA-O 3.36Å; K65-Q229 WeakPolarHBondContact O-CB 3.12Å; K65-Q229 VanDerWaalsContact O-CG 3.27Å; K65-Q229 WeakPolarHBondContact O-CG 3.29Å; K65-Q229 PolarHBondContact O-NE2 3.03Å; F185-Q229 HydrophobicContact CE1-CG 3.92Å; F185-Q229 HydrophobicContact CZ-CG 4.04Å; W225-Q229 PolarHBondContact O-N 3.41Å; G226-Q229 WeakPolarHBondContact O-CB 3.45Å; G226-Q229 PolarHBondContact O-N 3.41Å; Q229-D253 PolarHBondContact NE2-O 3.29Å; Q229-Y254 HydrophobicContact CB-CD1 4Å; Q229-Y254 HydrophobicContact CB-CE1 4.47Å; Q229-M255 VanDerWaalsContact OE1-CB 3.3Å
230	F	98.6	Very high	98.2	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-1.3	-178.8	-73.6	-70.7	0	0	0	115.2	G226 S227 S228 D232 H233 L236 Y254 F256 L257 W287	G226-F230 VanDerWaalsContact O-CD2 3.26Å; G226-F230 WeakPolarHBondContact O-CD2 3.34Å; S227-F230 PolarHBondContact O-N 3.47Å; S228-F230 PolarHBondContact O-N 3.1Å; S228-F230 VanDerWaalsContact O-N 3.11Å; F230-D232 PolarHBondContact O-N 2.98Å; F230-H233 HydrophobicContact CB-CB 4.4Å; F230-H233 HydrophobicContact CD1-CB 4.13Å; F230-H233 AromaticContact CD1-CD2 3.73Å; F230-H233 AromaticContact CD1-CG 3.91Å; F230-H233 WeakPolarHBondContact O-CB 3.49Å; F230-H233 PolarHBondContact O-N 2.98Å; F230-L236 HydrophobicContact CD1-CB 4.26Å; F230-L236 HydrophobicContact CE1-CB 4.08Å; F230-L236 HydrophobicContact CE1-CD1 3.75Å; F230-Y254 HydrophobicContact CD1-CD1 4.1Å; F230-Y254 HydrophobicContact CD1-CE1 4.07Å; F230-Y254 HydrophobicContact CD2-CD1 4.35Å; F230-Y254 AromaticContact CE1-CD1 3.56Å; F230-Y254 HydrophobicContact CE1-CD1 3.56Å; F230-Y254 AromaticContact CE1-CD2 3.86Å; F230-Y254 HydrophobicContact CE1-CD2 3.86Å; F230-Y254 AromaticContact CE1-CE1 3.72Å; F230-Y254 HydrophobicContact CE1-CE1 3.72Å; F230-Y254 HydrophobicContact CE1-CE2 4.02Å; F230-Y254 AromaticContact CE1-CG 3.64Å; F230-Y254 HydrophobicContact CE1-CG 3.64Å; F230-Y254 AromaticContact CE1-CZ 3.95Å; F230-Y254 AromaticContact CE2-CD1 3.84Å; F230-Y254 HydrophobicContact CE2-CD1 3.84Å; F230-Y254 AromaticContact CE2-CG 3.82Å; F230-Y254 HydrophobicContact CE2-CG 3.82Å; F230-Y254 HydrophobicContact CG-CD1 4.44Å; F230-Y254 AromaticContact CZ-CD1 3.42Å; F230-Y254 HydrophobicContact CZ-CD1 3.42Å; F230-Y254 VanDerWaalsContact CZ-CD1 3.42Å; F230-Y254 AromaticContact CZ-CD2 3.65Å; F230-Y254 HydrophobicContact CZ-CD2 3.65Å; F230-Y254 HydrophobicContact CZ-CE1 4.08Å; F230-Y254 HydrophobicContact CZ-CE2 4.29Å; F230-Y254 AromaticContact CZ-CG 3.17Å; F230-Y254 HydrophobicContact CZ-CG 3.17Å; F230-F256 HydrophobicContact CD2-CB 4.4Å; F230-F256 HydrophobicContact CE2-CB 3.98Å; F230-L257 HydrophobicContact CE2-CG 4.07Å; F230-L257 HydrophobicContact CZ-CD1 3.7Å; F230-L257 HydrophobicContact CZ-CD2 4.36Å; F230-L257 HydrophobicContact CZ-CG 3.7Å; F230-W287 HydrophobicContact CB-CB 3.87Å; F230-W287 VanDerWaalsContact CB-CD1 3.45Å; F230-W287 HydrophobicContact CB-CD2 3.36Å; F230-W287 HydrophobicContact CB-CE3 3.98Å; F230-W287 HydrophobicContact CB-CG 3.31Å; F230-W287 HydrophobicContact CB-CZ2 4.2Å; F230-W287 HydrophobicContact CD1-CZ2 4.21Å; F230-W287 HydrophobicContact CD2-CD2 4.19Å; F230-W287 AromaticContact CD2-CE2 4Å; F230-W287 HydrophobicContact CD2-CE3 4.2Å; F230-W287 AromaticContact CD2-CH2 3.8Å; F230-W287 HydrophobicContact CD2-CH2 3.8Å; F230-W287 AromaticContact CD2-CZ2 3.81Å; F230-W287 HydrophobicContact CD2-CZ2 3.81Å; F230-W287 HydrophobicContact CD2-CZ3 4.02Å; F230-W287 HydrophobicContact CE2-CH2 4.13Å; F230-W287 HydrophobicContact CE2-CZ2 4.21Å; F230-W287 AromaticContact CG-CD2 3.91Å; F230-W287 HydrophobicContact CG-CD2 3.91Å; F230-W287 AromaticContact CG-CE2 3.63Å; F230-W287 HydrophobicContact CG-CE3 4.37Å; F230-W287 HydrophobicContact CG-CG 4.3Å; F230-W287 HydrophobicContact CG-CH2 4.28Å; F230-W287 AromaticContact CG-CZ2 3.83Å; F230-W287 HydrophobicContact CG-CZ2 3.83Å; F230-W287 AromaticContact CG-NE1 3.89Å
231	I	98.5	Very high	98.2	Very high	15 Å²	15	33.5 Å²	33.5	8%	0.077	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	129.7	175.4	-65.7	174.3	0	0	0	108.7	K63 S228 H233 W287 N291	K63-I231 HydrophobicContact CD-CD1 4.49Å; K63-I231 HydrophobicContact CG-CB 4.05Å; K63-I231 HydrophobicContact CG-CD1 4.23Å; K63-I231 HydrophobicContact CG-CG2 4.29Å; S228-I231 PolarHBondContact O-N 3.18Å; S228-I231 VanDerWaalsContact O-N 3.1Å; I231-H233 PolarHBondContact O-N 3.21Å; I231-W287 HydrophobicContact CG1-CB 4.45Å; I231-N291 HydrophobicContact CD1-CB 4.28Å
232	D	95.5	Very high	98.1	Very high	149 Å²	149	35.8 Å²	35.8	80%	0.797	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	21.5	-175.5	-50.9	-36.9	0	0	0	114.8	F230	F230-D232 PolarHBondContact O-N 2.98Å
233	H	97.4	Very high	98	Very high	42 Å²	42	38.9 Å²	38.9	19%	0.194	20%	0.202	C	C	.	.			trans	-61.6	132.9	175.3	-169.6	-74.1	0	0	0	111.2	F230 I231 T235 L236 Y254	F230-H233 HydrophobicContact CB-CB 4.4Å; F230-H233 HydrophobicContact CD1-CB 4.13Å; F230-H233 AromaticContact CD1-CD2 3.73Å; F230-H233 AromaticContact CD1-CG 3.91Å; F230-H233 WeakPolarHBondContact O-CB 3.49Å; F230-H233 PolarHBondContact O-N 2.98Å; I231-H233 PolarHBondContact O-N 3.21Å; H233-T235 VanDerWaalsContact C-N 3.35Å; H233-T235 PolarHBondContact CE1-OG1 3.16Å; H233-T235 PolarHBondContact ND1-N 3.27Å; H233-T235 PolarHBondContact O-N 2.99Å; H233-L236 VanDerWaalsContact CE1-CG 3.49Å; H233-L236 WeakPolarHBondContact CE1-CG 3.46Å; H233-L236 PolarHBondContact CE1-N 3.08Å; H233-L236 WeakPolarHBondContact ND1-CB 3.4Å; H233-L236 PolarHBondContact ND1-N 3.11Å; H233-Y254 AromaticContact CD2-CZ 3.82Å; H233-Y254 PolarHBondContact CD2-OH 3.43Å; H233-Y254 VanDerWaalsContact CD2-OH 3.28Å; H233-Y254 AromaticContact NE2-CZ 3.68Å; H233-Y254 PolarHBondContact NE2-OH 2.72Å
234	P	95.6	Very high	97.9	Very high	117 Å²	117	44.7 Å²	44.7	76%	0.76	23%	0.229	S	C	*	.	S	Bend	trans	-69.8	-25.6	-167.6	25.9	-36.8	0	0	0	114.9
235	T	96	Very high	97.8	Very high	98 Å²	98	51.8 Å²	51.8	60%	0.601	26%	0.256	S	S	*	.	S	Bend	trans	-132.7	-46.1	-171.7	56	0	0	0	0	114.1	H233 E237	H233-T235 VanDerWaalsContact C-N 3.35Å; H233-T235 PolarHBondContact CE1-OG1 3.16Å; H233-T235 PolarHBondContact ND1-N 3.27Å; H233-T235 PolarHBondContact O-N 2.99Å; T235-E237 PolarHBondContact O-N 3.28Å
236	L	97.8	Very high	97.7	Very high	20 Å²	20	52.3 Å²	52.3	11%	0.105	26%	0.259	C	S	.	.			trans	-75.4	109.9	179.5	-59.2	177.1	0	0	0	112.3	F230 H233 H240 V246 Q250 Y254 W287	F230-L236 HydrophobicContact CD1-CB 4.26Å; F230-L236 HydrophobicContact CE1-CB 4.08Å; F230-L236 HydrophobicContact CE1-CD1 3.75Å; H233-L236 VanDerWaalsContact CE1-CG 3.49Å; H233-L236 WeakPolarHBondContact CE1-CG 3.46Å; H233-L236 PolarHBondContact CE1-N 3.08Å; H233-L236 WeakPolarHBondContact ND1-CB 3.4Å; H233-L236 PolarHBondContact ND1-N 3.11Å; L236-H240 HydrophobicContact CD2-CB 4.23Å; L236-V246 HydrophobicContact CD1-CG1 4.44Å; L236-V246 HydrophobicContact CD2-CG1 3.64Å; L236-Q250 HydrophobicContact CD1-CG 4.22Å; L236-Y254 HydrophobicContact CD1-CE2 4.48Å; L236-W287 PolarHBondContact O-NE1 2.98Å
237	E	98.4	Very high	97.7	Very high	91 Å²	91	52.3 Å²	52.3	43%	0.425	26%	0.259	S	S	.	.			trans	-93.8	164.7	167.3	-60.3	166.1	-179.9	0	0	112.3	T235 R239 H240 W287	T235-E237 PolarHBondContact O-N 3.28Å; E237-R239 VanDerWaalsContact C-N 3.27Å; E237-R239 HydrophobicContact CB-CG 4.3Å; E237-R239 PolarHBondContact O-N 3.11Å; E237-R239 VanDerWaalsContact O-N 3.16Å; E237-R239 IonicContact OE2-CZ 3.45Å; E237-R239 VanDerWaalsContact OE2-CZ 3.3Å; E237-R239 IonicContact OE2-NE 3.21Å; E237-R239 PolarHBondContact OE2-NE 3.25Å; E237-R239 IonicContact OE2-NH2 3.62Å; E237-R239 PolarHBondContact OE2-NH2 3.06Å; E237-H240 PolarHBondContact N-CE1 3.29Å; E237-H240 PolarHBondContact N-ND1 3.44Å; E237-H240 WeakPolarHBondContact O-CB 3.49Å; E237-H240 PolarHBondContact O-N 3.1Å; E237-H240 PolarHBondContact O-ND1 2.97Å; E237-H240 IonicContact OE2-CE1 2.84Å; E237-W287 VanDerWaalsContact C-NE1 3.31Å
238	P	98.7	Very high	97.6	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.013	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-52.2	-38.1	179.2	-30.4	38.1	0	0	0	114.7	H240 F241 S282 V284 W287 V290	P238-H240 PolarHBondContact O-N 3.32Å; P238-F241 HydrophobicContact CB-CE1 4.27Å; P238-F241 WeakPolarHBondContact O-CD1 3.49Å; P238-F241 WeakPolarHBondContact O-CE1 3.37Å; P238-F241 WeakPolarHBondContact O-CG 3.31Å; P238-F241 PolarHBondContact O-N 3.02Å; P238-S282 CarbonylContact C-O 3.5Å; P238-V284 WeakPolarHBondContact CB-O 3.49Å; P238-V284 WeakPolarHBondContact CG-O 3.3Å; P238-W287 HydrophobicContact CG-CD2 3.79Å; P238-W287 HydrophobicContact CG-CE3 4.21Å; P238-W287 HydrophobicContact CG-CG 4Å; P238-V290 HydrophobicContact CB-CG2 3.97Å; P238-V290 HydrophobicContact CG-CG2 3.69Å
239	R	98.3	Very high	97.5	Very high	134 Å²	134	61.7 Å²	61.7	51%	0.506	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-59.8	-15.5	178.9	66.7	177.8	174	80.4	8.8	114.7	E237 I242 S282	E237-R239 VanDerWaalsContact C-N 3.27Å; E237-R239 HydrophobicContact CB-CG 4.3Å; E237-R239 PolarHBondContact O-N 3.11Å; E237-R239 VanDerWaalsContact O-N 3.16Å; E237-R239 IonicContact OE2-CZ 3.45Å; E237-R239 VanDerWaalsContact OE2-CZ 3.3Å; E237-R239 IonicContact OE2-NE 3.21Å; E237-R239 PolarHBondContact OE2-NE 3.25Å; E237-R239 IonicContact OE2-NH2 3.62Å; E237-R239 PolarHBondContact OE2-NH2 3.06Å; R239-I242 WeakPolarHBondContact O-CG1 3.47Å; R239-S282 WeakPolarHBondContact CA-O 3.48Å; R239-S282 WeakPolarHBondContact CB-O 3.19Å; R239-S282 PolarHBondContact N-O 3.18Å
