A0A087YLG0_POEFO Loading...

Inositol oxygenase

AlphaFold DB , UniProt , Accession A0A087YLG0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 284 aa.

Structure Viewer

Loading PAE data...

(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	34.3	Very low	36.8	Very low	245 Å²	245	116.9 Å²	116.9	100%	1.207	64%	0.637	S	S	*	*				0	105.9	0	-80.3	162.3	167.3	0	0	107.8
2	R	24.7	Very low	37.5	Very low	242 Å²	242	111.1 Å²	111.1	91%	0.913	60%	0.604	S	S	*	*			trans	-88.7	109.6	169.3	-81.9	-178.9	175.9	175.1	-1.6	105.9	V4	R2-V4 VanDerWaalsContact C-N 3.34Å; R2-V4 PolarHBondContact O-N 3.1Å
3	V	28.5	Very low	38.2	Very low	137 Å²	137	109.4 Å²	109.4	83%	0.83	61%	0.614	S	S	*	*			trans	-62.3	103.8	162.8	179.3	0	0	0	0	105	N5	V3-N5 PolarHBondContact O-N 3Å
4	V	30.3	Very low	38.7	Very low	115 Å²	115	103.8 Å²	103.8	70%	0.697	58%	0.579	S	S	*	*			trans	-72.1	108.4	169.2	-179.9	0	0	0	0	104.5	R2 I6	R2-V4 VanDerWaalsContact C-N 3.34Å; R2-V4 PolarHBondContact O-N 3.1Å; V4-I6 HydrophobicContact CG1-CG1 4.36Å; V4-I6 PolarHBondContact O-N 2.84Å
5	N	29.6	Very low	39.8	Very low	152 Å²	152	98.7 Å²	98.7	81%	0.813	55%	0.547	S	S	*	.			trans	-70.1	89.2	174.3	-154.5	15.4	0	0	0	106.4	V3 G7	V3-N5 PolarHBondContact O-N 3Å; N5-G7 PolarHBondContact O-N 2.88Å; N5-G7 VanDerWaalsContact O-N 3.17Å
6	I	39.1	Very low	40.4	Very low	122 Å²	122	95.7 Å²	95.7	63%	0.626	53%	0.534	S	S	*	.			trans	-67.4	110.7	171.4	-56.4	172	0	0	0	104.5	V4	V4-I6 HydrophobicContact CG1-CG1 4.36Å; V4-I6 PolarHBondContact O-N 2.84Å
7	G	37.3	Very low	40.7	Very low	49 Å²	49	97.3 Å²	97.3	51%	0.505	54%	0.541	S	S	.	.			trans	-57.4	166.5	177.6	0	0	0	0	0	111.8	N5	N5-G7 PolarHBondContact O-N 2.88Å; N5-G7 VanDerWaalsContact O-N 3.17Å
8	P	41.8	Very low	41.1	Very low	111 Å²	111	94.2 Å²	94.2	72%	0.721	52%	0.523	S	S	*	.			trans	-51.9	141.4	-178	19	-30.1	0	0	0	111.9	L12	P8-L12 HydrophobicContact CB-CD1 3.46Å; P8-L12 VanDerWaalsContact CB-CD1 3.46Å
9	D	49.7	Very low	41.4	Very low	38 Å²	38	100.2 Å²	100.2	20%	0.203	55%	0.546	C	S	.	.			trans	-45.9	124	174.8	-179	-15.4	0	0	0	109.8	S11 L12 S226	D9-S11 PolarHBondContact O-N 2.98Å; D9-S11 VanDerWaalsContact OD1-CB 3.31Å; D9-S11 WeakPolarHBondContact OD1-CB 3.4Å; D9-S11 PolarHBondContact OD1-N 2.64Å; D9-S11 PolarHBondContact OD1-OG 3.07Å; D9-S11 PolarHBondContact OD2-OG 2.96Å; D9-L12 HydrophobicContact CB-CD1 4.23Å; D9-L12 HydrophobicContact CB-CG 4.29Å; D9-L12 WeakPolarHBondContact O-CB 3.42Å; D9-L12 VanDerWaalsContact O-CG 3.28Å; D9-L12 WeakPolarHBondContact O-CG 3.48Å; D9-L12 PolarHBondContact O-N 3.03Å; D9-S226 PolarHBondContact OD2-OG 3.43Å
10	P	42.1	Very low	41.7	Very low	72 Å²	72	100.4 Å²	100.4	47%	0.468	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-53.1	-21.1	177.5	-26.3	34.3	0	0	0	114.8	L12 A13	P10-L12 PolarHBondContact O-N 3.01Å; P10-A13 PolarHBondContact O-N 3.2Å
11	S	47.8	Very low	42	Very low	3 Å²	3	99.5 Å²	99.5	2%	0.021	55%	0.548	C	S	.	.	G	3₁₀ helix	trans	-62.2	-28.2	173.8	71.3	0	0	0	0	112	D9 A13 Y14 Y254	D9-S11 PolarHBondContact O-N 2.98Å; D9-S11 VanDerWaalsContact OD1-CB 3.31Å; D9-S11 WeakPolarHBondContact OD1-CB 3.4Å; D9-S11 PolarHBondContact OD1-N 2.64Å; D9-S11 PolarHBondContact OD1-OG 3.07Å; D9-S11 PolarHBondContact OD2-OG 2.96Å; S11-A13 PolarHBondContact O-N 3.03Å; S11-Y14 PolarHBondContact O-N 2.98Å; S11-Y254 VanDerWaalsContact C-CE2 3.43Å; S11-Y254 WeakPolarHBondContact O-CE2 3.27Å; S11-Y254 PolarHBondContact OG-OH 3.1Å
12	L	45.4	Very low	42.5	Very low	47 Å²	47	95.3 Å²	95.3	25%	0.246	52%	0.523	C	S	.	.	G	3₁₀ helix	trans	-61.3	-11.8	-179.2	-66.4	167.8	0	0	0	115.1	P8 D9 P10 R15 K24 Y254	P8-L12 HydrophobicContact CB-CD1 3.46Å; P8-L12 VanDerWaalsContact CB-CD1 3.46Å; D9-L12 HydrophobicContact CB-CD1 4.23Å; D9-L12 HydrophobicContact CB-CG 4.29Å; D9-L12 WeakPolarHBondContact O-CB 3.42Å; D9-L12 VanDerWaalsContact O-CG 3.28Å; D9-L12 WeakPolarHBondContact O-CG 3.48Å; D9-L12 PolarHBondContact O-N 3.03Å; P10-L12 PolarHBondContact O-N 3.01Å; L12-R15 VanDerWaalsContact CD2-NH2 3.29Å; L12-K24 HydrophobicContact CD2-CB 4.25Å; L12-K24 PolarHBondContact O-NZ 3.21Å; L12-Y254 WeakPolarHBondContact CD2-OH 3.24Å
13	A	46.2	Very low	43.8	Very low	89 Å²	89	88.1 Å²	88.1	74%	0.736	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-77.9	-25.7	179.5	0	0	0	0	0	114.3	P10 S11	P10-A13 PolarHBondContact O-N 3.2Å; S11-A13 PolarHBondContact O-N 3.03Å
14	Y	45.6	Very low	45	Very low	31 Å²	31	84.4 Å²	84.4	12%	0.122	47%	0.473	C	S	.	.			trans	-104.9	106.5	-178.2	-179.3	-97.7	0	0	0	111	S11 P16 E108 K250 F251 Y254	S11-Y14 PolarHBondContact O-N 2.98Å; Y14-P16 HydrophobicContact CE1-CG 4.3Å; Y14-E108 HydrophobicContact CE2-CG 3.36Å; Y14-E108 VanDerWaalsContact OH-CD 3.26Å; Y14-E108 WeakPolarHBondContact OH-CG 3.44Å; Y14-E108 PolarHBondContact OH-OE1 3.08Å; Y14-K250 HydrophobicContact CD1-CB 3.86Å; Y14-K250 HydrophobicContact CG-CB 4.2Å; Y14-K250 HydrophobicContact CG-CD 4.3Å; Y14-F251 HydrophobicContact CD1-CD1 4.23Å; Y14-F251 HydrophobicContact CD1-CE1 4.05Å; Y14-F251 HydrophobicContact CD1-CZ 4.48Å; Y14-F251 AromaticContact CE1-CD1 3.48Å; Y14-F251 HydrophobicContact CE1-CD1 3.48Å; Y14-F251 VanDerWaalsContact CE1-CD1 3.48Å; Y14-F251 AromaticContact CE1-CE1 3.25Å; Y14-F251 HydrophobicContact CE1-CE1 3.25Å; Y14-F251 HydrophobicContact CE1-CG 4.43Å; Y14-F251 HydrophobicContact CE1-CZ 4.04Å; Y14-F251 HydrophobicContact CE2-CE1 4.16Å; Y14-F251 HydrophobicContact CE2-CZ 4.47Å; Y14-F251 AromaticContact CZ-CE1 3.34Å; Y14-F251 WeakPolarHBondContact OH-CE1 3.33Å; Y14-Y254 WeakPolarHBondContact O-CD2 3.46Å
15	R	54.4	Low	46.2	Very low	28 Å²	28	86.6 Å²	86.6	11%	0.106	48%	0.475	C	S	.	.			trans	-148.6	102.6	174.4	-63.9	-161.5	-177	-154.7	8.8	111.9	L12 N17 L18 E23 K24 Y254	L12-R15 VanDerWaalsContact CD2-NH2 3.29Å; R15-N17 VanDerWaalsContact C-N 3.27Å; R15-N17 PolarHBondContact O-N 3.19Å; R15-L18 HydrophobicContact CB-CB 4.33Å; R15-E23 PolarHBondContact NH1-O 2.93Å; R15-K24 VanDerWaalsContact CZ-CA 3.46Å; R15-K24 VanDerWaalsContact CZ-CB 3.42Å; R15-K24 VanDerWaalsContact CZ-CG 3.43Å; R15-K24 VanDerWaalsContact NH2-CA 3.27Å; R15-K24 VanDerWaalsContact NH2-CB 3.3Å; R15-K24 PolarHBondContact NH2-O 3.4Å; R15-Y254 HydrophobicContact CG-CD2 4.38Å; R15-Y254 HydrophobicContact CG-CG 4.19Å
16	P	49.8	Very low	47.9	Very low	50 Å²	50	85.5 Å²	85.5	33%	0.325	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-14.8	-177.6	25.9	-31.7	0	0	0	114.4	Y14	Y14-P16 HydrophobicContact CE1-CG 4.3Å
17	N	45.6	Very low	49.6	Very low	123 Å²	123	82.5 Å²	82.5	66%	0.658	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.1	6.2	-169.7	-66.2	-16	0	0	0	115.6	R15	R15-N17 VanDerWaalsContact C-N 3.27Å; R15-N17 PolarHBondContact O-N 3.19Å
18	L	47.7	Very low	51.9	Low	42 Å²	42	82.2 Å²	82.2	22%	0.22	43%	0.43	C	S	.	.			trans	-128.6	105.8	-172	-69.1	168.6	0	0	0	112	R15 E23 Y27	R15-L18 HydrophobicContact CB-CB 4.33Å; L18-E23 HydrophobicContact CD2-CB 3.96Å; L18-E23 WeakPolarHBondContact CD2-OE2 3.27Å; L18-Y27 HydrophobicContact CD1-CE2 4.16Å
19	E	47.3	Very low	54	Low	207 Å²	207	79.2 Å²	79.2	97%	0.967	41%	0.408	S	S	*	.			trans	-78.8	-15.2	176.8	-67	-168.8	161.3	0	0	113.1
20	N	46.3	Very low	55.8	Low	104 Å²	104	79.2 Å²	79.2	56%	0.556	41%	0.406	S	S	*	.			trans	-114.9	141.8	-173.1	-114.5	-30.8	0	0	0	113.8
21	S	49.6	Very low	57.8	Low	82 Å²	82	81.4 Å²	81.4	57%	0.573	42%	0.418	S	S	*	.	S	Bend	trans	-75.9	-21.6	-178.1	47.5	0	0	0	0	114.6	K24	S21-K24 VanDerWaalsContact O-CB 3.25Å; S21-K24 WeakPolarHBondContact O-CB 3.26Å; S21-K24 PolarHBondContact O-N 3.14Å
22	K	44.2	Very low	59.4	Low	157 Å²	157	86 Å²	86	68%	0.683	44%	0.443	S	S	*	.	S	Bend	trans	-73.1	-41.5	-178.6	-77.7	-175	172.3	-172.9	0	114	K24 E25	K22-K24 PolarHBondContact O-N 3.15Å; K22-E25 PolarHBondContact O-N 3.07Å
23	E	51.3	Low	61.3	Low	92 Å²	92	86.3 Å²	86.3	43%	0.43	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-9.4	172.4	-68.6	167.8	176.2	0	0	111.5	R15 L18	R15-E23 PolarHBondContact NH1-O 2.93Å; L18-E23 HydrophobicContact CD2-CB 3.96Å; L18-E23 WeakPolarHBondContact CD2-OE2 3.27Å
24	K	54.2	Low	63.3	Low	59 Å²	59	87.9 Å²	87.9	26%	0.257	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-30	170.6	-50.7	-165	-178.3	-168.9	0	114.8	L12 R15 S21 K22 E26	L12-K24 HydrophobicContact CD2-CB 4.25Å; L12-K24 PolarHBondContact O-NZ 3.21Å; R15-K24 VanDerWaalsContact CZ-CA 3.46Å; R15-K24 VanDerWaalsContact CZ-CB 3.42Å; R15-K24 VanDerWaalsContact CZ-CG 3.43Å; R15-K24 VanDerWaalsContact NH2-CA 3.27Å; R15-K24 VanDerWaalsContact NH2-CB 3.3Å; R15-K24 PolarHBondContact NH2-O 3.4Å; S21-K24 VanDerWaalsContact O-CB 3.25Å; S21-K24 WeakPolarHBondContact O-CB 3.26Å; S21-K24 PolarHBondContact O-N 3.14Å; K22-K24 PolarHBondContact O-N 3.15Å; K24-E26 VanDerWaalsContact C-N 3.27Å
25	E	55.2	Low	65.5	Low	160 Å²	160	87.6 Å²	87.6	75%	0.748	46%	0.463	S	S	*	.	S	Bend	trans	-80.5	-9.3	178.9	-62.5	176.6	168.9	0	0	112.2	K22	K22-E25 PolarHBondContact O-N 3.07Å
26	E	66	Low	67.3	Low	130 Å²	130	89.1 Å²	89.1	61%	0.607	47%	0.47	S	S	*	.	S	Bend	trans	-87.5	-21.3	-177.9	-67.1	-177.5	171.8	0	0	114.2	K24 N29	K24-E26 VanDerWaalsContact C-N 3.27Å; E26-N29 WeakPolarHBondContact O-CB 3.49Å
27	Y	75	Confident	69.4	Low	58 Å²	58	91.2 Å²	91.2	23%	0.227	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	141.8	177	-84.5	-99.8	0	0	0	111.7	L18 N29 D89 L253 Y254 K256	L18-Y27 HydrophobicContact CD1-CE2 4.16Å; Y27-N29 PolarHBondContact O-N 3.44Å; Y27-D89 WeakPolarHBondContact CA-OD1 3.31Å; Y27-D89 HydrophobicContact CD1-CB 4.29Å; Y27-D89 HydrophobicContact CE1-CB 4.49Å; Y27-L253 HydrophobicContact CD1-CD1 3.96Å; Y27-L253 HydrophobicContact CD1-CG 4.26Å; Y27-L253 WeakPolarHBondContact CE1-O 3.36Å; Y27-Y254 HydrophobicContact CD1-CD1 4.21Å; Y27-Y254 HydrophobicContact CE1-CD1 4.46Å; Y27-Y254 HydrophobicContact CG-CD1 4.23Å; Y27-Y254 HydrophobicContact CG-CE1 4.25Å; Y27-K256 HydrophobicContact CE1-CB 4.24Å; Y27-K256 PolarHBondContact OH-O 3.47Å
28	R	85.7	Confident	71.8	Confident	44 Å²	44	88 Å²	88	17%	0.166	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	40.3	-175.6	-57.2	-173.8	60.2	86.6	4.5	112.4	F30 D89 D141 Y222 L253	R28-F30 HydrophobicContact CB-CE2 3.88Å; R28-F30 HydrophobicContact CB-CZ 4.41Å; R28-F30 WeakPolarHBondContact O-CD2 3.27Å; R28-F30 WeakPolarHBondContact O-CE2 3.45Å; R28-F30 PolarHBondContact O-N 3.46Å; R28-D89 PolarHBondContact N-OD1 3.49Å; R28-D89 PolarHBondContact N-OD2 3.18Å; R28-D141 IonicContact CZ-OD1 2.69Å; R28-D141 IonicContact CZ-OD2 3.68Å; R28-D141 IonicContact NH1-OD1 3.43Å; R28-D141 PolarHBondContact NH1-OD1 2.95Å; R28-D141 IonicContact NH2-OD1 2.79Å; R28-D141 PolarHBondContact NH2-OD1 2.97Å; R28-D141 IonicContact NH2-OD2 3.81Å; R28-D141 PolarHBondContact NH2-OD2 3.22Å; R28-Y222 VanDerWaalsContact CZ-CZ 3.4Å; R28-Y222 VanDerWaalsContact NE-CE1 3.27Å; R28-Y222 VanDerWaalsContact NH1-CE2 3.34Å; R28-Y222 PolarHBondContact NH1-OH 3.15Å; R28-L253 HydrophobicContact CG-CD1 3.51Å; R28-L253 HydrophobicContact CG-CD2 4.02Å; R28-L253 HydrophobicContact CG-CG 4.42Å
29	N	85	Confident	74.1	Confident	47 Å²	47	86.1 Å²	86.1	25%	0.251	46%	0.455	S	S	.	.			trans	-75.4	108.3	175.8	-176.8	-2	0	0	0	110.3	E26 Y27 V31 D32	E26-N29 WeakPolarHBondContact O-CB 3.49Å; Y27-N29 PolarHBondContact O-N 3.44Å; N29-V31 WeakPolarHBondContact OD1-CB 3.31Å; N29-V31 PolarHBondContact OD1-N 3.35Å; N29-D32 PolarHBondContact ND2-OD1 2.99Å; N29-D32 PolarHBondContact OD1-N 3.2Å
30	F	87.1	Confident	76.4	Confident	38 Å²	38	79.3 Å²	79.3	17%	0.167	42%	0.423	C	S	.	.			trans	-103.6	21.6	176.2	-60.7	-70.7	0	0	0	112.7	R28 F36 V39 Y43 P88 V154 F155	R28-F30 HydrophobicContact CB-CE2 3.88Å; R28-F30 HydrophobicContact CB-CZ 4.41Å; R28-F30 WeakPolarHBondContact O-CD2 3.27Å; R28-F30 WeakPolarHBondContact O-CE2 3.45Å; R28-F30 PolarHBondContact O-N 3.46Å; F30-F36 WeakPolarHBondContact O-CE2 3.46Å; F30-V39 HydrophobicContact CD1-CG1 3.93Å; F30-V39 HydrophobicContact CE1-CG1 3.8Å; F30-Y43 AromaticContact CE1-CE2 3.99Å; F30-Y43 HydrophobicContact CE1-CE2 3.99Å; F30-P88 HydrophobicContact CE1-CG 3.97Å; F30-P88 HydrophobicContact CZ-CG 4.21Å; F30-V154 HydrophobicContact CB-CG1 4.45Å; F30-V154 HydrophobicContact CD1-CG1 3.74Å; F30-V154 HydrophobicContact CD2-CG1 4.15Å; F30-V154 HydrophobicContact CD2-CG2 4.06Å; F30-V154 HydrophobicContact CE1-CG1 3.93Å; F30-V154 HydrophobicContact CE2-CG1 4.31Å; F30-V154 HydrophobicContact CE2-CG2 3.7Å; F30-V154 HydrophobicContact CG-CG1 3.86Å; F30-V154 HydrophobicContact CZ-CG1 4.21Å; F30-V154 HydrophobicContact CZ-CG2 3.95Å; F30-F155 HydrophobicContact CB-CE1 3.87Å; F30-F155 HydrophobicContact CB-CZ 3.78Å; F30-F155 HydrophobicContact CD1-CE2 4.21Å; F30-F155 AromaticContact CD1-CZ 3.93Å; F30-F155 HydrophobicContact CD1-CZ 3.93Å; F30-F155 HydrophobicContact CG-CZ 4.26Å; F30-F155 VanDerWaalsContact O-CE1 3.28Å; F30-F155 WeakPolarHBondContact O-CE1 3.29Å
31	V	84.4	Confident	78.9	Confident	119 Å²	119	81.3 Å²	81.3	72%	0.721	43%	0.426	S	S	*	.	S	Bend	trans	-106.6	-44.2	179.7	-175.6	0	0	0	0	111	N29	N29-V31 WeakPolarHBondContact OD1-CB 3.31Å; N29-V31 PolarHBondContact OD1-N 3.35Å
32	D	81.8	Confident	81.2	Confident	100 Å²	100	77.9 Å²	77.9	54%	0.535	40%	0.402	S	S	.	.	S	Bend	trans	-148.7	-174.6	178.7	57	31.1	0	0	0	110.6	N29	N29-D32 PolarHBondContact ND2-OD1 2.99Å; N29-D32 PolarHBondContact OD1-N 3.2Å
33	G	85.8	Confident	83.8	Confident	53 Å²	53	70.5 Å²	70.5	55%	0.546	37%	0.37	S	S	.	.	S	Bend	trans	122.2	159.7	-178.9	0	0	0	0	0	113.5	L35 F36	G33-L35 PolarHBondContact O-N 2.98Å; G33-F36 WeakPolarHBondContact O-CB 3.45Å; G33-F36 PolarHBondContact O-N 3.28Å
34	S	88.2	Confident	86.1	Confident	121 Å²	121	67.4 Å²	67.4	85%	0.846	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-30.5	-179.1	50.9	0	0	0	0	112.6
35	L	90.7	Very high	88.2	Confident	26 Å²	26	66.9 Å²	66.9	14%	0.136	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-8.2	-177.3	-56.7	179.4	0	0	0	113.2	G33 S37 R38 V39 P88 D91	G33-L35 PolarHBondContact O-N 2.98Å; L35-S37 VanDerWaalsContact C-N 3.29Å; L35-S37 PolarHBondContact O-N 3.45Å; L35-S37 VanDerWaalsContact O-N 3.14Å; L35-R38 HydrophobicContact CB-CG 4.49Å; L35-R38 VanDerWaalsContact CD2-CZ 3.49Å; L35-R38 WeakPolarHBondContact O-CG 3.05Å; L35-R38 PolarHBondContact O-N 3.44Å; L35-R38 VanDerWaalsContact O-N 3.16Å; L35-V39 HydrophobicContact CB-CG2 4.49Å; L35-V39 WeakPolarHBondContact O-CG2 3.2Å; L35-V39 PolarHBondContact O-N 3.44Å; L35-P88 WeakPolarHBondContact CD1-O 3.46Å; L35-D91 HydrophobicContact CD1-CB 4.45Å
36	F	92.4	Very high	90.2	Very high	59 Å²	59	59.4 Å²	59.4	26%	0.259	33%	0.325	S	S	.	.	H	α-helix	trans	-51.4	-45.3	-174.6	175.6	-92.6	0	0	0	113.2	F30 G33 R38 V39 F40 F155	F30-F36 WeakPolarHBondContact O-CE2 3.46Å; G33-F36 WeakPolarHBondContact O-CB 3.45Å; G33-F36 PolarHBondContact O-N 3.28Å; F36-R38 PolarHBondContact O-N 3.35Å; F36-V39 PolarHBondContact O-N 3.18Å; F36-F40 HydrophobicContact CD1-CB 4.49Å; F36-F40 HydrophobicContact CE1-CB 4.06Å; F36-F40 HydrophobicContact CE1-CG 4.32Å; F36-F40 HydrophobicContact CZ-CB 4.08Å; F36-F40 HydrophobicContact CZ-CD2 4.03Å; F36-F40 HydrophobicContact CZ-CG 4.19Å; F36-F40 VanDerWaalsContact O-CB 3.28Å; F36-F40 WeakPolarHBondContact O-CB 3.39Å; F36-F40 PolarHBondContact O-N 3.29Å; F36-F155 HydrophobicContact CD2-CZ 4.45Å; F36-F155 AromaticContact CE2-CE1 3.82Å; F36-F155 HydrophobicContact CE2-CE1 3.82Å; F36-F155 AromaticContact CE2-CZ 3.81Å; F36-F155 HydrophobicContact CE2-CZ 3.81Å; F36-F155 HydrophobicContact CZ-CE1 4.33Å; F36-F155 HydrophobicContact CZ-CZ 4.46Å
37	S	94.4	Very high	91.8	Very high	95 Å²	95	53.3 Å²	53.3	66%	0.664	30%	0.296	S	S	*	.	H	α-helix	trans	-63	-38.8	-175.1	-62.8	0	0	0	0	113.1	L35 K41	L35-S37 VanDerWaalsContact C-N 3.29Å; L35-S37 PolarHBondContact O-N 3.45Å; L35-S37 VanDerWaalsContact O-N 3.14Å; S37-K41 WeakPolarHBondContact O-CB 3.33Å; S37-K41 PolarHBondContact O-N 3.08Å
38	R	95.4	Very high	92.9	Very high	56 Å²	56	52.3 Å²	52.3	21%	0.211	30%	0.297	C	S	.	.	H	α-helix	trans	-72.1	-43.8	177.4	66.8	167.1	-165.6	-158	4.6	110.6	L35 F36 K41 T42 D84 D87 V90 D91	L35-R38 HydrophobicContact CB-CG 4.49Å; L35-R38 VanDerWaalsContact CD2-CZ 3.49Å; L35-R38 WeakPolarHBondContact O-CG 3.05Å; L35-R38 PolarHBondContact O-N 3.44Å; L35-R38 VanDerWaalsContact O-N 3.16Å; F36-R38 PolarHBondContact O-N 3.35Å; R38-K41 WeakPolarHBondContact O-CB 3.23Å; R38-K41 PolarHBondContact O-N 2.8Å; R38-T42 PolarHBondContact O-N 3.13Å; R38-T42 PolarHBondContact O-OG1 2.96Å; R38-D84 PolarHBondContact NH2-O 2.71Å; R38-D87 PolarHBondContact NH2-O 3.3Å; R38-V90 PolarHBondContact NH2-O 2.76Å; R38-D91 IonicContact CZ-OD1 3.25Å; R38-D91 IonicContact NH1-OD1 3.72Å; R38-D91 PolarHBondContact NH1-OD1 3.03Å; R38-D91 IonicContact NH2-OD1 3.71Å
39	V	95.9	Very high	93.6	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-62.3	-49.4	-179.2	173.9	0	0	0	0	110.7	F30 L35 F36 K41 T42 Y43 E85 S86 P88 F155	F30-V39 HydrophobicContact CD1-CG1 3.93Å; F30-V39 HydrophobicContact CE1-CG1 3.8Å; L35-V39 HydrophobicContact CB-CG2 4.49Å; L35-V39 WeakPolarHBondContact O-CG2 3.2Å; L35-V39 PolarHBondContact O-N 3.44Å; F36-V39 PolarHBondContact O-N 3.18Å; V39-K41 VanDerWaalsContact C-N 3.29Å; V39-K41 PolarHBondContact O-N 2.93Å; V39-T42 PolarHBondContact O-N 3.34Å; V39-Y43 HydrophobicContact CG1-CD2 3.7Å; V39-Y43 HydrophobicContact CG1-CE2 3.73Å; V39-Y43 WeakPolarHBondContact O-CD2 3.27Å; V39-Y43 PolarHBondContact O-N 3.19Å; V39-E85 WeakPolarHBondContact CA-O 3.25Å; V39-E85 PolarHBondContact N-O 2.83Å; V39-S86 WeakPolarHBondContact CG1-O 3.46Å; V39-P88 HydrophobicContact CG2-CB 4.31Å; V39-F155 HydrophobicContact CG1-CE2 4.35Å
40	F	96.8	Very high	94.2	Very high	65 Å²	65	51.2 Å²	51.2	29%	0.285	29%	0.294	S	S	.	.	H	α-helix	trans	-58.7	-41	176.7	-177.4	-95.7	0	0	0	111.9	F36 S44 F155 T159	F36-F40 HydrophobicContact CD1-CB 4.49Å; F36-F40 HydrophobicContact CE1-CB 4.06Å; F36-F40 HydrophobicContact CE1-CG 4.32Å; F36-F40 HydrophobicContact CZ-CB 4.08Å; F36-F40 HydrophobicContact CZ-CD2 4.03Å; F36-F40 HydrophobicContact CZ-CG 4.19Å; F36-F40 VanDerWaalsContact O-CB 3.28Å; F36-F40 WeakPolarHBondContact O-CB 3.39Å; F36-F40 PolarHBondContact O-N 3.29Å; F40-S44 VanDerWaalsContact CE1-OG 3.3Å; F40-S44 WeakPolarHBondContact CE1-OG 3.37Å; F40-S44 WeakPolarHBondContact O-CB 3.49Å; F40-S44 PolarHBondContact O-N 3.4Å; F40-S44 PolarHBondContact O-OG 2.69Å; F40-F155 HydrophobicContact CB-CE2 4.19Å; F40-F155 HydrophobicContact CB-CZ 4.32Å; F40-F155 AromaticContact CD2-CD1 3.86Å; F40-F155 HydrophobicContact CD2-CD1 3.86Å; F40-F155 AromaticContact CD2-CD2 3.81Å; F40-F155 HydrophobicContact CD2-CD2 3.81Å; F40-F155 AromaticContact CD2-CE1 3.89Å; F40-F155 HydrophobicContact CD2-CE1 3.89Å; F40-F155 AromaticContact CD2-CE2 3.87Å; F40-F155 HydrophobicContact CD2-CE2 3.87Å; F40-F155 AromaticContact CD2-CG 3.83Å; F40-F155 HydrophobicContact CD2-CG 3.83Å; F40-F155 AromaticContact CD2-CZ 3.9Å; F40-F155 HydrophobicContact CD2-CZ 3.9Å; F40-F155 HydrophobicContact CE2-CB 4.35Å; F40-F155 HydrophobicContact CE2-CD1 4.11Å; F40-F155 HydrophobicContact CE2-CD2 4.38Å; F40-F155 HydrophobicContact CE2-CG 4.04Å; F40-T159 HydrophobicContact CE2-CG2 3.92Å; F40-T159 HydrophobicContact CZ-CG2 4.03Å