240	H	98.5	Very high	97.4	Very high	31 Å²	31	64.2 Å²	64.2	14%	0.144	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-84.9	-17.5	-178.4	-57.9	102.6	0	0	0	113.6	L236 E237 P238 I242 D243 V246	L236-H240 HydrophobicContact CD2-CB 4.23Å; E237-H240 PolarHBondContact N-CE1 3.29Å; E237-H240 PolarHBondContact N-ND1 3.44Å; E237-H240 WeakPolarHBondContact O-CB 3.49Å; E237-H240 PolarHBondContact O-N 3.1Å; E237-H240 PolarHBondContact O-ND1 2.97Å; E237-H240 IonicContact OE2-CE1 2.84Å; P238-H240 PolarHBondContact O-N 3.32Å; H240-I242 PolarHBondContact O-N 2.65Å; H240-I242 VanDerWaalsContact O-N 3.16Å; H240-D243 WeakPolarHBondContact O-CB 3.19Å; H240-D243 PolarHBondContact O-N 3.18Å; H240-V246 HydrophobicContact CB-CG1 4.14Å; H240-V246 HydrophobicContact CB-CG2 4.34Å
241	F	98.3	Very high	97.4	Very high	1 Å²	1	66 Å²	66	0%	0.004	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-13.1	-178.8	71.2	-114	0	0	0	113	P238 V247 F256 L257 I260 F271 L278 I281 S282 W287	P238-F241 HydrophobicContact CB-CE1 4.27Å; P238-F241 WeakPolarHBondContact O-CD1 3.49Å; P238-F241 WeakPolarHBondContact O-CE1 3.37Å; P238-F241 WeakPolarHBondContact O-CG 3.31Å; P238-F241 PolarHBondContact O-N 3.02Å; F241-V247 WeakPolarHBondContact O-CG2 3.33Å; F241-F256 HydrophobicContact CB-CD1 4.35Å; F241-F256 HydrophobicContact CB-CE1 4.17Å; F241-F256 HydrophobicContact CD1-CD1 4.42Å; F241-F256 AromaticContact CD1-CE1 3.61Å; F241-F256 HydrophobicContact CD1-CE1 3.61Å; F241-F256 HydrophobicContact CD1-CZ 4.11Å; F241-F256 HydrophobicContact CD2-CE1 4.07Å; F241-F256 AromaticContact CE1-CE1 3.95Å; F241-F256 HydrophobicContact CE1-CE1 3.95Å; F241-F256 HydrophobicContact CE1-CZ 4.03Å; F241-F256 HydrophobicContact CE2-CE1 4.37Å; F241-F256 HydrophobicContact CG-CD1 4.37Å; F241-F256 AromaticContact CG-CE1 3.7Å; F241-F256 HydrophobicContact CG-CE1 3.7Å; F241-F256 HydrophobicContact CZ-CE1 4.3Å; F241-F256 HydrophobicContact CZ-CZ 4.38Å; F241-L257 HydrophobicContact CB-CD2 3.53Å; F241-I260 HydrophobicContact CB-CG1 4.3Å; F241-I260 HydrophobicContact CD2-CD1 3.9Å; F241-I260 HydrophobicContact CD2-CG1 4.08Å; F241-I260 HydrophobicContact CE2-CD1 4.32Å; F241-I260 HydrophobicContact CG-CG1 4.46Å; F241-I260 WeakPolarHBondContact O-CG2 3.32Å; F241-F271 HydrophobicContact CE2-CE1 4.44Å; F241-L278 HydrophobicContact CE2-CB 4.31Å; F241-L278 WeakPolarHBondContact CE2-O 3.37Å; F241-L278 WeakPolarHBondContact CZ-O 3.35Å; F241-I281 HydrophobicContact CE1-CG2 4.24Å; F241-I281 HydrophobicContact CZ-CB 4.38Å; F241-I281 HydrophobicContact CZ-CG2 4.22Å; F241-S282 VanDerWaalsContact CZ-CB 3.44Å; F241-W287 HydrophobicContact CB-CH2 4.37Å; F241-W287 AromaticContact CD1-CH2 3.65Å; F241-W287 HydrophobicContact CD1-CH2 3.65Å; F241-W287 HydrophobicContact CD1-CZ2 4.39Å; F241-W287 HydrophobicContact CD1-CZ3 4.23Å; F241-W287 HydrophobicContact CE1-CH2 4.46Å; F241-W287 HydrophobicContact CG-CH2 4.48Å
242	I	97	Very high	97.3	Very high	47 Å²	47	72.3 Å²	72.3	24%	0.241	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-5.3	172.7	56.6	162.1	0	0	0	112.9	R239 H240 F271 W279	R239-I242 WeakPolarHBondContact O-CG1 3.47Å; H240-I242 PolarHBondContact O-N 2.65Å; H240-I242 VanDerWaalsContact O-N 3.16Å; I242-F271 HydrophobicContact CG2-CD1 3.85Å; I242-F271 HydrophobicContact CG2-CE1 3.92Å; I242-F271 HydrophobicContact CG2-CG 4.42Å; I242-W279 HydrophobicContact CB-CE3 4.36Å; I242-W279 HydrophobicContact CB-CZ3 4.2Å; I242-W279 HydrophobicContact CD1-CE3 3.87Å; I242-W279 HydrophobicContact CD1-CH2 3.75Å; I242-W279 HydrophobicContact CD1-CZ3 3.28Å; I242-W279 HydrophobicContact CG1-CZ3 4.31Å; I242-W279 HydrophobicContact CG2-CE3 3.94Å; I242-W279 HydrophobicContact CG2-CZ3 4.28Å
243	D	97.5	Very high	97.4	Very high	65 Å²	65	66.6 Å²	66.6	35%	0.348	32%	0.324	S	S	.	.			trans	-86.2	107.8	172.9	-178.3	-17.5	0	0	0	108.8	H240 R245 V246 V247	H240-D243 WeakPolarHBondContact O-CB 3.19Å; H240-D243 PolarHBondContact O-N 3.18Å; D243-R245 PolarHBondContact O-N 3.33Å; D243-R245 VanDerWaalsContact O-N 3.12Å; D243-R245 WeakPolarHBondContact OD1-CB 3.41Å; D243-R245 PolarHBondContact OD1-N 3.42Å; D243-V246 HydrophobicContact CB-CB 4.19Å; D243-V246 HydrophobicContact CB-CG2 3.96Å; D243-V246 WeakPolarHBondContact O-CB 3.32Å; D243-V246 PolarHBondContact O-N 2.93Å; D243-V247 WeakPolarHBondContact O-CG2 3.43Å; D243-V247 PolarHBondContact O-N 3.12Å
244	E	95.8	Very high	97.5	Very high	123 Å²	123	65 Å²	65	58%	0.575	32%	0.317	S	S	*	.	H	α-helix	trans	-54.3	-32.5	-179.2	-70.3	-177.5	-164.2	0	0	113	V247 N248	E244-V247 PolarHBondContact O-N 3.06Å; E244-N248 WeakPolarHBondContact O-CB 3.46Å; E244-N248 VanDerWaalsContact O-CG 3.29Å; E244-N248 PolarHBondContact O-N 3.42Å; E244-N248 PolarHBondContact O-ND2 3.16Å
245	R	97.3	Very high	97.6	Very high	149 Å²	149	59.5 Å²	59.5	56%	0.562	28%	0.28	S	S	*	.	H	α-helix	trans	-67	-44.7	178.3	-175	178.4	67.3	99.8	-1.1	110.9	D243 V247 N248 E249	D243-R245 PolarHBondContact O-N 3.33Å; D243-R245 VanDerWaalsContact O-N 3.12Å; D243-R245 WeakPolarHBondContact OD1-CB 3.41Å; D243-R245 PolarHBondContact OD1-N 3.42Å; R245-V247 VanDerWaalsContact C-N 3.32Å; R245-V247 PolarHBondContact O-N 3.18Å; R245-N248 PolarHBondContact O-N 3.13Å; R245-E249 HydrophobicContact CG-CG 4.46Å; R245-E249 VanDerWaalsContact CG-OE1 3.23Å; R245-E249 WeakPolarHBondContact CG-OE1 3.24Å; R245-E249 IonicContact NH1-OE1 3.3Å; R245-E249 PolarHBondContact NH1-OE1 3.11Å; R245-E249 IonicContact NH1-OE2 3.03Å; R245-E249 WeakPolarHBondContact O-CB 3.4Å; R245-E249 VanDerWaalsContact O-CG 3.29Å; R245-E249 WeakPolarHBondContact O-CG 3.2Å; R245-E249 PolarHBondContact O-N 3.04Å
246	V	97.9	Very high	97.8	Very high	11 Å²	11	54.8 Å²	54.8	7%	0.067	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-44.3	176.6	172.7	0	0	0	0	110.5	L236 H240 D243 E249 Q250	L236-V246 HydrophobicContact CD1-CG1 4.44Å; L236-V246 HydrophobicContact CD2-CG1 3.64Å; H240-V246 HydrophobicContact CB-CG1 4.14Å; H240-V246 HydrophobicContact CB-CG2 4.34Å; D243-V246 HydrophobicContact CB-CB 4.19Å; D243-V246 HydrophobicContact CB-CG2 3.96Å; D243-V246 WeakPolarHBondContact O-CB 3.32Å; D243-V246 PolarHBondContact O-N 2.93Å; V246-E249 PolarHBondContact O-N 2.82Å; V246-Q250 WeakPolarHBondContact O-CB 3.43Å; V246-Q250 WeakPolarHBondContact O-CG 3.28Å; V246-Q250 PolarHBondContact O-N 3.5Å
247	V	97.9	Very high	97.8	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-53.1	178.3	-179.8	0	0	0	0	110.3	F241 D243 E244 R245 E249 Q250 H251 L257 I260 Q261	F241-V247 WeakPolarHBondContact O-CG2 3.33Å; D243-V247 WeakPolarHBondContact O-CG2 3.43Å; D243-V247 PolarHBondContact O-N 3.12Å; E244-V247 PolarHBondContact O-N 3.06Å; R245-V247 VanDerWaalsContact C-N 3.32Å; R245-V247 PolarHBondContact O-N 3.18Å; V247-E249 VanDerWaalsContact C-N 3.29Å; V247-E249 PolarHBondContact O-N 2.75Å; V247-Q250 PolarHBondContact O-N 3.23Å; V247-H251 HydrophobicContact CG1-CB 4.47Å; V247-H251 WeakPolarHBondContact O-CB 3.48Å; V247-H251 PolarHBondContact O-CD2 3.38Å; V247-H251 PolarHBondContact O-N 3.44Å; V247-L257 WeakPolarHBondContact CG1-O 3.26Å; V247-L257 HydrophobicContact CG2-CD2 4.32Å; V247-I260 HydrophobicContact CG1-CB 4.41Å; V247-I260 HydrophobicContact CG1-CG2 4.38Å; V247-I260 HydrophobicContact CG2-CB 4.38Å; V247-I260 HydrophobicContact CG2-CG2 3.92Å; V247-Q261 HydrophobicContact CG1-CB 3.73Å; V247-Q261 VanDerWaalsContact CG1-OE1 3.3Å
248	N	97.1	Very high	97.8	Very high	85 Å²	85	50.8 Å²	50.8	46%	0.455	23%	0.233	S	C	.	.	H	α-helix	trans	-60.9	-34.5	-179.3	-74.9	-52.2	0	0	0	113.2	E244 R245 H251 Q261	E244-N248 WeakPolarHBondContact O-CB 3.46Å; E244-N248 VanDerWaalsContact O-CG 3.29Å; E244-N248 PolarHBondContact O-N 3.42Å; E244-N248 PolarHBondContact O-ND2 3.16Å; R245-N248 PolarHBondContact O-N 3.13Å; N248-H251 PolarHBondContact O-CD2 2.8Å; N248-Q261 PolarHBondContact OD1-NE2 3.06Å; N248-Q261 PolarHBondContact OD1-OE1 3.16Å
249	E	97.1	Very high	97.8	Very high	111 Å²	111	51 Å²	51	52%	0.519	23%	0.234	S	C	.	.	H	α-helix	trans	-78.6	-29	179.9	-73	173.4	-170.4	0	0	113.3	R245 V246 V247	R245-E249 HydrophobicContact CG-CG 4.46Å; R245-E249 VanDerWaalsContact CG-OE1 3.23Å; R245-E249 WeakPolarHBondContact CG-OE1 3.24Å; R245-E249 IonicContact NH1-OE1 3.3Å; R245-E249 PolarHBondContact NH1-OE1 3.11Å; R245-E249 IonicContact NH1-OE2 3.03Å; R245-E249 WeakPolarHBondContact O-CB 3.4Å; R245-E249 VanDerWaalsContact O-CG 3.29Å; R245-E249 WeakPolarHBondContact O-CG 3.2Å; R245-E249 PolarHBondContact O-N 3.04Å; V246-E249 PolarHBondContact O-N 2.82Å; V247-E249 VanDerWaalsContact C-N 3.29Å; V247-E249 PolarHBondContact O-N 2.75Å
250	Q	97.3	Very high	97.8	Very high	56 Å²	56	44.6 Å²	44.6	26%	0.262	21%	0.21	S	C	.	.	H	α-helix	trans	-122.3	-8.3	-165.1	-58.3	-68.3	-48.3	0	0	114.7	L236 V246 V247 Q252 D253 Y254 L257	L236-Q250 HydrophobicContact CD1-CG 4.22Å; V246-Q250 WeakPolarHBondContact O-CB 3.43Å; V246-Q250 WeakPolarHBondContact O-CG 3.28Å; V246-Q250 PolarHBondContact O-N 3.5Å; V247-Q250 PolarHBondContact O-N 3.23Å; Q250-Q252 PolarHBondContact O-N 3.01Å; Q250-Q252 VanDerWaalsContact O-N 3.09Å; Q250-D253 PolarHBondContact O-N 3.4Å; Q250-Y254 HydrophobicContact CB-CD2 4.28Å; Q250-Y254 WeakPolarHBondContact O-CD2 3.19Å; Q250-L257 HydrophobicContact CB-CD1 3.68Å
251	H	97.5	Very high	97.8	Very high	38 Å²	38	44.3 Å²	44.3	18%	0.176	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-58.5	-28.8	-173	74.5	100.2	0	0	0	114.5	V247 N248 D253 Y254 L257 D258 Q261	V247-H251 HydrophobicContact CG1-CB 4.47Å; V247-H251 WeakPolarHBondContact O-CB 3.48Å; V247-H251 PolarHBondContact O-CD2 3.38Å; V247-H251 PolarHBondContact O-N 3.44Å; N248-H251 PolarHBondContact O-CD2 2.8Å; H251-D253 PolarHBondContact O-N 2.84Å; H251-Y254 PolarHBondContact O-N 2.89Å; H251-L257 HydrophobicContact CB-CB 4.1Å; H251-D258 HydrophobicContact CB-CB 4.4Å; H251-D258 IonicContact ND1-OD1 2.79Å; H251-D258 PolarHBondContact ND1-OD1 2.81Å; H251-Q261 HydrophobicContact CB-CB 4.32Å
252	Q	96.9	Very high	97.8	Very high	148 Å²	148	45 Å²	45	69%	0.692	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-65.3	-24.4	179.7	-60	-178.9	13.1	0	0	113.4	Q250	Q250-Q252 PolarHBondContact O-N 3.01Å; Q250-Q252 VanDerWaalsContact O-N 3.09Å
253	D	97.8	Very high	97.8	Very high	30 Å²	30	42.9 Å²	42.9	16%	0.16	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-94.1	-17.7	179.8	-80.5	-23.9	0	0	0	113	K66 L67 T68 Q229 Q250 H251	K66-D253 WeakPolarHBondContact CA-O 3.26Å; K66-D253 HydrophobicContact CB-CB 4.3Å; K66-D253 HydrophobicContact CD-CB 4.09Å; K66-D253 WeakPolarHBondContact CE-OD2 3.45Å; K66-D253 HydrophobicContact CG-CB 4.18Å; K66-D253 IonicContact NZ-OD2 2.8Å; K66-D253 PolarHBondContact NZ-OD2 2.96Å; L67-D253 WeakPolarHBondContact CG-O 3.42Å; L67-D253 PolarHBondContact N-O 3.03Å; T68-D253 WeakPolarHBondContact CG2-OD1 3.41Å; T68-D253 PolarHBondContact OG1-OD1 3.08Å; Q229-D253 PolarHBondContact NE2-O 3.29Å; Q250-D253 PolarHBondContact O-N 3.4Å; H251-D253 PolarHBondContact O-N 2.84Å
254	Y	98.6	Very high	97.7	Very high	9 Å²	9	41.7 Å²	41.7	4%	0.035	20%	0.195	C	C	.	.			trans	-137.6	116.5	-167.3	-60.5	-77.3	0	0	0	113	K66 Q229 F230 H233 L236 Q250 H251 F256 L257 D258	K66-Y254 WeakPolarHBondContact CE-OH 3.44Å; K66-Y254 HydrophobicContact CG-CE1 4.05Å; Q229-Y254 HydrophobicContact CB-CD1 4Å; Q229-Y254 HydrophobicContact CB-CE1 4.47Å; F230-Y254 HydrophobicContact CD1-CD1 4.1Å; F230-Y254 HydrophobicContact CD1-CE1 4.07Å; F230-Y254 HydrophobicContact CD2-CD1 4.35Å; F230-Y254 AromaticContact CE1-CD1 3.56Å; F230-Y254 HydrophobicContact CE1-CD1 3.56Å; F230-Y254 AromaticContact CE1-CD2 3.86Å; F230-Y254 HydrophobicContact CE1-CD2 3.86Å; F230-Y254 AromaticContact CE1-CE1 3.72Å; F230-Y254 HydrophobicContact CE1-CE1 3.72Å; F230-Y254 HydrophobicContact CE1-CE2 4.02Å; F230-Y254 AromaticContact CE1-CG 3.64Å; F230-Y254 HydrophobicContact CE1-CG 3.64Å; F230-Y254 AromaticContact CE1-CZ 3.95Å; F230-Y254 AromaticContact CE2-CD1 3.84Å; F230-Y254 HydrophobicContact CE2-CD1 3.84Å; F230-Y254 AromaticContact CE2-CG 3.82Å; F230-Y254 HydrophobicContact CE2-CG 3.82Å; F230-Y254 HydrophobicContact CG-CD1 4.44Å; F230-Y254 AromaticContact CZ-CD1 3.42Å; F230-Y254 HydrophobicContact CZ-CD1 3.42Å; F230-Y254 VanDerWaalsContact CZ-CD1 3.42Å; F230-Y254 AromaticContact CZ-CD2 3.65Å; F230-Y254 HydrophobicContact CZ-CD2 3.65Å; F230-Y254 HydrophobicContact CZ-CE1 4.08Å; F230-Y254 HydrophobicContact CZ-CE2 4.29Å; F230-Y254 AromaticContact CZ-CG 3.17Å; F230-Y254 HydrophobicContact CZ-CG 3.17Å; H233-Y254 AromaticContact CD2-CZ 3.82Å; H233-Y254 PolarHBondContact CD2-OH 3.43Å; H233-Y254 VanDerWaalsContact CD2-OH 3.28Å; H233-Y254 AromaticContact NE2-CZ 3.68Å; H233-Y254 PolarHBondContact NE2-OH 2.72Å; L236-Y254 HydrophobicContact CD1-CE2 4.48Å; Q250-Y254 HydrophobicContact CB-CD2 4.28Å; Q250-Y254 WeakPolarHBondContact O-CD2 3.19Å; H251-Y254 PolarHBondContact O-N 2.89Å; Y254-F256 VanDerWaalsContact C-N 3.27Å; Y254-F256 PolarHBondContact O-N 3.44Å; Y254-L257 HydrophobicContact CD2-CD1 4.26Å; Y254-L257 PolarHBondContact O-N 2.89Å; Y254-L257 VanDerWaalsContact O-N 3.07Å; Y254-D258 PolarHBondContact O-N 3.03Å
255	M	98.7	Very high	97.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.1	-35.3	-177.1	-174.8	178.5	-72	0	0	113	L67 V184 F188 N189 L192 P222 Q229 D258 C259	L67-M255 HydrophobicContact CD2-CB 4.46Å; L67-M255 HydrophobicContact CD2-CE 4.27Å; V184-M255 HydrophobicContact CG1-CE 3.73Å; V184-M255 HydrophobicContact CG1-SD 4.31Å; V184-M255 WeakPolarHBondContact O-CE 3.35Å; F188-M255 HydrophobicContact CD1-CE 4.23Å; F188-M255 HydrophobicContact CD1-SD 4.16Å; N189-M255 HydrophobicContact CB-CE 4.12Å; L192-M255 HydrophobicContact CD1-CE 4.41Å; L192-M255 HydrophobicContact CD1-CG 4.12Å; L192-M255 HydrophobicContact CD1-SD 4.05Å; P222-M255 HydrophobicContact CB-CG 3.6Å; P222-M255 HydrophobicContact CB-SD 3.59Å; P222-M255 VanDerWaalsContact CB-SD 3.59Å; Q229-M255 VanDerWaalsContact OE1-CB 3.3Å; M255-D258 PolarHBondContact O-N 3.48Å; M255-C259 PolarHBondContact O-N 3.27Å; M255-C259 VanDerWaalsContact O-N 3.09Å
256	F	98.8	Very high	97.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-48.3	176.4	-164.1	-72.1	0	0	0	110.7	F223 F230 F241 Y254 D258 C259 I260 L278 W287 V290 L294	F223-F256 HydrophobicContact CB-CD2 4.13Å; F223-F256 HydrophobicContact CB-CE2 3.91Å; F223-F256 HydrophobicContact CD1-CD1 4.25Å; F223-F256 AromaticContact CD1-CD2 3.91Å; F223-F256 HydrophobicContact CD1-CD2 3.91Å; F223-F256 HydrophobicContact CD1-CE1 4.05Å; F223-F256 AromaticContact CD1-CE2 3.71Å; F223-F256 HydrophobicContact CD1-CE2 3.71Å; F223-F256 HydrophobicContact CD1-CG 4.18Å; F223-F256 AromaticContact CD1-CZ 3.77Å; F223-F256 HydrophobicContact CD1-CZ 3.77Å; F223-F256 HydrophobicContact CE1-CE1 4.44Å; F223-F256 HydrophobicContact CG-CE2 4.31Å; F223-F256 WeakPolarHBondContact O-CD2 3.32Å; F230-F256 HydrophobicContact CD2-CB 4.4Å; F230-F256 HydrophobicContact CE2-CB 3.98Å; F241-F256 HydrophobicContact CB-CD1 4.35Å; F241-F256 HydrophobicContact CB-CE1 4.17Å; F241-F256 HydrophobicContact CD1-CD1 4.42Å; F241-F256 AromaticContact CD1-CE1 3.61Å; F241-F256 HydrophobicContact CD1-CE1 3.61Å; F241-F256 HydrophobicContact CD1-CZ 4.11Å; F241-F256 HydrophobicContact CD2-CE1 4.07Å; F241-F256 AromaticContact CE1-CE1 3.95Å; F241-F256 HydrophobicContact CE1-CE1 3.95Å; F241-F256 HydrophobicContact CE1-CZ 4.03Å; F241-F256 HydrophobicContact CE2-CE1 4.37Å; F241-F256 HydrophobicContact CG-CD1 4.37Å; F241-F256 AromaticContact CG-CE1 3.7Å; F241-F256 HydrophobicContact CG-CE1 3.7Å; F241-F256 HydrophobicContact CZ-CE1 4.3Å; F241-F256 HydrophobicContact CZ-CZ 4.38Å; Y254-F256 VanDerWaalsContact C-N 3.27Å; Y254-F256 PolarHBondContact O-N 3.44Å; F256-D258 VanDerWaalsContact C-N 3.34Å; F256-C259 WeakPolarHBondContact O-CB 3.45Å; F256-C259 PolarHBondContact O-N 2.89Å; F256-I260 HydrophobicContact CD1-CD1 4.45Å; F256-I260 HydrophobicContact CD1-CG1 3.97Å; F256-I260 HydrophobicContact CE1-CD1 4.02Å; F256-I260 HydrophobicContact CE1-CG1 3.98Å; F256-I260 WeakPolarHBondContact O-CG1 3.39Å; F256-I260 PolarHBondContact O-N 3.15Å; F256-I260 VanDerWaalsContact O-N 3.11Å; F256-L278 HydrophobicContact CZ-CD2 4.16Å; F256-W287 HydrophobicContact CD1-CH2 4.18Å; F256-W287 HydrophobicContact CD1-CZ3 4.26Å; F256-W287 AromaticContact CD2-CZ3 3.98Å; F256-W287 HydrophobicContact CD2-CZ3 3.98Å; F256-W287 HydrophobicContact CE1-CH2 4.28Å; F256-W287 HydrophobicContact CE1-CZ3 4.24Å; F256-W287 AromaticContact CE2-CZ3 3.95Å; F256-W287 HydrophobicContact CE2-CZ3 3.95Å; F256-W287 HydrophobicContact CG-CH2 4.38Å; F256-W287 HydrophobicContact CG-CZ3 4.15Å; F256-W287 HydrophobicContact CZ-CZ3 4.09Å; F256-V290 HydrophobicContact CE2-CG1 4.42Å; F256-L294 HydrophobicContact CE2-CD1 4.1Å
257	L	98.8	Very high	97.3	Very high	3 Å²	3	40 Å²	40	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-68.9	-34.8	-179.2	-63.7	-174.8	0	0	0	111.3	F230 F241 V247 Q250 H251 Y254 C259 I260 Q261	F230-L257 HydrophobicContact CE2-CG 4.07Å; F230-L257 HydrophobicContact CZ-CD1 3.7Å; F230-L257 HydrophobicContact CZ-CD2 4.36Å; F230-L257 HydrophobicContact CZ-CG 3.7Å; F241-L257 HydrophobicContact CB-CD2 3.53Å; V247-L257 WeakPolarHBondContact CG1-O 3.26Å; V247-L257 HydrophobicContact CG2-CD2 4.32Å; Q250-L257 HydrophobicContact CB-CD1 3.68Å; H251-L257 HydrophobicContact CB-CB 4.1Å; Y254-L257 HydrophobicContact CD2-CD1 4.26Å; Y254-L257 PolarHBondContact O-N 2.89Å; Y254-L257 VanDerWaalsContact O-N 3.07Å; L257-C259 VanDerWaalsContact C-N 3.28Å; L257-C259 PolarHBondContact O-N 2.9Å; L257-I260 CarbonylContact O-C 3.58Å; L257-I260 PolarHBondContact O-N 3.46Å; L257-I260 VanDerWaalsContact O-N 3.1Å; L257-Q261 WeakPolarHBondContact O-CB 3.23Å; L257-Q261 PolarHBondContact O-N 2.9Å
258	D	98.5	Very high	97.1	Very high	23 Å²	23	46.6 Å²	46.6	12%	0.123	23%	0.234	C	C	.	.	H	α-helix	trans	-63	-33.4	173.6	-173.2	58.7	0	0	0	112.8	R196 H251 Y254 M255 F256 F262	R196-D258 IonicContact CZ-OD2 3.82Å; R196-D258 IonicContact NH1-OD1 3.61Å; R196-D258 IonicContact NH1-OD2 2.91Å; R196-D258 PolarHBondContact NH1-OD2 3.47Å; R196-D258 PolarHBondContact NH2-O 3.19Å; R196-D258 IonicContact NH2-OD2 2.79Å; R196-D258 PolarHBondContact NH2-OD2 3.47Å; H251-D258 HydrophobicContact CB-CB 4.4Å; H251-D258 IonicContact ND1-OD1 2.79Å; H251-D258 PolarHBondContact ND1-OD1 2.81Å; Y254-D258 PolarHBondContact O-N 3.03Å; M255-D258 PolarHBondContact O-N 3.48Å; F256-D258 VanDerWaalsContact C-N 3.34Å; D258-F262 PolarHBondContact O-N 2.84Å
259	C	98.6	Very high	96.9	Very high	6 Å²	6	45.3 Å²	45.3	4%	0.041	24%	0.24	C	C	.	.	H	α-helix	trans	-69	-40.7	168.8	-73.1	0	0	0	0	112.8	R196 P222 F223 M255 F256 L257 Q261 F262 I263	R196-C259 PolarHBondContact NH2-SG 3.28Å; P222-C259 VanDerWaalsContact CB-SG 3.52Å; P222-C259 WeakPolarHBondContact CG-SG 3.35Å; F223-C259 HydrophobicContact CD1-CB 4.45Å; F223-C259 HydrophobicContact CE1-CB 3.67Å; F223-C259 HydrophobicContact CE2-CB 4.37Å; F223-C259 HydrophobicContact CZ-CB 3.63Å; M255-C259 PolarHBondContact O-N 3.27Å; M255-C259 VanDerWaalsContact O-N 3.09Å; F256-C259 WeakPolarHBondContact O-CB 3.45Å; F256-C259 PolarHBondContact O-N 2.89Å; L257-C259 VanDerWaalsContact C-N 3.28Å; L257-C259 PolarHBondContact O-N 2.9Å; C259-Q261 VanDerWaalsContact C-N 3.32Å; C259-Q261 PolarHBondContact O-N 3.01Å; C259-F262 PolarHBondContact O-N 3.28Å; C259-I263 WeakPolarHBondContact O-CG1 3.22Å; C259-I263 PolarHBondContact O-N 2.98Å