41	K	98	Very high	94.8	Very high	145 Å²	145	50.3 Å²	50.3	63%	0.63	29%	0.291	S	S	*	.	H	α-helix	trans	-64.1	-46.5	176.4	-178.3	-175.2	173.8	-165.8	0	111.2	S37 R38 V39 S44 V45	S37-K41 WeakPolarHBondContact O-CB 3.33Å; S37-K41 PolarHBondContact O-N 3.08Å; R38-K41 WeakPolarHBondContact O-CB 3.23Å; R38-K41 PolarHBondContact O-N 2.8Å; V39-K41 VanDerWaalsContact C-N 3.29Å; V39-K41 PolarHBondContact O-N 2.93Å; K41-S44 PolarHBondContact O-N 3.39Å; K41-V45 WeakPolarHBondContact O-CG2 3.15Å; K41-V45 PolarHBondContact O-N 3.2Å
42	T	98.3	Very high	95.5	Very high	10 Å²	10	44.8 Å²	44.8	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-58.3	-52	179.3	-57.2	0	0	0	0	110.8	R38 V39 S44 V45 M46 E85 W136 V139	R38-T42 PolarHBondContact O-N 3.13Å; R38-T42 PolarHBondContact O-OG1 2.96Å; V39-T42 PolarHBondContact O-N 3.34Å; T42-S44 PolarHBondContact O-N 2.87Å; T42-V45 PolarHBondContact O-N 3.41Å; T42-M46 WeakPolarHBondContact O-CB 3.32Å; T42-M46 PolarHBondContact O-N 3.25Å; T42-E85 WeakPolarHBondContact OG1-CB 3.3Å; T42-E85 PolarHBondContact OG1-O 3.2Å; T42-W136 HydrophobicContact CG2-CB 4.26Å; T42-V139 HydrophobicContact CG2-CG2 4.4Å
43	Y	98.5	Very high	96.3	Very high	3 Å²	3	45.1 Å²	45.1	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-38.4	176.9	-80.3	-67	0	0	0	113.1	F30 V39 V45 M46 H47 D141 V154 F155	F30-Y43 AromaticContact CE1-CE2 3.99Å; F30-Y43 HydrophobicContact CE1-CE2 3.99Å; V39-Y43 HydrophobicContact CG1-CD2 3.7Å; V39-Y43 HydrophobicContact CG1-CE2 3.73Å; V39-Y43 WeakPolarHBondContact O-CD2 3.27Å; V39-Y43 PolarHBondContact O-N 3.19Å; Y43-V45 VanDerWaalsContact C-N 3.32Å; Y43-V45 PolarHBondContact O-N 3.11Å; Y43-M46 HydrophobicContact CD1-SD 4.08Å; Y43-M46 HydrophobicContact CE1-SD 4.23Å; Y43-M46 WeakPolarHBondContact O-CB 3.5Å; Y43-M46 PolarHBondContact O-N 2.96Å; Y43-H47 AromaticContact CD1-CE1 3.65Å; Y43-H47 AromaticContact CD1-NE2 3.54Å; Y43-H47 WeakPolarHBondContact O-CB 3.37Å; Y43-H47 PolarHBondContact O-N 3.27Å; Y43-H47 PolarHBondContact O-ND1 2.57Å; Y43-D141 HydrophobicContact CE1-CB 3.97Å; Y43-D141 PolarHBondContact OH-N 3.16Å; Y43-D141 PolarHBondContact OH-OD1 3.33Å; Y43-V154 HydrophobicContact CD2-CG1 4.11Å; Y43-V154 HydrophobicContact CE2-CG1 4.16Å; Y43-V154 HydrophobicContact CG-CG1 4.38Å; Y43-F155 HydrophobicContact CD2-CD2 4.18Å; Y43-F155 AromaticContact CD2-CE2 3.96Å; Y43-F155 HydrophobicContact CD2-CE2 3.96Å; Y43-F155 HydrophobicContact CG-CD2 4.18Å; Y43-F155 HydrophobicContact CG-CE2 4.42Å
44	S	98.5	Very high	96.9	Very high	26 Å²	26	44 Å²	44	18%	0.182	24%	0.24	C	C	.	.	H	α-helix	trans	-58.8	-44.4	176.1	-64	0	0	0	0	112	F40 K41 T42 T48 T159	F40-S44 VanDerWaalsContact CE1-OG 3.3Å; F40-S44 WeakPolarHBondContact CE1-OG 3.37Å; F40-S44 WeakPolarHBondContact O-CB 3.49Å; F40-S44 PolarHBondContact O-N 3.4Å; F40-S44 PolarHBondContact O-OG 2.69Å; K41-S44 PolarHBondContact O-N 3.39Å; T42-S44 PolarHBondContact O-N 2.87Å; S44-T48 WeakPolarHBondContact O-CB 3.44Å; S44-T48 PolarHBondContact O-N 2.92Å; S44-T48 PolarHBondContact O-OG1 3.26Å; S44-T159 WeakPolarHBondContact OG-CG2 3.34Å
45	V	98.7	Very high	97.4	Very high	49 Å²	49	38.2 Å²	38.2	30%	0.297	20%	0.2	S	C	.	.	H	α-helix	trans	-71.9	-40.4	177.9	-178.4	0	0	0	0	110.7	K41 T42 Y43 T48 N49 W136	K41-V45 WeakPolarHBondContact O-CG2 3.15Å; K41-V45 PolarHBondContact O-N 3.2Å; T42-V45 PolarHBondContact O-N 3.41Å; Y43-V45 VanDerWaalsContact C-N 3.32Å; Y43-V45 PolarHBondContact O-N 3.11Å; V45-T48 PolarHBondContact O-N 2.87Å; V45-N49 WeakPolarHBondContact CG1-ND2 3.27Å; V45-N49 WeakPolarHBondContact O-CB 3.37Å; V45-N49 PolarHBondContact O-N 2.91Å; V45-N49 VanDerWaalsContact O-N 3.1Å; V45-N49 PolarHBondContact O-ND2 2.72Å; V45-W136 HydrophobicContact CB-CB 4.36Å; V45-W136 HydrophobicContact CB-CG 4.18Å; V45-W136 HydrophobicContact CG1-CB 4.37Å; V45-W136 HydrophobicContact CG1-CD2 3.99Å; V45-W136 HydrophobicContact CG1-CG 3.67Å
46	M	98.8	Very high	97.8	Very high	3 Å²	3	42 Å²	42	2%	0.015	22%	0.216	C	C	.	.	H	α-helix	trans	-55.6	-55.9	174.9	-176.5	179.2	-176.1	0	0	111.1	T42 Y43 T48 N49 Q50 W136 D141 F143	T42-M46 WeakPolarHBondContact O-CB 3.32Å; T42-M46 PolarHBondContact O-N 3.25Å; Y43-M46 HydrophobicContact CD1-SD 4.08Å; Y43-M46 HydrophobicContact CE1-SD 4.23Å; Y43-M46 WeakPolarHBondContact O-CB 3.5Å; Y43-M46 PolarHBondContact O-N 2.96Å; M46-T48 PolarHBondContact O-N 3.41Å; M46-N49 PolarHBondContact O-N 3.38Å; M46-N49 VanDerWaalsContact O-N 3.11Å; M46-Q50 HydrophobicContact CE-CG 4.49Å; M46-Q50 HydrophobicContact CG-CG 3.63Å; M46-Q50 VanDerWaalsContact O-CB 3.31Å; M46-Q50 WeakPolarHBondContact O-CB 3.35Å; M46-Q50 WeakPolarHBondContact O-CG 3.36Å; M46-Q50 PolarHBondContact O-N 3.38Å; M46-W136 HydrophobicContact CB-CB 3.94Å; M46-W136 WeakPolarHBondContact CG-O 3.39Å; M46-D141 WeakPolarHBondContact CE-O 3.41Å; M46-F143 HydrophobicContact CE-CD1 4.32Å; M46-F143 HydrophobicContact CE-CE1 3.84Å; M46-F143 HydrophobicContact CG-CE1 4.27Å; M46-F143 HydrophobicContact SD-CE1 4.38Å
47	H	98.8	Very high	98.1	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-65	-27	-177.2	-62	158	0	0	0	112.6	Y43 F143 V154 T159 F160 N163	Y43-H47 AromaticContact CD1-CE1 3.65Å; Y43-H47 AromaticContact CD1-NE2 3.54Å; Y43-H47 WeakPolarHBondContact O-CB 3.37Å; Y43-H47 PolarHBondContact O-N 3.27Å; Y43-H47 PolarHBondContact O-ND1 2.57Å; H47-F143 AromaticContact CD2-CE1 3.42Å; H47-F143 VanDerWaalsContact CD2-CE1 3.42Å; H47-F143 WeakPolarHBondContact CD2-CE1 3.45Å; H47-F143 AromaticContact CD2-CZ 3.83Å; H47-F143 AromaticContact NE2-CE1 3.87Å; H47-V154 PolarHBondContact CE1-O 3.23Å; H47-T159 WeakPolarHBondContact CB-O 3.5Å; H47-T159 PolarHBondContact ND1-OG1 3.13Å; H47-F160 HydrophobicContact CB-CD1 4Å; H47-F160 HydrophobicContact CB-CD2 3.87Å; H47-F160 HydrophobicContact CB-CE1 3.83Å; H47-F160 HydrophobicContact CB-CE2 3.7Å; H47-F160 HydrophobicContact CB-CG 4.05Å; H47-F160 HydrophobicContact CB-CZ 3.69Å; H47-F160 AromaticContact CD2-CE2 3.72Å; H47-F160 AromaticContact CD2-CZ 3.45Å; H47-F160 VanDerWaalsContact CD2-CZ 3.45Å; H47-F160 WeakPolarHBondContact CD2-CZ 3.49Å; H47-F160 AromaticContact CE1-CE2 3.97Å; H47-F160 AromaticContact CG-CD2 3.93Å; H47-F160 AromaticContact CG-CE2 3.32Å; H47-F160 AromaticContact CG-CZ 3.43Å; H47-F160 VanDerWaalsContact CG-CZ 3.43Å; H47-F160 AromaticContact ND1-CE2 3.48Å; H47-F160 WeakPolarHBondContact ND1-CE2 3.34Å; H47-N163 VanDerWaalsContact O-CB 3.26Å; H47-N163 WeakPolarHBondContact O-CB 3.3Å; H47-N163 PolarHBondContact O-ND2 3.22Å
48	T	98.7	Very high	98.3	Very high	38 Å²	38	41.8 Å²	41.8	23%	0.233	21%	0.205	C	C	.	.	H	α-helix	trans	-73	-38	174.1	-60.7	0	0	0	0	112.5	S44 V45 M46 D162	S44-T48 WeakPolarHBondContact O-CB 3.44Å; S44-T48 PolarHBondContact O-N 2.92Å; S44-T48 PolarHBondContact O-OG1 3.26Å; V45-T48 PolarHBondContact O-N 2.87Å; M46-T48 PolarHBondContact O-N 3.41Å; T48-D162 HydrophobicContact CG2-CB 4.04Å
49	N	98.8	Very high	98.4	Very high	68 Å²	68	40.6 Å²	40.6	36%	0.364	20%	0.202	S	C	.	.	H	α-helix	trans	-110.6	-17.3	-164.5	-65.3	-77.8	0	0	0	115.1	V45 M46 T51 F54 W136	V45-N49 WeakPolarHBondContact CG1-ND2 3.27Å; V45-N49 WeakPolarHBondContact O-CB 3.37Å; V45-N49 PolarHBondContact O-N 2.91Å; V45-N49 VanDerWaalsContact O-N 3.1Å; V45-N49 PolarHBondContact O-ND2 2.72Å; M46-N49 PolarHBondContact O-N 3.38Å; M46-N49 VanDerWaalsContact O-N 3.11Å; N49-T51 PolarHBondContact O-N 3.26Å; N49-F54 WeakPolarHBondContact O-CB 3.5Å; N49-W136 HydrophobicContact CB-CE3 4.16Å; N49-W136 HydrophobicContact CB-CH2 3.33Å; N49-W136 HydrophobicContact CB-CZ2 3.87Å; N49-W136 HydrophobicContact CB-CZ3 3.51Å
50	Q	98.8	Very high	98.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.			trans	-72.8	93.2	172.7	-68.2	-78.9	2	0	0	109.5	M46 W136 F143 V145 N163 W191	M46-Q50 HydrophobicContact CE-CG 4.49Å; M46-Q50 HydrophobicContact CG-CG 3.63Å; M46-Q50 VanDerWaalsContact O-CB 3.31Å; M46-Q50 WeakPolarHBondContact O-CB 3.35Å; M46-Q50 WeakPolarHBondContact O-CG 3.36Å; M46-Q50 PolarHBondContact O-N 3.38Å; Q50-W136 HydrophobicContact CG-CE3 4.28Å; Q50-W136 HydrophobicContact CG-CZ3 4.18Å; Q50-W136 PolarHBondContact NE2-O 2.96Å; Q50-F143 HydrophobicContact CB-CE2 4.3Å; Q50-F143 HydrophobicContact CB-CZ 3.72Å; Q50-F143 HydrophobicContact CG-CZ 4.29Å; Q50-V145 HydrophobicContact CB-CG1 4.45Å; Q50-N163 PolarHBondContact O-ND2 3.24Å; Q50-N163 VanDerWaalsContact O-ND2 3.12Å; Q50-W191 PolarHBondContact NE2-O 3.42Å
51	T	98.9	Very high	98.6	Very high	18 Å²	18	43.4 Å²	43.4	11%	0.11	23%	0.228	C	C	.	.			trans	-113.2	165.7	176.7	64.5	0	0	0	0	110.4	N49 D53 F54 V55 P164 D165	N49-T51 PolarHBondContact O-N 3.26Å; T51-D53 VanDerWaalsContact C-N 3.26Å; T51-D53 PolarHBondContact O-N 3.27Å; T51-F54 PolarHBondContact O-N 3.14Å; T51-F54 WeakPolarHBondContact OG1-CB 3.3Å; T51-F54 PolarHBondContact OG1-N 2.92Å; T51-F54 VanDerWaalsContact OG1-N 3.08Å; T51-V55 WeakPolarHBondContact O-CG2 3.28Å; T51-V55 PolarHBondContact O-N 2.92Å; T51-P164 HydrophobicContact CG2-CG 3.63Å; T51-D165 VanDerWaalsContact CA-OD2 3.23Å; T51-D165 WeakPolarHBondContact CA-OD2 3.4Å; T51-D165 VanDerWaalsContact CB-OD2 3.27Å; T51-D165 WeakPolarHBondContact CB-OD2 3.37Å
52	V	98.8	Very high	98.6	Very high	3 Å²	3	37 Å²	37	2%	0.018	20%	0.2	C	C	.	.	H	α-helix	trans	-53.9	-46.3	172.6	175.8	0	0	0	0	110.9	V55 Q56 V145 D165 Y171 L188	V52-V55 PolarHBondContact O-N 3.32Å; V52-Q56 HydrophobicContact CG1-CG 4.46Å; V52-Q56 WeakPolarHBondContact O-CB 3.35Å; V52-Q56 VanDerWaalsContact O-CG 3.27Å; V52-Q56 WeakPolarHBondContact O-CG 3.46Å; V52-Q56 PolarHBondContact O-N 3.14Å; V52-V145 HydrophobicContact CG2-CB 4.23Å; V52-V145 HydrophobicContact CG2-CG2 4.21Å; V52-D165 PolarHBondContact N-OD2 3.24Å; V52-Y171 HydrophobicContact CB-CE2 4.28Å; V52-Y171 HydrophobicContact CG2-CD1 4.5Å; V52-Y171 HydrophobicContact CG2-CD2 4.25Å; V52-Y171 HydrophobicContact CG2-CE1 4.26Å; V52-Y171 HydrophobicContact CG2-CE2 3.93Å; V52-L188 HydrophobicContact CG1-CD1 4.41Å
53	D	98.8	Very high	98.4	Very high	107 Å²	107	38.5 Å²	38.5	57%	0.572	21%	0.209	S	C	*	.	H	α-helix	trans	-64.6	-43.8	-178.5	-70.1	-6.6	0	0	0	111.4	T51 Q56 Q57	T51-D53 VanDerWaalsContact C-N 3.26Å; T51-D53 PolarHBondContact O-N 3.27Å; D53-Q56 PolarHBondContact O-N 2.96Å; D53-Q57 WeakPolarHBondContact O-CB 3.22Å; D53-Q57 PolarHBondContact O-N 3.12Å
54	F	98.9	Very high	98.3	Very high	30 Å²	30	43.6 Å²	43.6	13%	0.132	23%	0.232	C	C	.	.	H	α-helix	trans	-61.3	-48.8	177.2	175.5	-97.8	0	0	0	111.6	N49 T51 Q56 Q57 K58 W136 A137 W191	N49-F54 WeakPolarHBondContact O-CB 3.5Å; T51-F54 PolarHBondContact O-N 3.14Å; T51-F54 WeakPolarHBondContact OG1-CB 3.3Å; T51-F54 PolarHBondContact OG1-N 2.92Å; T51-F54 VanDerWaalsContact OG1-N 3.08Å; F54-Q56 PolarHBondContact O-N 2.95Å; F54-Q57 WeakPolarHBondContact O-CB 3.1Å; F54-Q57 PolarHBondContact O-N 2.8Å; F54-K58 HydrophobicContact CD1-CG 4.26Å; F54-K58 HydrophobicContact CE1-CG 3.79Å; F54-K58 HydrophobicContact CE2-CD 4.34Å; F54-K58 HydrophobicContact CE2-CG 4.1Å; F54-K58 HydrophobicContact CZ-CD 4.1Å; F54-K58 HydrophobicContact CZ-CG 3.71Å; F54-K58 WeakPolarHBondContact O-CG 3.18Å; F54-K58 PolarHBondContact O-N 2.72Å; F54-W136 HydrophobicContact CD1-CZ3 4.27Å; F54-W136 HydrophobicContact CD2-CH2 4.15Å; F54-W136 AromaticContact CE1-CH2 3.9Å; F54-W136 HydrophobicContact CE1-CH2 3.9Å; F54-W136 AromaticContact CE1-CZ3 3.62Å; F54-W136 HydrophobicContact CE1-CZ3 3.62Å; F54-W136 AromaticContact CE2-CH2 3.48Å; F54-W136 HydrophobicContact CE2-CH2 3.48Å; F54-W136 VanDerWaalsContact CE2-CH2 3.48Å; F54-W136 HydrophobicContact CE2-CZ2 4.39Å; F54-W136 HydrophobicContact CE2-CZ3 4.1Å; F54-W136 AromaticContact CZ-CH2 3.33Å; F54-W136 HydrophobicContact CZ-CH2 3.33Å; F54-W136 HydrophobicContact CZ-CZ2 4.34Å; F54-W136 AromaticContact CZ-CZ3 3.52Å; F54-W136 HydrophobicContact CZ-CZ3 3.52Å; F54-A137 HydrophobicContact CE1-CB 4.18Å; F54-A137 HydrophobicContact CZ-CB 3.72Å; F54-W191 HydrophobicContact CE1-CB 4.28Å
55	V	98.9	Very high	98.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.9	-46.4	179.8	170.8	0	0	0	0	110.4	T51 V52 Q57 K58 H59 V145 L188 M189 W191	T51-V55 WeakPolarHBondContact O-CG2 3.28Å; T51-V55 PolarHBondContact O-N 2.92Å; V52-V55 PolarHBondContact O-N 3.32Å; V55-Q57 VanDerWaalsContact C-N 3.3Å; V55-Q57 PolarHBondContact O-N 3.3Å; V55-K58 PolarHBondContact O-N 3.2Å; V55-K58 VanDerWaalsContact O-N 3.14Å; V55-H59 PolarHBondContact O-CD2 3.12Å; V55-H59 VanDerWaalsContact O-CD2 3.26Å; V55-H59 PolarHBondContact O-N 3.33Å; V55-V145 HydrophobicContact CB-CG2 4.08Å; V55-V145 HydrophobicContact CG1-CG2 4.33Å; V55-V145 HydrophobicContact CG2-CG1 3.95Å; V55-V145 HydrophobicContact CG2-CG2 3.84Å; V55-L188 HydrophobicContact CG1-CB 4.3Å; V55-L188 HydrophobicContact CG1-CD2 4.42Å; V55-M189 VanDerWaalsContact CG1-O 3.28Å; V55-M189 WeakPolarHBondContact CG1-O 3.32Å; V55-W191 HydrophobicContact CG2-CB 4.21Å
56	Q	98.8	Very high	98.2	Very high	104 Å²	104	46.1 Å²	46.1	49%	0.486	24%	0.242	S	C	.	.	H	α-helix	trans	-59.6	-40.4	177	-73.4	177.3	-0.2	0	0	112.5	V52 D53 F54 H59 G60 L188	V52-Q56 HydrophobicContact CG1-CG 4.46Å; V52-Q56 WeakPolarHBondContact O-CB 3.35Å; V52-Q56 VanDerWaalsContact O-CG 3.27Å; V52-Q56 WeakPolarHBondContact O-CG 3.46Å; V52-Q56 PolarHBondContact O-N 3.14Å; D53-Q56 PolarHBondContact O-N 2.96Å; F54-Q56 PolarHBondContact O-N 2.95Å; Q56-H59 PolarHBondContact O-N 2.99Å; Q56-G60 PolarHBondContact O-N 2.7Å; Q56-G60 VanDerWaalsContact O-N 3.07Å; Q56-L188 HydrophobicContact CG-CD1 4.12Å
57	Q	98.7	Very high	98.1	Very high	129 Å²	129	50.4 Å²	50.4	60%	0.603	26%	0.262	S	S	*	.	H	α-helix	trans	-61.2	-46.2	174.6	-177.3	-177.3	0.6	0	0	111.4	D53 F54 V55 G60 Q61	D53-Q57 WeakPolarHBondContact O-CB 3.22Å; D53-Q57 PolarHBondContact O-N 3.12Å; F54-Q57 WeakPolarHBondContact O-CB 3.1Å; F54-Q57 PolarHBondContact O-N 2.8Å; V55-Q57 VanDerWaalsContact C-N 3.3Å; V55-Q57 PolarHBondContact O-N 3.3Å; Q57-G60 PolarHBondContact O-N 2.68Å; Q57-G60 VanDerWaalsContact O-N 3.15Å; Q57-Q61 PolarHBondContact O-N 2.8Å
58	K	98.6	Very high	98	Very high	21 Å²	21	52.1 Å²	52.1	9%	0.091	27%	0.274	C	S	.	.	H	α-helix	trans	-65.8	-38	179.6	-67.6	-61	-179.8	-172.8	0	113	F54 V55 G60 Q61 W62 E133 W191	F54-K58 HydrophobicContact CD1-CG 4.26Å; F54-K58 HydrophobicContact CE1-CG 3.79Å; F54-K58 HydrophobicContact CE2-CD 4.34Å; F54-K58 HydrophobicContact CE2-CG 4.1Å; F54-K58 HydrophobicContact CZ-CD 4.1Å; F54-K58 HydrophobicContact CZ-CG 3.71Å; F54-K58 WeakPolarHBondContact O-CG 3.18Å; F54-K58 PolarHBondContact O-N 2.72Å; V55-K58 PolarHBondContact O-N 3.2Å; V55-K58 VanDerWaalsContact O-N 3.14Å; K58-G60 VanDerWaalsContact C-N 3.33Å; K58-G60 PolarHBondContact O-N 3Å; K58-Q61 PolarHBondContact O-N 2.89Å; K58-W62 PolarHBondContact O-N 3.31Å; K58-E133 WeakPolarHBondContact CE-OE2 3.1Å; K58-E133 IonicContact NZ-OE1 3.9Å; K58-E133 PolarHBondContact NZ-OE1 3.44Å; K58-E133 IonicContact NZ-OE2 3.93Å; K58-E133 PolarHBondContact NZ-OE2 3.4Å; K58-W191 HydrophobicContact CB-CB 4.03Å; K58-W191 HydrophobicContact CB-CD2 3.38Å; K58-W191 HydrophobicContact CB-CE3 3.94Å; K58-W191 HydrophobicContact CB-CG 3.38Å; K58-W191 HydrophobicContact CB-CZ2 4.43Å; K58-W191 HydrophobicContact CG-CB 4.25Å; K58-W191 HydrophobicContact CG-CD2 4.28Å; K58-W191 HydrophobicContact CG-CG 3.78Å
59	H	98.4	Very high	98	Very high	31 Å²	31	59 Å²	59	14%	0.144	30%	0.296	C	S	.	.	H	α-helix	trans	-56.5	-47.6	169.2	-88.1	-98.9	0	0	0	111.5	V55 Q56 Q61 T63 W191 E195	V55-H59 PolarHBondContact O-CD2 3.12Å; V55-H59 VanDerWaalsContact O-CD2 3.26Å; V55-H59 PolarHBondContact O-N 3.33Å; Q56-H59 PolarHBondContact O-N 2.99Å; H59-Q61 VanDerWaalsContact C-N 3.29Å; H59-Q61 PolarHBondContact O-N 3.24Å; H59-T63 HydrophobicContact CB-CG2 4.32Å; H59-T63 VanDerWaalsContact O-CB 3.32Å; H59-T63 WeakPolarHBondContact O-CB 3.35Å; H59-T63 WeakPolarHBondContact O-CG2 3.45Å; H59-T63 PolarHBondContact O-N 2.86Å; H59-T63 VanDerWaalsContact O-N 3.14Å; H59-T63 PolarHBondContact O-OG1 2.8Å; H59-W191 AromaticContact CD2-CE3 3.6Å; H59-W191 AromaticContact CD2-CZ3 3.72Å; H59-W191 AromaticContact CG-CZ3 3.89Å; H59-W191 AromaticContact NE2-CE3 3.88Å; H59-W191 AromaticContact NE2-CZ3 3.95Å; H59-E195 IonicContact CE1-OE1 3.18Å; H59-E195 PolarHBondContact CE1-OE1 3.21Å; H59-E195 VanDerWaalsContact CE1-OE1 3.25Å
60	G	97.8	Very high	98	Very high	43 Å²	43	56.6 Å²	56.6	44%	0.443	28%	0.283	S	S	.	.	H	α-helix	trans	-61.5	-36.7	176.9	0	0	0	0	0	113.4	Q56 Q57 K58 H64	Q56-G60 PolarHBondContact O-N 2.7Å; Q56-G60 VanDerWaalsContact O-N 3.07Å; Q57-G60 PolarHBondContact O-N 2.68Å; Q57-G60 VanDerWaalsContact O-N 3.15Å; K58-G60 VanDerWaalsContact C-N 3.33Å; K58-G60 PolarHBondContact O-N 3Å; G60-H64 PolarHBondContact O-CE1 3.14Å; G60-H64 PolarHBondContact O-ND1 3.13Å
61	Q	98	Very high	98	Very high	82 Å²	82	57.5 Å²	57.5	38%	0.383	29%	0.292	S	S	.	.	H	α-helix	trans	-70.3	-48.8	179.8	-175.4	-179.6	-18	0	0	112.3	Q57 K58 H59 E133	Q57-Q61 PolarHBondContact O-N 2.8Å; K58-Q61 PolarHBondContact O-N 2.89Å; H59-Q61 VanDerWaalsContact C-N 3.29Å; H59-Q61 PolarHBondContact O-N 3.24Å; Q61-E133 PolarHBondContact NE2-OE1 2.61Å; Q61-E133 VanDerWaalsContact NE2-OE1 3.12Å
62	W	98.2	Very high	98	Very high	11 Å²	11	56.7 Å²	56.7	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-105.7	-21.1	-161.8	-69	112.4	0	0	0	115.2	K58 H64 C65 H67 L128 W131 E133 W191 Y196	K58-W62 PolarHBondContact O-N 3.31Å; W62-H64 PolarHBondContact O-N 2.84Å; W62-H64 VanDerWaalsContact O-N 3.14Å; W62-C65 PolarHBondContact O-N 3.17Å; W62-H67 HydrophobicContact CE3-CB 4.45Å; W62-H67 AromaticContact CH2-ND1 3.8Å; W62-H67 HydrophobicContact CZ3-CB 3.78Å; W62-H67 AromaticContact CZ3-CG 3.63Å; W62-H67 AromaticContact CZ3-ND1 3.67Å; W62-L128 HydrophobicContact CD2-CD2 3.49Å; W62-L128 VanDerWaalsContact CD2-CD2 3.49Å; W62-L128 HydrophobicContact CE3-CD2 3.53Å; W62-L128 HydrophobicContact CG-CD2 4.15Å; W62-L128 HydrophobicContact CH2-CD2 3.8Å; W62-L128 HydrophobicContact CZ2-CD2 3.76Å; W62-L128 HydrophobicContact CZ3-CD2 3.68Å; W62-W131 HydrophobicContact CH2-CB 4.14Å; W62-W131 AromaticContact CH2-CE3 3.85Å; W62-W131 HydrophobicContact CH2-CE3 3.85Å; W62-W131 AromaticContact CZ3-CE3 3.54Å; W62-W131 HydrophobicContact CZ3-CE3 3.54Å; W62-W131 AromaticContact CZ3-CZ3 3.95Å; W62-W131 HydrophobicContact CZ3-CZ3 3.95Å; W62-E133 HydrophobicContact CZ2-CG 3.65Å; W62-E133 VanDerWaalsContact CZ2-OE1 3.3Å; W62-E133 WeakPolarHBondContact CZ2-OE1 3.29Å; W62-E133 PolarHBondContact NE1-OE1 2.92Å; W62-W191 HydrophobicContact CB-CH2 3.65Å; W62-W191 HydrophobicContact CB-CZ2 3.39Å; W62-W191 AromaticContact CD1-CE2 3.87Å; W62-W191 AromaticContact CD1-CZ2 3.55Å; W62-W191 AromaticContact CD1-NE1 3.9Å; W62-W191 HydrophobicContact CG-CH2 4.4Å; W62-W191 AromaticContact CG-CZ2 3.68Å; W62-W191 HydrophobicContact CG-CZ2 3.68Å; W62-Y196 HydrophobicContact CB-CD2 4.03Å; W62-Y196 HydrophobicContact CB-CE2 4.35Å; W62-Y196 HydrophobicContact CE3-CE2 4.3Å