260	I	98.5	Very high	96.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-40.7	175.3	-59.1	-59.8	0	0	0	111.3	F223 F241 V247 F256 L257 F262 I263 N264 F271 L278	F223-I260 HydrophobicContact CE1-CD1 4.09Å; F241-I260 HydrophobicContact CB-CG1 4.3Å; F241-I260 HydrophobicContact CD2-CD1 3.9Å; F241-I260 HydrophobicContact CD2-CG1 4.08Å; F241-I260 HydrophobicContact CE2-CD1 4.32Å; F241-I260 HydrophobicContact CG-CG1 4.46Å; F241-I260 WeakPolarHBondContact O-CG2 3.32Å; V247-I260 HydrophobicContact CG1-CB 4.41Å; V247-I260 HydrophobicContact CG1-CG2 4.38Å; V247-I260 HydrophobicContact CG2-CB 4.38Å; V247-I260 HydrophobicContact CG2-CG2 3.92Å; F256-I260 HydrophobicContact CD1-CD1 4.45Å; F256-I260 HydrophobicContact CD1-CG1 3.97Å; F256-I260 HydrophobicContact CE1-CD1 4.02Å; F256-I260 HydrophobicContact CE1-CG1 3.98Å; F256-I260 WeakPolarHBondContact O-CG1 3.39Å; F256-I260 PolarHBondContact O-N 3.15Å; F256-I260 VanDerWaalsContact O-N 3.11Å; L257-I260 CarbonylContact O-C 3.58Å; L257-I260 PolarHBondContact O-N 3.46Å; L257-I260 VanDerWaalsContact O-N 3.1Å; I260-F262 VanDerWaalsContact C-N 3.29Å; I260-F262 PolarHBondContact O-N 3.38Å; I260-I263 HydrophobicContact CD1-CD1 4.33Å; I260-I263 WeakPolarHBondContact O-CB 3.33Å; I260-I263 PolarHBondContact O-N 3.06Å; I260-I263 VanDerWaalsContact O-N 3.1Å; I260-N264 PolarHBondContact O-N 3.1Å; I260-F271 HydrophobicContact CD1-CE2 4.43Å; I260-F271 HydrophobicContact CD1-CZ 4.01Å; I260-F271 HydrophobicContact CG2-CE2 4.07Å; I260-L278 HydrophobicContact CD1-CD1 4Å; I260-L278 HydrophobicContact CD1-CD2 4.44Å
261	Q	98.3	Very high	96.7	Very high	25 Å²	25	41.9 Å²	41.9	12%	0.117	23%	0.23	C	C	.	.	H	α-helix	trans	-56	-46.9	175.2	-178.3	59.6	22.2	0	0	110.8	V247 N248 H251 L257 C259 I263 N264 E265	V247-Q261 HydrophobicContact CG1-CB 3.73Å; V247-Q261 VanDerWaalsContact CG1-OE1 3.3Å; N248-Q261 PolarHBondContact OD1-NE2 3.06Å; N248-Q261 PolarHBondContact OD1-OE1 3.16Å; H251-Q261 HydrophobicContact CB-CB 4.32Å; L257-Q261 WeakPolarHBondContact O-CB 3.23Å; L257-Q261 PolarHBondContact O-N 2.9Å; C259-Q261 VanDerWaalsContact C-N 3.32Å; C259-Q261 PolarHBondContact O-N 3.01Å; Q261-I263 VanDerWaalsContact C-N 3.33Å; Q261-I263 PolarHBondContact O-N 3.45Å; Q261-N264 PolarHBondContact O-N 2.75Å; Q261-E265 PolarHBondContact NE2-OE1 3.03Å; Q261-E265 WeakPolarHBondContact O-CG 3.32Å; Q261-E265 PolarHBondContact O-N 3.21Å
262	F	97.4	Very high	96.6	Very high	16 Å²	16	41.6 Å²	41.6	7%	0.07	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-38.5	176.6	-177	-110.6	0	0	0	112.9	R196 R200 D258 C259 I260 E265 M266	R196-F262 HydrophobicContact CB-CD2 4.19Å; R196-F262 HydrophobicContact CB-CE2 3.72Å; R196-F262 HydrophobicContact CB-CZ 3.92Å; R196-F262 HydrophobicContact CG-CD1 3.99Å; R196-F262 HydrophobicContact CG-CD2 3.83Å; R196-F262 HydrophobicContact CG-CE1 3.87Å; R196-F262 HydrophobicContact CG-CE2 3.7Å; R196-F262 HydrophobicContact CG-CG 3.95Å; R196-F262 HydrophobicContact CG-CZ 3.72Å; R200-F262 HydrophobicContact CG-CE2 4.35Å; D258-F262 PolarHBondContact O-N 2.84Å; C259-F262 PolarHBondContact O-N 3.28Å; I260-F262 VanDerWaalsContact C-N 3.29Å; I260-F262 PolarHBondContact O-N 3.38Å; F262-E265 PolarHBondContact O-N 3.44Å; F262-M266 HydrophobicContact CD1-CG 4.31Å; F262-M266 HydrophobicContact CD2-CG 4.11Å; F262-M266 HydrophobicContact CE1-CG 3.92Å; F262-M266 HydrophobicContact CE2-CG 3.7Å; F262-M266 HydrophobicContact CE2-SD 4.02Å; F262-M266 HydrophobicContact CG-CG 4.41Å; F262-M266 HydrophobicContact CZ-CG 3.6Å; F262-M266 HydrophobicContact CZ-SD 4.03Å; F262-M266 WeakPolarHBondContact O-CB 3.35Å; F262-M266 VanDerWaalsContact O-CG 3.23Å; F262-M266 WeakPolarHBondContact O-CG 3.31Å; F262-M266 PolarHBondContact O-N 2.82Å; F262-M266 VanDerWaalsContact O-N 3.11Å
263	I	96.9	Very high	96.5	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.015	23%	0.233	C	C	.	.	H	α-helix	trans	-60.9	-46.4	174.5	-71.3	170	0	0	0	110.7	F223 C259 I260 Q261 E265 M266 K267 F271 S275 L278	F223-I263 HydrophobicContact CZ-CD1 4.13Å; C259-I263 WeakPolarHBondContact O-CG1 3.22Å; C259-I263 PolarHBondContact O-N 2.98Å; I260-I263 HydrophobicContact CD1-CD1 4.33Å; I260-I263 WeakPolarHBondContact O-CB 3.33Å; I260-I263 PolarHBondContact O-N 3.06Å; I260-I263 VanDerWaalsContact O-N 3.1Å; Q261-I263 VanDerWaalsContact C-N 3.33Å; Q261-I263 PolarHBondContact O-N 3.45Å; I263-E265 VanDerWaalsContact C-N 3.27Å; I263-E265 PolarHBondContact O-N 3.48Å; I263-M266 PolarHBondContact O-N 3.47Å; I263-M266 VanDerWaalsContact O-N 3.13Å; I263-K267 HydrophobicContact CG2-CD 4.28Å; I263-K267 PolarHBondContact O-N 3.11Å; I263-F271 HydrophobicContact CG2-CE2 3.97Å; I263-S275 WeakPolarHBondContact CG2-OG 3.16Å; I263-L278 HydrophobicContact CD1-CD1 3.48Å; I263-L278 VanDerWaalsContact CD1-CD1 3.48Å
264	N	96.3	Very high	96.3	Very high	40 Å²	40	41.1 Å²	41.1	21%	0.214	23%	0.231	C	C	.	.	H	α-helix	trans	-64.9	-30.5	-179.7	-66.7	-10.3	0	0	0	112.4	I260 Q261	I260-N264 PolarHBondContact O-N 3.1Å; Q261-N264 PolarHBondContact O-N 2.75Å
265	E	95.6	Very high	96.2	Very high	111 Å²	111	41 Å²	41	52%	0.519	23%	0.232	S	C	.	.	H	α-helix	trans	-72.5	-33	173.3	-72.9	175	-169.4	0	0	113	R200 Q261 F262 I263	R200-E265 IonicContact NH1-OE2 3.11Å; Q261-E265 PolarHBondContact NE2-OE1 3.03Å; Q261-E265 WeakPolarHBondContact O-CG 3.32Å; Q261-E265 PolarHBondContact O-N 3.21Å; F262-E265 PolarHBondContact O-N 3.44Å; I263-E265 VanDerWaalsContact C-N 3.27Å; I263-E265 PolarHBondContact O-N 3.48Å
266	M	93.4	Very high	96.1	Very high	94 Å²	94	43 Å²	43	46%	0.463	24%	0.242	S	C	.	.	H	α-helix	trans	-94	-25.9	-171.3	-70	-61.6	-56.3	0	0	113.8	R200 F262 I263	R200-M266 HydrophobicContact CG-CE 4.42Å; R200-M266 HydrophobicContact CG-SD 3.86Å; F262-M266 HydrophobicContact CD1-CG 4.31Å; F262-M266 HydrophobicContact CD2-CG 4.11Å; F262-M266 HydrophobicContact CE1-CG 3.92Å; F262-M266 HydrophobicContact CE2-CG 3.7Å; F262-M266 HydrophobicContact CE2-SD 4.02Å; F262-M266 HydrophobicContact CG-CG 4.41Å; F262-M266 HydrophobicContact CZ-CG 3.6Å; F262-M266 HydrophobicContact CZ-SD 4.03Å; F262-M266 WeakPolarHBondContact O-CB 3.35Å; F262-M266 VanDerWaalsContact O-CG 3.23Å; F262-M266 WeakPolarHBondContact O-CG 3.31Å; F262-M266 PolarHBondContact O-N 2.82Å; F262-M266 VanDerWaalsContact O-N 3.11Å; I263-M266 PolarHBondContact O-N 3.47Å; I263-M266 VanDerWaalsContact O-N 3.13Å
267	K	93.7	Very high	95.9	Very high	43 Å²	43	45.4 Å²	45.4	19%	0.187	25%	0.254	C	S	.	.			trans	-119.3	139.5	-174.8	-60	-172.7	179	-176	0	110.2	D217 I263 H274	D217-K267 IonicContact OD1-NZ 3.99Å; D217-K267 WeakPolarHBondContact OD2-CE 3.46Å; D217-K267 IonicContact OD2-NZ 3.93Å; D217-K267 PolarHBondContact OD2-NZ 3.01Å; I263-K267 HydrophobicContact CG2-CD 4.28Å; I263-K267 PolarHBondContact O-N 3.11Å; K267-H274 HydrophobicContact CB-CB 4.29Å; K267-H274 HydrophobicContact CD-CB 3.97Å; K267-H274 PolarHBondContact NZ-O 3.37Å
268	T	92.6	Very high	95.9	Very high	138 Å²	138	45.2 Å²	45.2	85%	0.847	25%	0.253	S	S	*	.			trans	-111.3	145.2	178.9	57.5	0	0	0	0	110.6
269	G	94.4	Very high	95.9	Very high	57 Å²	57	49 Å²	49	59%	0.588	27%	0.265	S	S	*	.	S	Bend	trans	106.9	-176	178.7	0	0	0	0	0	112.3	F271 H274	G269-F271 PolarHBondContact O-N 3Å; G269-H274 PolarHBondContact O-NE2 3.39Å
270	P	94.9	Very high	95.8	Very high	72 Å²	72	52.6 Å²	52.6	47%	0.468	28%	0.284	S	S	.	.			trans	-61.6	134.3	-179	-22.1	33.5	0	0	0	112.3	A272 E273 H274	P270-A272 PolarHBondContact O-N 2.9Å; P270-A272 VanDerWaalsContact O-N 3.15Å; P270-E273 HydrophobicContact CB-CG 4.11Å; P270-E273 HydrophobicContact CG-CG 4.3Å; P270-E273 WeakPolarHBondContact O-CB 3.45Å; P270-E273 PolarHBondContact O-N 3.27Å; P270-H274 PolarHBondContact O-CD2 2.91Å; P270-H274 VanDerWaalsContact O-CD2 3.27Å; P270-H274 PolarHBondContact O-N 3.09Å
271	F	95.3	Very high	95.8	Very high	23 Å²	23	53.7 Å²	53.7	10%	0.101	29%	0.29	C	S	.	.	H	α-helix	trans	-54.6	-38.1	-178.8	-167.7	-86.2	0	0	0	113.4	F241 I242 I260 I263 G269 E273 H274 S275 L278 W279	F241-F271 HydrophobicContact CE2-CE1 4.44Å; I242-F271 HydrophobicContact CG2-CD1 3.85Å; I242-F271 HydrophobicContact CG2-CE1 3.92Å; I242-F271 HydrophobicContact CG2-CG 4.42Å; I260-F271 HydrophobicContact CD1-CE2 4.43Å; I260-F271 HydrophobicContact CD1-CZ 4.01Å; I260-F271 HydrophobicContact CG2-CE2 4.07Å; I263-F271 HydrophobicContact CG2-CE2 3.97Å; G269-F271 PolarHBondContact O-N 3Å; F271-E273 PolarHBondContact O-N 3.23Å; F271-H274 WeakPolarHBondContact CA-NE2 3.42Å; F271-H274 AromaticContact CD2-CE1 3.66Å; F271-H274 PolarHBondContact O-N 3.14Å; F271-S275 CarbonylContact O-C 3.54Å; F271-S275 WeakPolarHBondContact O-CA 3.21Å; F271-S275 PolarHBondContact O-N 2.79Å; F271-L278 HydrophobicContact CE1-CB 3.69Å; F271-L278 HydrophobicContact CZ-CB 3.82Å; F271-L278 HydrophobicContact CZ-CD1 4.24Å; F271-W279 HydrophobicContact CB-CE3 4.43Å; F271-W279 HydrophobicContact CD1-CB 4.09Å; F271-W279 HydrophobicContact CD1-CE3 4.05Å; F271-W279 HydrophobicContact CE1-CB 4.38Å
272	A	95.4	Very high	95.8	Very high	33 Å²	33	52.9 Å²	52.9	27%	0.273	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-28	176.9	0	0	0	0	0	113.6	P270 N276 W279	P270-A272 PolarHBondContact O-N 2.9Å; P270-A272 VanDerWaalsContact O-N 3.15Å; A272-N276 WeakPolarHBondContact O-CA 3.43Å; A272-N276 WeakPolarHBondContact O-CB 3.35Å; A272-W279 HydrophobicContact CB-CB 4.35Å; A272-W279 HydrophobicContact CB-CD2 3.67Å; A272-W279 HydrophobicContact CB-CE3 4.16Å; A272-W279 HydrophobicContact CB-CG 3.72Å
273	E	94.4	Very high	95.8	Very high	139 Å²	139	56.1 Å²	56.1	65%	0.65	32%	0.317	S	S	*	.	H	α-helix	trans	-82.8	-36.3	-177.8	-66.8	-178.1	-177	0	0	112.2	V212 P270 F271	V212-E273 WeakPolarHBondContact CG1-O 3.47Å; P270-E273 HydrophobicContact CB-CG 4.11Å; P270-E273 HydrophobicContact CG-CG 4.3Å; P270-E273 WeakPolarHBondContact O-CB 3.45Å; P270-E273 PolarHBondContact O-N 3.27Å; F271-E273 PolarHBondContact O-N 3.23Å
274	H	93.8	Very high	95.9	Very high	29 Å²	29	58 Å²	58	13%	0.134	33%	0.328	C	S	.	.	H	α-helix	trans	-103.7	-15.5	-173.9	69.1	61.4	0	0	0	114.4	K267 G269 P270 F271	K267-H274 HydrophobicContact CB-CB 4.29Å; K267-H274 HydrophobicContact CD-CB 3.97Å; K267-H274 PolarHBondContact NZ-O 3.37Å; G269-H274 PolarHBondContact O-NE2 3.39Å; P270-H274 PolarHBondContact O-CD2 2.91Å; P270-H274 VanDerWaalsContact O-CD2 3.27Å; P270-H274 PolarHBondContact O-N 3.09Å; F271-H274 WeakPolarHBondContact CA-NE2 3.42Å; F271-H274 AromaticContact CD2-CE1 3.66Å; F271-H274 PolarHBondContact O-N 3.14Å
275	S	96	Very high	96	Very high	6 Å²	6	60.7 Å²	60.7	4%	0.042	35%	0.348	C	S	.	.			trans	-140.2	46.6	-177.5	-64.5	0	0	0	0	111.6	I263 F271 Q277 L278 W279	I263-S275 WeakPolarHBondContact CG2-OG 3.16Å; F271-S275 CarbonylContact O-C 3.54Å; F271-S275 WeakPolarHBondContact O-CA 3.21Å; F271-S275 PolarHBondContact O-N 2.79Å; S275-Q277 VanDerWaalsContact C-N 3.33Å; S275-Q277 PolarHBondContact O-N 3.33Å; S275-L278 PolarHBondContact O-N 3.28Å; S275-L278 VanDerWaalsContact O-N 3.12Å; S275-W279 PolarHBondContact O-N 3.29Å
276	N	96.1	Very high	96.1	Very high	42 Å²	42	57.5 Å²	57.5	23%	0.225	34%	0.338	C	S	.	.	H	α-helix	trans	-56.6	-37.3	-171.7	-172.3	46.1	0	0	0	114.6	V212 A272 W279 N280	V212-N276 HydrophobicContact CB-CB 4.49Å; A272-N276 WeakPolarHBondContact O-CA 3.43Å; A272-N276 WeakPolarHBondContact O-CB 3.35Å; N276-W279 WeakPolarHBondContact O-CB 3.17Å; N276-W279 PolarHBondContact O-N 3.44Å; N276-N280 VanDerWaalsContact O-CG 3.29Å; N276-N280 PolarHBondContact O-N 2.96Å; N276-N280 PolarHBondContact O-ND2 3.29Å; N276-N280 VanDerWaalsContact O-ND2 3.11Å
277	Q	96.1	Very high	96.3	Very high	50 Å²	50	53.6 Å²	53.6	23%	0.234	32%	0.318	C	S	.	.	H	α-helix	trans	-63.5	-47.2	176.2	-70.5	-63.7	-15.1	0	0	111.9	W213 G214 S275 W279 N280 I281	W213-Q277 WeakPolarHBondContact O-CG 3.42Å; G214-Q277 WeakPolarHBondContact O-CB 3.47Å; G214-Q277 WeakPolarHBondContact O-CG 2.87Å; S275-Q277 VanDerWaalsContact C-N 3.33Å; S275-Q277 PolarHBondContact O-N 3.33Å; Q277-W279 VanDerWaalsContact C-N 3.31Å; Q277-W279 PolarHBondContact O-N 2.9Å; Q277-N280 PolarHBondContact O-N 3.29Å; Q277-I281 VanDerWaalsContact O-CG1 3.28Å; Q277-I281 WeakPolarHBondContact O-CG1 3.2Å; Q277-I281 PolarHBondContact O-N 3.05Å
278	L	97.6	Very high	96.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.8	-39.8	174.1	-74.7	166.5	0	0	0	110.8	L215 F223 F241 F256 I260 I263 F271 S275 N280 I281 S282	L215-L278 HydrophobicContact CD1-CD2 3.63Å; L215-L278 HydrophobicContact CD1-CG 3.99Å; L215-L278 HydrophobicContact CG-CD2 4.33Å; L215-L278 VanDerWaalsContact O-CD1 3.23Å; L215-L278 WeakPolarHBondContact O-CD1 3.31Å; L215-L278 WeakPolarHBondContact O-CG 3.15Å; F223-L278 HydrophobicContact CD1-CD2 4Å; F223-L278 HydrophobicContact CE1-CD1 4.08Å; F223-L278 HydrophobicContact CE1-CD2 3.9Å; F223-L278 HydrophobicContact CZ-CD1 4.09Å; F223-L278 HydrophobicContact CZ-CD2 4.48Å; F241-L278 HydrophobicContact CE2-CB 4.31Å; F241-L278 WeakPolarHBondContact CE2-O 3.37Å; F241-L278 WeakPolarHBondContact CZ-O 3.35Å; F256-L278 HydrophobicContact CZ-CD2 4.16Å; I260-L278 HydrophobicContact CD1-CD1 4Å; I260-L278 HydrophobicContact CD1-CD2 4.44Å; I263-L278 HydrophobicContact CD1-CD1 3.48Å; I263-L278 VanDerWaalsContact CD1-CD1 3.48Å; F271-L278 HydrophobicContact CE1-CB 3.69Å; F271-L278 HydrophobicContact CZ-CB 3.82Å; F271-L278 HydrophobicContact CZ-CD1 4.24Å; S275-L278 PolarHBondContact O-N 3.28Å; S275-L278 VanDerWaalsContact O-N 3.12Å; L278-N280 VanDerWaalsContact C-N 3.34Å; L278-N280 PolarHBondContact O-N 3.33Å; L278-I281 WeakPolarHBondContact O-CB 3.3Å; L278-I281 PolarHBondContact O-N 3.38Å; L278-I281 VanDerWaalsContact O-N 3.11Å; L278-S282 PolarHBondContact O-N 3.25Å
279	W	97.8	Very high	96.8	Very high	102 Å²	102	52.7 Å²	52.7	39%	0.386	31%	0.308	S	S	.	.	H	α-helix	trans	-56	-47.8	174.3	176.5	-99.2	0	0	0	112.1	I242 F271 A272 S275 N276 Q277 I281 S282	I242-W279 HydrophobicContact CB-CE3 4.36Å; I242-W279 HydrophobicContact CB-CZ3 4.2Å; I242-W279 HydrophobicContact CD1-CE3 3.87Å; I242-W279 HydrophobicContact CD1-CH2 3.75Å; I242-W279 HydrophobicContact CD1-CZ3 3.28Å; I242-W279 HydrophobicContact CG1-CZ3 4.31Å; I242-W279 HydrophobicContact CG2-CE3 3.94Å; I242-W279 HydrophobicContact CG2-CZ3 4.28Å; F271-W279 HydrophobicContact CB-CE3 4.43Å; F271-W279 HydrophobicContact CD1-CB 4.09Å; F271-W279 HydrophobicContact CD1-CE3 4.05Å; F271-W279 HydrophobicContact CE1-CB 4.38Å; A272-W279 HydrophobicContact CB-CB 4.35Å; A272-W279 HydrophobicContact CB-CD2 3.67Å; A272-W279 HydrophobicContact CB-CE3 4.16Å; A272-W279 HydrophobicContact CB-CG 3.72Å; S275-W279 PolarHBondContact O-N 3.29Å; N276-W279 WeakPolarHBondContact O-CB 3.17Å; N276-W279 PolarHBondContact O-N 3.44Å; Q277-W279 VanDerWaalsContact C-N 3.31Å; Q277-W279 PolarHBondContact O-N 2.9Å; W279-I281 VanDerWaalsContact C-N 3.29Å; W279-I281 PolarHBondContact O-N 2.75Å; W279-S282 WeakPolarHBondContact O-CB 3.34Å; W279-S282 PolarHBondContact O-N 2.91Å; W279-S282 VanDerWaalsContact O-N 3.11Å; W279-S282 PolarHBondContact O-OG 2.99Å
280	N	97.6	Very high	97.1	Very high	81 Å²	81	50.2 Å²	50.2	43%	0.433	28%	0.281	S	S	.	.	H	α-helix	trans	-64.5	-34.6	177.1	-67	-35.3	0	0	0	112.4	N276 Q277 L278 S282 A283	N276-N280 VanDerWaalsContact O-CG 3.29Å; N276-N280 PolarHBondContact O-N 2.96Å; N276-N280 PolarHBondContact O-ND2 3.29Å; N276-N280 VanDerWaalsContact O-ND2 3.11Å; Q277-N280 PolarHBondContact O-N 3.29Å; L278-N280 VanDerWaalsContact C-N 3.34Å; L278-N280 PolarHBondContact O-N 3.33Å; N280-S282 PolarHBondContact O-N 3.36Å; N280-A283 PolarHBondContact O-N 3.01Å
281	I	98.3	Very high	97.2	Very high	23 Å²	23	47.2 Å²	47.2	12%	0.118	26%	0.261	C	S	.	.	H	α-helix	trans	-65.4	-28.6	175.7	-70.6	164.6	0	0	0	111.5	L215 F241 Q277 L278 W279 A283 V284 V290 L294	L215-I281 HydrophobicContact CD1-CD1 3.48Å; L215-I281 VanDerWaalsContact CD1-CD1 3.48Å; F241-I281 HydrophobicContact CE1-CG2 4.24Å; F241-I281 HydrophobicContact CZ-CB 4.38Å; F241-I281 HydrophobicContact CZ-CG2 4.22Å; Q277-I281 VanDerWaalsContact O-CG1 3.28Å; Q277-I281 WeakPolarHBondContact O-CG1 3.2Å; Q277-I281 PolarHBondContact O-N 3.05Å; L278-I281 WeakPolarHBondContact O-CB 3.3Å; L278-I281 PolarHBondContact O-N 3.38Å; L278-I281 VanDerWaalsContact O-N 3.11Å; W279-I281 VanDerWaalsContact C-N 3.29Å; W279-I281 PolarHBondContact O-N 2.75Å; I281-A283 PolarHBondContact O-N 3.16Å; I281-V284 VanDerWaalsContact O-CB 3.28Å; I281-V284 WeakPolarHBondContact O-CB 3.34Å; I281-V284 WeakPolarHBondContact O-CG2 3.44Å; I281-V284 PolarHBondContact O-N 2.95Å; I281-V290 HydrophobicContact CG2-CB 4.49Å; I281-V290 HydrophobicContact CG2-CG1 3.75Å; I281-V290 HydrophobicContact CG2-CG2 3.99Å; I281-L294 HydrophobicContact CD1-CD2 4Å
282	S	98.2	Very high	97.4	Very high	9 Å²	9	50.6 Å²	50.6	6%	0.063	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-24.1	177.9	94.7	0	0	0	0	112.3	P238 R239 F241 L278 W279 N280 V284	P238-S282 CarbonylContact C-O 3.5Å; R239-S282 WeakPolarHBondContact CA-O 3.48Å; R239-S282 WeakPolarHBondContact CB-O 3.19Å; R239-S282 PolarHBondContact N-O 3.18Å; F241-S282 VanDerWaalsContact CZ-CB 3.44Å; L278-S282 PolarHBondContact O-N 3.25Å; W279-S282 WeakPolarHBondContact O-CB 3.34Å; W279-S282 PolarHBondContact O-N 2.91Å; W279-S282 VanDerWaalsContact O-N 3.11Å; W279-S282 PolarHBondContact O-OG 2.99Å; N280-S282 PolarHBondContact O-N 3.36Å; S282-V284 VanDerWaalsContact C-N 3.31Å
283	A	98.3	Very high	97.6	Very high	84 Å²	84	50.3 Å²	50.3	69%	0.694	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-5.9	176.2	0	0	0	0	0	114	N280 I281	N280-A283 PolarHBondContact O-N 3.01Å; I281-A283 PolarHBondContact O-N 3.16Å
284	V	98.3	Very high	97.8	Very high	41 Å²	41	43.8 Å²	43.8	25%	0.248	25%	0.247	C	C	.	.	S	Bend	trans	-68.5	133.6	176.2	177.3	0	0	0	0	109.1	P238 I281 S282 S286 K289 V290	P238-V284 WeakPolarHBondContact CB-O 3.49Å; P238-V284 WeakPolarHBondContact CG-O 3.3Å; I281-V284 VanDerWaalsContact O-CB 3.28Å; I281-V284 WeakPolarHBondContact O-CB 3.34Å; I281-V284 WeakPolarHBondContact O-CG2 3.44Å; I281-V284 PolarHBondContact O-N 2.95Å; S282-V284 VanDerWaalsContact C-N 3.31Å; V284-S286 VanDerWaalsContact C-N 3.3Å; V284-S286 PolarHBondContact O-N 3Å; V284-K289 HydrophobicContact CG1-CB 3.63Å; V284-V290 HydrophobicContact CB-CG2 3.68Å; V284-V290 HydrophobicContact CG1-CG2 3.64Å; V284-V290 HydrophobicContact CG2-CG2 4.38Å
285	P	97.4	Very high	98	Very high	98 Å²	98	43.6 Å²	43.6	64%	0.636	25%	0.246	S	C	*	.	S	Bend	trans	-74.8	-12.3	-165.7	27.1	-36	0	0	0	115.1	K289	P285-K289 HydrophobicContact CG-CD 3.95Å
286	S	98.3	Very high	98.1	Very high	43 Å²	43	50.9 Å²	50.9	30%	0.301	27%	0.273	S	S	.	.			trans	-154.9	150.6	178.1	71.4	0	0	0	0	113	V284 S288 K289 V290	V284-S286 VanDerWaalsContact C-N 3.3Å; V284-S286 PolarHBondContact O-N 3Å; S286-S288 VanDerWaalsContact C-N 3.29Å; S286-S288 PolarHBondContact O-N 3.16Å; S286-K289 PolarHBondContact O-N 3.43Å; S286-K289 VanDerWaalsContact O-N 3.08Å; S286-K289 PolarHBondContact OG-N 3.44Å; S286-V290 WeakPolarHBondContact O-CG2 3.17Å; S286-V290 PolarHBondContact O-N 3.23Å