63	T	94.9	Very high	98	Very high	41 Å²	41	57.3 Å²	57.3	25%	0.252	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-8.7	-173.3	59.9	0	0	0	0	114.8	H59 C65 W191 R199	H59-T63 HydrophobicContact CB-CG2 4.32Å; H59-T63 VanDerWaalsContact O-CB 3.32Å; H59-T63 WeakPolarHBondContact O-CB 3.35Å; H59-T63 WeakPolarHBondContact O-CG2 3.45Å; H59-T63 PolarHBondContact O-N 2.86Å; H59-T63 VanDerWaalsContact O-N 3.14Å; H59-T63 PolarHBondContact O-OG1 2.8Å; T63-C65 VanDerWaalsContact C-N 3.29Å; T63-W191 HydrophobicContact CG2-CH2 4.43Å; T63-R199 HydrophobicContact CG2-CB 4.36Å; T63-R199 HydrophobicContact CG2-CG 3.94Å
64	H	96.3	Very high	97.9	Very high	110 Å²	110	58 Å²	58	51%	0.509	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-10.9	176.4	-62.7	96.3	0	0	0	113.6	G60 W62 N66	G60-H64 PolarHBondContact O-CE1 3.14Å; G60-H64 PolarHBondContact O-ND1 3.13Å; W62-H64 PolarHBondContact O-N 2.84Å; W62-H64 VanDerWaalsContact O-N 3.14Å; H64-N66 VanDerWaalsContact C-N 3.29Å; H64-N66 PolarHBondContact O-N 2.85Å
65	C	96.7	Very high	97.9	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.007	28%	0.283	C	S	.	.			trans	49.6	45.3	177.9	-52.8	0	0	0	0	113.6	W62 T63 F203 Q283 W284	W62-C65 PolarHBondContact O-N 3.17Å; T63-C65 VanDerWaalsContact C-N 3.29Å; C65-F203 HydrophobicContact CB-CB 4.37Å; C65-F203 HydrophobicContact CB-CD1 3.55Å; C65-F203 HydrophobicContact CB-CD2 4.32Å; C65-F203 HydrophobicContact CB-CE1 3.79Å; C65-F203 HydrophobicContact CB-CG 3.84Å; C65-F203 HydrophobicContact CB-CZ 4.28Å; C65-Q283 HydrophobicContact CB-CB 4.29Å; C65-Q283 WeakPolarHBondContact O-CB 3.28Å; C65-W284 CarbonylContact C-O 3.52Å; C65-W284 VanDerWaalsContact CA-C 3.47Å; C65-W284 VanDerWaalsContact CA-OXT 3.29Å; C65-W284 WeakPolarHBondContact CA-OXT 3.42Å
66	N	96.9	Very high	97.9	Very high	127 Å²	127	56.5 Å²	56.5	68%	0.679	28%	0.283	S	S	*	.			trans	-117.6	13	-173.6	66.1	-7.8	0	0	0	113.1	H64 W284	H64-N66 VanDerWaalsContact C-N 3.29Å; H64-N66 PolarHBondContact O-N 2.85Å; N66-W284 PolarHBondContact N-O 3.33Å
67	H	97.4	Very high	97.8	Very high	93 Å²	93	53.4 Å²	53.4	43%	0.431	27%	0.269	S	S	.	.	S	Bend	trans	-80.8	-43.9	-178.3	-173.5	86.2	0	0	0	111.2	W62 W131 W284	W62-H67 HydrophobicContact CE3-CB 4.45Å; W62-H67 AromaticContact CH2-ND1 3.8Å; W62-H67 HydrophobicContact CZ3-CB 3.78Å; W62-H67 AromaticContact CZ3-CG 3.63Å; W62-H67 AromaticContact CZ3-ND1 3.67Å; H67-W131 HydrophobicContact CB-CE3 4.47Å; H67-W131 HydrophobicContact CB-CZ3 4.24Å; H67-W131 AromaticContact CD2-CD2 3.22Å; H67-W131 AromaticContact CD2-CE2 3.49Å; H67-W131 VanDerWaalsContact CD2-CE2 3.49Å; H67-W131 AromaticContact CD2-CE3 3.31Å; H67-W131 AromaticContact CD2-CG 3.71Å; H67-W131 AromaticContact CD2-CH2 3.94Å; H67-W131 AromaticContact CD2-CZ2 3.88Å; H67-W131 AromaticContact CD2-CZ3 3.65Å; H67-W131 AromaticContact CG-CE3 3.88Å; H67-W131 AromaticContact NE2-CD1 3.59Å; H67-W131 AromaticContact NE2-CD2 3.32Å; H67-W131 VanDerWaalsContact NE2-CD2 3.32Å; H67-W131 AromaticContact NE2-CE2 3.77Å; H67-W131 AromaticContact NE2-CE3 3.77Å; H67-W131 AromaticContact NE2-CG 3.23Å; H67-W131 AromaticContact NE2-NE1 3.9Å; H67-W284 WeakPolarHBondContact CA-O 3.06Å; H67-W284 WeakPolarHBondContact CB-O 3.41Å; H67-W284 PolarHBondContact N-O 3.26Å
68	S	97.6	Very high	97.8	Very high	37 Å²	37	48.3 Å²	48.3	26%	0.259	25%	0.248	S	C	.	.			trans	-149.7	169.2	-177.1	-167	0	0	0	0	113.5	M70 W284	S68-M70 VanDerWaalsContact OG-CE 3.26Å; S68-M70 WeakPolarHBondContact OG-CE 3.3Å; S68-W284 PolarHBondContact N-O 2.97Å; S68-W284 PolarHBondContact O-N 3.07Å
69	R	98.3	Very high	97.7	Very high	184 Å²	184	47.3 Å²	47.3	69%	0.694	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.4	108.7	176.1	-65.6	-179	70.1	170.9	3.2	109.1	V281 L282 Q283	R69-V281 HydrophobicContact CB-CG1 3.79Å; R69-L282 VanDerWaalsContact CA-O 3.31Å; R69-L282 WeakPolarHBondContact CA-O 3.21Å; R69-Q283 HydrophobicContact CG-CG 4.41Å
70	M	98.3	Very high	97.6	Very high	17 Å²	17	49.6 Å²	49.6	8%	0.084	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	161.1	-178.6	64	-178.6	79.6	0	0	111.6	S68 E74 A75 I127 W131 L282 W284	S68-M70 VanDerWaalsContact OG-CE 3.26Å; S68-M70 WeakPolarHBondContact OG-CE 3.3Å; M70-E74 HydrophobicContact CB-CB 4.36Å; M70-E74 HydrophobicContact CB-CG 4.19Å; M70-E74 WeakPolarHBondContact CB-OE2 3.33Å; M70-A75 HydrophobicContact CG-CB 4.27Å; M70-A75 HydrophobicContact SD-CB 3.75Å; M70-I127 HydrophobicContact CE-CD1 3.79Å; M70-I127 HydrophobicContact SD-CD1 3.54Å; M70-I127 VanDerWaalsContact SD-CD1 3.54Å; M70-W131 HydrophobicContact CE-CZ2 3.68Å; M70-L282 PolarHBondContact N-O 3.27Å; M70-L282 PolarHBondContact O-N 3Å; M70-W284 VanDerWaalsContact CG-CD1 3.48Å; M70-W284 HydrophobicContact CG-CD2 4.32Å; M70-W284 HydrophobicContact CG-CG 4.21Å; M70-W284 HydrophobicContact CG-CZ2 4.29Å; M70-W284 PolarHBondContact O-NE1 3.13Å
71	G	98.5	Very high	97.4	Very high	18 Å²	18	54.9 Å²	54.9	19%	0.186	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	156	172.7	0	0	0	0	0	112	M73 E74 A75	G71-M73 PolarHBondContact O-N 3.17Å; G71-E74 PolarHBondContact N-OE2 3.18Å; G71-E74 WeakPolarHBondContact O-CB 3.38Å; G71-E74 PolarHBondContact O-N 3.45Å; G71-E74 VanDerWaalsContact O-N 3.17Å; G71-A75 PolarHBondContact O-N 3Å
72	M	98.7	Very high	97.3	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-57.6	-44.6	177.4	-179.5	67.2	76.9	0	0	112.6	E74 A75 I76 I121 V124 M201 I274 C278 L282 W284	M72-E74 VanDerWaalsContact C-N 3.3Å; M72-E74 PolarHBondContact O-N 2.98Å; M72-A75 WeakPolarHBondContact O-CB 3.34Å; M72-A75 PolarHBondContact O-N 3.33Å; M72-I76 HydrophobicContact CG-CD1 3.92Å; M72-I76 VanDerWaalsContact O-CG1 3.32Å; M72-I76 WeakPolarHBondContact O-CG1 3.49Å; M72-I76 PolarHBondContact O-N 3.44Å; M72-I121 HydrophobicContact CE-CB 4.31Å; M72-I121 HydrophobicContact CE-CD1 4.12Å; M72-I121 HydrophobicContact CE-CG2 4Å; M72-I121 HydrophobicContact CG-CG2 3.86Å; M72-I121 HydrophobicContact SD-CB 4.04Å; M72-I121 HydrophobicContact SD-CG2 3.61Å; M72-V124 HydrophobicContact SD-CG1 4.27Å; M72-V124 HydrophobicContact SD-CG2 4.26Å; M72-M201 HydrophobicContact CE-CE 3.43Å; M72-M201 VanDerWaalsContact CE-CE 3.43Å; M72-M201 HydrophobicContact CE-SD 3.74Å; M72-I274 HydrophobicContact CB-CD1 4.02Å; M72-I274 HydrophobicContact CB-CG1 4.16Å; M72-I274 HydrophobicContact CB-CG2 3.74Å; M72-I274 HydrophobicContact CG-CD1 3.86Å; M72-I274 HydrophobicContact CG-CG1 3.94Å; M72-I274 HydrophobicContact CG-CG2 4.42Å; M72-C278 HydrophobicContact CE-CB 4.2Å; M72-L282 HydrophobicContact CB-CD1 4.2Å; M72-L282 HydrophobicContact CE-CD1 3.83Å; M72-W284 HydrophobicContact CE-CH2 4.24Å; M72-W284 HydrophobicContact SD-CH2 3.76Å; M72-W284 HydrophobicContact SD-CZ2 4.38Å
73	M	98.5	Very high	97.1	Very high	17 Å²	17	53.2 Å²	53.2	8%	0.084	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-35.1	178.3	-175.1	60	66.6	0	0	112	G71 I76 M77 F99 R267 I274	G71-M73 PolarHBondContact O-N 3.17Å; M73-I76 PolarHBondContact O-N 3.22Å; M73-M77 HydrophobicContact CG-CG 4.35Å; M73-M77 WeakPolarHBondContact O-CB 3.26Å; M73-M77 WeakPolarHBondContact O-CG 3.4Å; M73-M77 PolarHBondContact O-N 3.2Å; M73-M77 HydrophobicContact SD-CE 4.34Å; M73-M77 HydrophobicContact SD-CG 4.19Å; M73-M77 HydrophobicContact SD-SD 4.49Å; M73-F99 HydrophobicContact CE-CZ 4.36Å; M73-F99 HydrophobicContact SD-CZ 4.21Å; M73-R267 HydrophobicContact CE-CG 3.79Å; M73-R267 HydrophobicContact CG-CG 4.25Å; M73-R267 HydrophobicContact SD-CG 3.89Å; M73-I274 HydrophobicContact CB-CD1 4Å; M73-I274 HydrophobicContact CE-CD1 3.76Å
74	E	98.3	Very high	97	Very high	120 Å²	120	51.7 Å²	51.7	56%	0.561	26%	0.256	S	S	*	.	H	α-helix	trans	-63.3	-43.4	173.9	-175.4	-179	177.3	0	0	111	M70 G71 M72 M77 S78	M70-E74 HydrophobicContact CB-CB 4.36Å; M70-E74 HydrophobicContact CB-CG 4.19Å; M70-E74 WeakPolarHBondContact CB-OE2 3.33Å; G71-E74 PolarHBondContact N-OE2 3.18Å; G71-E74 WeakPolarHBondContact O-CB 3.38Å; G71-E74 PolarHBondContact O-N 3.45Å; G71-E74 VanDerWaalsContact O-N 3.17Å; M72-E74 VanDerWaalsContact C-N 3.3Å; M72-E74 PolarHBondContact O-N 2.98Å; E74-M77 PolarHBondContact O-N 3.5Å; E74-S78 PolarHBondContact O-N 3.19Å
75	A	98.3	Very high	96.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-44.7	175.2	0	0	0	0	0	112.3	M70 G71 M72 M77 S78 V124 I127 W284	M70-A75 HydrophobicContact CG-CB 4.27Å; M70-A75 HydrophobicContact SD-CB 3.75Å; G71-A75 PolarHBondContact O-N 3Å; M72-A75 WeakPolarHBondContact O-CB 3.34Å; M72-A75 PolarHBondContact O-N 3.33Å; A75-M77 PolarHBondContact O-N 3.13Å; A75-S78 WeakPolarHBondContact O-CB 3.43Å; A75-S78 PolarHBondContact O-N 3.32Å; A75-S78 PolarHBondContact O-OG 3.05Å; A75-V124 HydrophobicContact CB-CG1 3.56Å; A75-I127 HydrophobicContact CB-CD1 4.15Å; A75-W284 HydrophobicContact CB-CH2 3.46Å; A75-W284 VanDerWaalsContact CB-CH2 3.46Å; A75-W284 HydrophobicContact CB-CZ2 3.47Å; A75-W284 VanDerWaalsContact CB-CZ2 3.47Å; A75-W284 HydrophobicContact CB-CZ3 4.13Å
76	I	98.3	Very high	96.8	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.2	-47.4	175.4	-65	158.2	0	0	0	110.8	M72 M73 S78 L79 S95 A98 F99 L120 I121 V124 I274	M72-I76 HydrophobicContact CG-CD1 3.92Å; M72-I76 VanDerWaalsContact O-CG1 3.32Å; M72-I76 WeakPolarHBondContact O-CG1 3.49Å; M72-I76 PolarHBondContact O-N 3.44Å; M73-I76 PolarHBondContact O-N 3.22Å; I76-S78 VanDerWaalsContact C-N 3.3Å; I76-S78 PolarHBondContact O-N 3.27Å; I76-L79 VanDerWaalsContact O-CB 3.32Å; I76-L79 WeakPolarHBondContact O-CB 3.19Å; I76-L79 PolarHBondContact O-N 3Å; I76-S95 WeakPolarHBondContact O-CB 3.25Å; I76-A98 HydrophobicContact CG2-CB 4.43Å; I76-F99 HydrophobicContact CG2-CE2 3.96Å; I76-F99 HydrophobicContact CG2-CZ 4.5Å; I76-L120 HydrophobicContact CD1-CD1 4.33Å; I76-L120 HydrophobicContact CD1-CD2 3.57Å; I76-L120 HydrophobicContact CD1-CG 3.65Å; I76-I121 HydrophobicContact CD1-CG2 4.36Å; I76-V124 HydrophobicContact CG1-CG2 3.48Å; I76-V124 VanDerWaalsContact CG1-CG2 3.48Å; I76-I274 HydrophobicContact CD1-CD1 4.14Å
77	M	97.8	Very high	96.5	Very high	38 Å²	38	45.3 Å²	45.3	19%	0.187	22%	0.223	C	C	.	.	H	α-helix	trans	-69.5	-26.2	180	-61.1	-71.8	86.8	0	0	112.7	M73 E74 A75 L79 D80 F99 V263	M73-M77 HydrophobicContact CG-CG 4.35Å; M73-M77 WeakPolarHBondContact O-CB 3.26Å; M73-M77 WeakPolarHBondContact O-CG 3.4Å; M73-M77 PolarHBondContact O-N 3.2Å; M73-M77 HydrophobicContact SD-CE 4.34Å; M73-M77 HydrophobicContact SD-CG 4.19Å; M73-M77 HydrophobicContact SD-SD 4.49Å; E74-M77 PolarHBondContact O-N 3.5Å; A75-M77 PolarHBondContact O-N 3.13Å; M77-L79 PolarHBondContact O-N 3.44Å; M77-D80 VanDerWaalsContact O-CB 3.24Å; M77-D80 WeakPolarHBondContact O-CB 3.5Å; M77-D80 PolarHBondContact O-N 2.87Å; M77-F99 HydrophobicContact CE-CE2 3.44Å; M77-F99 VanDerWaalsContact CE-CE2 3.44Å; M77-F99 HydrophobicContact CE-CZ 3.98Å; M77-V263 HydrophobicContact CE-CG1 4.02Å; M77-V263 HydrophobicContact SD-CG1 4.21Å
78	S	97.4	Very high	96	Very high	23 Å²	23	42 Å²	42	16%	0.161	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-27.6	173.3	79.1	0	0	0	0	112.4	E74 A75 I76 D80 Q81 L130	E74-S78 PolarHBondContact O-N 3.19Å; A75-S78 WeakPolarHBondContact O-CB 3.43Å; A75-S78 PolarHBondContact O-N 3.32Å; A75-S78 PolarHBondContact O-OG 3.05Å; I76-S78 VanDerWaalsContact C-N 3.3Å; I76-S78 PolarHBondContact O-N 3.27Å; S78-D80 PolarHBondContact O-N 2.83Å; S78-Q81 WeakPolarHBondContact O-CB 3.24Å; S78-Q81 PolarHBondContact O-N 3.3Å; S78-Q81 PolarHBondContact O-NE2 3.3Å; S78-L130 VanDerWaalsContact O-CD1 3.29Å; S78-L130 WeakPolarHBondContact O-CD1 3.25Å
79	L	97.1	Very high	95.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-69.8	-3.8	175.8	-56.3	-174.6	0	0	0	114	I76 M77 Q81 L82 N94 K126	I76-L79 VanDerWaalsContact O-CB 3.32Å; I76-L79 WeakPolarHBondContact O-CB 3.19Å; I76-L79 PolarHBondContact O-N 3Å; M77-L79 PolarHBondContact O-N 3.44Å; L79-Q81 PolarHBondContact O-N 3Å; L79-Q81 VanDerWaalsContact O-N 3.12Å; L79-L82 HydrophobicContact CD2-CD2 4.12Å; L79-L82 PolarHBondContact O-N 3.47Å; L79-L82 VanDerWaalsContact O-N 3.08Å; L79-N94 HydrophobicContact CB-CB 4.33Å; L79-N94 PolarHBondContact O-N 3.33Å; L79-K126 HydrophobicContact CD2-CB 4.22Å
80	D	95.1	Very high	94.3	Very high	79 Å²	79	34.2 Å²	34.2	42%	0.422	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-56.2	-22.4	165	-72.9	-8.2	0	0	0	111.8	M77 S78 P93 S95	M77-D80 VanDerWaalsContact O-CB 3.24Å; M77-D80 WeakPolarHBondContact O-CB 3.5Å; M77-D80 PolarHBondContact O-N 2.87Å; S78-D80 PolarHBondContact O-N 2.83Å; D80-P93 WeakPolarHBondContact O-CB 3.43Å; D80-S95 WeakPolarHBondContact OD1-CB 3.17Å; D80-S95 PolarHBondContact OD1-OG 3.38Å
81	Q	94.8	Very high	93.9	Very high	154 Å²	154	38.4 Å²	38.4	72%	0.72	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-93.7	-1.1	-178.7	-63.1	170.5	85.9	0	0	113.5	S78 L79 L130	S78-Q81 WeakPolarHBondContact O-CB 3.24Å; S78-Q81 PolarHBondContact O-N 3.3Å; S78-Q81 PolarHBondContact O-NE2 3.3Å; L79-Q81 PolarHBondContact O-N 3Å; L79-Q81 VanDerWaalsContact O-N 3.12Å; Q81-L130 HydrophobicContact CB-CD2 4.13Å
82	L	95.5	Very high	93.4	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.042	20%	0.199	C	C	.	.			trans	-118.2	127.2	-173	-175.4	67.4	0	0	0	111.6	L79 P93 N94 K126 A129 L130	L79-L82 HydrophobicContact CD2-CD2 4.12Å; L79-L82 PolarHBondContact O-N 3.47Å; L79-L82 VanDerWaalsContact O-N 3.08Å; L82-P93 WeakPolarHBondContact O-CA 3.46Å; L82-N94 PolarHBondContact O-N 3.41Å; L82-K126 HydrophobicContact CD2-CB 3.53Å; L82-K126 HydrophobicContact CD2-CD 4.39Å; L82-K126 HydrophobicContact CD2-CG 4.49Å; L82-A129 HydrophobicContact CD1-CB 3.76Å; L82-A129 HydrophobicContact CD2-CB 4.25Å; L82-L130 HydrophobicContact CB-CD2 4.37Å
83	V	94.1	Very high	93.1	Very high	50 Å²	50	40.4 Å²	40.4	30%	0.303	21%	0.21	S	C	.	.			trans	-110.2	132.3	163.6	179.3	0	0	0	0	107.9	E85 D91 Q135	V83-E85 PolarHBondContact O-N 2.82Å; V83-D91 WeakPolarHBondContact CG1-OD1 3.5Å; V83-Q135 PolarHBondContact O-NE2 3.08Å; V83-Q135 PolarHBondContact O-OE1 3.02Å
84	D	94	Very high	92.8	Very high	9 Å²	9	40 Å²	40	5%	0.048	21%	0.208	C	C	.	.			trans	-76.5	116.5	-179.1	-168	-37.3	0	0	0	111	R38 S86 D87 K126 V139	R38-D84 PolarHBondContact NH2-O 2.71Å; D84-S86 VanDerWaalsContact C-N 3.3Å; D84-S86 PolarHBondContact O-N 2.96Å; D84-S86 WeakPolarHBondContact OD1-CA 3.33Å; D84-S86 WeakPolarHBondContact OD1-CB 3.42Å; D84-S86 PolarHBondContact OD1-N 3.1Å; D84-S86 PolarHBondContact OD1-OG 3.02Å; D84-D87 HydrophobicContact CB-CB 3.99Å; D84-D87 PolarHBondContact OD1-N 2.77Å; D84-K126 WeakPolarHBondContact OD2-CE 3.41Å; D84-K126 IonicContact OD2-NZ 3.54Å; D84-K126 PolarHBondContact OD2-NZ 3.43Å; D84-V139 WeakPolarHBondContact OD1-CG2 3.34Å
85	E	94.2	Very high	92.6	Very high	89 Å²	89	34.2 Å²	34.2	42%	0.416	18%	0.181	S	C	.	.	S	Bend	trans	-78.9	-10.9	-179.9	-70.3	-179.9	168.6	0	0	113.7	V39 T42 V83	V39-E85 WeakPolarHBondContact CA-O 3.25Å; V39-E85 PolarHBondContact N-O 2.83Å; T42-E85 WeakPolarHBondContact OG1-CB 3.3Å; T42-E85 PolarHBondContact OG1-O 3.2Å; V83-E85 PolarHBondContact O-N 2.82Å
86	S	93.2	Very high	92.3	Very high	6 Å²	6	36.5 Å²	36.5	4%	0.042	19%	0.191	C	C	.	.	S	Bend	trans	-94.1	-15.9	177.1	73.8	0	0	0	0	113.3	V39 D84 P88 V139 G140	V39-S86 WeakPolarHBondContact CG1-O 3.46Å; D84-S86 VanDerWaalsContact C-N 3.3Å; D84-S86 PolarHBondContact O-N 2.96Å; D84-S86 WeakPolarHBondContact OD1-CA 3.33Å; D84-S86 WeakPolarHBondContact OD1-CB 3.42Å; D84-S86 PolarHBondContact OD1-N 3.1Å; D84-S86 PolarHBondContact OD1-OG 3.02Å; S86-P88 WeakPolarHBondContact O-CD 3.26Å; S86-V139 WeakPolarHBondContact OG-CG2 3.34Å; S86-G140 VanDerWaalsContact OG-CA 3.23Å; S86-G140 WeakPolarHBondContact OG-CA 3.32Å; S86-G140 PolarHBondContact OG-N 2.68Å; S86-G140 VanDerWaalsContact OG-N 3.13Å
87	D	90.2	Very high	92.2	Very high	9 Å²	9	36.6 Å²	36.6	5%	0.048	19%	0.192	C	C	.	.			trans	-82.3	119.5	-179.1	-160.5	-34.4	0	0	0	111.5	R38 D84 D89 V90 K256	R38-D87 PolarHBondContact NH2-O 3.3Å; D84-D87 HydrophobicContact CB-CB 3.99Å; D84-D87 PolarHBondContact OD1-N 2.77Å; D87-D89 WeakPolarHBondContact OD1-CB 3.42Å; D87-D89 PolarHBondContact OD1-N 3.43Å; D87-V90 HydrophobicContact CB-CG2 4.28Å; D87-V90 WeakPolarHBondContact OD2-CG2 3.46Å; D87-K256 IonicContact OD1-NZ 3.92Å; D87-K256 WeakPolarHBondContact OD2-CE 3.48Å; D87-K256 IonicContact OD2-NZ 3.86Å; D87-K256 PolarHBondContact OD2-NZ 3.27Å
88	P	87.6	Confident	92.1	Very high	24 Å²	24	34.8 Å²	34.8	16%	0.156	18%	0.183	C	C	.	.	S	Bend	trans	-82.6	-11.7	176.3	35	-35.6	0	0	0	113.6	F30 L35 V39 S86	F30-P88 HydrophobicContact CE1-CG 3.97Å; F30-P88 HydrophobicContact CZ-CG 4.21Å; L35-P88 WeakPolarHBondContact CD1-O 3.46Å; V39-P88 HydrophobicContact CG2-CB 4.31Å; S86-P88 WeakPolarHBondContact O-CD 3.26Å
89	D	83.7	Confident	92.1	Very high	41 Å²	41	33.7 Å²	33.7	22%	0.219	18%	0.175	C	C	.	.	S	Bend	trans	-98.7	-27.8	-167.8	-58.9	-40.9	0	0	0	112.9	Y27 R28 D87 K256	Y27-D89 WeakPolarHBondContact CA-OD1 3.31Å; Y27-D89 HydrophobicContact CD1-CB 4.29Å; Y27-D89 HydrophobicContact CE1-CB 4.49Å; R28-D89 PolarHBondContact N-OD1 3.49Å; R28-D89 PolarHBondContact N-OD2 3.18Å; D87-D89 WeakPolarHBondContact OD1-CB 3.42Å; D87-D89 PolarHBondContact OD1-N 3.43Å; D89-K256 HydrophobicContact CB-CD 4.33Å
90	V	77.1	Confident	92	Very high	16 Å²	16	34.4 Å²	34.4	10%	0.097	18%	0.178	C	C	.	.			trans	-133.9	151.7	-173.9	-61.2	0	0	0	0	114.2	R38 D87 F92 K256	R38-V90 PolarHBondContact NH2-O 2.76Å; D87-V90 HydrophobicContact CB-CG2 4.28Å; D87-V90 WeakPolarHBondContact OD2-CG2 3.46Å; V90-F92 HydrophobicContact CB-CD1 3.93Å; V90-F92 HydrophobicContact CB-CE1 3.54Å; V90-F92 HydrophobicContact CB-CZ 3.88Å; V90-F92 HydrophobicContact CG1-CD1 4.22Å; V90-F92 HydrophobicContact CG1-CE1 3.36Å; V90-F92 HydrophobicContact CG1-CZ 3.6Å; V90-F92 HydrophobicContact CG2-CZ 4.42Å; V90-K256 HydrophobicContact CG1-CB 3.64Å; V90-K256 HydrophobicContact CG1-CD 4.01Å; V90-K256 HydrophobicContact CG1-CG 3.97Å; V90-K256 HydrophobicContact CG2-CD 4.43Å
91	D	89	Confident	92.2	Very high	104 Å²	104	30.6 Å²	30.6	56%	0.556	16%	0.158	S	C	*	.			trans	-138.9	45.9	178.5	-163.4	30	0	0	0	111.2	L35 R38 V83	L35-D91 HydrophobicContact CD1-CB 4.45Å; R38-D91 IonicContact CZ-OD1 3.25Å; R38-D91 IonicContact NH1-OD1 3.72Å; R38-D91 PolarHBondContact NH1-OD1 3.03Å; R38-D91 IonicContact NH2-OD1 3.71Å; V83-D91 WeakPolarHBondContact CG1-OD1 3.5Å
92	F	87.9	Confident	92.3	Very high	26 Å²	26	23.3 Å²	23.3	11%	0.114	12%	0.124	C	C	.	.	S	Bend	trans	-133	166.7	177.8	59	-108.3	0	0	0	110.5	V90 N94 F96 H97 T257 L260	V90-F92 HydrophobicContact CB-CD1 3.93Å; V90-F92 HydrophobicContact CB-CE1 3.54Å; V90-F92 HydrophobicContact CB-CZ 3.88Å; V90-F92 HydrophobicContact CG1-CD1 4.22Å; V90-F92 HydrophobicContact CG1-CE1 3.36Å; V90-F92 HydrophobicContact CG1-CZ 3.6Å; V90-F92 HydrophobicContact CG2-CZ 4.42Å; F92-N94 PolarHBondContact O-N 3.02Å; F92-F96 HydrophobicContact CD2-CB 3.99Å; F92-F96 HydrophobicContact CE2-CB 4Å; F92-H97 HydrophobicContact CE2-CB 4.2Å; F92-T257 VanDerWaalsContact CE1-O 3.28Å; F92-T257 WeakPolarHBondContact CE1-O 3.4Å; F92-L260 HydrophobicContact CD1-CD2 4.36Å; F92-L260 HydrophobicContact CD2-CD2 4.11Å; F92-L260 HydrophobicContact CE2-CD2 4.3Å; F92-L260 HydrophobicContact CG-CD2 4.15Å
93	P	92.9	Very high	92.4	Very high	36 Å²	36	25.7 Å²	25.7	23%	0.234	14%	0.135	C	C	.	.			trans	-58.5	134.6	-176.4	-25.7	34.6	0	0	0	113.8	D80 L82 S95 F96	D80-P93 WeakPolarHBondContact O-CB 3.43Å; L82-P93 WeakPolarHBondContact O-CA 3.46Å; P93-S95 PolarHBondContact O-N 2.96Å; P93-S95 VanDerWaalsContact O-N 3.09Å; P93-F96 HydrophobicContact CB-CD2 3.94Å; P93-F96 HydrophobicContact CB-CE2 4.19Å; P93-F96 HydrophobicContact CG-CD2 4.17Å; P93-F96 HydrophobicContact CG-CE2 4.09Å; P93-F96 PolarHBondContact O-N 3.46Å
94	N	92.6	Very high	92.6	Very high	7 Å²	7	23.8 Å²	23.8	4%	0.037	13%	0.125	C	C	.	.	H	α-helix	trans	-65.1	-18	-172.8	-157.2	105.1	0	0	0	113.3	L79 L82 F92 F96 H97 A98 D123 K126	L79-N94 HydrophobicContact CB-CB 4.33Å; L79-N94 PolarHBondContact O-N 3.33Å; L82-N94 PolarHBondContact O-N 3.41Å; F92-N94 PolarHBondContact O-N 3.02Å; N94-F96 VanDerWaalsContact C-N 3.3Å; N94-F96 PolarHBondContact O-N 2.94Å; N94-H97 WeakPolarHBondContact O-CB 3.43Å; N94-H97 PolarHBondContact O-N 3.33Å; N94-A98 PolarHBondContact O-N 3.04Å; N94-D123 WeakPolarHBondContact ND2-CB 3.4Å; N94-D123 PolarHBondContact ND2-OD2 3.16Å; N94-D123 PolarHBondContact OD1-OD2 2.89Å; N94-K126 WeakPolarHBondContact OD1-CD 3.46Å; N94-K126 PolarHBondContact OD1-NZ 3.49Å
95	S	94.2	Very high	92.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.6	-37	171.8	58.4	0	0	0	0	112.7	I76 D80 P93 A98 F99	I76-S95 WeakPolarHBondContact O-CB 3.25Å; D80-S95 WeakPolarHBondContact OD1-CB 3.17Å; D80-S95 PolarHBondContact OD1-OG 3.38Å; P93-S95 PolarHBondContact O-N 2.96Å; P93-S95 VanDerWaalsContact O-N 3.09Å; S95-A98 WeakPolarHBondContact O-CB 3.36Å; S95-A98 PolarHBondContact O-N 2.79Å; S95-F99 VanDerWaalsContact O-CD2 3.29Å; S95-F99 WeakPolarHBondContact O-CD2 3.22Å; S95-F99 PolarHBondContact O-N 2.84Å
96	F	92.6	Very high	92.9	Very high	47 Å²	47	23 Å²	23	21%	0.206	12%	0.118	C	C	.	.	H	α-helix	trans	-68.5	-38.7	177.9	-69.5	-75.5	0	0	0	111.7	F92 P93 N94 A98 F99 Q100 L260 V263	F92-F96 HydrophobicContact CD2-CB 3.99Å; F92-F96 HydrophobicContact CE2-CB 4Å; P93-F96 HydrophobicContact CB-CD2 3.94Å; P93-F96 HydrophobicContact CB-CE2 4.19Å; P93-F96 HydrophobicContact CG-CD2 4.17Å; P93-F96 HydrophobicContact CG-CE2 4.09Å; P93-F96 PolarHBondContact O-N 3.46Å; N94-F96 VanDerWaalsContact C-N 3.3Å; N94-F96 PolarHBondContact O-N 2.94Å; F96-A98 VanDerWaalsContact C-N 3.3Å; F96-A98 PolarHBondContact O-N 2.95Å; F96-F99 PolarHBondContact O-N 3.32Å; F96-Q100 WeakPolarHBondContact O-CG 3.48Å; F96-Q100 PolarHBondContact O-N 3.45Å; F96-L260 HydrophobicContact CB-CD2 3.89Å; F96-L260 HydrophobicContact CD1-CB 3.89Å; F96-L260 HydrophobicContact CD1-CD1 4.1Å; F96-L260 HydrophobicContact CD1-CD2 4.25Å; F96-L260 HydrophobicContact CD1-CG 4.3Å; F96-L260 HydrophobicContact CD2-CD1 4.09Å; F96-L260 HydrophobicContact CD2-CD2 4.43Å; F96-L260 HydrophobicContact CE1-CB 4.14Å; F96-L260 HydrophobicContact CE1-CD1 4.05Å; F96-L260 HydrophobicContact CE2-CD1 4.05Å; F96-L260 HydrophobicContact CG-CB 4.45Å; F96-L260 HydrophobicContact CG-CD1 4.12Å; F96-L260 HydrophobicContact CG-CD2 3.95Å; F96-L260 HydrophobicContact CG-CG 4.4Å; F96-L260 HydrophobicContact CZ-CD1 4.03Å; F96-V263 HydrophobicContact CD1-CG2 3.98Å; F96-V263 HydrophobicContact CE1-CG2 3.91Å
97	H	94.3	Very high	93.1	Very high	3 Å²	3	29 Å²	29	1%	0.014	14%	0.143	C	C	.	.	H	α-helix	trans	-56.7	-45.1	174.8	174.2	50.5	0	0	0	110.9	F92 N94 F99 Q100 T101 H122 D123 D252 K256	F92-H97 HydrophobicContact CE2-CB 4.2Å; N94-H97 WeakPolarHBondContact O-CB 3.43Å; N94-H97 PolarHBondContact O-N 3.33Å; H97-F99 VanDerWaalsContact C-N 3.34Å; H97-F99 PolarHBondContact O-N 2.79Å; H97-Q100 WeakPolarHBondContact O-CB 3.31Å; H97-Q100 PolarHBondContact O-N 2.87Å; H97-T101 PolarHBondContact CE1-OG1 2.81Å; H97-T101 PolarHBondContact O-N 3.1Å; H97-T101 PolarHBondContact O-OG1 3.2Å; H97-H122 AromaticContact CD2-CE1 3.95Å; H97-H122 AromaticContact CD2-NE2 3.79Å; H97-H122 AromaticContact NE2-CE1 3.54Å; H97-H122 AromaticContact NE2-NE2 3.22Å; H97-H122 PolarHBondContact NE2-NE2 3.17Å; H97-D123 IonicContact CD2-OD2 2.74Å; H97-D123 PolarHBondContact CD2-OD2 3.25Å; H97-D123 IonicContact NE2-OD2 3.17Å; H97-D252 PolarHBondContact CE1-O 3.5Å; H97-D252 IonicContact CE1-OD1 3.18Å; H97-D252 PolarHBondContact CE1-OD1 3.45Å; H97-D252 IonicContact NE2-OD1 2.67Å; H97-D252 PolarHBondContact NE2-OD1 3.1Å; H97-K256 VanDerWaalsContact CE1-CE 3.4Å; H97-K256 WeakPolarHBondContact CE1-CE 3.39Å
98	A	96.3	Very high	93.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-53.3	-46	174.9	0	0	0	0	0	113.3	I76 N94 S95 F96 A102 L120	I76-A98 HydrophobicContact CG2-CB 4.43Å; N94-A98 PolarHBondContact O-N 3.04Å; S95-A98 WeakPolarHBondContact O-CB 3.36Å; S95-A98 PolarHBondContact O-N 2.79Å; F96-A98 VanDerWaalsContact C-N 3.3Å; F96-A98 PolarHBondContact O-N 2.95Å; A98-A102 VanDerWaalsContact O-CB 3.32Å; A98-A102 WeakPolarHBondContact O-CB 3.26Å; A98-A102 PolarHBondContact O-N 3.32Å; A98-A102 VanDerWaalsContact O-N 3.1Å; A98-L120 HydrophobicContact CB-CD1 4.39Å; A98-L120 VanDerWaalsContact CB-O 3.25Å; A98-L120 WeakPolarHBondContact CB-O 3.47Å
99	F	97.6	Very high	93.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-70.9	-35.1	176.7	-74.1	-84.9	0	0	0	112.9	M73 I76 M77 S95 F96 H97 A102 E103 L120 P261 V263 L266 Y270	M73-F99 HydrophobicContact CE-CZ 4.36Å; M73-F99 HydrophobicContact SD-CZ 4.21Å; I76-F99 HydrophobicContact CG2-CE2 3.96Å; I76-F99 HydrophobicContact CG2-CZ 4.5Å; M77-F99 HydrophobicContact CE-CE2 3.44Å; M77-F99 VanDerWaalsContact CE-CE2 3.44Å; M77-F99 HydrophobicContact CE-CZ 3.98Å; S95-F99 VanDerWaalsContact O-CD2 3.29Å; S95-F99 WeakPolarHBondContact O-CD2 3.22Å; S95-F99 PolarHBondContact O-N 2.84Å; F96-F99 PolarHBondContact O-N 3.32Å; H97-F99 VanDerWaalsContact C-N 3.34Å; H97-F99 PolarHBondContact O-N 2.79Å; F99-A102 PolarHBondContact O-N 3.17Å; F99-E103 WeakPolarHBondContact O-CB 3.3Å; F99-E103 WeakPolarHBondContact O-CG 3.42Å; F99-E103 PolarHBondContact O-N 3.18Å; F99-L120 HydrophobicContact CD1-CD1 3.79Å; F99-L120 HydrophobicContact CD2-CD1 4.22Å; F99-L120 HydrophobicContact CE1-CD1 3.71Å; F99-L120 HydrophobicContact CE2-CD1 4.08Å; F99-L120 HydrophobicContact CG-CD1 4.05Å; F99-L120 HydrophobicContact CZ-CD1 3.84Å; F99-P261 HydrophobicContact CB-CG 3.74Å; F99-V263 HydrophobicContact CD2-CG1 4.19Å; F99-V263 HydrophobicContact CD2-CG2 3.94Å; F99-V263 HydrophobicContact CE1-CG1 4.3Å; F99-V263 HydrophobicContact CE2-CG1 3.71Å; F99-V263 HydrophobicContact CE2-CG2 4.28Å; F99-V263 HydrophobicContact CG-CG2 4.31Å; F99-V263 HydrophobicContact CZ-CG1 3.75Å; F99-L266 HydrophobicContact CB-CD1 4.23Å; F99-L266 HydrophobicContact CD1-CB 3.93Å; F99-L266 HydrophobicContact CD1-CD1 3.94Å; F99-L266 HydrophobicContact CE1-CB 4.13Å; F99-L266 HydrophobicContact CG-CD1 4.43Å; F99-Y270 AromaticContact CD1-CD2 3.76Å; F99-Y270 HydrophobicContact CD1-CD2 3.76Å; F99-Y270 AromaticContact CD1-CE2 3.94Å; F99-Y270 HydrophobicContact CD1-CE2 3.94Å; F99-Y270 AromaticContact CE1-CD2 3.67Å; F99-Y270 HydrophobicContact CE1-CD2 3.67Å; F99-Y270 HydrophobicContact CE1-CE2 4.33Å; F99-Y270 HydrophobicContact CE1-CG 4.25Å
100	Q	96	Very high	94.6	Very high	14 Å²	14	35.5 Å²	35.5	7%	0.065	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-48.1	176.3	-75	177.3	-20.6	0	0	111.2	F96 H97 A102 E103 G104 T255 T257 D259 P261	F96-Q100 WeakPolarHBondContact O-CG 3.48Å; F96-Q100 PolarHBondContact O-N 3.45Å; H97-Q100 WeakPolarHBondContact O-CB 3.31Å; H97-Q100 PolarHBondContact O-N 2.87Å; Q100-A102 PolarHBondContact O-N 3.03Å; Q100-E103 PolarHBondContact O-N 3.15Å; Q100-G104 PolarHBondContact O-N 3.07Å; Q100-T255 PolarHBondContact OE1-O 2.76Å; Q100-T257 VanDerWaalsContact NE2-CG2 3.3Å; Q100-T257 PolarHBondContact NE2-O 3.11Å; Q100-D259 PolarHBondContact NE2-O 2.94Å; Q100-P261 HydrophobicContact CG-CG 4.21Å
101	T	97.5	Very high	95.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.7	-46.2	177.2	-55.2	0	0	0	0	111	H97 E103 G104 I105 F248 F251 D252 T255	H97-T101 PolarHBondContact CE1-OG1 2.81Å; H97-T101 PolarHBondContact O-N 3.1Å; H97-T101 PolarHBondContact O-OG1 3.2Å; T101-E103 PolarHBondContact O-N 2.77Å; T101-G104 PolarHBondContact O-N 3.25Å; T101-I105 HydrophobicContact CG2-CD1 4.09Å; T101-I105 WeakPolarHBondContact O-CG1 3.46Å; T101-I105 PolarHBondContact O-N 3.44Å; T101-F248 HydrophobicContact CG2-CE2 4.11Å; T101-F248 HydrophobicContact CG2-CZ 4.36Å; T101-F251 HydrophobicContact CG2-CB 4.07Å; T101-D252 HydrophobicContact CG2-CB 4.45Å; T101-T255 WeakPolarHBondContact CA-OG1 3.45Å; T101-T255 PolarHBondContact N-OG1 2.82Å
102	A	98.3	Very high	96	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.2	-44.5	-180	0	0	0	0	0	112.7	A98 F99 Q100 I105 R106 Q116 L120 Y270	A98-A102 VanDerWaalsContact O-CB 3.32Å; A98-A102 WeakPolarHBondContact O-CB 3.26Å; A98-A102 PolarHBondContact O-N 3.32Å; A98-A102 VanDerWaalsContact O-N 3.1Å; F99-A102 PolarHBondContact O-N 3.17Å; Q100-A102 PolarHBondContact O-N 3.03Å; A102-I105 PolarHBondContact O-N 3.08Å; A102-R106 VanDerWaalsContact O-CB 3.3Å; A102-R106 WeakPolarHBondContact O-CB 3.5Å; A102-R106 PolarHBondContact O-N 3.2Å; A102-Q116 WeakPolarHBondContact CB-O 3.39Å; A102-L120 HydrophobicContact CB-CB 3.91Å; A102-L120 HydrophobicContact CB-CD1 4.37Å; A102-Y270 HydrophobicContact CB-CD1 4.42Å; A102-Y270 HydrophobicContact CB-CE1 3.48Å; A102-Y270 VanDerWaalsContact CB-CE1 3.48Å; A102-Y270 HydrophobicContact CB-CE2 4.42Å; A102-Y270 VanDerWaalsContact CB-CZ 3.48Å; A102-Y270 VanDerWaalsContact CB-OH 3.31Å; A102-Y270 WeakPolarHBondContact CB-OH 3.28Å; A102-Y270 PolarHBondContact O-OH 2.79Å
103	E	97.9	Very high	96.5	Very high	58 Å²	58	38.2 Å²	38.2	27%	0.271	19%	0.191	S	C	.	.	H	α-helix	trans	-69.8	-35.4	178.3	-74.7	-67.3	108.7	0	0	112.3	F99 Q100 T101 R106 K107 L266 Y270	F99-E103 WeakPolarHBondContact O-CB 3.3Å; F99-E103 WeakPolarHBondContact O-CG 3.42Å; F99-E103 PolarHBondContact O-N 3.18Å; Q100-E103 PolarHBondContact O-N 3.15Å; T101-E103 PolarHBondContact O-N 2.77Å; E103-R106 PolarHBondContact O-N 2.91Å; E103-R106 WeakPolarHBondContact OE1-CD 3.5Å; E103-R106 IonicContact OE1-CZ 2.68Å; E103-R106 IonicContact OE1-NH1 2.73Å; E103-R106 PolarHBondContact OE1-NH1 3.38Å; E103-R106 IonicContact OE2-NH1 3.56Å; E103-K107 WeakPolarHBondContact O-CB 3.41Å; E103-K107 PolarHBondContact O-N 2.81Å; E103-L266 HydrophobicContact CG-CD1 3.69Å; E103-L266 HydrophobicContact CG-CD2 4.12Å; E103-Y270 HydrophobicContact CG-CE2 4.4Å; E103-Y270 PolarHBondContact N-OH 3.38Å; E103-Y270 WeakPolarHBondContact OE1-CE2 3.36Å; E103-Y270 VanDerWaalsContact OE1-CZ 3.31Å; E103-Y270 PolarHBondContact OE1-OH 2.88Å
104	G	96.6	Very high	96.8	Very high	10 Å²	10	38.2 Å²	38.2	10%	0.103	19%	0.187	C	C	.	.	H	α-helix	trans	-59.4	-49.1	171.8	0	0	0	0	0	111.8	Q100 T101 R106 K107 E108 F251	Q100-G104 PolarHBondContact O-N 3.07Å; T101-G104 PolarHBondContact O-N 3.25Å; G104-R106 VanDerWaalsContact C-N 3.35Å; G104-R106 PolarHBondContact O-N 2.94Å; G104-K107 PolarHBondContact O-N 2.95Å; G104-E108 PolarHBondContact O-N 3.33Å; G104-F251 VanDerWaalsContact C-CD1 3.4Å; G104-F251 VanDerWaalsContact O-CE1 3.3Å; G104-F251 WeakPolarHBondContact O-CE1 3.43Å
105	I	98.1	Very high	97.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62	-44.6	176.1	-67.1	170.9	0	0	0	110.5	T101 A102 K107 E108 H109 F115 Q116 F248 F251	T101-I105 HydrophobicContact CG2-CD1 4.09Å; T101-I105 WeakPolarHBondContact O-CG1 3.46Å; T101-I105 PolarHBondContact O-N 3.44Å; A102-I105 PolarHBondContact O-N 3.08Å; I105-K107 VanDerWaalsContact C-N 3.26Å; I105-K107 PolarHBondContact O-N 3.46Å; I105-E108 PolarHBondContact O-N 3.31Å; I105-H109 HydrophobicContact CG2-CB 4.26Å; I105-H109 WeakPolarHBondContact O-CA 3.42Å; I105-H109 WeakPolarHBondContact O-CB 3.27Å; I105-H109 PolarHBondContact O-N 3.43Å; I105-F115 HydrophobicContact CD1-CD2 4.14Å; I105-F115 HydrophobicContact CD1-CE2 3.96Å; I105-F115 HydrophobicContact CD1-CZ 4.24Å; I105-F115 HydrophobicContact CG1-CZ 4.45Å; I105-F115 HydrophobicContact CG2-CB 4.02Å; I105-F115 HydrophobicContact CG2-CD1 3.43Å; I105-F115 VanDerWaalsContact CG2-CD1 3.43Å; I105-F115 HydrophobicContact CG2-CD2 4.21Å; I105-F115 HydrophobicContact CG2-CE1 3.89Å; I105-F115 HydrophobicContact CG2-CG 3.61Å; I105-F115 HydrophobicContact CG2-CZ 4.46Å; I105-Q116 HydrophobicContact CG2-CG 3.97Å; I105-F248 HydrophobicContact CD1-CD2 3.96Å; I105-F248 HydrophobicContact CD1-CE2 4.11Å; I105-F251 HydrophobicContact CB-CG 4.46Å; I105-F251 HydrophobicContact CD1-CB 4.22Å; I105-F251 HydrophobicContact CD1-CD2 4.34Å; I105-F251 HydrophobicContact CD1-CG 4.38Å; I105-F251 HydrophobicContact CG1-CB 3.63Å; I105-F251 HydrophobicContact CG1-CD1 3.93Å; I105-F251 HydrophobicContact CG1-CD2 3.5Å; I105-F251 HydrophobicContact CG1-CE1 4.46Å; I105-F251 HydrophobicContact CG1-CE2 4.12Å; I105-F251 HydrophobicContact CG1-CG 3.4Å
106	R	98	Very high	97.3	Very high	82 Å²	82	38 Å²	38	31%	0.309	19%	0.185	S	C	.	.	H	α-helix	trans	-59.6	-36	-179	177.3	174.7	178.4	-165.8	1.6	113.1	A102 E103 G104 P110 Q116 Y269	A102-R106 VanDerWaalsContact O-CB 3.3Å; A102-R106 WeakPolarHBondContact O-CB 3.5Å; A102-R106 PolarHBondContact O-N 3.2Å; E103-R106 PolarHBondContact O-N 2.91Å; E103-R106 WeakPolarHBondContact OE1-CD 3.5Å; E103-R106 IonicContact OE1-CZ 2.68Å; E103-R106 IonicContact OE1-NH1 2.73Å; E103-R106 PolarHBondContact OE1-NH1 3.38Å; E103-R106 IonicContact OE2-NH1 3.56Å; G104-R106 VanDerWaalsContact C-N 3.35Å; G104-R106 PolarHBondContact O-N 2.94Å; R106-P110 WeakPolarHBondContact O-CA 3.46Å; R106-Q116 HydrophobicContact CB-CB 4.45Å; R106-Q116 HydrophobicContact CB-CG 3.79Å; R106-Q116 HydrophobicContact CG-CG 4.42Å; R106-Y269 VanDerWaalsContact NH1-CD1 3.3Å
107	K	97	Very high	97.6	Very high	133 Å²	133	35.8 Å²	35.8	58%	0.578	18%	0.175	S	C	*	.	H	α-helix	trans	-64.9	-42.5	178.2	-176.6	179.4	173.9	-176.4	0	112.4	E103 G104 I105	E103-K107 WeakPolarHBondContact O-CB 3.41Å; E103-K107 PolarHBondContact O-N 2.81Å; G104-K107 PolarHBondContact O-N 2.95Å; I105-K107 VanDerWaalsContact C-N 3.26Å; I105-K107 PolarHBondContact O-N 3.46Å
108	E	97.1	Very high	97.8	Very high	84 Å²	84	35.6 Å²	35.6	39%	0.393	18%	0.175	S	C	.	.	H	α-helix	trans	-93.3	-28.5	-175.6	-58.2	-59.8	148.6	0	0	114	Y14 G104 I105 P110 F251	Y14-E108 HydrophobicContact CE2-CG 3.36Å; Y14-E108 VanDerWaalsContact OH-CD 3.26Å; Y14-E108 WeakPolarHBondContact OH-CG 3.44Å; Y14-E108 PolarHBondContact OH-OE1 3.08Å; G104-E108 PolarHBondContact O-N 3.33Å; I105-E108 PolarHBondContact O-N 3.31Å; E108-P110 VanDerWaalsContact O-CD 3.28Å; E108-P110 WeakPolarHBondContact O-CD 3.35Å; E108-F251 HydrophobicContact CB-CE1 4.05Å; E108-F251 HydrophobicContact CB-CZ 3.9Å; E108-F251 HydrophobicContact CG-CE1 3.68Å; E108-F251 HydrophobicContact CG-CZ 3.93Å
109	H	97.3	Very high	97.9	Very high	28 Å²	28	35.6 Å²	35.6	13%	0.13	18%	0.175	C	C	.	.			trans	-121.3	59.3	-178.9	-59.9	-82.8	0	0	0	110.6	I105 D111 K112 F115 Q116 E247 F251	I105-H109 HydrophobicContact CG2-CB 4.26Å; I105-H109 WeakPolarHBondContact O-CA 3.42Å; I105-H109 WeakPolarHBondContact O-CB 3.27Å; I105-H109 PolarHBondContact O-N 3.43Å; H109-D111 PolarHBondContact O-N 3.06Å; H109-D111 VanDerWaalsContact O-N 3.14Å; H109-K112 HydrophobicContact CB-CB 4.26Å; H109-K112 HydrophobicContact CB-CD 4.33Å; H109-K112 PolarHBondContact ND1-NZ 3.43Å; H109-K112 PolarHBondContact O-N 2.87Å; H109-K112 VanDerWaalsContact O-N 3.12Å; H109-F115 HydrophobicContact CB-CD1 4.08Å; H109-F115 AromaticContact CD2-CD1 3.95Å; H109-F115 AromaticContact CD2-CE1 3.68Å; H109-F115 AromaticContact CG-CD1 3.91Å; H109-F115 AromaticContact NE2-CE1 3.94Å; H109-Q116 PolarHBondContact O-NE2 2.86Å; H109-E247 IonicContact CD2-OE1 3.93Å; H109-E247 IonicContact CE1-OE1 3.97Å; H109-E247 PolarHBondContact CE1-OE1 2.99Å; H109-E247 IonicContact NE2-OE1 2.83Å; H109-E247 PolarHBondContact NE2-OE1 3.49Å; H109-F251 AromaticContact CD2-CE2 3.91Å; H109-F251 AromaticContact CD2-CZ 3.67Å; H109-F251 AromaticContact NE2-CE2 3.85Å; H109-F251 AromaticContact NE2-CZ 3.74Å
110	P	97.6	Very high	98	Very high	97 Å²	97	35.6 Å²	35.6	63%	0.63	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-19	-178.5	28.7	-36.7	0	0	0	112.8	R106 E108	R106-P110 WeakPolarHBondContact O-CA 3.46Å; E108-P110 VanDerWaalsContact O-CD 3.28Å; E108-P110 WeakPolarHBondContact O-CD 3.35Å
111	D	97.7	Very high	98.1	Very high	115 Å²	115	35 Å²	35	62%	0.615	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-10.2	179	65.3	-48.3	0	0	0	114	H109	H109-D111 PolarHBondContact O-N 3.06Å; H109-D111 VanDerWaalsContact O-N 3.14Å
112	K	98.1	Very high	98.2	Very high	44 Å²	44	35 Å²	35	19%	0.191	17%	0.172	C	C	.	.			trans	-118.9	72.3	-173.8	-58.8	176.1	-161.9	66.9	0	111.1	H109 W114 F115 Q116	H109-K112 HydrophobicContact CB-CB 4.26Å; H109-K112 HydrophobicContact CB-CD 4.33Å; H109-K112 PolarHBondContact ND1-NZ 3.43Å; H109-K112 PolarHBondContact O-N 2.87Å; H109-K112 VanDerWaalsContact O-N 3.12Å; K112-W114 VanDerWaalsContact C-N 3.27Å; K112-W114 HydrophobicContact CD-CZ2 4.31Å; K112-W114 PolarHBondContact O-N 3.25Å; K112-F115 HydrophobicContact CB-CB 3.8Å; K112-F115 WeakPolarHBondContact O-CB 3.38Å; K112-F115 PolarHBondContact O-N 3.05Å; K112-Q116 PolarHBondContact O-N 3.21Å
113	D	98.6	Very high	98.2	Very high	44 Å²	44	35.1 Å²	35.1	24%	0.235	17%	0.173	C	C	.	.	H	α-helix	trans	-57.9	-35.8	-179.9	62.5	-14	0	0	0	113.8	F115 Q116 L117 L273 K276 Y277	D113-F115 PolarHBondContact O-N 2.92Å; D113-Q116 WeakPolarHBondContact O-CB 3.41Å; D113-Q116 PolarHBondContact O-N 3.23Å; D113-L117 PolarHBondContact O-N 3.22Å; D113-L117 VanDerWaalsContact O-N 3.08Å; D113-L273 HydrophobicContact CB-CD2 3.83Å; D113-K276 IonicContact OD1-NZ 3.58Å; D113-K276 PolarHBondContact OD1-NZ 3.41Å; D113-K276 IonicContact OD2-NZ 3.45Å; D113-K276 PolarHBondContact OD2-NZ 3Å; D113-Y277 PolarHBondContact OD1-OH 3.25Å