287	W	98.7	Very high	98.2	Very high	13 Å²	13	50.9 Å²	50.9	5%	0.049	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-33	177.6	-70	110.7	0	0	0	113.7	F230 I231 L236 E237 P238 F241 F256 K289 V290 N291	F230-W287 HydrophobicContact CB-CB 3.87Å; F230-W287 VanDerWaalsContact CB-CD1 3.45Å; F230-W287 HydrophobicContact CB-CD2 3.36Å; F230-W287 HydrophobicContact CB-CE3 3.98Å; F230-W287 HydrophobicContact CB-CG 3.31Å; F230-W287 HydrophobicContact CB-CZ2 4.2Å; F230-W287 HydrophobicContact CD1-CZ2 4.21Å; F230-W287 HydrophobicContact CD2-CD2 4.19Å; F230-W287 AromaticContact CD2-CE2 4Å; F230-W287 HydrophobicContact CD2-CE3 4.2Å; F230-W287 AromaticContact CD2-CH2 3.8Å; F230-W287 HydrophobicContact CD2-CH2 3.8Å; F230-W287 AromaticContact CD2-CZ2 3.81Å; F230-W287 HydrophobicContact CD2-CZ2 3.81Å; F230-W287 HydrophobicContact CD2-CZ3 4.02Å; F230-W287 HydrophobicContact CE2-CH2 4.13Å; F230-W287 HydrophobicContact CE2-CZ2 4.21Å; F230-W287 AromaticContact CG-CD2 3.91Å; F230-W287 HydrophobicContact CG-CD2 3.91Å; F230-W287 AromaticContact CG-CE2 3.63Å; F230-W287 HydrophobicContact CG-CE3 4.37Å; F230-W287 HydrophobicContact CG-CG 4.3Å; F230-W287 HydrophobicContact CG-CH2 4.28Å; F230-W287 AromaticContact CG-CZ2 3.83Å; F230-W287 HydrophobicContact CG-CZ2 3.83Å; F230-W287 AromaticContact CG-NE1 3.89Å; I231-W287 HydrophobicContact CG1-CB 4.45Å; L236-W287 PolarHBondContact O-NE1 2.98Å; E237-W287 VanDerWaalsContact C-NE1 3.31Å; P238-W287 HydrophobicContact CG-CD2 3.79Å; P238-W287 HydrophobicContact CG-CE3 4.21Å; P238-W287 HydrophobicContact CG-CG 4Å; F241-W287 HydrophobicContact CB-CH2 4.37Å; F241-W287 AromaticContact CD1-CH2 3.65Å; F241-W287 HydrophobicContact CD1-CH2 3.65Å; F241-W287 HydrophobicContact CD1-CZ2 4.39Å; F241-W287 HydrophobicContact CD1-CZ3 4.23Å; F241-W287 HydrophobicContact CE1-CH2 4.46Å; F241-W287 HydrophobicContact CG-CH2 4.48Å; F256-W287 HydrophobicContact CD1-CH2 4.18Å; F256-W287 HydrophobicContact CD1-CZ3 4.26Å; F256-W287 AromaticContact CD2-CZ3 3.98Å; F256-W287 HydrophobicContact CD2-CZ3 3.98Å; F256-W287 HydrophobicContact CE1-CH2 4.28Å; F256-W287 HydrophobicContact CE1-CZ3 4.24Å; F256-W287 AromaticContact CE2-CZ3 3.95Å; F256-W287 HydrophobicContact CE2-CZ3 3.95Å; F256-W287 HydrophobicContact CG-CH2 4.38Å; F256-W287 HydrophobicContact CG-CZ3 4.15Å; F256-W287 HydrophobicContact CZ-CZ3 4.09Å; W287-K289 VanDerWaalsContact C-N 3.32Å; W287-K289 PolarHBondContact O-N 2.82Å; W287-V290 HydrophobicContact CE3-CB 4.3Å; W287-V290 HydrophobicContact CE3-CG1 4.24Å; W287-V290 HydrophobicContact CE3-CG2 4.45Å; W287-V290 HydrophobicContact CZ3-CG1 4.47Å; W287-V290 WeakPolarHBondContact O-CB 3.15Å; W287-V290 PolarHBondContact O-N 3.18Å; W287-N291 WeakPolarHBondContact O-CB 3.43Å; W287-N291 PolarHBondContact O-N 2.83Å
288	S	98.6	Very high	98.3	Very high	43 Å²	43	48.5 Å²	48.5	30%	0.301	26%	0.261	S	S	.	.	H	α-helix	trans	-60.5	-41.3	172.6	178.5	0	0	0	0	111.7	S286 Q292	S286-S288 VanDerWaalsContact C-N 3.29Å; S286-S288 PolarHBondContact O-N 3.16Å; S288-Q292 VanDerWaalsContact O-CG 3.25Å; S288-Q292 WeakPolarHBondContact O-CG 3.44Å; S288-Q292 PolarHBondContact O-N 3.28Å; S288-Q292 VanDerWaalsContact O-N 3.07Å; S288-Q292 PolarHBondContact OG-NE2 3.14Å
289	K	98.6	Very high	98.4	Very high	119 Å²	119	51.8 Å²	51.8	52%	0.517	28%	0.275	S	S	.	.	H	α-helix	trans	-70.7	-37.5	174.7	-74.5	-178.4	178.9	-180	0	112.4	V284 P285 S286 W287 G293	V284-K289 HydrophobicContact CG1-CB 3.63Å; P285-K289 HydrophobicContact CG-CD 3.95Å; S286-K289 PolarHBondContact O-N 3.43Å; S286-K289 VanDerWaalsContact O-N 3.08Å; S286-K289 PolarHBondContact OG-N 3.44Å; W287-K289 VanDerWaalsContact C-N 3.32Å; W287-K289 PolarHBondContact O-N 2.82Å; K289-G293 PolarHBondContact O-N 2.93Å
290	V	98.8	Very high	98.3	Very high	4 Å²	4	49 Å²	49	2%	0.024	27%	0.274	C	S	.	.	H	α-helix	trans	-57.9	-52.7	172.6	172.5	0	0	0	0	109.9	P238 F256 I281 V284 S286 W287 Q292 G293 L294	P238-V290 HydrophobicContact CB-CG2 3.97Å; P238-V290 HydrophobicContact CG-CG2 3.69Å; F256-V290 HydrophobicContact CE2-CG1 4.42Å; I281-V290 HydrophobicContact CG2-CB 4.49Å; I281-V290 HydrophobicContact CG2-CG1 3.75Å; I281-V290 HydrophobicContact CG2-CG2 3.99Å; V284-V290 HydrophobicContact CB-CG2 3.68Å; V284-V290 HydrophobicContact CG1-CG2 3.64Å; V284-V290 HydrophobicContact CG2-CG2 4.38Å; S286-V290 WeakPolarHBondContact O-CG2 3.17Å; S286-V290 PolarHBondContact O-N 3.23Å; W287-V290 HydrophobicContact CE3-CB 4.3Å; W287-V290 HydrophobicContact CE3-CG1 4.24Å; W287-V290 HydrophobicContact CE3-CG2 4.45Å; W287-V290 HydrophobicContact CZ3-CG1 4.47Å; W287-V290 WeakPolarHBondContact O-CB 3.15Å; W287-V290 PolarHBondContact O-N 3.18Å; V290-Q292 PolarHBondContact O-N 3.49Å; V290-G293 PolarHBondContact O-N 3.39Å; V290-G293 VanDerWaalsContact O-N 3.14Å; V290-L294 HydrophobicContact CG1-CD1 3.66Å; V290-L294 HydrophobicContact CG1-CG 4.19Å; V290-L294 WeakPolarHBondContact O-CB 3.48Å; V290-L294 WeakPolarHBondContact O-CG 3.16Å; V290-L294 PolarHBondContact O-N 3.47Å
291	N	98.9	Very high	98.2	Very high	9 Å²	9	48.4 Å²	48.4	5%	0.048	27%	0.269	C	S	.	.	H	α-helix	trans	-58.9	-48.8	-178.6	-175.3	-103.7	0	0	0	112.2	N59 I224 S227 I231 W287 G293 L294 I295	N59-N291 PolarHBondContact ND2-OD1 2.8Å; N59-N291 PolarHBondContact OD1-ND2 3.05Å; I224-N291 PolarHBondContact O-ND2 2.88Å; S227-N291 WeakPolarHBondContact OG-CA 3.33Å; S227-N291 WeakPolarHBondContact OG-CB 3.32Å; S227-N291 PolarHBondContact OG-ND2 3.46Å; S227-N291 VanDerWaalsContact OG-ND2 3.11Å; I231-N291 HydrophobicContact CD1-CB 4.28Å; W287-N291 WeakPolarHBondContact O-CB 3.43Å; W287-N291 PolarHBondContact O-N 2.83Å; N291-G293 VanDerWaalsContact C-N 3.31Å; N291-G293 PolarHBondContact O-N 3.32Å; N291-L294 PolarHBondContact O-N 3.39Å; N291-I295 WeakPolarHBondContact O-CG1 3.41Å; N291-I295 PolarHBondContact O-N 3.11Å; N291-I295 WeakPolarHBondContact OD1-CD1 3.38Å
292	Q	98.8	Very high	98.1	Very high	95 Å²	95	47.3 Å²	47.3	44%	0.444	26%	0.263	S	S	.	.	H	α-helix	trans	-60.4	-40.5	175.6	-69.7	171.1	33.4	0	0	112.5	S288 V290 R296	S288-Q292 VanDerWaalsContact O-CG 3.25Å; S288-Q292 WeakPolarHBondContact O-CG 3.44Å; S288-Q292 PolarHBondContact O-N 3.28Å; S288-Q292 VanDerWaalsContact O-N 3.07Å; S288-Q292 PolarHBondContact OG-NE2 3.14Å; V290-Q292 PolarHBondContact O-N 3.49Å; Q292-R296 PolarHBondContact O-N 2.9Å
293	G	98.7	Very high	98	Very high	26 Å²	26	46.9 Å²	46.9	27%	0.268	26%	0.26	S	S	.	.	H	α-helix	trans	-62.3	-48.1	175.5	0	0	0	0	0	112.1	K289 V290 N291 I295 R296 M297	K289-G293 PolarHBondContact O-N 2.93Å; V290-G293 PolarHBondContact O-N 3.39Å; V290-G293 VanDerWaalsContact O-N 3.14Å; N291-G293 VanDerWaalsContact C-N 3.31Å; N291-G293 PolarHBondContact O-N 3.32Å; G293-I295 PolarHBondContact O-N 3.12Å; G293-R296 PolarHBondContact O-N 3Å; G293-M297 WeakPolarHBondContact O-CB 3.09Å; G293-M297 PolarHBondContact O-N 3.48Å
294	L	98.8	Very high	97.9	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-64	-39.2	179	-72.4	174.9	0	0	0	112.3	L215 F220 F223 I224 F256 I281 V290 N291 R296 M297 Y298	L215-L294 HydrophobicContact CD1-CD2 3.82Å; L215-L294 HydrophobicContact CD2-CD2 3.73Å; L215-L294 HydrophobicContact CG-CD2 4.46Å; F220-L294 HydrophobicContact CE1-CB 4.32Å; F220-L294 HydrophobicContact CE1-CD2 4.18Å; F220-L294 WeakPolarHBondContact CE1-O 3.47Å; F220-L294 HydrophobicContact CZ-CD2 4.41Å; F223-L294 HydrophobicContact CB-CD1 3.9Å; F223-L294 VanDerWaalsContact O-CD1 3.32Å; F223-L294 WeakPolarHBondContact O-CD1 3.42Å; I224-L294 HydrophobicContact CG1-CB 3.88Å; F256-L294 HydrophobicContact CE2-CD1 4.1Å; I281-L294 HydrophobicContact CD1-CD2 4Å; V290-L294 HydrophobicContact CG1-CD1 3.66Å; V290-L294 HydrophobicContact CG1-CG 4.19Å; V290-L294 WeakPolarHBondContact O-CB 3.48Å; V290-L294 WeakPolarHBondContact O-CG 3.16Å; V290-L294 PolarHBondContact O-N 3.47Å; N291-L294 PolarHBondContact O-N 3.39Å; L294-R296 VanDerWaalsContact C-N 3.35Å; L294-R296 PolarHBondContact O-N 3.28Å; L294-M297 PolarHBondContact O-N 3.31Å; L294-Y298 VanDerWaalsContact O-CB 3.31Å; L294-Y298 WeakPolarHBondContact O-CB 3.39Å; L294-Y298 PolarHBondContact O-N 3.09Å
295	I	98.8	Very high	97.7	Very high	25 Å²	25	47.6 Å²	47.6	13%	0.128	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-43.6	174.2	-70.1	164.2	0	0	0	111.1	L56 I224 N291 G293 Y298 K299	L56-I295 HydrophobicContact CD2-CD1 3.83Å; L56-I295 HydrophobicContact CD2-CG1 4.29Å; L56-I295 HydrophobicContact CD2-CG2 3.94Å; I224-I295 HydrophobicContact CG2-CD1 4.45Å; I224-I295 HydrophobicContact CG2-CG1 3.87Å; N291-I295 WeakPolarHBondContact O-CG1 3.41Å; N291-I295 PolarHBondContact O-N 3.11Å; N291-I295 WeakPolarHBondContact OD1-CD1 3.38Å; G293-I295 PolarHBondContact O-N 3.12Å; I295-Y298 PolarHBondContact O-N 3.36Å; I295-K299 PolarHBondContact O-N 3.22Å
296	R	98.6	Very high	97.6	Very high	158 Å²	158	45 Å²	45	60%	0.596	22%	0.224	S	C	*	.	H	α-helix	trans	-65.1	-43.6	175.8	-73.3	-172.9	-68.8	-115.7	-2	111.7	Q292 G293 L294 Y298 K299 A300	Q292-R296 PolarHBondContact O-N 2.9Å; G293-R296 PolarHBondContact O-N 3Å; L294-R296 VanDerWaalsContact C-N 3.35Å; L294-R296 PolarHBondContact O-N 3.28Å; R296-Y298 VanDerWaalsContact C-N 3.34Å; R296-Y298 PolarHBondContact O-N 3.47Å; R296-K299 PolarHBondContact O-N 3.5Å; R296-A300 PolarHBondContact O-N 2.78Å; R296-A300 VanDerWaalsContact O-N 3.09Å
297	M	97.9	Very high	97.3	Very high	42 Å²	42	46.7 Å²	46.7	21%	0.207	23%	0.234	C	C	.	.	H	α-helix	trans	-64.7	-37.8	178.3	-175.3	-177	-178.5	0	0	111.5	L215 F220 G293 L294 K299 A300 E301	L215-M297 HydrophobicContact CB-CE 4.07Å; F220-M297 HydrophobicContact CE2-CG 4.08Å; F220-M297 HydrophobicContact CE2-SD 4.35Å; F220-M297 HydrophobicContact CZ-CB 3.86Å; F220-M297 HydrophobicContact CZ-CG 3.71Å; F220-M297 HydrophobicContact CZ-SD 4.01Å; G293-M297 WeakPolarHBondContact O-CB 3.09Å; G293-M297 PolarHBondContact O-N 3.48Å; L294-M297 PolarHBondContact O-N 3.31Å; M297-K299 PolarHBondContact O-N 3.48Å; M297-A300 PolarHBondContact O-N 2.86Å; M297-E301 HydrophobicContact CE-CG 4.49Å; M297-E301 HydrophobicContact CG-CB 4.48Å; M297-E301 HydrophobicContact CG-CG 4.1Å; M297-E301 WeakPolarHBondContact O-CB 3.43Å; M297-E301 PolarHBondContact O-N 3.28Å