114	W	98.7	Very high	98.2	Very high	37 Å²	37	32.4 Å²	32.4	14%	0.14	16%	0.16	C	C	.	.	H	α-helix	trans	-59.6	-33.5	171.1	63.7	-92.1	0	0	0	113.2	K112 L117 V118 P209 E211 M215 W244 Y277	K112-W114 VanDerWaalsContact C-N 3.27Å; K112-W114 HydrophobicContact CD-CZ2 4.31Å; K112-W114 PolarHBondContact O-N 3.25Å; W114-L117 PolarHBondContact O-N 3.33Å; W114-V118 HydrophobicContact CE3-CG2 4.33Å; W114-V118 WeakPolarHBondContact O-CG2 3.36Å; W114-V118 PolarHBondContact O-N 3.49Å; W114-P209 HydrophobicContact CB-CG 4.15Å; W114-P209 HydrophobicContact CD2-CG 3.76Å; W114-P209 HydrophobicContact CE3-CG 4.09Å; W114-P209 HydrophobicContact CG-CG 3.78Å; W114-E211 HydrophobicContact CH2-CB 4.15Å; W114-E211 HydrophobicContact CZ3-CB 4.43Å; W114-M215 HydrophobicContact CH2-CE 4.06Å; W114-M215 HydrophobicContact CZ3-CE 3.57Å; W114-W244 HydrophobicContact CH2-CE3 4.15Å; W114-W244 HydrophobicContact CH2-CH2 4.14Å; W114-W244 AromaticContact CH2-CZ3 3.74Å; W114-W244 HydrophobicContact CH2-CZ3 3.74Å; W114-W244 HydrophobicContact CZ2-CH2 4.1Å; W114-W244 HydrophobicContact CZ2-CZ3 4.06Å; W114-Y277 HydrophobicContact CB-CE1 3.89Å; W114-Y277 HydrophobicContact CB-CE2 4.09Å
115	F	98.8	Very high	98.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-75.3	-34.3	-178.6	-170.5	-155.8	0	0	0	110.9	I105 H109 K112 D113 L117 V118 G119 M215 E247 F248 F251	I105-F115 HydrophobicContact CD1-CD2 4.14Å; I105-F115 HydrophobicContact CD1-CE2 3.96Å; I105-F115 HydrophobicContact CD1-CZ 4.24Å; I105-F115 HydrophobicContact CG1-CZ 4.45Å; I105-F115 HydrophobicContact CG2-CB 4.02Å; I105-F115 HydrophobicContact CG2-CD1 3.43Å; I105-F115 VanDerWaalsContact CG2-CD1 3.43Å; I105-F115 HydrophobicContact CG2-CD2 4.21Å; I105-F115 HydrophobicContact CG2-CE1 3.89Å; I105-F115 HydrophobicContact CG2-CG 3.61Å; I105-F115 HydrophobicContact CG2-CZ 4.46Å; H109-F115 HydrophobicContact CB-CD1 4.08Å; H109-F115 AromaticContact CD2-CD1 3.95Å; H109-F115 AromaticContact CD2-CE1 3.68Å; H109-F115 AromaticContact CG-CD1 3.91Å; H109-F115 AromaticContact NE2-CE1 3.94Å; K112-F115 HydrophobicContact CB-CB 3.8Å; K112-F115 WeakPolarHBondContact O-CB 3.38Å; K112-F115 PolarHBondContact O-N 3.05Å; D113-F115 PolarHBondContact O-N 2.92Å; F115-L117 VanDerWaalsContact C-N 3.33Å; F115-V118 HydrophobicContact CD2-CB 4.34Å; F115-V118 WeakPolarHBondContact O-CB 3.49Å; F115-V118 PolarHBondContact O-N 3.08Å; F115-G119 PolarHBondContact O-N 3.38Å; F115-M215 HydrophobicContact CD2-CE 3.58Å; F115-M215 HydrophobicContact CD2-SD 4.3Å; F115-M215 HydrophobicContact CE2-CE 3.49Å; F115-M215 VanDerWaalsContact CE2-CE 3.49Å; F115-M215 HydrophobicContact CE2-SD 3.59Å; F115-M215 VanDerWaalsContact CE2-SD 3.59Å; F115-M215 HydrophobicContact CZ-CE 4.47Å; F115-M215 HydrophobicContact CZ-SD 4.21Å; F115-E247 HydrophobicContact CE1-CG 4.1Å; F115-E247 HydrophobicContact CZ-CG 4.17Å; F115-F248 HydrophobicContact CE2-CB 3.94Å; F115-F248 AromaticContact CE2-CD2 3.81Å; F115-F248 HydrophobicContact CE2-CD2 3.81Å; F115-F248 HydrophobicContact CE2-CG 4.37Å; F115-F248 HydrophobicContact CZ-CB 4.12Å; F115-F251 HydrophobicContact CE1-CE2 4.32Å; F115-F251 HydrophobicContact CZ-CD2 4.47Å; F115-F251 HydrophobicContact CZ-CE2 4.45Å
116	Q	98.7	Very high	98.3	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.009	16%	0.156	C	C	.	.	H	α-helix	trans	-64.8	-41	173	-56.3	172	26.3	0	0	110.9	A102 I105 R106 H109 K112 D113 G119 L120 Y269 L273	A102-Q116 WeakPolarHBondContact CB-O 3.39Å; I105-Q116 HydrophobicContact CG2-CG 3.97Å; R106-Q116 HydrophobicContact CB-CB 4.45Å; R106-Q116 HydrophobicContact CB-CG 3.79Å; R106-Q116 HydrophobicContact CG-CG 4.42Å; H109-Q116 PolarHBondContact O-NE2 2.86Å; K112-Q116 PolarHBondContact O-N 3.21Å; D113-Q116 WeakPolarHBondContact O-CB 3.41Å; D113-Q116 PolarHBondContact O-N 3.23Å; Q116-G119 PolarHBondContact O-N 3.48Å; Q116-L120 PolarHBondContact O-N 3.42Å; Q116-L120 VanDerWaalsContact O-N 3.11Å; Q116-Y269 PolarHBondContact OE1-OH 3.39Å; Q116-L273 HydrophobicContact CB-CD1 4.2Å
117	L	98.8	Very high	98.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.2	-42.8	171.6	179.7	67	0	0	0	111.8	D113 W114 F115 G119 L120 I121 L273 I274 Y277	D113-L117 PolarHBondContact O-N 3.22Å; D113-L117 VanDerWaalsContact O-N 3.08Å; W114-L117 PolarHBondContact O-N 3.33Å; F115-L117 VanDerWaalsContact C-N 3.33Å; L117-G119 VanDerWaalsContact C-N 3.25Å; L117-G119 PolarHBondContact O-N 2.83Å; L117-L120 HydrophobicContact CD1-CD2 4.25Å; L117-L120 WeakPolarHBondContact O-CA 3.29Å; L117-L120 WeakPolarHBondContact O-CB 3.28Å; L117-L120 PolarHBondContact O-N 2.55Å; L117-I121 HydrophobicContact CD1-CG2 3.75Å; L117-I121 HydrophobicContact CG-CD1 4.44Å; L117-I121 HydrophobicContact CG-CG2 4.24Å; L117-I121 WeakPolarHBondContact O-CG1 3.33Å; L117-I121 PolarHBondContact O-N 3.14Å; L117-L273 HydrophobicContact CB-CB 4.26Å; L117-L273 HydrophobicContact CB-CD1 4.33Å; L117-L273 HydrophobicContact CD1-CB 4.2Å; L117-I274 HydrophobicContact CD1-CG1 3.86Å; L117-Y277 HydrophobicContact CD2-CD2 3.61Å; L117-Y277 HydrophobicContact CD2-CG 3.72Å
118	V	98.9	Very high	98.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-56	-43.4	174.9	167.7	0	0	0	0	110.6	W114 F115 L120 I121 H122 I208 M215 I216 F248	W114-V118 HydrophobicContact CE3-CG2 4.33Å; W114-V118 WeakPolarHBondContact O-CG2 3.36Å; W114-V118 PolarHBondContact O-N 3.49Å; F115-V118 HydrophobicContact CD2-CB 4.34Å; F115-V118 WeakPolarHBondContact O-CB 3.49Å; F115-V118 PolarHBondContact O-N 3.08Å; V118-L120 VanDerWaalsContact C-N 3.3Å; V118-L120 PolarHBondContact O-N 3.36Å; V118-I121 PolarHBondContact O-N 2.98Å; V118-H122 WeakPolarHBondContact O-CB 3.42Å; V118-H122 PolarHBondContact O-N 2.97Å; V118-I208 HydrophobicContact CG2-CG2 4.02Å; V118-M215 HydrophobicContact CG1-CB 4.47Å; V118-M215 HydrophobicContact CG1-CE 4.34Å; V118-I216 HydrophobicContact CG1-CD1 4.47Å; V118-I216 HydrophobicContact CG1-CG1 4.04Å; V118-I216 HydrophobicContact CG2-CD1 4.4Å; V118-F248 HydrophobicContact CG1-CD2 4.06Å; V118-F248 HydrophobicContact CG1-CE2 3.94Å
119	G	98.8	Very high	98.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-52.8	-45.1	170.5	0	0	0	0	0	113.7	F115 Q116 L117 H122	F115-G119 PolarHBondContact O-N 3.38Å; Q116-G119 PolarHBondContact O-N 3.48Å; L117-G119 VanDerWaalsContact C-N 3.25Å; L117-G119 PolarHBondContact O-N 2.83Å; G119-H122 PolarHBondContact O-CE1 2.86Å; G119-H122 PolarHBondContact O-ND1 2.99Å
120	L	98.8	Very high	98.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-68.4	-36.9	-179.9	-174.2	73.4	0	0	0	112.8	I76 A98 F99 A102 Q116 L117 V118 Y270 I274	I76-L120 HydrophobicContact CD1-CD1 4.33Å; I76-L120 HydrophobicContact CD1-CD2 3.57Å; I76-L120 HydrophobicContact CD1-CG 3.65Å; A98-L120 HydrophobicContact CB-CD1 4.39Å; A98-L120 VanDerWaalsContact CB-O 3.25Å; A98-L120 WeakPolarHBondContact CB-O 3.47Å; F99-L120 HydrophobicContact CD1-CD1 3.79Å; F99-L120 HydrophobicContact CD2-CD1 4.22Å; F99-L120 HydrophobicContact CE1-CD1 3.71Å; F99-L120 HydrophobicContact CE2-CD1 4.08Å; F99-L120 HydrophobicContact CG-CD1 4.05Å; F99-L120 HydrophobicContact CZ-CD1 3.84Å; A102-L120 HydrophobicContact CB-CB 3.91Å; A102-L120 HydrophobicContact CB-CD1 4.37Å; Q116-L120 PolarHBondContact O-N 3.42Å; Q116-L120 VanDerWaalsContact O-N 3.11Å; L117-L120 HydrophobicContact CD1-CD2 4.25Å; L117-L120 WeakPolarHBondContact O-CA 3.29Å; L117-L120 WeakPolarHBondContact O-CB 3.28Å; L117-L120 PolarHBondContact O-N 2.55Å; V118-L120 VanDerWaalsContact C-N 3.3Å; V118-L120 PolarHBondContact O-N 3.36Å; L120-Y270 HydrophobicContact CB-CD1 4.26Å; L120-Y270 HydrophobicContact CD1-CD1 4.35Å; L120-Y270 HydrophobicContact CD1-CG 4.27Å; L120-Y270 HydrophobicContact CD2-CD1 3.77Å; L120-Y270 HydrophobicContact CD2-CG 3.87Å; L120-Y270 HydrophobicContact CG-CD1 4.36Å; L120-I274 HydrophobicContact CD2-CD1 4.22Å
121	I	98.8	Very high	98.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-101.9	-15.4	-166.8	72.6	174.5	0	0	0	114.5	M72 I76 L117 V118 D123 V124 L197 M201 I208 I216	M72-I121 HydrophobicContact CE-CB 4.31Å; M72-I121 HydrophobicContact CE-CD1 4.12Å; M72-I121 HydrophobicContact CE-CG2 4Å; M72-I121 HydrophobicContact CG-CG2 3.86Å; M72-I121 HydrophobicContact SD-CB 4.04Å; M72-I121 HydrophobicContact SD-CG2 3.61Å; I76-I121 HydrophobicContact CD1-CG2 4.36Å; L117-I121 HydrophobicContact CD1-CG2 3.75Å; L117-I121 HydrophobicContact CG-CD1 4.44Å; L117-I121 HydrophobicContact CG-CG2 4.24Å; L117-I121 WeakPolarHBondContact O-CG1 3.33Å; L117-I121 PolarHBondContact O-N 3.14Å; V118-I121 PolarHBondContact O-N 2.98Å; I121-D123 PolarHBondContact O-N 3.46Å; I121-V124 HydrophobicContact CB-CG2 4.2Å; I121-V124 WeakPolarHBondContact O-CB 3.41Å; I121-V124 VanDerWaalsContact O-CG2 3.27Å; I121-V124 WeakPolarHBondContact O-CG2 3.38Å; I121-V124 PolarHBondContact O-N 2.93Å; I121-L197 WeakPolarHBondContact O-CD2 3.44Å; I121-M201 HydrophobicContact CD1-SD 3.98Å; I121-I208 HydrophobicContact CD1-CD1 3.5Å; I121-I216 HydrophobicContact CD1-CD1 3.87Å; I121-I216 HydrophobicContact CG1-CD1 3.96Å
122	H	98.8	Very high	98.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-38	-168.6	71	-81	0	0	0	114.4	H97 V118 G119 L197 H219 F248 D252	H97-H122 AromaticContact CD2-CE1 3.95Å; H97-H122 AromaticContact CD2-NE2 3.79Å; H97-H122 AromaticContact NE2-CE1 3.54Å; H97-H122 AromaticContact NE2-NE2 3.22Å; H97-H122 PolarHBondContact NE2-NE2 3.17Å; V118-H122 WeakPolarHBondContact O-CB 3.42Å; V118-H122 PolarHBondContact O-N 2.97Å; G119-H122 PolarHBondContact O-CE1 2.86Å; G119-H122 PolarHBondContact O-ND1 2.99Å; H122-L197 VanDerWaalsContact O-CD2 3.24Å; H122-L197 WeakPolarHBondContact O-CD2 3.37Å; H122-H219 AromaticContact CD2-CD2 3.78Å; H122-H219 AromaticContact CD2-NE2 3.54Å; H122-F248 HydrophobicContact CB-CE1 4.34Å; H122-F248 HydrophobicContact CB-CE2 4.22Å; H122-F248 HydrophobicContact CB-CZ 3.54Å; H122-F248 AromaticContact CD2-CZ 3.8Å; H122-F248 AromaticContact CG-CZ 3.47Å; H122-F248 VanDerWaalsContact CG-CZ 3.47Å; H122-F248 AromaticContact ND1-CZ 3.87Å; H122-D252 IonicContact NE2-OD1 3.99Å; H122-D252 PolarHBondContact NE2-OD1 3.32Å
123	D	98.4	Very high	98.4	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.021	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-0.9	-175.8	-101	-6.8	0	0	0	114.8	N94 H97 I121 G125 K126 H193 H219	N94-D123 WeakPolarHBondContact ND2-CB 3.4Å; N94-D123 PolarHBondContact ND2-OD2 3.16Å; N94-D123 PolarHBondContact OD1-OD2 2.89Å; H97-D123 IonicContact CD2-OD2 2.74Å; H97-D123 PolarHBondContact CD2-OD2 3.25Å; H97-D123 IonicContact NE2-OD2 3.17Å; I121-D123 PolarHBondContact O-N 3.46Å; D123-G125 PolarHBondContact O-N 3.37Å; D123-K126 HydrophobicContact CB-CD 4.11Å; D123-K126 WeakPolarHBondContact O-CB 3.49Å; D123-K126 WeakPolarHBondContact O-CG 3.4Å; D123-K126 PolarHBondContact O-N 2.83Å; D123-K126 WeakPolarHBondContact OD1-CE 3.42Å; D123-K126 IonicContact OD1-NZ 2.71Å; D123-K126 PolarHBondContact OD1-NZ 3.4Å; D123-K126 WeakPolarHBondContact OD2-CE 3.36Å; D123-K126 IonicContact OD2-NZ 2.79Å; D123-K126 PolarHBondContact OD2-NZ 2.89Å; D123-H193 IonicContact OD1-CD2 3.22Å; D123-H193 PolarHBondContact OD1-CD2 2.64Å; D123-H193 VanDerWaalsContact OD1-CD2 3.31Å; D123-H193 IonicContact OD1-NE2 2.61Å; D123-H193 PolarHBondContact OD1-NE2 3.31Å; D123-H219 IonicContact OD1-NE2 2.7Å
124	V	98.6	Very high	98.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-62.9	-22.1	-175.1	179.8	0	0	0	0	112	M72 A75 I76 I121 K126 I127 L197 W284	M72-V124 HydrophobicContact SD-CG1 4.27Å; M72-V124 HydrophobicContact SD-CG2 4.26Å; A75-V124 HydrophobicContact CB-CG1 3.56Å; I76-V124 HydrophobicContact CG1-CG2 3.48Å; I76-V124 VanDerWaalsContact CG1-CG2 3.48Å; I121-V124 HydrophobicContact CB-CG2 4.2Å; I121-V124 WeakPolarHBondContact O-CB 3.41Å; I121-V124 VanDerWaalsContact O-CG2 3.27Å; I121-V124 WeakPolarHBondContact O-CG2 3.38Å; I121-V124 PolarHBondContact O-N 2.93Å; V124-K126 PolarHBondContact O-N 3.44Å; V124-I127 WeakPolarHBondContact O-CB 3.48Å; V124-I127 VanDerWaalsContact O-CG2 3.32Å; V124-I127 WeakPolarHBondContact O-CG2 3.2Å; V124-I127 PolarHBondContact O-N 2.69Å; V124-I127 VanDerWaalsContact O-N 3.1Å; V124-L197 HydrophobicContact CB-CD1 4.32Å; V124-L197 HydrophobicContact CB-CD2 4.49Å; V124-W284 HydrophobicContact CG1-CH2 3.49Å; V124-W284 VanDerWaalsContact CG1-CH2 3.49Å; V124-W284 HydrophobicContact CG1-CZ3 3.52Å
125	G	98.6	Very high	98.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-58.8	-18.1	171.3	0	0	0	0	0	114.2	D123 I127 L128 H193 Y196	D123-G125 PolarHBondContact O-N 3.37Å; G125-I127 PolarHBondContact O-N 3.41Å; G125-I127 VanDerWaalsContact O-N 3.12Å; G125-L128 WeakPolarHBondContact O-CG 3.47Å; G125-L128 PolarHBondContact O-N 3.04Å; G125-H193 VanDerWaalsContact C-CB 3.43Å; G125-Y196 WeakPolarHBondContact O-CD1 3.23Å
126	K	98.8	Very high	98.4	Very high	7 Å²	7	20.8 Å²	20.8	3%	0.03	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-65.3	-10.8	175.1	-63.9	-179.5	172.6	170.8	0	113.9	L79 L82 D84 N94 D123 V124 L128 A129 V138 V139 H193	L79-K126 HydrophobicContact CD2-CB 4.22Å; L82-K126 HydrophobicContact CD2-CB 3.53Å; L82-K126 HydrophobicContact CD2-CD 4.39Å; L82-K126 HydrophobicContact CD2-CG 4.49Å; D84-K126 WeakPolarHBondContact OD2-CE 3.41Å; D84-K126 IonicContact OD2-NZ 3.54Å; D84-K126 PolarHBondContact OD2-NZ 3.43Å; N94-K126 WeakPolarHBondContact OD1-CD 3.46Å; N94-K126 PolarHBondContact OD1-NZ 3.49Å; D123-K126 HydrophobicContact CB-CD 4.11Å; D123-K126 WeakPolarHBondContact O-CB 3.49Å; D123-K126 WeakPolarHBondContact O-CG 3.4Å; D123-K126 PolarHBondContact O-N 2.83Å; D123-K126 WeakPolarHBondContact OD1-CE 3.42Å; D123-K126 IonicContact OD1-NZ 2.71Å; D123-K126 PolarHBondContact OD1-NZ 3.4Å; D123-K126 WeakPolarHBondContact OD2-CE 3.36Å; D123-K126 IonicContact OD2-NZ 2.79Å; D123-K126 PolarHBondContact OD2-NZ 2.89Å; V124-K126 PolarHBondContact O-N 3.44Å; K126-L128 PolarHBondContact O-N 3.3Å; K126-A129 WeakPolarHBondContact O-CB 3.35Å; K126-A129 PolarHBondContact O-N 2.79Å; K126-V138 HydrophobicContact CB-CG1 4.22Å; K126-V138 HydrophobicContact CG-CG1 4.39Å; K126-V139 HydrophobicContact CD-CG1 3.91Å; K126-V139 HydrophobicContact CG-CG1 3.94Å; K126-H193 HydrophobicContact CG-CB 3.82Å
127	I	98.1	Very high	98.4	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.01	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-54.4	-24.1	171	-162.8	167.8	0	0	0	113.1	M70 A75 V124 G125 A129 L130 W131 Y196	M70-I127 HydrophobicContact CE-CD1 3.79Å; M70-I127 HydrophobicContact SD-CD1 3.54Å; M70-I127 VanDerWaalsContact SD-CD1 3.54Å; A75-I127 HydrophobicContact CB-CD1 4.15Å; V124-I127 WeakPolarHBondContact O-CB 3.48Å; V124-I127 VanDerWaalsContact O-CG2 3.32Å; V124-I127 WeakPolarHBondContact O-CG2 3.2Å; V124-I127 PolarHBondContact O-N 2.69Å; V124-I127 VanDerWaalsContact O-N 3.1Å; G125-I127 PolarHBondContact O-N 3.41Å; G125-I127 VanDerWaalsContact O-N 3.12Å; I127-A129 PolarHBondContact O-N 2.82Å; I127-A129 VanDerWaalsContact O-N 3.16Å; I127-L130 HydrophobicContact CG1-CD1 4.33Å; I127-L130 WeakPolarHBondContact O-CA 3.38Å; I127-L130 WeakPolarHBondContact O-CB 3.3Å; I127-L130 PolarHBondContact O-N 3.06Å; I127-W131 HydrophobicContact CD1-CH2 4.11Å; I127-W131 HydrophobicContact CD1-CZ2 3.51Å; I127-W131 HydrophobicContact CG1-CD2 4.49Å; I127-W131 HydrophobicContact CG1-CH2 4.25Å; I127-W131 HydrophobicContact CG1-CZ2 3.71Å; I127-W131 HydrophobicContact CG2-CE3 4.46Å; I127-W131 HydrophobicContact CG2-CH2 3.8Å; I127-W131 HydrophobicContact CG2-CZ2 4.15Å; I127-W131 HydrophobicContact CG2-CZ3 4.01Å; I127-W131 PolarHBondContact O-N 2.88Å; I127-Y196 HydrophobicContact CG2-CE1 3.93Å
128	L	98.6	Very high	98.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-51.4	-36	171.3	-71.2	174.9	0	0	0	112.6	W62 G125 K126 L130 W131 E133 V138 W191 Y196	W62-L128 HydrophobicContact CD2-CD2 3.49Å; W62-L128 VanDerWaalsContact CD2-CD2 3.49Å; W62-L128 HydrophobicContact CE3-CD2 3.53Å; W62-L128 HydrophobicContact CG-CD2 4.15Å; W62-L128 HydrophobicContact CH2-CD2 3.8Å; W62-L128 HydrophobicContact CZ2-CD2 3.76Å; W62-L128 HydrophobicContact CZ3-CD2 3.68Å; G125-L128 WeakPolarHBondContact O-CG 3.47Å; G125-L128 PolarHBondContact O-N 3.04Å; K126-L128 PolarHBondContact O-N 3.3Å; L128-L130 PolarHBondContact O-N 3.12Å; L128-W131 HydrophobicContact CD2-CE3 4.15Å; L128-W131 HydrophobicContact CD2-CZ3 4.47Å; L128-W131 CarbonylContact O-C 3.49Å; L128-W131 WeakPolarHBondContact O-CA 3.24Å; L128-W131 PolarHBondContact O-N 3.05Å; L128-E133 HydrophobicContact CB-CB 4.19Å; L128-E133 HydrophobicContact CB-CG 4.17Å; L128-E133 WeakPolarHBondContact O-CB 3.35Å; L128-E133 PolarHBondContact O-N 3.1Å; L128-V138 HydrophobicContact CB-CB 4.49Å; L128-V138 HydrophobicContact CB-CG1 4.02Å; L128-V138 HydrophobicContact CB-CG2 3.65Å; L128-W191 HydrophobicContact CD1-CZ2 4.38Å; L128-Y196 HydrophobicContact CD1-CD1 3.7Å; L128-Y196 HydrophobicContact CD1-CD2 4.27Å; L128-Y196 HydrophobicContact CD1-CE1 4.38Å; L128-Y196 HydrophobicContact CD1-CG 3.64Å; L128-Y196 HydrophobicContact CD2-CD1 4.19Å; L128-Y196 HydrophobicContact CD2-CD2 4.17Å; L128-Y196 HydrophobicContact CD2-CE1 4.1Å; L128-Y196 HydrophobicContact CD2-CE2 4.07Å; L128-Y196 HydrophobicContact CD2-CG 4.23Å; L128-Y196 HydrophobicContact CG-CD1 3.7Å; L128-Y196 HydrophobicContact CG-CD2 4.46Å; L128-Y196 HydrophobicContact CG-CE1 3.88Å; L128-Y196 HydrophobicContact CG-CG 4.02Å
129	A	98.1	Very high	98.3	Very high	22 Å²	22	20.8 Å²	20.8	18%	0.182	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-67	-24.4	178	0	0	0	0	0	113	L82 K126 I127 W131 E133 Q135 V138	L82-A129 HydrophobicContact CD1-CB 3.76Å; L82-A129 HydrophobicContact CD2-CB 4.25Å; K126-A129 WeakPolarHBondContact O-CB 3.35Å; K126-A129 PolarHBondContact O-N 2.79Å; I127-A129 PolarHBondContact O-N 2.82Å; I127-A129 VanDerWaalsContact O-N 3.16Å; A129-W131 VanDerWaalsContact C-N 3.27Å; A129-E133 WeakPolarHBondContact CA-O 2.91Å; A129-Q135 HydrophobicContact CB-CG 4.33Å; A129-V138 HydrophobicContact CB-CB 4.49Å; A129-V138 HydrophobicContact CB-CG1 4.19Å; A129-V138 HydrophobicContact CB-CG2 4.31Å
130	L	97.6	Very high	98.3	Very high	54 Å²	54	21.1 Å²	21.1	28%	0.283	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-81.8	-9.5	173	-53.2	-177.7	0	0	0	112.2	S78 Q81 L82 I127 L128	S78-L130 VanDerWaalsContact O-CD1 3.29Å; S78-L130 WeakPolarHBondContact O-CD1 3.25Å; Q81-L130 HydrophobicContact CB-CD2 4.13Å; L82-L130 HydrophobicContact CB-CD2 4.37Å; I127-L130 HydrophobicContact CG1-CD1 4.33Å; I127-L130 WeakPolarHBondContact O-CA 3.38Å; I127-L130 WeakPolarHBondContact O-CB 3.3Å; I127-L130 PolarHBondContact O-N 3.06Å; L128-L130 PolarHBondContact O-N 3.12Å
131	W	97.7	Very high	98.3	Very high	42 Å²	42	21.4 Å²	21.4	16%	0.159	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-110.9	38.4	177.1	-57	-25.3	0	0	0	112	W62 H67 M70 I127 L128 A129 E133 Y196 W284	W62-W131 HydrophobicContact CH2-CB 4.14Å; W62-W131 AromaticContact CH2-CE3 3.85Å; W62-W131 HydrophobicContact CH2-CE3 3.85Å; W62-W131 AromaticContact CZ3-CE3 3.54Å; W62-W131 HydrophobicContact CZ3-CE3 3.54Å; W62-W131 AromaticContact CZ3-CZ3 3.95Å; W62-W131 HydrophobicContact CZ3-CZ3 3.95Å; H67-W131 HydrophobicContact CB-CE3 4.47Å; H67-W131 HydrophobicContact CB-CZ3 4.24Å; H67-W131 AromaticContact CD2-CD2 3.22Å; H67-W131 AromaticContact CD2-CE2 3.49Å; H67-W131 VanDerWaalsContact CD2-CE2 3.49Å; H67-W131 AromaticContact CD2-CE3 3.31Å; H67-W131 AromaticContact CD2-CG 3.71Å; H67-W131 AromaticContact CD2-CH2 3.94Å; H67-W131 AromaticContact CD2-CZ2 3.88Å; H67-W131 AromaticContact CD2-CZ3 3.65Å; H67-W131 AromaticContact CG-CE3 3.88Å; H67-W131 AromaticContact NE2-CD1 3.59Å; H67-W131 AromaticContact NE2-CD2 3.32Å; H67-W131 VanDerWaalsContact NE2-CD2 3.32Å; H67-W131 AromaticContact NE2-CE2 3.77Å; H67-W131 AromaticContact NE2-CE3 3.77Å; H67-W131 AromaticContact NE2-CG 3.23Å; H67-W131 AromaticContact NE2-NE1 3.9Å; M70-W131 HydrophobicContact CE-CZ2 3.68Å; I127-W131 HydrophobicContact CD1-CH2 4.11Å; I127-W131 HydrophobicContact CD1-CZ2 3.51Å; I127-W131 HydrophobicContact CG1-CD2 4.49Å; I127-W131 HydrophobicContact CG1-CH2 4.25Å; I127-W131 HydrophobicContact CG1-CZ2 3.71Å; I127-W131 HydrophobicContact CG2-CE3 4.46Å; I127-W131 HydrophobicContact CG2-CH2 3.8Å; I127-W131 HydrophobicContact CG2-CZ2 4.15Å; I127-W131 HydrophobicContact CG2-CZ3 4.01Å; I127-W131 PolarHBondContact O-N 2.88Å; L128-W131 HydrophobicContact CD2-CE3 4.15Å; L128-W131 HydrophobicContact CD2-CZ3 4.47Å; L128-W131 CarbonylContact O-C 3.49Å; L128-W131 WeakPolarHBondContact O-CA 3.24Å; L128-W131 PolarHBondContact O-N 3.05Å; A129-W131 VanDerWaalsContact C-N 3.27Å; W131-E133 PolarHBondContact O-N 2.98Å; W131-E133 VanDerWaalsContact O-N 3.15Å; W131-Y196 WeakPolarHBondContact CZ3-OH 3.29Å; W131-W284 HydrophobicContact CH2-CB 3.59Å; W131-W284 HydrophobicContact CH2-CG 4.39Å; W131-W284 HydrophobicContact CZ3-CB 4.32Å
132	D	95.9	Very high	98.3	Very high	161 Å²	161	21.7 Å²	21.7	86%	0.861	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	11	174	-55.1	-49.8	0	0	0	115.5
133	E	98.4	Very high	98.3	Very high	14 Å²	14	21.7 Å²	21.7	7%	0.065	12%	0.116	C	C	.	.			trans	-72.7	132.9	166.3	-68.9	-69.6	168.8	0	0	109.9	K58 Q61 W62 L128 A129 W131 V138	K58-E133 WeakPolarHBondContact CE-OE2 3.1Å; K58-E133 IonicContact NZ-OE1 3.9Å; K58-E133 PolarHBondContact NZ-OE1 3.44Å; K58-E133 IonicContact NZ-OE2 3.93Å; K58-E133 PolarHBondContact NZ-OE2 3.4Å; Q61-E133 PolarHBondContact NE2-OE1 2.61Å; Q61-E133 VanDerWaalsContact NE2-OE1 3.12Å; W62-E133 HydrophobicContact CZ2-CG 3.65Å; W62-E133 VanDerWaalsContact CZ2-OE1 3.3Å; W62-E133 WeakPolarHBondContact CZ2-OE1 3.29Å; W62-E133 PolarHBondContact NE1-OE1 2.92Å; L128-E133 HydrophobicContact CB-CB 4.19Å; L128-E133 HydrophobicContact CB-CG 4.17Å; L128-E133 WeakPolarHBondContact O-CB 3.35Å; L128-E133 PolarHBondContact O-N 3.1Å; A129-E133 WeakPolarHBondContact CA-O 2.91Å; W131-E133 PolarHBondContact O-N 2.98Å; W131-E133 VanDerWaalsContact O-N 3.15Å; E133-V138 HydrophobicContact CB-CG2 3.53Å
134	P	98.3	Very high	98.3	Very high	55 Å²	55	21.5 Å²	21.5	36%	0.357	12%	0.115	S	C	.	.			trans	-67	143.4	175.5	31	-35.6	0	0	0	109.7	W136 A137	P134-W136 HydrophobicContact CB-CG 4.47Å; P134-W136 HydrophobicContact CG-CD2 4.37Å; P134-W136 HydrophobicContact CG-CZ2 3.95Å; P134-W136 VanDerWaalsContact CG-NE1 3.3Å; P134-W136 PolarHBondContact O-N 3.05Å; P134-W136 VanDerWaalsContact O-N 3.08Å; P134-A137 HydrophobicContact CG-CB 4.08Å; P134-A137 WeakPolarHBondContact O-CA 3.25Å; P134-A137 WeakPolarHBondContact O-CB 3.38Å; P134-A137 PolarHBondContact O-N 3.39Å
135	Q	98.5	Very high	98.3	Very high	30 Å²	30	21.5 Å²	21.5	14%	0.14	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-55.3	-34.2	-174	-72.9	-150.3	28.9	0	0	114.1	V83 A129 A137 V138 V139	V83-Q135 PolarHBondContact O-NE2 3.08Å; V83-Q135 PolarHBondContact O-OE1 3.02Å; A129-Q135 HydrophobicContact CB-CG 4.33Å; Q135-A137 PolarHBondContact O-N 3.33Å; Q135-A137 VanDerWaalsContact O-N 3.07Å; Q135-V138 WeakPolarHBondContact O-CA 3.29Å; Q135-V138 PolarHBondContact O-N 3.31Å; Q135-V139 HydrophobicContact CB-CG2 4Å; Q135-V139 VanDerWaalsContact O-CG2 3.29Å; Q135-V139 WeakPolarHBondContact O-CG2 3.18Å; Q135-V139 PolarHBondContact O-N 3.02Å
136	W	98.6	Very high	98.3	Very high	43 Å²	43	21.6 Å²	21.6	16%	0.163	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-61.3	-18.2	175.9	70.2	-100.9	0	0	0	114.4	T42 V45 M46 N49 Q50 F54 P134	T42-W136 HydrophobicContact CG2-CB 4.26Å; V45-W136 HydrophobicContact CB-CB 4.36Å; V45-W136 HydrophobicContact CB-CG 4.18Å; V45-W136 HydrophobicContact CG1-CB 4.37Å; V45-W136 HydrophobicContact CG1-CD2 3.99Å; V45-W136 HydrophobicContact CG1-CG 3.67Å; M46-W136 HydrophobicContact CB-CB 3.94Å; M46-W136 WeakPolarHBondContact CG-O 3.39Å; N49-W136 HydrophobicContact CB-CE3 4.16Å; N49-W136 HydrophobicContact CB-CH2 3.33Å; N49-W136 HydrophobicContact CB-CZ2 3.87Å; N49-W136 HydrophobicContact CB-CZ3 3.51Å; Q50-W136 HydrophobicContact CG-CE3 4.28Å; Q50-W136 HydrophobicContact CG-CZ3 4.18Å; Q50-W136 PolarHBondContact NE2-O 2.96Å; F54-W136 HydrophobicContact CD1-CZ3 4.27Å; F54-W136 HydrophobicContact CD2-CH2 4.15Å; F54-W136 AromaticContact CE1-CH2 3.9Å; F54-W136 HydrophobicContact CE1-CH2 3.9Å; F54-W136 AromaticContact CE1-CZ3 3.62Å; F54-W136 HydrophobicContact CE1-CZ3 3.62Å; F54-W136 AromaticContact CE2-CH2 3.48Å; F54-W136 HydrophobicContact CE2-CH2 3.48Å; F54-W136 VanDerWaalsContact CE2-CH2 3.48Å; F54-W136 HydrophobicContact CE2-CZ2 4.39Å; F54-W136 HydrophobicContact CE2-CZ3 4.1Å; F54-W136 AromaticContact CZ-CH2 3.33Å; F54-W136 HydrophobicContact CZ-CH2 3.33Å; F54-W136 HydrophobicContact CZ-CZ2 4.34Å; F54-W136 AromaticContact CZ-CZ3 3.52Å; F54-W136 HydrophobicContact CZ-CZ3 3.52Å; P134-W136 HydrophobicContact CB-CG 4.47Å; P134-W136 HydrophobicContact CG-CD2 4.37Å; P134-W136 HydrophobicContact CG-CZ2 3.95Å; P134-W136 VanDerWaalsContact CG-NE1 3.3Å; P134-W136 PolarHBondContact O-N 3.05Å; P134-W136 VanDerWaalsContact O-N 3.08Å
137	A	98.7	Very high	98.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-100.7	11.7	174.7	0	0	0	0	0	112.6	F54 P134 Q135 W191	F54-A137 HydrophobicContact CE1-CB 4.18Å; F54-A137 HydrophobicContact CZ-CB 3.72Å; P134-A137 HydrophobicContact CG-CB 4.08Å; P134-A137 WeakPolarHBondContact O-CA 3.25Å; P134-A137 WeakPolarHBondContact O-CB 3.38Å; P134-A137 PolarHBondContact O-N 3.39Å; Q135-A137 PolarHBondContact O-N 3.33Å; Q135-A137 VanDerWaalsContact O-N 3.07Å; A137-W191 CarbonylContact C-O 3.38Å; A137-W191 VanDerWaalsContact O-CD1 3.25Å
138	V	98.8	Very high	98.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-54.7	-174.1	-179.9	0	0	0	0	111.1	K126 L128 A129 E133 Q135 G192 H193	K126-V138 HydrophobicContact CB-CG1 4.22Å; K126-V138 HydrophobicContact CG-CG1 4.39Å; L128-V138 HydrophobicContact CB-CB 4.49Å; L128-V138 HydrophobicContact CB-CG1 4.02Å; L128-V138 HydrophobicContact CB-CG2 3.65Å; A129-V138 HydrophobicContact CB-CB 4.49Å; A129-V138 HydrophobicContact CB-CG1 4.19Å; A129-V138 HydrophobicContact CB-CG2 4.31Å; E133-V138 HydrophobicContact CB-CG2 3.53Å; Q135-V138 WeakPolarHBondContact O-CA 3.29Å; Q135-V138 PolarHBondContact O-N 3.31Å; V138-G192 CarbonylContact O-C 3.41Å; V138-G192 WeakPolarHBondContact O-CA 3.07Å; V138-H193 PolarHBondContact O-N 3.45Å; V138-H193 PolarHBondContact O-ND1 3.21Å
139	V	98.4	Very high	98.3	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.012	14%	0.135	C	C	.	.	S	Bend	trans	-105.5	173.3	-172.9	-56.7	0	0	0	0	112.1	T42 D84 S86 K126 Q135	T42-V139 HydrophobicContact CG2-CG2 4.4Å; D84-V139 WeakPolarHBondContact OD1-CG2 3.34Å; S86-V139 WeakPolarHBondContact OG-CG2 3.34Å; K126-V139 HydrophobicContact CD-CG1 3.91Å; K126-V139 HydrophobicContact CG-CG1 3.94Å; Q135-V139 HydrophobicContact CB-CG2 4Å; Q135-V139 VanDerWaalsContact O-CG2 3.29Å; Q135-V139 WeakPolarHBondContact O-CG2 3.18Å; Q135-V139 PolarHBondContact O-N 3.02Å
140	G	97.4	Very high	98.2	Very high	7 Å²	7	26.7 Å²	26.7	7%	0.072	13%	0.134	C	C	.	.	S	Bend	trans	94.2	166.6	172.2	0	0	0	0	0	114.6	S86 T142	S86-G140 VanDerWaalsContact OG-CA 3.23Å; S86-G140 WeakPolarHBondContact OG-CA 3.32Å; S86-G140 PolarHBondContact OG-N 2.68Å; S86-G140 VanDerWaalsContact OG-N 3.13Å; G140-T142 PolarHBondContact O-N 3.05Å
141	D	98.6	Very high	98.2	Very high	7 Å²	7	30 Å²	30	4%	0.037	15%	0.152	C	C	.	.			trans	-56.5	132.9	178.4	-69.7	9.1	0	0	0	111.1	R28 Y43 M46 V154 S220 Y222	R28-D141 IonicContact CZ-OD1 2.69Å; R28-D141 IonicContact CZ-OD2 3.68Å; R28-D141 IonicContact NH1-OD1 3.43Å; R28-D141 PolarHBondContact NH1-OD1 2.95Å; R28-D141 IonicContact NH2-OD1 2.79Å; R28-D141 PolarHBondContact NH2-OD1 2.97Å; R28-D141 IonicContact NH2-OD2 3.81Å; R28-D141 PolarHBondContact NH2-OD2 3.22Å; Y43-D141 HydrophobicContact CE1-CB 3.97Å; Y43-D141 PolarHBondContact OH-N 3.16Å; Y43-D141 PolarHBondContact OH-OD1 3.33Å; M46-D141 WeakPolarHBondContact CE-O 3.41Å; D141-V154 VanDerWaalsContact OD2-CG2 3.25Å; D141-V154 WeakPolarHBondContact OD2-CG2 3.42Å; D141-S220 CarbonylContact C-O 3.56Å; D141-S220 VanDerWaalsContact CA-O 3.29Å; D141-S220 WeakPolarHBondContact CA-O 3.49Å; D141-Y222 VanDerWaalsContact OD1-CD2 3.3Å; D141-Y222 WeakPolarHBondContact OD1-CD2 3.15Å; D141-Y222 WeakPolarHBondContact OD2-CB 3.25Å
142	T	98.9	Very high	98.1	Very high	6 Å²	6	29.3 Å²	29.3	4%	0.037	15%	0.154	C	C	.	.			trans	-92.9	156.5	-179.8	59	0	0	0	0	112.4	G140 S190 S220 F221	G140-T142 PolarHBondContact O-N 3.05Å; T142-S190 VanDerWaalsContact CA-OG 3.25Å; T142-S190 WeakPolarHBondContact CA-OG 3.13Å; T142-S190 WeakPolarHBondContact CB-OG 3.48Å; T142-S220 PolarHBondContact N-O 3.42Å; T142-S220 PolarHBondContact OG1-O 2.9Å; T142-F221 WeakPolarHBondContact O-CD1 3.31Å; T142-F221 WeakPolarHBondContact OG1-CA 3.47Å; T142-F221 PolarHBondContact OG1-N 3.23Å
143	F	98.9	Very high	98.3	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.			trans	-148.3	151.7	175.9	56.3	-86	0	0	0	111	M46 H47 Q50 V145 F149 I153 F160 M189 S190	M46-F143 HydrophobicContact CE-CD1 4.32Å; M46-F143 HydrophobicContact CE-CE1 3.84Å; M46-F143 HydrophobicContact CG-CE1 4.27Å; M46-F143 HydrophobicContact SD-CE1 4.38Å; H47-F143 AromaticContact CD2-CE1 3.42Å; H47-F143 VanDerWaalsContact CD2-CE1 3.42Å; H47-F143 WeakPolarHBondContact CD2-CE1 3.45Å; H47-F143 AromaticContact CD2-CZ 3.83Å; H47-F143 AromaticContact NE2-CE1 3.87Å; Q50-F143 HydrophobicContact CB-CE2 4.3Å; Q50-F143 HydrophobicContact CB-CZ 3.72Å; Q50-F143 HydrophobicContact CG-CZ 4.29Å; F143-V145 HydrophobicContact CE2-CG1 4.15Å; F143-V145 PolarHBondContact O-N 3.08Å; F143-F149 AromaticContact CD2-CD1 3.62Å; F143-F149 HydrophobicContact CD2-CD1 3.62Å; F143-F149 AromaticContact CD2-CE1 3.5Å; F143-F149 HydrophobicContact CD2-CE1 3.5Å; F143-F149 AromaticContact CE2-CD1 3.88Å; F143-F149 HydrophobicContact CE2-CD1 3.88Å; F143-F149 AromaticContact CE2-CE1 3.37Å; F143-F149 HydrophobicContact CE2-CE1 3.37Å; F143-F149 HydrophobicContact CE2-CZ 4.07Å; F143-I153 HydrophobicContact CB-CD1 3.81Å; F143-I153 HydrophobicContact CB-CG1 4.17Å; F143-I153 HydrophobicContact CD1-CG2 4.4Å; F143-I153 HydrophobicContact CD2-CD1 4.43Å; F143-I153 HydrophobicContact CG-CD1 4.1Å; F143-F160 HydrophobicContact CD2-CE1 4.42Å; F143-F160 HydrophobicContact CD2-CZ 4.32Å; F143-F160 HydrophobicContact CE1-CZ 4.22Å; F143-F160 AromaticContact CE2-CE1 3.79Å; F143-F160 HydrophobicContact CE2-CE1 3.79Å; F143-F160 AromaticContact CE2-CZ 3.98Å; F143-F160 HydrophobicContact CE2-CZ 3.98Å; F143-F160 AromaticContact CZ-CE1 3.93Å; F143-F160 HydrophobicContact CZ-CE1 3.93Å; F143-F160 AromaticContact CZ-CZ 3.9Å; F143-F160 HydrophobicContact CZ-CZ 3.9Å; F143-M189 CarbonylContact O-C 3.04Å; F143-S190 PolarHBondContact N-OG 2.87Å; F143-S190 WeakPolarHBondContact O-CB 3.2Å; F143-S190 PolarHBondContact O-N 2.93Å; F143-S190 PolarHBondContact O-OG 2.86Å
144	P	98.8	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-61	127.9	172	-28.3	38.7	0	0	0	112.1	V187 L188 M189 F221 Y230 L233	P144-V187 HydrophobicContact CB-CG1 3.62Å; P144-V187 HydrophobicContact CG-CG1 3.87Å; P144-L188 WeakPolarHBondContact CA-O 3.2Å; P144-M189 HydrophobicContact CG-CE 4.28Å; P144-M189 HydrophobicContact CG-SD 4.01Å; P144-F221 HydrophobicContact CG-CE1 4.17Å; P144-F221 HydrophobicContact CG-CZ 3.69Å; P144-Y230 HydrophobicContact CB-CD1 4.34Å; P144-Y230 HydrophobicContact CB-CE1 4.1Å; P144-Y230 HydrophobicContact CG-CD1 3.61Å; P144-Y230 HydrophobicContact CG-CE1 3.68Å; P144-Y230 HydrophobicContact CG-CG 4.03Å; P144-L233 HydrophobicContact CB-CD1 4.16Å; P144-L233 HydrophobicContact CG-CD1 4.02Å
145	V	98.8	Very high	98.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-86.9	159.6	164.8	-64.2	0	0	0	0	109.8	Q50 V52 V55 F143 C147 Y178 L188	Q50-V145 HydrophobicContact CB-CG1 4.45Å; V52-V145 HydrophobicContact CG2-CB 4.23Å; V52-V145 HydrophobicContact CG2-CG2 4.21Å; V55-V145 HydrophobicContact CB-CG2 4.08Å; V55-V145 HydrophobicContact CG1-CG2 4.33Å; V55-V145 HydrophobicContact CG2-CG1 3.95Å; V55-V145 HydrophobicContact CG2-CG2 3.84Å; F143-V145 HydrophobicContact CE2-CG1 4.15Å; F143-V145 PolarHBondContact O-N 3.08Å; V145-C147 VanDerWaalsContact C-N 3.3Å; V145-C147 PolarHBondContact O-N 2.84Å; V145-Y178 VanDerWaalsContact O-CE2 3.22Å; V145-Y178 WeakPolarHBondContact O-CE2 3.29Å; V145-Y178 VanDerWaalsContact O-CZ 3.27Å; V145-Y178 PolarHBondContact O-OH 3.31Å; V145-L188 HydrophobicContact CG2-CB 3.72Å; V145-L188 WeakPolarHBondContact CG2-O 3.39Å; V145-L188 PolarHBondContact N-O 3.17Å
146	G	98.6	Very high	98	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.01	10%	0.103	C	C	.	.	S	Bend	trans	79.5	6.7	174.2	0	0	0	0	0	115.8	G176 I177	G146-G176 CarbonylContact O-C 3.13Å; G146-G176 VanDerWaalsContact O-CA 3.27Å; G146-G176 WeakPolarHBondContact O-CA 3.46Å; G146-I177 PolarHBondContact O-N 3.48Å
147	C	98.6	Very high	97.8	Very high	2 Å²	2	26 Å²	26	1%	0.014	13%	0.134	C	C	.	.	S	Bend	trans	-136.7	175.6	165	67.7	0	0	0	0	110.5	V145 F149 Y171 E174 Y175 Y178	V145-C147 VanDerWaalsContact C-N 3.3Å; V145-C147 PolarHBondContact O-N 2.84Å; C147-F149 PolarHBondContact O-N 3.07Å; C147-Y171 CarbonylContact C-O 3.59Å; C147-Y171 WeakPolarHBondContact CA-O 3.46Å; C147-E174 WeakPolarHBondContact CB-O 3.35Å; C147-Y175 WeakPolarHBondContact CB-O 3.45Å; C147-Y178 HydrophobicContact CB-CD2 3.81Å; C147-Y178 HydrophobicContact CB-CE2 3.94Å
148	K	97.9	Very high	97.7	Very high	99 Å²	99	28.4 Å²	28.4	43%	0.43	15%	0.151	S	C	.	.	P	Polyproline II helix	trans	-60.5	124.8	179.3	-177.5	-174.8	174.1	-163.5	0	110.2	Q150 Y171 T173	K148-Q150 PolarHBondContact O-N 3.27Å; K148-Y171 PolarHBondContact N-O 3.38Å; K148-T173 VanDerWaalsContact CB-O 3.3Å; K148-T173 WeakPolarHBondContact CB-O 3.25Å; K148-T173 PolarHBondContact N-O 3.39Å
149	F	98.1	Very high	97.6	Very high	3 Å²	3	28.5 Å²	28.5	1%	0.013	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-64.6	121.7	171.1	-56.7	-51.9	0	0	0	110.5	F143 C147 I153 R156 F160 E166	F143-F149 AromaticContact CD2-CD1 3.62Å; F143-F149 HydrophobicContact CD2-CD1 3.62Å; F143-F149 AromaticContact CD2-CE1 3.5Å; F143-F149 HydrophobicContact CD2-CE1 3.5Å; F143-F149 AromaticContact CE2-CD1 3.88Å; F143-F149 HydrophobicContact CE2-CD1 3.88Å; F143-F149 AromaticContact CE2-CE1 3.37Å; F143-F149 HydrophobicContact CE2-CE1 3.37Å; F143-F149 HydrophobicContact CE2-CZ 4.07Å; C147-F149 PolarHBondContact O-N 3.07Å; F149-I153 HydrophobicContact CB-CD1 3.73Å; F149-I153 HydrophobicContact CD1-CD1 4.27Å; F149-I153 HydrophobicContact CG-CD1 4.37Å; F149-R156 PolarHBondContact O-NE 2.95Å; F149-R156 PolarHBondContact O-NH2 2.88Å; F149-R156 VanDerWaalsContact O-NH2 3.16Å; F149-F160 HydrophobicContact CB-CD1 4.4Å; F149-F160 HydrophobicContact CB-CE1 4.22Å; F149-F160 HydrophobicContact CB-CZ 4.38Å; F149-F160 HydrophobicContact CD1-CD1 4.35Å; F149-F160 AromaticContact CD1-CE1 3.69Å; F149-F160 HydrophobicContact CD1-CE1 3.69Å; F149-F160 HydrophobicContact CD1-CZ 4.21Å; F149-F160 AromaticContact CD2-CD1 3.14Å; F149-F160 HydrophobicContact CD2-CD1 3.14Å; F149-F160 AromaticContact CD2-CE1 3.36Å; F149-F160 HydrophobicContact CD2-CE1 3.36Å; F149-F160 AromaticContact CD2-CG 3.95Å; F149-F160 HydrophobicContact CD2-CG 3.95Å; F149-F160 HydrophobicContact CD2-CZ 4.3Å; F149-F160 HydrophobicContact CE1-CD1 4.48Å; F149-F160 AromaticContact CE1-CE1 3.82Å; F149-F160 HydrophobicContact CE1-CE1 3.82Å; F149-F160 AromaticContact CE2-CD1 3.32Å; F149-F160 HydrophobicContact CE2-CD1 3.32Å; F149-F160 AromaticContact CE2-CE1 3.5Å; F149-F160 HydrophobicContact CE2-CE1 3.5Å; F149-F160 HydrophobicContact CE2-CG 4.44Å; F149-F160 AromaticContact CG-CD1 3.73Å; F149-F160 HydrophobicContact CG-CD1 3.73Å; F149-F160 AromaticContact CG-CE1 3.47Å; F149-F160 HydrophobicContact CG-CE1 3.47Å; F149-F160 VanDerWaalsContact CG-CE1 3.47Å; F149-F160 HydrophobicContact CG-CG 4.46Å; F149-F160 HydrophobicContact CG-CZ 4.04Å; F149-F160 HydrophobicContact CZ-CD1 4.01Å; F149-F160 AromaticContact CZ-CE1 3.72Å; F149-F160 HydrophobicContact CZ-CE1 3.72Å; F149-E166 WeakPolarHBondContact CD2-OE2 3.48Å; F149-E166 HydrophobicContact CE2-CB 4.4Å
150	Q	97.4	Very high	97.6	Very high	35 Å²	35	28.5 Å²	28.5	16%	0.164	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-84.4	169.4	-178.4	-61.4	-157.1	-19.5	0	0	113.7	K148 S152 I153 R156 D229 Y230 H232	K148-Q150 PolarHBondContact O-N 3.27Å; Q150-S152 PolarHBondContact O-N 3.32Å; Q150-I153 WeakPolarHBondContact O-CG1 3.39Å; Q150-R156 VanDerWaalsContact O-CD 3.29Å; Q150-R156 WeakPolarHBondContact O-CD 3.48Å; Q150-R156 WeakPolarHBondContact O-CG 3.38Å; Q150-D229 HydrophobicContact CB-CB 4.16Å; Q150-D229 VanDerWaalsContact CB-OD2 3.3Å; Q150-D229 WeakPolarHBondContact CB-OD2 3.15Å; Q150-D229 VanDerWaalsContact OE1-CA 3.31Å; Q150-D229 PolarHBondContact OE1-OD1 3.38Å; Q150-Y230 HydrophobicContact CB-CE1 4.28Å; Q150-Y230 HydrophobicContact CB-CE2 3.9Å; Q150-Y230 HydrophobicContact CG-CD1 4.12Å; Q150-Y230 HydrophobicContact CG-CE1 3.69Å; Q150-Y230 HydrophobicContact CG-CE2 4.14Å; Q150-Y230 PolarHBondContact N-OH 3.21Å; Q150-H232 PolarHBondContact NE2-CE1 3.04Å; Q150-H232 PolarHBondContact NE2-ND1 2.47Å
151	D	96.4	Very high	97.5	Very high	124 Å²	124	32.6 Å²	32.6	66%	0.663	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-26.3	-161.7	-61.7	-14.8	0	0	0	113	I153 D229	D151-I153 VanDerWaalsContact C-N 3.3Å; D151-I153 PolarHBondContact O-N 2.76Å; D151-D229 PolarHBondContact N-OD2 2.87Å