298	Y	98.4	Very high	97.1	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-63.6	-41.3	176.6	-175.1	-119.4	0	0	0	112.5	Y51 F220 L221 I224 L294 I295 R296 C302 L303	Y51-Y298 AromaticContact CE1-CE1 4Å; Y51-Y298 HydrophobicContact CE1-CE1 4Å; Y51-Y298 PolarHBondContact OH-OH 3.22Å; F220-Y298 HydrophobicContact CB-CD2 3.85Å; F220-Y298 HydrophobicContact CB-CE2 3.97Å; F220-Y298 AromaticContact CD1-CD2 3.49Å; F220-Y298 HydrophobicContact CD1-CD2 3.49Å; F220-Y298 VanDerWaalsContact CD1-CD2 3.49Å; F220-Y298 HydrophobicContact CD1-CE2 4.38Å; F220-Y298 HydrophobicContact CD1-CG 4.02Å; F220-Y298 AromaticContact CD2-CD2 3.94Å; F220-Y298 HydrophobicContact CD2-CD2 3.94Å; F220-Y298 HydrophobicContact CE1-CD2 4.04Å; F220-Y298 HydrophobicContact CE1-CG 4.21Å; F220-Y298 HydrophobicContact CE2-CD2 4.39Å; F220-Y298 AromaticContact CG-CD2 3.47Å; F220-Y298 HydrophobicContact CG-CD2 3.47Å; F220-Y298 VanDerWaalsContact CG-CD2 3.47Å; F220-Y298 HydrophobicContact CG-CE2 4.12Å; F220-Y298 HydrophobicContact CG-CG 4.42Å; F220-Y298 HydrophobicContact CZ-CD2 4.45Å; L221-Y298 HydrophobicContact CD2-CD1 4.37Å; L221-Y298 HydrophobicContact CD2-CE1 3.74Å; L221-Y298 HydrophobicContact CD2-CE2 4.06Å; L221-Y298 HydrophobicContact CG-CE2 4.42Å; I224-Y298 HydrophobicContact CD1-CD1 4.02Å; I224-Y298 HydrophobicContact CD1-CD2 4.32Å; I224-Y298 HydrophobicContact CD1-CG 3.75Å; L294-Y298 VanDerWaalsContact O-CB 3.31Å; L294-Y298 WeakPolarHBondContact O-CB 3.39Å; L294-Y298 PolarHBondContact O-N 3.09Å; I295-Y298 PolarHBondContact O-N 3.36Å; R296-Y298 VanDerWaalsContact C-N 3.34Å; R296-Y298 PolarHBondContact O-N 3.47Å; Y298-C302 HydrophobicContact CD2-CB 3.56Å; Y298-C302 HydrophobicContact CE2-CB 3.55Å; Y298-C302 VanDerWaalsContact CE2-SG 3.5Å; Y298-C302 HydrophobicContact CG-CB 4.39Å; Y298-C302 WeakPolarHBondContact O-CA 2.77Å; Y298-C302 WeakPolarHBondContact O-CB 3.43Å; Y298-C302 PolarHBondContact O-N 3.44Å; Y298-L303 HydrophobicContact CD1-CD1 4.07Å; Y298-L303 HydrophobicContact CD1-CG 4.17Å; Y298-L303 HydrophobicContact CE1-CD1 3.83Å; Y298-L303 HydrophobicContact CE1-CD2 3.97Å; Y298-L303 HydrophobicContact CE1-CG 3.89Å; Y298-L303 PolarHBondContact O-N 3.23Å
299	K	97.8	Very high	96.9	Very high	68 Å²	68	45.2 Å²	45.2	30%	0.296	23%	0.225	S	C	.	.	I	π-helix	trans	-57.9	-55.6	170.8	-69.1	-179.2	179.1	-172.8	0	110.1	M52 I295 R296 M297 L303 E304	M52-K299 VanDerWaalsContact CE-CE 3.45Å; M52-K299 HydrophobicContact CE-CG 4.39Å; M52-K299 HydrophobicContact SD-CG 4.17Å; I295-K299 PolarHBondContact O-N 3.22Å; R296-K299 PolarHBondContact O-N 3.5Å; M297-K299 PolarHBondContact O-N 3.48Å; K299-L303 CarbonylContact O-C 3.5Å; K299-L303 PolarHBondContact O-N 2.77Å; K299-E304 WeakPolarHBondContact O-CB 3.47Å; K299-E304 WeakPolarHBondContact O-CG 3.12Å; K299-E304 PolarHBondContact O-N 2.66Å
300	A	96.6	Very high	96.7	Very high	44 Å²	44	41.5 Å²	41.5	36%	0.364	21%	0.209	S	C	.	.	I	π-helix	trans	-65.5	-46.3	-174.2	0	0	0	0	0	114.2	R296 M297	R296-A300 PolarHBondContact O-N 2.78Å; R296-A300 VanDerWaalsContact O-N 3.09Å; M297-A300 PolarHBondContact O-N 2.86Å
301	E	95.4	Very high	96.5	Very high	68 Å²	68	44.6 Å²	44.6	32%	0.318	22%	0.223	S	C	.	.	I	π-helix	trans	-99.3	-12.8	-168.7	-63.1	-55.1	140.2	0	0	114.3	Q210 M297 K305	Q210-E301 PolarHBondContact NE2-OE2 2.94Å; M297-E301 HydrophobicContact CE-CG 4.49Å; M297-E301 HydrophobicContact CG-CB 4.48Å; M297-E301 HydrophobicContact CG-CG 4.1Å; M297-E301 WeakPolarHBondContact O-CB 3.43Å; M297-E301 PolarHBondContact O-N 3.28Å; E301-K305 VanDerWaalsContact O-CB 3.3Å; E301-K305 WeakPolarHBondContact O-CB 3.16Å; E301-K305 IonicContact OE2-NZ 3.29Å; E301-K305 PolarHBondContact OE2-NZ 2.8Å
302	C	95.4	Very high	96.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.224	C	C	.	.	I	π-helix	trans	-114.4	-65.5	173	-174.4	0	0	0	0	111.3	Y298 E304 K305	Y298-C302 HydrophobicContact CD2-CB 3.56Å; Y298-C302 HydrophobicContact CE2-CB 3.55Å; Y298-C302 VanDerWaalsContact CE2-SG 3.5Å; Y298-C302 HydrophobicContact CG-CB 4.39Å; Y298-C302 WeakPolarHBondContact O-CA 2.77Å; Y298-C302 WeakPolarHBondContact O-CB 3.43Å; Y298-C302 PolarHBondContact O-N 3.44Å; C302-E304 PolarHBondContact O-N 3.18Å; C302-K305 PolarHBondContact O-N 3.11Å
303	L	96.4	Very high	96.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.213	C	C	.	.	I	π-helix	trans	-75.9	-26.5	-169.1	-54	-176.2	0	0	0	113.9	W42 Y48 Y51 M52 Y298 K299 I309	W42-L303 HydrophobicContact CZ2-CD2 4.48Å; W42-L303 PolarHBondContact NE1-O 3.24Å; Y48-L303 HydrophobicContact CE2-CB 4.06Å; Y48-L303 HydrophobicContact CE2-CD1 4.01Å; Y51-L303 HydrophobicContact CD1-CD1 4.11Å; Y51-L303 HydrophobicContact CD1-CD2 4.28Å; Y51-L303 HydrophobicContact CE1-CD1 4.02Å; Y51-L303 HydrophobicContact CE1-CD2 3.74Å; M52-L303 HydrophobicContact CG-CD1 4.02Å; M52-L303 HydrophobicContact SD-CD1 3.22Å; M52-L303 WeakPolarHBondContact SD-CD1 3.35Å; Y298-L303 HydrophobicContact CD1-CD1 4.07Å; Y298-L303 HydrophobicContact CD1-CG 4.17Å; Y298-L303 HydrophobicContact CE1-CD1 3.83Å; Y298-L303 HydrophobicContact CE1-CD2 3.97Å; Y298-L303 HydrophobicContact CE1-CG 3.89Å; Y298-L303 PolarHBondContact O-N 3.23Å; K299-L303 CarbonylContact O-C 3.5Å; K299-L303 PolarHBondContact O-N 2.77Å; L303-I309 HydrophobicContact CD2-CD1 3.99Å
304	E	96	Very high	96.4	Very high	73 Å²	73	41.9 Å²	41.9	34%	0.341	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	4.8	178.6	-59	-175.4	-161.5	0	0	112.2	M39 K43 K299 C302	M39-E304 VanDerWaalsContact CE-O 3.31Å; M39-E304 WeakPolarHBondContact CE-O 3.06Å; K43-E304 HydrophobicContact CD-CG 4.27Å; K43-E304 VanDerWaalsContact NZ-CD 3.3Å; K43-E304 IonicContact NZ-OE2 2.75Å; K43-E304 PolarHBondContact NZ-OE2 3.19Å; K299-E304 WeakPolarHBondContact O-CB 3.47Å; K299-E304 WeakPolarHBondContact O-CG 3.12Å; K299-E304 PolarHBondContact O-N 2.66Å; C302-E304 PolarHBondContact O-N 3.18Å
305	K	94.3	Very high	96.3	Very high	68 Å²	68	42.1 Å²	42.1	30%	0.296	21%	0.205	S	C	.	.			trans	-95.4	103.7	177.6	-158.2	72.2	164.8	-142	0	109.4	E301 C302 V308 I309	E301-K305 VanDerWaalsContact O-CB 3.3Å; E301-K305 WeakPolarHBondContact O-CB 3.16Å; E301-K305 IonicContact OE2-NZ 3.29Å; E301-K305 PolarHBondContact OE2-NZ 2.8Å; C302-K305 PolarHBondContact O-N 3.11Å; K305-V308 HydrophobicContact CB-CB 4.21Å; K305-V308 HydrophobicContact CB-CG2 3.95Å; K305-V308 HydrophobicContact CG-CG2 3.92Å; K305-V308 WeakPolarHBondContact O-CB 3.28Å; K305-V308 PolarHBondContact O-N 3.03Å; K305-I309 PolarHBondContact O-N 2.99Å
306	F	94.8	Very high	96.2	Very high	42 Å²	42	42.5 Å²	42.5	18%	0.184	21%	0.21	C	C	.	.	H	α-helix	trans	-49.8	-48.6	-177.3	171.3	-93.3	0	0	0	113.7	I33 S34 M35 V36 M39 V308 I309 Q310	I33-F306 HydrophobicContact CG2-CD2 3.76Å; I33-F306 HydrophobicContact CG2-CE2 3.79Å; S34-F306 WeakPolarHBondContact O-CZ 3.47Å; M35-F306 VanDerWaalsContact C-CE2 3.42Å; V36-F306 HydrophobicContact CG2-CB 4.39Å; V36-F306 HydrophobicContact CG2-CD1 4.32Å; V36-F306 HydrophobicContact CG2-CG 4.15Å; M39-F306 HydrophobicContact CG-CB 4.15Å; M39-F306 HydrophobicContact CG-CD2 4.2Å; M39-F306 HydrophobicContact SD-CB 3.91Å; M39-F306 HydrophobicContact SD-CD2 4Å; M39-F306 HydrophobicContact SD-CG 4.47Å; F306-V308 PolarHBondContact O-N 2.75Å; F306-V308 VanDerWaalsContact O-N 3.1Å; F306-I309 PolarHBondContact O-N 3.08Å; F306-Q310 HydrophobicContact CD2-CB 4.29Å; F306-Q310 HydrophobicContact CE2-CB 3.98Å; F306-Q310 HydrophobicContact CZ-CB 4.1Å; F306-Q310 WeakPolarHBondContact O-CB 3.33Å; F306-Q310 VanDerWaalsContact O-CG 3.3Å; F306-Q310 WeakPolarHBondContact O-CG 3.42Å; F306-Q310 PolarHBondContact O-N 3.28Å
307	P	93.4	Very high	96.2	Very high	80 Å²	80	35.8 Å²	35.8	52%	0.519	19%	0.186	S	C	.	.	H	α-helix	trans	-55.8	-29.9	178.4	-28.8	35.8	0	0	0	115.1	Q310	P307-Q310 PolarHBondContact O-NE2 3.19Å
308	V	93.5	Very high	96.2	Very high	23 Å²	23	33.8 Å²	33.8	14%	0.139	18%	0.176	C	C	.	.	H	α-helix	trans	-83.3	-56.6	-179.7	-179	0	0	0	0	110.1	T156 K305 F306 Q310	T156-V308 WeakPolarHBondContact OG1-CG1 3.36Å; K305-V308 HydrophobicContact CB-CB 4.21Å; K305-V308 HydrophobicContact CB-CG2 3.95Å; K305-V308 HydrophobicContact CG-CG2 3.92Å; K305-V308 WeakPolarHBondContact O-CB 3.28Å; K305-V308 PolarHBondContact O-N 3.03Å; F306-V308 PolarHBondContact O-N 2.75Å; F306-V308 VanDerWaalsContact O-N 3.1Å; V308-Q310 PolarHBondContact O-N 3.04Å
309	I	95.2	Very high	96.1	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-84	-10.9	-168.5	-154.7	63.4	0	0	0	114.2	I33 M39 W42 L303 K305 F306 H311 F312	I33-I309 HydrophobicContact CD1-CG1 4.44Å; I33-I309 HydrophobicContact CD1-CG2 4.03Å; M39-I309 HydrophobicContact CE-CG2 3.57Å; M39-I309 HydrophobicContact SD-CG2 3.62Å; W42-I309 HydrophobicContact CZ2-CD1 3.95Å; W42-I309 HydrophobicContact CZ2-CG1 3.85Å; L303-I309 HydrophobicContact CD2-CD1 3.99Å; K305-I309 PolarHBondContact O-N 2.99Å; F306-I309 PolarHBondContact O-N 3.08Å; I309-H311 PolarHBondContact O-N 3.45Å; I309-F312 HydrophobicContact CD1-CB 3.92Å; I309-F312 HydrophobicContact CD1-CD2 3.75Å; I309-F312 HydrophobicContact CD1-CG 4.14Å; I309-F312 HydrophobicContact CG1-CB 4.05Å; I309-F312 VanDerWaalsContact O-CB 3.25Å; I309-F312 WeakPolarHBondContact O-CB 3.46Å; I309-F312 PolarHBondContact O-N 3.23Å
310	Q	94.6	Very high	96.1	Very high	42 Å²	42	33.2 Å²	33.2	20%	0.196	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-15.2	178.6	64.1	172.9	-46	0	0	114.3	K31 I33 F306 P307 V308	K31-Q310 WeakPolarHBondContact CD-O 3.41Å; K31-Q310 WeakPolarHBondContact CE-O 3.33Å; K31-Q310 PolarHBondContact NZ-O 3.36Å; I33-Q310 HydrophobicContact CG2-CB 4.37Å; F306-Q310 HydrophobicContact CD2-CB 4.29Å; F306-Q310 HydrophobicContact CE2-CB 3.98Å; F306-Q310 HydrophobicContact CZ-CB 4.1Å; F306-Q310 WeakPolarHBondContact O-CB 3.33Å; F306-Q310 VanDerWaalsContact O-CG 3.3Å; F306-Q310 WeakPolarHBondContact O-CG 3.42Å; F306-Q310 PolarHBondContact O-N 3.28Å; P307-Q310 PolarHBondContact O-NE2 3.19Å; V308-Q310 PolarHBondContact O-N 3.04Å
311	H	94.6	Very high	96.1	Very high	69 Å²	69	37 Å²	37	32%	0.319	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-10.7	178	-61.9	-67	0	0	0	113.2	I309 K313	I309-H311 PolarHBondContact O-N 3.45Å; H311-K313 PolarHBondContact O-N 3.07Å