152	S	97.1	Very high	97.5	Very high	27 Å²	27	37.4 Å²	37.4	19%	0.189	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-0.6	-179.2	66.3	0	0	0	0	115.2	Q150 V154 P223 D229	Q150-S152 PolarHBondContact O-N 3.32Å; S152-V154 PolarHBondContact O-N 3.47Å; S152-P223 VanDerWaalsContact OG-CA 3.32Å; S152-P223 WeakPolarHBondContact OG-CA 3.47Å; S152-P223 WeakPolarHBondContact OG-CB 3.47Å; S152-D229 WeakPolarHBondContact CB-OD2 3.06Å; S152-D229 PolarHBondContact N-OD2 3.35Å; S152-D229 WeakPolarHBondContact OG-CB 3.38Å; S152-D229 PolarHBondContact OG-OD2 3.45Å
153	I	98.1	Very high	97.5	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.031	19%	0.193	C	C	.	.	S	Bend	trans	-62.8	133.9	170.5	-54.1	172.2	0	0	0	108.5	F143 F149 Q150 D151 F155 R156 F160 P223 Y230	F143-I153 HydrophobicContact CB-CD1 3.81Å; F143-I153 HydrophobicContact CB-CG1 4.17Å; F143-I153 HydrophobicContact CD1-CG2 4.4Å; F143-I153 HydrophobicContact CD2-CD1 4.43Å; F143-I153 HydrophobicContact CG-CD1 4.1Å; F149-I153 HydrophobicContact CB-CD1 3.73Å; F149-I153 HydrophobicContact CD1-CD1 4.27Å; F149-I153 HydrophobicContact CG-CD1 4.37Å; Q150-I153 WeakPolarHBondContact O-CG1 3.39Å; D151-I153 VanDerWaalsContact C-N 3.3Å; D151-I153 PolarHBondContact O-N 2.76Å; I153-F155 PolarHBondContact O-N 3.24Å; I153-R156 HydrophobicContact CB-CB 4.2Å; I153-R156 WeakPolarHBondContact O-CB 3.38Å; I153-R156 PolarHBondContact O-N 3.02Å; I153-F160 HydrophobicContact CB-CE2 4.46Å; I153-F160 HydrophobicContact CD1-CE2 4.21Å; I153-F160 HydrophobicContact CD1-CZ 3.95Å; I153-F160 HydrophobicContact CG2-CE2 3.86Å; I153-F160 HydrophobicContact CG2-CZ 4.07Å; I153-P223 HydrophobicContact CG1-CG 3.99Å; I153-Y230 VanDerWaalsContact CD1-OH 3.26Å; I153-Y230 WeakPolarHBondContact CD1-OH 3.24Å; I153-Y230 HydrophobicContact CG1-CE2 4.49Å
154	V	96.3	Very high	97.4	Very high	13 Å²	13	41.1 Å²	41.1	8%	0.079	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	131.7	176.9	173.1	0	0	0	0	110	F30 Y43 H47 D141 S152 R156	F30-V154 HydrophobicContact CB-CG1 4.45Å; F30-V154 HydrophobicContact CD1-CG1 3.74Å; F30-V154 HydrophobicContact CD2-CG1 4.15Å; F30-V154 HydrophobicContact CD2-CG2 4.06Å; F30-V154 HydrophobicContact CE1-CG1 3.93Å; F30-V154 HydrophobicContact CE2-CG1 4.31Å; F30-V154 HydrophobicContact CE2-CG2 3.7Å; F30-V154 HydrophobicContact CG-CG1 3.86Å; F30-V154 HydrophobicContact CZ-CG1 4.21Å; F30-V154 HydrophobicContact CZ-CG2 3.95Å; Y43-V154 HydrophobicContact CD2-CG1 4.11Å; Y43-V154 HydrophobicContact CE2-CG1 4.16Å; Y43-V154 HydrophobicContact CG-CG1 4.38Å; H47-V154 PolarHBondContact CE1-O 3.23Å; D141-V154 VanDerWaalsContact OD2-CG2 3.25Å; D141-V154 WeakPolarHBondContact OD2-CG2 3.42Å; S152-V154 PolarHBondContact O-N 3.47Å; V154-R156 PolarHBondContact O-N 2.66Å; V154-R156 VanDerWaalsContact O-N 3.08Å
155	F	97.1	Very high	97.4	Very high	33 Å²	33	41.6 Å²	41.6	15%	0.145	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	23.1	-177.1	-50	-52.2	0	0	0	116.4	F30 F36 V39 F40 Y43 I153 D157 S158 T159	F30-F155 HydrophobicContact CB-CE1 3.87Å; F30-F155 HydrophobicContact CB-CZ 3.78Å; F30-F155 HydrophobicContact CD1-CE2 4.21Å; F30-F155 AromaticContact CD1-CZ 3.93Å; F30-F155 HydrophobicContact CD1-CZ 3.93Å; F30-F155 HydrophobicContact CG-CZ 4.26Å; F30-F155 VanDerWaalsContact O-CE1 3.28Å; F30-F155 WeakPolarHBondContact O-CE1 3.29Å; F36-F155 HydrophobicContact CD2-CZ 4.45Å; F36-F155 AromaticContact CE2-CE1 3.82Å; F36-F155 HydrophobicContact CE2-CE1 3.82Å; F36-F155 AromaticContact CE2-CZ 3.81Å; F36-F155 HydrophobicContact CE2-CZ 3.81Å; F36-F155 HydrophobicContact CZ-CE1 4.33Å; F36-F155 HydrophobicContact CZ-CZ 4.46Å; V39-F155 HydrophobicContact CG1-CE2 4.35Å; F40-F155 HydrophobicContact CB-CE2 4.19Å; F40-F155 HydrophobicContact CB-CZ 4.32Å; F40-F155 AromaticContact CD2-CD1 3.86Å; F40-F155 HydrophobicContact CD2-CD1 3.86Å; F40-F155 AromaticContact CD2-CD2 3.81Å; F40-F155 HydrophobicContact CD2-CD2 3.81Å; F40-F155 AromaticContact CD2-CE1 3.89Å; F40-F155 HydrophobicContact CD2-CE1 3.89Å; F40-F155 AromaticContact CD2-CE2 3.87Å; F40-F155 HydrophobicContact CD2-CE2 3.87Å; F40-F155 AromaticContact CD2-CG 3.83Å; F40-F155 HydrophobicContact CD2-CG 3.83Å; F40-F155 AromaticContact CD2-CZ 3.9Å; F40-F155 HydrophobicContact CD2-CZ 3.9Å; F40-F155 HydrophobicContact CE2-CB 4.35Å; F40-F155 HydrophobicContact CE2-CD1 4.11Å; F40-F155 HydrophobicContact CE2-CD2 4.38Å; F40-F155 HydrophobicContact CE2-CG 4.04Å; Y43-F155 HydrophobicContact CD2-CD2 4.18Å; Y43-F155 AromaticContact CD2-CE2 3.96Å; Y43-F155 HydrophobicContact CD2-CE2 3.96Å; Y43-F155 HydrophobicContact CG-CD2 4.18Å; Y43-F155 HydrophobicContact CG-CE2 4.42Å; I153-F155 PolarHBondContact O-N 3.24Å; F155-D157 PolarHBondContact O-N 2.95Å; F155-S158 PolarHBondContact O-N 2.86Å; F155-S158 PolarHBondContact O-OG 3.3Å; F155-T159 HydrophobicContact CB-CG2 3.62Å; F155-T159 HydrophobicContact CG-CG2 4.47Å; F155-T159 PolarHBondContact O-N 3.39Å; F155-T159 PolarHBondContact O-OG1 2.79Å
156	R	95.9	Very high	97.2	Very high	28 Å²	28	44.1 Å²	44.1	11%	0.106	23%	0.233	C	C	.	.	H	α-helix	trans	-45.6	-42.4	-177.9	175.4	59.7	-176	90.1	-10.5	114.5	F149 Q150 I153 V154 S158 E166	F149-R156 PolarHBondContact O-NE 2.95Å; F149-R156 PolarHBondContact O-NH2 2.88Å; F149-R156 VanDerWaalsContact O-NH2 3.16Å; Q150-R156 VanDerWaalsContact O-CD 3.29Å; Q150-R156 WeakPolarHBondContact O-CD 3.48Å; Q150-R156 WeakPolarHBondContact O-CG 3.38Å; I153-R156 HydrophobicContact CB-CB 4.2Å; I153-R156 WeakPolarHBondContact O-CB 3.38Å; I153-R156 PolarHBondContact O-N 3.02Å; V154-R156 PolarHBondContact O-N 2.66Å; V154-R156 VanDerWaalsContact O-N 3.08Å; R156-S158 VanDerWaalsContact C-N 3.29Å; R156-S158 PolarHBondContact O-N 3.4Å; R156-E166 IonicContact CZ-OE1 2.57Å; R156-E166 IonicContact NH1-OE1 3.45Å; R156-E166 PolarHBondContact NH1-OE1 3.14Å; R156-E166 IonicContact NH2-OE1 3.43Å; R156-E166 PolarHBondContact NH2-OE1 2.85Å; R156-E166 IonicContact NH2-OE2 2.71Å; R156-E166 PolarHBondContact NH2-OE2 2.85Å
157	D	94.7	Very high	97	Very high	152 Å²	152	50.9 Å²	50.9	81%	0.813	26%	0.262	S	S	*	.	H	α-helix	trans	-75.2	-13.5	-173.5	-70.8	-22.9	0	0	0	114.3	F155	F155-D157 PolarHBondContact O-N 2.95Å
158	S	96.3	Very high	96.9	Very high	52 Å²	52	52.7 Å²	52.7	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-130.3	0.2	-167.8	60.4	0	0	0	0	115.4	F155 R156 Q161	F155-S158 PolarHBondContact O-N 2.86Å; F155-S158 PolarHBondContact O-OG 3.3Å; R156-S158 VanDerWaalsContact C-N 3.29Å; R156-S158 PolarHBondContact O-N 3.4Å; S158-Q161 PolarHBondContact O-NE2 3.42Å; S158-Q161 PolarHBondContact O-OE1 3.27Å
159	T	97.9	Very high	96.8	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-131.6	-6.3	-169.5	53.8	0	0	0	0	115.6	F40 S44 H47 F155	F40-T159 HydrophobicContact CE2-CG2 3.92Å; F40-T159 HydrophobicContact CZ-CG2 4.03Å; S44-T159 WeakPolarHBondContact OG-CG2 3.34Å; H47-T159 WeakPolarHBondContact CB-O 3.5Å; H47-T159 PolarHBondContact ND1-OG1 3.13Å; F155-T159 HydrophobicContact CB-CG2 3.62Å; F155-T159 HydrophobicContact CG-CG2 4.47Å; F155-T159 PolarHBondContact O-N 3.39Å; F155-T159 PolarHBondContact O-OG1 2.79Å
160	F	97.9	Very high	96.7	Very high	1 Å²	1	59.2 Å²	59.2	0%	0.004	31%	0.31	C	S	.	.	S	Bend	trans	-99.9	-8.3	-178.8	-80.6	-87.7	0	0	0	114.6	H47 F143 F149 I153 D162 N163	H47-F160 HydrophobicContact CB-CD1 4Å; H47-F160 HydrophobicContact CB-CD2 3.87Å; H47-F160 HydrophobicContact CB-CE1 3.83Å; H47-F160 HydrophobicContact CB-CE2 3.7Å; H47-F160 HydrophobicContact CB-CG 4.05Å; H47-F160 HydrophobicContact CB-CZ 3.69Å; H47-F160 AromaticContact CD2-CE2 3.72Å; H47-F160 AromaticContact CD2-CZ 3.45Å; H47-F160 VanDerWaalsContact CD2-CZ 3.45Å; H47-F160 WeakPolarHBondContact CD2-CZ 3.49Å; H47-F160 AromaticContact CE1-CE2 3.97Å; H47-F160 AromaticContact CG-CD2 3.93Å; H47-F160 AromaticContact CG-CE2 3.32Å; H47-F160 AromaticContact CG-CZ 3.43Å; H47-F160 VanDerWaalsContact CG-CZ 3.43Å; H47-F160 AromaticContact ND1-CE2 3.48Å; H47-F160 WeakPolarHBondContact ND1-CE2 3.34Å; F143-F160 HydrophobicContact CD2-CE1 4.42Å; F143-F160 HydrophobicContact CD2-CZ 4.32Å; F143-F160 HydrophobicContact CE1-CZ 4.22Å; F143-F160 AromaticContact CE2-CE1 3.79Å; F143-F160 HydrophobicContact CE2-CE1 3.79Å; F143-F160 AromaticContact CE2-CZ 3.98Å; F143-F160 HydrophobicContact CE2-CZ 3.98Å; F143-F160 AromaticContact CZ-CE1 3.93Å; F143-F160 HydrophobicContact CZ-CE1 3.93Å; F143-F160 AromaticContact CZ-CZ 3.9Å; F143-F160 HydrophobicContact CZ-CZ 3.9Å; F149-F160 HydrophobicContact CB-CD1 4.4Å; F149-F160 HydrophobicContact CB-CE1 4.22Å; F149-F160 HydrophobicContact CB-CZ 4.38Å; F149-F160 HydrophobicContact CD1-CD1 4.35Å; F149-F160 AromaticContact CD1-CE1 3.69Å; F149-F160 HydrophobicContact CD1-CE1 3.69Å; F149-F160 HydrophobicContact CD1-CZ 4.21Å; F149-F160 AromaticContact CD2-CD1 3.14Å; F149-F160 HydrophobicContact CD2-CD1 3.14Å; F149-F160 AromaticContact CD2-CE1 3.36Å; F149-F160 HydrophobicContact CD2-CE1 3.36Å; F149-F160 AromaticContact CD2-CG 3.95Å; F149-F160 HydrophobicContact CD2-CG 3.95Å; F149-F160 HydrophobicContact CD2-CZ 4.3Å; F149-F160 HydrophobicContact CE1-CD1 4.48Å; F149-F160 AromaticContact CE1-CE1 3.82Å; F149-F160 HydrophobicContact CE1-CE1 3.82Å; F149-F160 AromaticContact CE2-CD1 3.32Å; F149-F160 HydrophobicContact CE2-CD1 3.32Å; F149-F160 AromaticContact CE2-CE1 3.5Å; F149-F160 HydrophobicContact CE2-CE1 3.5Å; F149-F160 HydrophobicContact CE2-CG 4.44Å; F149-F160 AromaticContact CG-CD1 3.73Å; F149-F160 HydrophobicContact CG-CD1 3.73Å; F149-F160 AromaticContact CG-CE1 3.47Å; F149-F160 HydrophobicContact CG-CE1 3.47Å; F149-F160 VanDerWaalsContact CG-CE1 3.47Å; F149-F160 HydrophobicContact CG-CG 4.46Å; F149-F160 HydrophobicContact CG-CZ 4.04Å; F149-F160 HydrophobicContact CZ-CD1 4.01Å; F149-F160 AromaticContact CZ-CE1 3.72Å; F149-F160 HydrophobicContact CZ-CE1 3.72Å; I153-F160 HydrophobicContact CB-CE2 4.46Å; I153-F160 HydrophobicContact CD1-CE2 4.21Å; I153-F160 HydrophobicContact CD1-CZ 3.95Å; I153-F160 HydrophobicContact CG2-CE2 3.86Å; I153-F160 HydrophobicContact CG2-CZ 4.07Å; F160-D162 PolarHBondContact O-N 3.07Å; F160-N163 HydrophobicContact CD1-CB 4.37Å; F160-N163 WeakPolarHBondContact O-CB 3.21Å; F160-N163 PolarHBondContact O-N 3.48Å
161	Q	96.2	Very high	96.7	Very high	94 Å²	94	59 Å²	59	44%	0.439	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-26.8	-173.9	56	-86	1.7	0	0	114.8	S158 K167	S158-Q161 PolarHBondContact O-NE2 3.42Å; S158-Q161 PolarHBondContact O-OE1 3.27Å; Q161-K167 WeakPolarHBondContact O-CE 3.37Å; Q161-K167 PolarHBondContact O-NZ 2.97Å
162	D	97.7	Very high	96.5	Very high	108 Å²	108	58.5 Å²	58.5	58%	0.578	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-3.5	-177.9	-64	-38.1	0	0	0	113.1	T48 F160	T48-D162 HydrophobicContact CG2-CB 4.04Å; F160-D162 PolarHBondContact O-N 3.07Å
163	N	98.4	Very high	96.5	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.005	31%	0.311	C	S	.	.			trans	-68.3	124.6	171.8	-168.9	-44.6	0	0	0	109.6	H47 Q50 F160 D165 E166	H47-N163 VanDerWaalsContact O-CB 3.26Å; H47-N163 WeakPolarHBondContact O-CB 3.3Å; H47-N163 PolarHBondContact O-ND2 3.22Å; Q50-N163 PolarHBondContact O-ND2 3.24Å; Q50-N163 VanDerWaalsContact O-ND2 3.12Å; F160-N163 HydrophobicContact CD1-CB 4.37Å; F160-N163 WeakPolarHBondContact O-CB 3.21Å; F160-N163 PolarHBondContact O-N 3.48Å; N163-D165 PolarHBondContact O-N 3.09Å; N163-D165 WeakPolarHBondContact OD1-CA 3.37Å; N163-D165 VanDerWaalsContact OD1-CB 3.3Å; N163-D165 WeakPolarHBondContact OD1-CB 3.39Å; N163-D165 PolarHBondContact OD1-N 3.03Å; N163-E166 HydrophobicContact CB-CB 4.35Å; N163-E166 PolarHBondContact O-N 3.18Å
164	P	97.7	Very high	96.4	Very high	82 Å²	82	65 Å²	65	53%	0.532	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-63.8	-28	179	27	-35.5	0	0	0	113.1	T51 K167 N168	T51-P164 HydrophobicContact CG2-CG 3.63Å; P164-K167 PolarHBondContact O-N 3.46Å; P164-N168 PolarHBondContact O-N 2.93Å
165	D	98.1	Very high	96.5	Very high	11 Å²	11	67.9 Å²	67.9	6%	0.059	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-73.9	-27	-179	-75.1	-6.3	0	0	0	112.9	T51 V52 N163 K167 N168 Y171	T51-D165 VanDerWaalsContact CA-OD2 3.23Å; T51-D165 WeakPolarHBondContact CA-OD2 3.4Å; T51-D165 VanDerWaalsContact CB-OD2 3.27Å; T51-D165 WeakPolarHBondContact CB-OD2 3.37Å; V52-D165 PolarHBondContact N-OD2 3.24Å; N163-D165 PolarHBondContact O-N 3.09Å; N163-D165 WeakPolarHBondContact OD1-CA 3.37Å; N163-D165 VanDerWaalsContact OD1-CB 3.3Å; N163-D165 WeakPolarHBondContact OD1-CB 3.39Å; N163-D165 PolarHBondContact OD1-N 3.03Å; D165-K167 PolarHBondContact O-N 2.78Å; D165-N168 WeakPolarHBondContact O-CB 3.47Å; D165-N168 PolarHBondContact O-N 3.49Å; D165-Y171 HydrophobicContact CB-CD2 3.66Å; D165-Y171 HydrophobicContact CB-CE2 4.35Å; D165-Y171 WeakPolarHBondContact OD1-CD2 3.35Å; D165-Y171 WeakPolarHBondContact OD1-CE2 3.49Å
166	E	95	Very high	96.6	Very high	53 Å²	53	67.4 Å²	67.4	25%	0.248	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-59.6	-31.7	175.6	179.4	68.6	168.5	0	0	111.7	F149 R156 N163	F149-E166 WeakPolarHBondContact CD2-OE2 3.48Å; F149-E166 HydrophobicContact CE2-CB 4.4Å; R156-E166 IonicContact CZ-OE1 2.57Å; R156-E166 IonicContact NH1-OE1 3.45Å; R156-E166 PolarHBondContact NH1-OE1 3.14Å; R156-E166 IonicContact NH2-OE1 3.43Å; R156-E166 PolarHBondContact NH2-OE1 2.85Å; R156-E166 IonicContact NH2-OE2 2.71Å; R156-E166 PolarHBondContact NH2-OE2 2.85Å; N163-E166 HydrophobicContact CB-CB 4.35Å; N163-E166 PolarHBondContact O-N 3.18Å
167	K	93.3	Very high	96.7	Very high	142 Å²	142	69.8 Å²	69.8	62%	0.617	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-96.2	-6.4	179.5	-65.1	168.4	-169.4	153.9	0	112.6	Q161 P164 D165	Q161-K167 WeakPolarHBondContact O-CE 3.37Å; Q161-K167 PolarHBondContact O-NZ 2.97Å; P164-K167 PolarHBondContact O-N 3.46Å; D165-K167 PolarHBondContact O-N 2.78Å
168	N	96.4	Very high	96.9	Very high	40 Å²	40	63.6 Å²	63.6	21%	0.214	33%	0.325	C	S	.	.			trans	-75.1	121.4	-175.9	-170.6	-31	0	0	0	110.7	P164 D165 K170 Y171 K172	P164-N168 PolarHBondContact O-N 2.93Å; D165-N168 WeakPolarHBondContact O-CB 3.47Å; D165-N168 PolarHBondContact O-N 3.49Å; N168-K170 PolarHBondContact O-N 3.01Å; N168-K170 VanDerWaalsContact O-N 3.1Å; N168-K170 WeakPolarHBondContact OD1-CB 3.38Å; N168-K170 PolarHBondContact OD1-N 3.21Å; N168-Y171 HydrophobicContact CB-CD2 3.58Å; N168-Y171 HydrophobicContact CB-CE2 4.16Å; N168-Y171 HydrophobicContact CB-CG 4.16Å; N168-Y171 WeakPolarHBondContact ND2-CD2 3.26Å; N168-Y171 WeakPolarHBondContact ND2-CE2 2.77Å; N168-Y171 PolarHBondContact O-N 3.47Å; N168-K172 WeakPolarHBondContact O-CB 3.43Å; N168-K172 WeakPolarHBondContact O-CG 3.27Å; N168-K172 PolarHBondContact O-N 3.01Å
169	P	96.6	Very high	97	Very high	94 Å²	94	67.9 Å²	67.9	61%	0.61	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.7	-178.1	25.9	-35.1	0	0	0	114.2
170	K	96.2	Very high	97	Very high	146 Å²	146	71 Å²	71	64%	0.635	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-28.2	175.6	-64.9	-178.8	179.1	178.3	0	113	N168 G176	N168-K170 PolarHBondContact O-N 3.01Å; N168-K170 VanDerWaalsContact O-N 3.1Å; N168-K170 WeakPolarHBondContact OD1-CB 3.38Å; N168-K170 PolarHBondContact OD1-N 3.21Å; K170-G176 CarbonylContact O-C 2.91Å; K170-G176 VanDerWaalsContact O-CA 3.27Å; K170-G176 WeakPolarHBondContact O-CA 3.45Å
171	Y	97.1	Very high	97.1	Very high	29 Å²	29	75.4 Å²	75.4	11%	0.114	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-26.3	-169	-49.2	-30.8	0	0	0	112.2	V52 C147 K148 D165 N168 T173 I177	V52-Y171 HydrophobicContact CB-CE2 4.28Å; V52-Y171 HydrophobicContact CG2-CD1 4.5Å; V52-Y171 HydrophobicContact CG2-CD2 4.25Å; V52-Y171 HydrophobicContact CG2-CE1 4.26Å; V52-Y171 HydrophobicContact CG2-CE2 3.93Å; C147-Y171 CarbonylContact C-O 3.59Å; C147-Y171 WeakPolarHBondContact CA-O 3.46Å; K148-Y171 PolarHBondContact N-O 3.38Å; D165-Y171 HydrophobicContact CB-CD2 3.66Å; D165-Y171 HydrophobicContact CB-CE2 4.35Å; D165-Y171 WeakPolarHBondContact OD1-CD2 3.35Å; D165-Y171 WeakPolarHBondContact OD1-CE2 3.49Å; N168-Y171 HydrophobicContact CB-CD2 3.58Å; N168-Y171 HydrophobicContact CB-CE2 4.16Å; N168-Y171 HydrophobicContact CB-CG 4.16Å; N168-Y171 WeakPolarHBondContact ND2-CD2 3.26Å; N168-Y171 WeakPolarHBondContact ND2-CE2 2.77Å; N168-Y171 PolarHBondContact O-N 3.47Å; Y171-T173 PolarHBondContact O-N 3.15Å; Y171-I177 HydrophobicContact CD1-CG2 3.6Å; Y171-I177 HydrophobicContact CE1-CG2 3.48Å; Y171-I177 VanDerWaalsContact CE1-CG2 3.48Å
172	K	92.5	Very high	97.2	Very high	115 Å²	115	71.6 Å²	71.6	50%	0.5	37%	0.367	S	S	.	.	S	Bend	trans	-68.7	-3.3	-176.4	74.1	-177.9	-170.7	178	0	116.2	N168	N168-K172 WeakPolarHBondContact O-CB 3.43Å; N168-K172 WeakPolarHBondContact O-CG 3.27Å; N168-K172 PolarHBondContact O-N 3.01Å
173	T	96.6	Very high	97.2	Very high	70 Å²	70	66.5 Å²	66.5	43%	0.429	34%	0.34	S	S	.	.	S	Bend	trans	-86.3	160.8	176.5	63.3	0	0	0	0	110.1	K148 Y171 Y175 G176	K148-T173 VanDerWaalsContact CB-O 3.3Å; K148-T173 WeakPolarHBondContact CB-O 3.25Å; K148-T173 PolarHBondContact N-O 3.39Å; Y171-T173 PolarHBondContact O-N 3.15Å; T173-Y175 VanDerWaalsContact C-N 3.26Å; T173-Y175 PolarHBondContact O-N 3.17Å; T173-G176 PolarHBondContact O-N 3.44Å; T173-G176 VanDerWaalsContact OG1-CA 3.26Å; T173-G176 WeakPolarHBondContact OG1-CA 3.32Å; T173-G176 PolarHBondContact OG1-N 2.96Å
174	E	97.1	Very high	97.3	Very high	100 Å²	100	66.4 Å²	66.4	47%	0.467	34%	0.339	S	S	.	.	S	Bend	trans	-48.6	-48.8	-179.5	-179.5	174.4	-158.6	0	0	112.2	C147 H232	C147-E174 WeakPolarHBondContact CB-O 3.35Å; E174-H232 PolarHBondContact O-NE2 3.09Å
175	Y	98.3	Very high	97.3	Very high	73 Å²	73	65.7 Å²	65.7	29%	0.286	33%	0.331	S	S	.	.	S	Bend	trans	-91.4	-23	-180	-61.6	-83.9	0	0	0	113.7	C147 T173 I177 Y178 P180 H232 L233	C147-Y175 WeakPolarHBondContact CB-O 3.45Å; T173-Y175 VanDerWaalsContact C-N 3.26Å; T173-Y175 PolarHBondContact O-N 3.17Å; Y175-I177 PolarHBondContact O-N 3.08Å; Y175-I177 VanDerWaalsContact O-N 3.07Å; Y175-Y178 WeakPolarHBondContact CB-O 3.35Å; Y175-Y178 WeakPolarHBondContact O-CB 3.27Å; Y175-Y178 VanDerWaalsContact O-CD2 3.31Å; Y175-Y178 WeakPolarHBondContact O-CD2 3.48Å; Y175-Y178 PolarHBondContact O-N 3.43Å; Y175-P180 HydrophobicContact CD1-CB 4.2Å; Y175-P180 HydrophobicContact CD1-CG 4Å; Y175-P180 VanDerWaalsContact CE1-CA 3.47Å; Y175-P180 HydrophobicContact CE1-CB 3.61Å; Y175-P180 HydrophobicContact CE1-CG 3.74Å; Y175-H232 AromaticContact CD1-CD2 3.8Å; Y175-H232 HydrophobicContact CE1-CB 3.99Å; Y175-H232 AromaticContact CE1-CD2 3.64Å; Y175-L233 HydrophobicContact CD1-CD2 4.33Å