312	F	97.3	Very high	96.1	Very high	14 Å²	14	38.1 Å²	38.1	6%	0.061	20%	0.202	C	C	.	.			trans	-59.3	134.4	176.4	-158.3	-83.8	0	0	0	110.5	W42 Y51 A164 I309 F314 L318	W42-F312 HydrophobicContact CH2-CD1 4.15Å; W42-F312 HydrophobicContact CH2-CD2 4.37Å; W42-F312 AromaticContact CH2-CE1 4Å; W42-F312 HydrophobicContact CH2-CE1 4Å; W42-F312 HydrophobicContact CH2-CE2 4.21Å; W42-F312 HydrophobicContact CH2-CG 4.33Å; W42-F312 HydrophobicContact CH2-CZ 4.02Å; W42-F312 HydrophobicContact CZ3-CD1 4.01Å; W42-F312 AromaticContact CZ3-CE1 3.94Å; W42-F312 HydrophobicContact CZ3-CE1 3.94Å; W42-F312 HydrophobicContact CZ3-CZ 4.4Å; Y51-F312 HydrophobicContact CD2-CE2 4.27Å; Y51-F312 HydrophobicContact CD2-CZ 4.33Å; Y51-F312 HydrophobicContact CE2-CE2 4.42Å; A164-F312 HydrophobicContact CB-CE2 4Å; A164-F312 HydrophobicContact CB-CZ 3.93Å; I309-F312 HydrophobicContact CD1-CB 3.92Å; I309-F312 HydrophobicContact CD1-CD2 3.75Å; I309-F312 HydrophobicContact CD1-CG 4.14Å; I309-F312 HydrophobicContact CG1-CB 4.05Å; I309-F312 VanDerWaalsContact O-CB 3.25Å; I309-F312 WeakPolarHBondContact O-CB 3.46Å; I309-F312 PolarHBondContact O-N 3.23Å; F312-F314 HydrophobicContact CB-CE2 4.38Å; F312-F314 HydrophobicContact CB-CZ 4.41Å; F312-F314 HydrophobicContact CD1-CD1 4.39Å; F312-F314 AromaticContact CD1-CE1 3.86Å; F312-F314 HydrophobicContact CD1-CE1 3.86Å; F312-F314 HydrophobicContact CD1-CE2 4.02Å; F312-F314 AromaticContact CD1-CZ 3.65Å; F312-F314 HydrophobicContact CD1-CZ 3.65Å; F312-F314 HydrophobicContact CE1-CE1 4.21Å; F312-F314 HydrophobicContact CE1-CZ 4.43Å; F312-F314 HydrophobicContact CG-CZ 4.42Å; F312-F314 VanDerWaalsContact O-CE2 3.29Å; F312-F314 WeakPolarHBondContact O-CE2 3.2Å; F312-L318 HydrophobicContact CE1-CD1 4.36Å; F312-L318 HydrophobicContact CZ-CD1 4.04Å
313	K	98	Very high	96	Very high	51 Å²	51	40 Å²	40	22%	0.222	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	150.3	-177.3	-54.9	-70.3	-178.5	159.8	0	110.2	P29 K30 V140 Y141 E144 H311	P29-K313 HydrophobicContact CB-CB 3.47Å; P29-K313 VanDerWaalsContact CB-CB 3.47Å; K30-K313 CarbonylContact O-C 3.48Å; K30-K313 WeakPolarHBondContact O-CA 3.35Å; V140-K313 HydrophobicContact CG1-CB 4.42Å; V140-K313 HydrophobicContact CG1-CG 4.15Å; Y141-K313 HydrophobicContact CE1-CB 4.44Å; Y141-K313 WeakPolarHBondContact CE1-O 3.46Å; E144-K313 HydrophobicContact CG-CG 4.24Å; E144-K313 WeakPolarHBondContact OE1-CE 3.39Å; E144-K313 IonicContact OE1-NZ 2.63Å; H311-K313 PolarHBondContact O-N 3.07Å
314	F	98.4	Very high	95.3	Very high	7 Å²	7	47.9 Å²	47.9	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	125.9	-175.2	-60.6	-89.6	0	0	0	110	P29 K30 E32 I33 W42 A47 F312 L318 I320	P29-F314 CarbonylContact C-O 3.52Å; P29-F314 VanDerWaalsContact CA-O 3.22Å; P29-F314 WeakPolarHBondContact CA-O 3.38Å; K30-F314 PolarHBondContact N-O 3.47Å; K30-F314 PolarHBondContact O-N 3.25Å; E32-F314 HydrophobicContact CB-CD2 3.55Å; E32-F314 HydrophobicContact CB-CE2 3.97Å; E32-F314 HydrophobicContact CB-CG 4.19Å; E32-F314 HydrophobicContact CG-CB 3.89Å; E32-F314 HydrophobicContact CG-CD2 3.71Å; E32-F314 HydrophobicContact CG-CG 3.99Å; I33-F314 HydrophobicContact CD1-CE2 4.03Å; I33-F314 HydrophobicContact CD1-CZ 3.87Å; I33-F314 HydrophobicContact CG1-CE2 3.99Å; I33-F314 HydrophobicContact CG1-CZ 4.17Å; W42-F314 HydrophobicContact CD2-CZ 4.3Å; W42-F314 AromaticContact CE3-CE1 3.42Å; W42-F314 HydrophobicContact CE3-CE1 3.42Å; W42-F314 VanDerWaalsContact CE3-CE1 3.42Å; W42-F314 AromaticContact CE3-CZ 3.46Å; W42-F314 HydrophobicContact CE3-CZ 3.46Å; W42-F314 VanDerWaalsContact CE3-CZ 3.46Å; W42-F314 AromaticContact CZ3-CE1 3.52Å; W42-F314 HydrophobicContact CZ3-CE1 3.52Å; W42-F314 AromaticContact CZ3-CZ 3.78Å; W42-F314 HydrophobicContact CZ3-CZ 3.78Å; A47-F314 HydrophobicContact CB-CD1 3.85Å; A47-F314 HydrophobicContact CB-CE1 3.77Å; F312-F314 HydrophobicContact CB-CE2 4.38Å; F312-F314 HydrophobicContact CB-CZ 4.41Å; F312-F314 HydrophobicContact CD1-CD1 4.39Å; F312-F314 AromaticContact CD1-CE1 3.86Å; F312-F314 HydrophobicContact CD1-CE1 3.86Å; F312-F314 HydrophobicContact CD1-CE2 4.02Å; F312-F314 AromaticContact CD1-CZ 3.65Å; F312-F314 HydrophobicContact CD1-CZ 3.65Å; F312-F314 HydrophobicContact CE1-CE1 4.21Å; F312-F314 HydrophobicContact CE1-CZ 4.43Å; F312-F314 HydrophobicContact CG-CZ 4.42Å; F312-F314 VanDerWaalsContact O-CE2 3.29Å; F312-F314 WeakPolarHBondContact O-CE2 3.2Å; F314-L318 VanDerWaalsContact CA-O 3.3Å; F314-L318 WeakPolarHBondContact CA-O 3.34Å; F314-I320 HydrophobicContact CB-CB 4.14Å; F314-I320 HydrophobicContact CD1-CB 3.78Å; F314-I320 HydrophobicContact CD1-CD1 3.83Å; F314-I320 HydrophobicContact CD1-CG1 4.35Å; F314-I320 HydrophobicContact CD2-CD1 4.41Å; F314-I320 HydrophobicContact CE1-CB 4.39Å; F314-I320 HydrophobicContact CE1-CD1 3.55Å; F314-I320 HydrophobicContact CE2-CD1 4.19Å; F314-I320 HydrophobicContact CG-CB 3.94Å; F314-I320 HydrophobicContact CG-CD1 4.25Å; F314-I320 HydrophobicContact CZ-CD1 3.76Å
315	G	97.2	Very high	93.8	Very high	8 Å²	8	53 Å²	53	8%	0.082	29%	0.292	C	S	.	.			trans	-128.3	-152.6	179.1	0	0	0	0	0	111.5	E137 L318 S319	E137-G315 WeakPolarHBondContact OE1-CA 3.15Å; G315-L318 PolarHBondContact N-O 3.11Å; G315-L318 VanDerWaalsContact N-O 3.09Å; G315-S319 WeakPolarHBondContact O-CA 3.25Å
316	S	97.1	Very high	93.7	Very high	33 Å²	33	52.3 Å²	52.3	23%	0.231	29%	0.291	C	S	.	.	S	Bend	trans	-75.3	-37.4	174.3	73.6	0	0	0	0	112	E137	E137-S316 PolarHBondContact OE1-N 2.84Å; E137-S316 PolarHBondContact OE1-OG 2.86Å; E137-S316 WeakPolarHBondContact OE2-CB 3.18Å; E137-S316 PolarHBondContact OE2-N 3.19Å; E137-S316 PolarHBondContact OE2-OG 3.01Å
317	L	97.1	Very high	93.7	Very high	18 Å²	18	52.8 Å²	52.8	9%	0.094	30%	0.297	C	S	.	.	S	Bend	trans	-77.2	-35.9	-176.6	-68.1	175	0	0	0	112.6	Y26 E137 I138 C168 K171 V172	Y26-L317 HydrophobicContact CD1-CD1 4.48Å; Y26-L317 HydrophobicContact CD1-CG 4.34Å; Y26-L317 HydrophobicContact CE1-CD1 4.35Å; Y26-L317 HydrophobicContact CE1-CD2 4.08Å; Y26-L317 HydrophobicContact CE1-CG 4.26Å; E137-L317 HydrophobicContact CG-CD1 4.27Å; E137-L317 WeakPolarHBondContact OE1-CB 3.34Å; E137-L317 PolarHBondContact OE1-N 2.78Å; I138-L317 HydrophobicContact CD1-CD1 4.06Å; I138-L317 HydrophobicContact CG1-CD1 3.69Å; C168-L317 HydrophobicContact CB-CD1 3.86Å; K171-L317 HydrophobicContact CB-CD2 4.27Å; K171-L317 VanDerWaalsContact CD-O 3.23Å; K171-L317 WeakPolarHBondContact CD-O 3.46Å; K171-L317 WeakPolarHBondContact CE-O 3.5Å; V172-L317 HydrophobicContact CG1-CD1 3.9Å; V172-L317 HydrophobicContact CG1-CD2 3.79Å
318	L	97.9	Very high	93.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-124.5	86.8	174.4	-66.9	171.1	0	0	0	107.7	A47 D50 Y141 A164 F312 F314 G315	A47-L318 HydrophobicContact CB-CB 3.88Å; D50-L318 HydrophobicContact CB-CD2 4.05Å; Y141-L318 HydrophobicContact CE1-CD1 3.89Å; A164-L318 HydrophobicContact CB-CD1 3.7Å; F312-L318 HydrophobicContact CE1-CD1 4.36Å; F312-L318 HydrophobicContact CZ-CD1 4.04Å; F314-L318 VanDerWaalsContact CA-O 3.3Å; F314-L318 WeakPolarHBondContact CA-O 3.34Å; G315-L318 PolarHBondContact N-O 3.11Å; G315-L318 VanDerWaalsContact N-O 3.09Å
319	S	97.2	Very high	93.7	Very high	29 Å²	29	53 Å²	53	20%	0.203	29%	0.293	C	S	.	.			trans	-87.1	138.7	-170.9	-178.8	0	0	0	0	113	Q46 A47 G315 Q321	Q46-S319 PolarHBondContact N-O 3.05Å; A47-S319 VanDerWaalsContact CB-O 3.25Å; A47-S319 WeakPolarHBondContact CB-O 3.46Å; A47-S319 PolarHBondContact N-O 2.86Å; G315-S319 WeakPolarHBondContact O-CA 3.25Å; S319-Q321 PolarHBondContact O-N 3.4Å; S319-Q321 WeakPolarHBondContact OG-CB 3.48Å; S319-Q321 VanDerWaalsContact OG-CG 3.31Å; S319-Q321 WeakPolarHBondContact OG-CG 3.2Å; S319-Q321 PolarHBondContact OG-N 3.02Å; S319-Q321 VanDerWaalsContact OG-N 3.17Å
320	I	97.5	Very high	93.6	Very high	28 Å²	28	56.3 Å²	56.3	14%	0.144	31%	0.311	C	S	.	.			trans	-71.5	-12.5	171.9	-165	62.1	0	0	0	112.6	E32 K41 S45 F314	E32-I320 HydrophobicContact CB-CB 4.32Å; E32-I320 HydrophobicContact CB-CD1 4.1Å; E32-I320 HydrophobicContact CB-CG1 3.86Å; E32-I320 HydrophobicContact CG-CB 4.08Å; E32-I320 HydrophobicContact CG-CG1 4.15Å; E32-I320 HydrophobicContact CG-CG2 4.03Å; K41-I320 HydrophobicContact CB-CD1 4.4Å; S45-I320 WeakPolarHBondContact CB-O 3.29Å; F314-I320 HydrophobicContact CB-CB 4.14Å; F314-I320 HydrophobicContact CD1-CB 3.78Å; F314-I320 HydrophobicContact CD1-CD1 3.83Å; F314-I320 HydrophobicContact CD1-CG1 4.35Å; F314-I320 HydrophobicContact CD2-CD1 4.41Å; F314-I320 HydrophobicContact CE1-CB 4.39Å; F314-I320 HydrophobicContact CE1-CD1 3.55Å; F314-I320 HydrophobicContact CE2-CD1 4.19Å; F314-I320 HydrophobicContact CG-CB 3.94Å; F314-I320 HydrophobicContact CG-CD1 4.25Å; F314-I320 HydrophobicContact CZ-CD1 3.76Å
321	Q	96.5	Very high	93.5	Very high	122 Å²	122	57.2 Å²	57.2	57%	0.57	32%	0.319	S	S	*	.	S	Bend	trans	-60.3	149.2	178.8	-63.6	-57	-34.5	0	0	110.9	S45 Q46 S319 A323	S45-Q321 CarbonylContact C-O 3.6Å; S45-Q321 VanDerWaalsContact CA-O 3.27Å; S45-Q321 WeakPolarHBondContact CA-O 3.34Å; Q46-Q321 PolarHBondContact N-O 2.93Å; S319-Q321 PolarHBondContact O-N 3.4Å; S319-Q321 WeakPolarHBondContact OG-CB 3.48Å; S319-Q321 VanDerWaalsContact OG-CG 3.31Å; S319-Q321 WeakPolarHBondContact OG-CG 3.2Å; S319-Q321 PolarHBondContact OG-N 3.02Å; S319-Q321 VanDerWaalsContact OG-N 3.17Å; Q321-A323 PolarHBondContact O-N 3.21Å
322	P	96	Very high	93.5	Very high	93 Å²	93	56.4 Å²	56.4	60%	0.604	32%	0.319	S	S	*	.	B	Isolated β-bridge	trans	-52.4	139.8	178.6	-25.8	34.6	0	0	0	112.1	R44 K324	R44-P322 CarbonylContact O-C 3.58Å; R44-P322 WeakPolarHBondContact O-CA 3.28Å; P322-K324 PolarHBondContact O-N 3.38Å
323	A	92.2	Very high	93.2	Very high	40 Å²	40	59.6 Å²	59.6	33%	0.331	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-59.4	137.2	176.1	0	0	0	0	0	110.2	R44 Q46 A49 Q321	R44-A323 PolarHBondContact O-N 2.94Å; Q46-A323 VanDerWaalsContact OE1-CA 3.32Å; A49-A323 HydrophobicContact CB-CB 4.02Å; Q321-A323 PolarHBondContact O-N 3.21Å
324	K	82.9	Confident	92.8	Very high	165 Å²	165	60.3 Å²	60.3	72%	0.717	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-67.2	143	174.2	-65.6	-178.6	-177.8	178.4	0	109.4	P322	P322-K324 PolarHBondContact O-N 3.38Å
325	P	63.4	Low	92.3	Very high	181 Å²	181	65.2 Å²	65.2	100%	1.175	38%	0.377	S	S	*	.			trans	-56.9	0	-178.8	-23.2	33.6	0	0	0	114.5

Retrieved 325 of 325 residues in 200.2 ms (Link to these results)

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