176	G	98.4	Very high	97.3	Very high	22 Å²	22	71.7 Å²	71.7	23%	0.227	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	-114.1	-175.6	0	0	0	0	0	112.7	G146 K170 T173	G146-G176 CarbonylContact O-C 3.13Å; G146-G176 VanDerWaalsContact O-CA 3.27Å; G146-G176 WeakPolarHBondContact O-CA 3.46Å; K170-G176 CarbonylContact O-C 2.91Å; K170-G176 VanDerWaalsContact O-CA 3.27Å; K170-G176 WeakPolarHBondContact O-CA 3.45Å; T173-G176 PolarHBondContact O-N 3.44Å; T173-G176 VanDerWaalsContact OG1-CA 3.26Å; T173-G176 WeakPolarHBondContact OG1-CA 3.32Å; T173-G176 PolarHBondContact OG1-N 2.96Å
177	I	98.4	Very high	97.5	Very high	79 Å²	79	69.4 Å²	69.4	41%	0.405	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-4.5	176.7	67	178.9	0	0	0	114.8	G146 Y171 Y175 L188	G146-I177 PolarHBondContact O-N 3.48Å; Y171-I177 HydrophobicContact CD1-CG2 3.6Å; Y171-I177 HydrophobicContact CE1-CG2 3.48Å; Y171-I177 VanDerWaalsContact CE1-CG2 3.48Å; Y175-I177 PolarHBondContact O-N 3.08Å; Y175-I177 VanDerWaalsContact O-N 3.07Å; I177-L188 HydrophobicContact CD1-CD1 4.48Å
178	Y	98.8	Very high	97.7	Very high	21 Å²	21	64.5 Å²	64.5	8%	0.082	33%	0.326	C	S	.	.	S	Bend	trans	-95.1	154.4	-173	-55.4	-63.7	0	0	0	112.6	V145 C147 Y175 V187 L188 L233	V145-Y178 VanDerWaalsContact O-CE2 3.22Å; V145-Y178 WeakPolarHBondContact O-CE2 3.29Å; V145-Y178 VanDerWaalsContact O-CZ 3.27Å; V145-Y178 PolarHBondContact O-OH 3.31Å; C147-Y178 HydrophobicContact CB-CD2 3.81Å; C147-Y178 HydrophobicContact CB-CE2 3.94Å; Y175-Y178 WeakPolarHBondContact CB-O 3.35Å; Y175-Y178 WeakPolarHBondContact O-CB 3.27Å; Y175-Y178 VanDerWaalsContact O-CD2 3.31Å; Y175-Y178 WeakPolarHBondContact O-CD2 3.48Å; Y175-Y178 PolarHBondContact O-N 3.43Å; Y178-V187 HydrophobicContact CD1-CG2 4.41Å; Y178-V187 HydrophobicContact CE1-CB 4.33Å; Y178-V187 HydrophobicContact CE1-CG1 4.25Å; Y178-V187 HydrophobicContact CE1-CG2 4.42Å; Y178-V187 HydrophobicContact CE2-CG1 4.2Å; Y178-L188 WeakPolarHBondContact OH-CB 3.3Å; Y178-L188 PolarHBondContact OH-N 3.41Å; Y178-L188 PolarHBondContact OH-O 2.92Å; Y178-L233 HydrophobicContact CD2-CD1 4.29Å; Y178-L233 HydrophobicContact CD2-CD2 4.07Å; Y178-L233 HydrophobicContact CG-CD2 4.19Å
179	E	98.5	Very high	97.8	Very high	143 Å²	143	62.9 Å²	62.9	67%	0.668	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-84.6	151.4	165.7	-65.7	-63.3	157.8	0	0	110.1	N181 C182	E179-N181 PolarHBondContact O-N 2.97Å; E179-C182 HydrophobicContact CB-CB 4.24Å; E179-C182 VanDerWaalsContact O-CB 3.27Å; E179-C182 WeakPolarHBondContact O-CB 3.38Å; E179-C182 PolarHBondContact O-N 3.15Å; E179-C182 PolarHBondContact O-SG 3.25Å; E179-C182 VanDerWaalsContact O-SG 3.4Å
180	P	98.6	Very high	98	Very high	67 Å²	67	58.5 Å²	58.5	44%	0.435	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	134.7	172.9	-23.2	33	0	0	0	112.3	Y175 C182	Y175-P180 HydrophobicContact CD1-CB 4.2Å; Y175-P180 HydrophobicContact CD1-CG 4Å; Y175-P180 VanDerWaalsContact CE1-CA 3.47Å; Y175-P180 HydrophobicContact CE1-CB 3.61Å; Y175-P180 HydrophobicContact CE1-CG 3.74Å; P180-C182 PolarHBondContact O-N 3.4Å; P180-C182 VanDerWaalsContact O-N 3.13Å
181	N	98.5	Very high	98.1	Very high	93 Å²	93	51.6 Å²	51.6	50%	0.497	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	34.4	179	-53.2	106.4	0	0	0	113.5	E179 G183 H232 L233 C234	E179-N181 PolarHBondContact O-N 2.97Å; N181-G183 PolarHBondContact O-N 3.12Å; N181-H232 PolarHBondContact N-O 2.88Å; N181-L233 CarbonylContact C-O 3.6Å; N181-C234 WeakPolarHBondContact CA-O 3.47Å; N181-C234 WeakPolarHBondContact CB-O 3.25Å; N181-C234 PolarHBondContact ND2-O 3.46Å
182	C	98.7	Very high	98.2	Very high	15 Å²	15	50.4 Å²	50.4	10%	0.101	26%	0.256	C	S	.	.			trans	-62.6	-24.1	-175.6	58.2	0	0	0	0	113.7	E179 P180 K186 L233	E179-C182 HydrophobicContact CB-CB 4.24Å; E179-C182 VanDerWaalsContact O-CB 3.27Å; E179-C182 WeakPolarHBondContact O-CB 3.38Å; E179-C182 PolarHBondContact O-N 3.15Å; E179-C182 PolarHBondContact O-SG 3.25Å; E179-C182 VanDerWaalsContact O-SG 3.4Å; P180-C182 PolarHBondContact O-N 3.4Å; P180-C182 VanDerWaalsContact O-N 3.13Å; C182-K186 WeakPolarHBondContact O-CD 3.32Å; C182-K186 WeakPolarHBondContact O-CE 3.19Å; C182-K186 PolarHBondContact O-NZ 3.19Å; C182-L233 PolarHBondContact N-O 3.3Å
183	G	98.8	Very high	98.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.			trans	100	135.3	-173.5	0	0	0	0	0	111.5	N181 D185 K186 L233 N235 D238	N181-G183 PolarHBondContact O-N 3.12Å; G183-D185 PolarHBondContact O-N 2.73Å; G183-D185 VanDerWaalsContact O-N 3.11Å; G183-K186 PolarHBondContact O-N 3.22Å; G183-L233 WeakPolarHBondContact CA-O 3.47Å; G183-L233 PolarHBondContact N-O 2.68Å; G183-N235 WeakPolarHBondContact CA-ND2 3.33Å; G183-D238 VanDerWaalsContact CA-OD2 3.32Å; G183-D238 WeakPolarHBondContact CA-OD2 3.47Å
184	L	98.8	Very high	98.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-60.3	-23.3	179	-65.1	-173.5	0	0	0	112.4	K186 V187 F218 F221 W224 L233 D238	L184-K186 PolarHBondContact O-N 3.41Å; L184-V187 HydrophobicContact CD2-CG2 4.22Å; L184-V187 PolarHBondContact O-N 3.48Å; L184-V187 VanDerWaalsContact O-N 3.17Å; L184-F218 HydrophobicContact CB-CE1 3.92Å; L184-F218 HydrophobicContact CB-CE2 4.28Å; L184-F218 HydrophobicContact CB-CZ 3.68Å; L184-F221 HydrophobicContact CD1-CD2 4.08Å; L184-F221 HydrophobicContact CD1-CE2 3.92Å; L184-F221 HydrophobicContact CD2-CE2 3.89Å; L184-W224 HydrophobicContact CD1-CD2 3.78Å; L184-W224 HydrophobicContact CD1-CE3 3.97Å; L184-W224 HydrophobicContact CD1-CG 4.31Å; L184-W224 HydrophobicContact CD1-CH2 4.21Å; L184-W224 HydrophobicContact CD1-CZ2 4Å; L184-W224 HydrophobicContact CD1-CZ3 4.17Å; L184-L233 HydrophobicContact CD2-CB 4.29Å; L184-D238 HydrophobicContact CD1-CB 4.3Å; L184-D238 HydrophobicContact CG-CB 4.25Å; L184-D238 PolarHBondContact N-OD2 3.12Å
185	D	98	Very high	98.7	Very high	66 Å²	66	37.5 Å²	37.5	35%	0.353	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-62.8	-21.6	174.4	68.6	-65.2	0	0	0	114.2	G183	G183-D185 PolarHBondContact O-N 2.73Å; G183-D185 VanDerWaalsContact O-N 3.11Å
186	K	98.6	Very high	98.7	Very high	137 Å²	137	34 Å²	34	60%	0.596	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-103.2	-1.8	178	-57.1	-175.4	-165	136.2	0	113.8	C182 G183 L184	C182-K186 WeakPolarHBondContact O-CD 3.32Å; C182-K186 WeakPolarHBondContact O-CE 3.19Å; C182-K186 PolarHBondContact O-NZ 3.19Å; G183-K186 PolarHBondContact O-N 3.22Å; L184-K186 PolarHBondContact O-N 3.41Å
187	V	98.8	Very high	98.7	Very high	5 Å²	5	33 Å²	33	3%	0.03	17%	0.168	C	C	.	.	S	Bend	trans	-85	136.9	178.1	177	0	0	0	0	109.3	P144 Y178 L184 M189 L233	P144-V187 HydrophobicContact CB-CG1 3.62Å; P144-V187 HydrophobicContact CG-CG1 3.87Å; Y178-V187 HydrophobicContact CD1-CG2 4.41Å; Y178-V187 HydrophobicContact CE1-CB 4.33Å; Y178-V187 HydrophobicContact CE1-CG1 4.25Å; Y178-V187 HydrophobicContact CE1-CG2 4.42Å; Y178-V187 HydrophobicContact CE2-CG1 4.2Å; L184-V187 HydrophobicContact CD2-CG2 4.22Å; L184-V187 PolarHBondContact O-N 3.48Å; L184-V187 VanDerWaalsContact O-N 3.17Å; V187-M189 HydrophobicContact CB-SD 4.41Å; V187-M189 HydrophobicContact CG1-SD 3.78Å; V187-M189 PolarHBondContact O-N 3.04Å; V187-L233 HydrophobicContact CG1-CD1 4.27Å; V187-L233 HydrophobicContact CG2-CB 4.11Å; V187-L233 HydrophobicContact CG2-CD1 4.03Å
188	L	98.7	Very high	98.7	Very high	39 Å²	39	31.2 Å²	31.2	20%	0.204	16%	0.157	C	C	.	.			trans	-81.9	109.1	167.6	-66.6	173.7	0	0	0	108	V52 V55 Q56 P144 V145 I177 Y178	V52-L188 HydrophobicContact CG1-CD1 4.41Å; V55-L188 HydrophobicContact CG1-CB 4.3Å; V55-L188 HydrophobicContact CG1-CD2 4.42Å; Q56-L188 HydrophobicContact CG-CD1 4.12Å; P144-L188 WeakPolarHBondContact CA-O 3.2Å; V145-L188 HydrophobicContact CG2-CB 3.72Å; V145-L188 WeakPolarHBondContact CG2-O 3.39Å; V145-L188 PolarHBondContact N-O 3.17Å; I177-L188 HydrophobicContact CD1-CD1 4.48Å; Y178-L188 WeakPolarHBondContact OH-CB 3.3Å; Y178-L188 PolarHBondContact OH-N 3.41Å; Y178-L188 PolarHBondContact OH-O 2.92Å
189	M	98.9	Very high	98.7	Very high	7 Å²	7	34.3 Å²	34.3	3%	0.034	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-81	151.4	171.8	-57	-56	-67.3	0	0	109.6	V55 F143 P144 V187 W191 F218 F221	V55-M189 VanDerWaalsContact CG1-O 3.28Å; V55-M189 WeakPolarHBondContact CG1-O 3.32Å; F143-M189 CarbonylContact O-C 3.04Å; P144-M189 HydrophobicContact CG-CE 4.28Å; P144-M189 HydrophobicContact CG-SD 4.01Å; V187-M189 HydrophobicContact CB-SD 4.41Å; V187-M189 HydrophobicContact CG1-SD 3.78Å; V187-M189 PolarHBondContact O-N 3.04Å; M189-W191 PolarHBondContact O-N 3.39Å; M189-F218 HydrophobicContact CG-CE1 4.1Å; M189-F218 HydrophobicContact SD-CE1 4.45Å; M189-F221 HydrophobicContact CE-CB 4.16Å; M189-F221 HydrophobicContact CE-CD1 3.59Å; M189-F221 HydrophobicContact CE-CD2 3.6Å; M189-F221 HydrophobicContact CE-CE1 3.81Å; M189-F221 HydrophobicContact CE-CE2 3.79Å; M189-F221 HydrophobicContact CE-CG 3.5Å; M189-F221 HydrophobicContact CE-CZ 3.88Å; M189-F221 HydrophobicContact SD-CD2 4.5Å; M189-F221 HydrophobicContact SD-CE2 4.35Å
190	S	98.9	Very high	98.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-47.1	131.9	163.9	57.6	0	0	0	0	109.5	T142 F143	T142-S190 VanDerWaalsContact CA-OG 3.25Å; T142-S190 WeakPolarHBondContact CA-OG 3.13Å; T142-S190 WeakPolarHBondContact CB-OG 3.48Å; F143-S190 PolarHBondContact N-OG 2.87Å; F143-S190 WeakPolarHBondContact O-CB 3.2Å; F143-S190 PolarHBondContact O-N 2.93Å; F143-S190 PolarHBondContact O-OG 2.86Å
191	W	98.9	Very high	98.7	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	12%	0.116	C	C	.	.	S	Bend	trans	-70.9	135.8	-171.3	176.9	-94.4	0	0	0	111.3	Q50 F54 V55 K58 H59 W62 T63 L128 A137 M189 E195 Y196	Q50-W191 PolarHBondContact NE2-O 3.42Å; F54-W191 HydrophobicContact CE1-CB 4.28Å; V55-W191 HydrophobicContact CG2-CB 4.21Å; K58-W191 HydrophobicContact CB-CB 4.03Å; K58-W191 HydrophobicContact CB-CD2 3.38Å; K58-W191 HydrophobicContact CB-CE3 3.94Å; K58-W191 HydrophobicContact CB-CG 3.38Å; K58-W191 HydrophobicContact CB-CZ2 4.43Å; K58-W191 HydrophobicContact CG-CB 4.25Å; K58-W191 HydrophobicContact CG-CD2 4.28Å; K58-W191 HydrophobicContact CG-CG 3.78Å; H59-W191 AromaticContact CD2-CE3 3.6Å; H59-W191 AromaticContact CD2-CZ3 3.72Å; H59-W191 AromaticContact CG-CZ3 3.89Å; H59-W191 AromaticContact NE2-CE3 3.88Å; H59-W191 AromaticContact NE2-CZ3 3.95Å; W62-W191 HydrophobicContact CB-CH2 3.65Å; W62-W191 HydrophobicContact CB-CZ2 3.39Å; W62-W191 AromaticContact CD1-CE2 3.87Å; W62-W191 AromaticContact CD1-CZ2 3.55Å; W62-W191 AromaticContact CD1-NE1 3.9Å; W62-W191 HydrophobicContact CG-CH2 4.4Å; W62-W191 AromaticContact CG-CZ2 3.68Å; W62-W191 HydrophobicContact CG-CZ2 3.68Å; T63-W191 HydrophobicContact CG2-CH2 4.43Å; L128-W191 HydrophobicContact CD1-CZ2 4.38Å; A137-W191 CarbonylContact C-O 3.38Å; A137-W191 VanDerWaalsContact O-CD1 3.25Å; M189-W191 PolarHBondContact O-N 3.39Å; W191-E195 HydrophobicContact CE3-CG 4.29Å; W191-E195 HydrophobicContact CZ3-CB 4.5Å; W191-E195 HydrophobicContact CZ3-CG 3.95Å; W191-Y196 HydrophobicContact CH2-CD2 4.43Å; W191-Y196 HydrophobicContact CZ2-CD2 4.18Å; W191-Y196 HydrophobicContact CZ2-CG 4.36Å
192	G	98.8	Very high	98.8	Very high	4 Å²	4	25.1 Å²	25.1	4%	0.041	12%	0.115	C	C	.	.	S	Bend	trans	-176.8	-166.5	178.9	0	0	0	0	0	112.8	V138 D194 Y196	V138-G192 CarbonylContact O-C 3.41Å; V138-G192 WeakPolarHBondContact O-CA 3.07Å; G192-D194 VanDerWaalsContact C-N 3.35Å; G192-D194 PolarHBondContact O-N 2.71Å; G192-Y196 WeakPolarHBondContact O-CB 3.48Å; G192-Y196 PolarHBondContact O-N 3.17Å
193	H	98.8	Very high	98.7	Very high	3 Å²	3	28.5 Å²	28.5	1%	0.014	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-36.9	-175	63.9	-68.3	0	0	0	113.9	D123 G125 K126 V138 L197 H219 S220	D123-H193 IonicContact OD1-CD2 3.22Å; D123-H193 PolarHBondContact OD1-CD2 2.64Å; D123-H193 VanDerWaalsContact OD1-CD2 3.31Å; D123-H193 IonicContact OD1-NE2 2.61Å; D123-H193 PolarHBondContact OD1-NE2 3.31Å; G125-H193 VanDerWaalsContact C-CB 3.43Å; K126-H193 HydrophobicContact CG-CB 3.82Å; V138-H193 PolarHBondContact O-N 3.45Å; V138-H193 PolarHBondContact O-ND1 3.21Å; H193-L197 VanDerWaalsContact O-CB 3.25Å; H193-L197 WeakPolarHBondContact O-CB 3.5Å; H193-L197 PolarHBondContact O-N 3.39Å; H193-H219 AromaticContact CD2-CE1 3.6Å; H193-H219 AromaticContact CD2-NE2 3.67Å; H193-H219 AromaticContact NE2-CE1 3.4Å; H193-H219 PolarHBondContact NE2-CE1 3.36Å; H193-H219 AromaticContact NE2-NE2 3.15Å; H193-H219 PolarHBondContact NE2-NE2 3.26Å; H193-H219 VanDerWaalsContact NE2-NE2 3.15Å; H193-S220 PolarHBondContact CE1-OG 2.97Å; H193-S220 PolarHBondContact NE2-OG 3.18Å
194	D	98.9	Very high	98.7	Very high	4 Å²	4	30 Å²	30	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-54.1	-62.2	177.2	-68.6	52.1	0	0	0	112.8	G192 Y198 I216 R217 H219 S220	G192-D194 VanDerWaalsContact C-N 3.35Å; G192-D194 PolarHBondContact O-N 2.71Å; D194-Y198 WeakPolarHBondContact O-CB 3.35Å; D194-Y198 PolarHBondContact O-N 3.41Å; D194-I216 WeakPolarHBondContact CA-O 3.39Å; D194-I216 WeakPolarHBondContact CB-O 3.47Å; D194-R217 WeakPolarHBondContact CB-O 3.43Å; D194-H219 VanDerWaalsContact CG-CE1 3.43Å; D194-H219 IonicContact OD1-CE1 2.67Å; D194-H219 PolarHBondContact OD1-CE1 2.71Å; D194-H219 VanDerWaalsContact OD1-CE1 3.25Å; D194-H219 IonicContact OD1-ND1 3.81Å; D194-H219 IonicContact OD1-NE2 3.21Å; D194-H219 IonicContact OD2-CE1 2.87Å; D194-H219 IonicContact OD2-CG 3.71Å; D194-H219 PolarHBondContact OD2-N 2.97Å; D194-H219 VanDerWaalsContact OD2-N 3.17Å; D194-H219 IonicContact OD2-ND1 3.16Å; D194-H219 PolarHBondContact OD2-ND1 3.13Å; D194-H219 VanDerWaalsContact OD2-ND1 3.17Å; D194-S220 WeakPolarHBondContact OD1-CB 3.17Å; D194-S220 PolarHBondContact OD1-OG 2.85Å; D194-S220 WeakPolarHBondContact OD2-CB 3.42Å; D194-S220 PolarHBondContact OD2-N 2.89Å; D194-S220 PolarHBondContact OD2-OG 3.31Å
195	E	98.9	Very high	98.7	Very high	7 Å²	7	36.7 Å²	36.7	3%	0.033	17%	0.172	C	C	.	.	H	α-helix	trans	-66.8	-40.7	-176.3	179.8	66	-160.8	0	0	110.3	H59 W191 Y198 R199 R217	H59-E195 IonicContact CE1-OE1 3.18Å; H59-E195 PolarHBondContact CE1-OE1 3.21Å; H59-E195 VanDerWaalsContact CE1-OE1 3.25Å; W191-E195 HydrophobicContact CE3-CG 4.29Å; W191-E195 HydrophobicContact CZ3-CB 4.5Å; W191-E195 HydrophobicContact CZ3-CG 3.95Å; E195-Y198 PolarHBondContact O-N 2.92Å; E195-R199 WeakPolarHBondContact O-CG 3.36Å; E195-R199 PolarHBondContact O-N 2.59Å; E195-R199 IonicContact OE1-CZ 3.12Å; E195-R199 IonicContact OE1-NE 2.69Å; E195-R199 PolarHBondContact OE1-NE 3.47Å; E195-R199 IonicContact OE1-NH2 2.72Å; E195-R199 PolarHBondContact OE1-NH2 3.35Å; E195-R217 IonicContact OE1-CZ 3.48Å; E195-R217 IonicContact OE1-NE 3.31Å; E195-R217 IonicContact OE1-NH2 3.2Å; E195-R217 PolarHBondContact OE1-NH2 3.12Å; E195-R217 IonicContact OE2-CZ 3.25Å; E195-R217 IonicContact OE2-NE 3.4Å; E195-R217 PolarHBondContact OE2-NE 2.96Å; E195-R217 IonicContact OE2-NH2 2.87Å; E195-R217 PolarHBondContact OE2-NH2 3.39Å
196	Y	98.9	Very high	98.7	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-60.4	-52.5	177.9	170.6	-111.6	0	0	0	111.5	W62 G125 I127 L128 W131 W191 G192 Y198 R199 V200 W284	W62-Y196 HydrophobicContact CB-CD2 4.03Å; W62-Y196 HydrophobicContact CB-CE2 4.35Å; W62-Y196 HydrophobicContact CE3-CE2 4.3Å; G125-Y196 WeakPolarHBondContact O-CD1 3.23Å; I127-Y196 HydrophobicContact CG2-CE1 3.93Å; L128-Y196 HydrophobicContact CD1-CD1 3.7Å; L128-Y196 HydrophobicContact CD1-CD2 4.27Å; L128-Y196 HydrophobicContact CD1-CE1 4.38Å; L128-Y196 HydrophobicContact CD1-CG 3.64Å; L128-Y196 HydrophobicContact CD2-CD1 4.19Å; L128-Y196 HydrophobicContact CD2-CD2 4.17Å; L128-Y196 HydrophobicContact CD2-CE1 4.1Å; L128-Y196 HydrophobicContact CD2-CE2 4.07Å; L128-Y196 HydrophobicContact CD2-CG 4.23Å; L128-Y196 HydrophobicContact CG-CD1 3.7Å; L128-Y196 HydrophobicContact CG-CD2 4.46Å; L128-Y196 HydrophobicContact CG-CE1 3.88Å; L128-Y196 HydrophobicContact CG-CG 4.02Å; W131-Y196 WeakPolarHBondContact CZ3-OH 3.29Å; W191-Y196 HydrophobicContact CH2-CD2 4.43Å; W191-Y196 HydrophobicContact CZ2-CD2 4.18Å; W191-Y196 HydrophobicContact CZ2-CG 4.36Å; G192-Y196 WeakPolarHBondContact O-CB 3.48Å; G192-Y196 PolarHBondContact O-N 3.17Å; Y196-Y198 PolarHBondContact O-N 3.19Å; Y196-R199 WeakPolarHBondContact O-CB 3.38Å; Y196-R199 PolarHBondContact O-N 2.78Å; Y196-R199 VanDerWaalsContact O-N 3.1Å; Y196-V200 HydrophobicContact CD2-CG2 4.15Å; Y196-V200 HydrophobicContact CE1-CG2 4.12Å; Y196-V200 HydrophobicContact CE2-CG2 3.63Å; Y196-V200 WeakPolarHBondContact O-CG2 3.28Å; Y196-V200 PolarHBondContact O-N 3.45Å; Y196-W284 PolarHBondContact OH-OXT 3.27Å
197	L	98.8	Very high	98.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.6	-41	-179.4	-177.4	63.8	0	0	0	111.7	I121 H122 V124 H193 R199 V200 M201 I216 W284	I121-L197 WeakPolarHBondContact O-CD2 3.44Å; H122-L197 VanDerWaalsContact O-CD2 3.24Å; H122-L197 WeakPolarHBondContact O-CD2 3.37Å; V124-L197 HydrophobicContact CB-CD1 4.32Å; V124-L197 HydrophobicContact CB-CD2 4.49Å; H193-L197 VanDerWaalsContact O-CB 3.25Å; H193-L197 WeakPolarHBondContact O-CB 3.5Å; H193-L197 PolarHBondContact O-N 3.39Å; L197-R199 PolarHBondContact O-N 3.5Å; L197-V200 PolarHBondContact O-N 3.25Å; L197-M201 HydrophobicContact CD1-CE 3.75Å; L197-M201 HydrophobicContact CD1-CG 4.29Å; L197-M201 HydrophobicContact CG-CG 4.29Å; L197-M201 WeakPolarHBondContact O-CG 3.49Å; L197-M201 PolarHBondContact O-N 2.99Å; L197-I216 HydrophobicContact CB-CG2 4.01Å; L197-I216 HydrophobicContact CD2-CD1 4.47Å; L197-I216 HydrophobicContact CD2-CG2 3.65Å; L197-I216 HydrophobicContact CG-CG2 3.86Å; L197-W284 HydrophobicContact CD1-CZ3 4.28Å
198	Y	98.9	Very high	98.7	Very high	42 Å²	42	31.2 Å²	31.2	17%	0.165	16%	0.159	C	C	.	.	H	α-helix	trans	-52.5	-45.9	172.7	168.8	-101.4	0	0	0	111.3	D194 E195 Y196 M201 K202 L213 R217	D194-Y198 WeakPolarHBondContact O-CB 3.35Å; D194-Y198 PolarHBondContact O-N 3.41Å; E195-Y198 PolarHBondContact O-N 2.92Å; Y196-Y198 PolarHBondContact O-N 3.19Å; Y198-M201 PolarHBondContact O-N 3.19Å; Y198-K202 HydrophobicContact CD1-CG 4.49Å; Y198-K202 HydrophobicContact CD2-CG 4.29Å; Y198-K202 HydrophobicContact CE1-CG 4.08Å; Y198-K202 HydrophobicContact CE2-CD 4.09Å; Y198-K202 HydrophobicContact CE2-CG 3.87Å; Y198-K202 VanDerWaalsContact O-CG 3.25Å; Y198-K202 WeakPolarHBondContact O-CG 3.46Å; Y198-K202 PolarHBondContact O-N 2.92Å; Y198-L213 HydrophobicContact CD2-CB 4.17Å; Y198-L213 HydrophobicContact CE2-CB 4.16Å; Y198-R217 HydrophobicContact CD1-CG 4.09Å; Y198-R217 HydrophobicContact CD2-CB 3.94Å; Y198-R217 HydrophobicContact CD2-CG 4.15Å; Y198-R217 HydrophobicContact CG-CB 3.95Å; Y198-R217 HydrophobicContact CG-CG 3.77Å
199	R	98.7	Very high	98.6	Very high	85 Å²	85	31.1 Å²	31.1	32%	0.321	16%	0.161	S	C	.	.	H	α-helix	trans	-66.3	-42.7	179.2	-65.6	-76.3	176.5	-167.8	-3.3	112.1	T63 E195 Y196 L197 M201 K202 F203	T63-R199 HydrophobicContact CG2-CB 4.36Å; T63-R199 HydrophobicContact CG2-CG 3.94Å; E195-R199 WeakPolarHBondContact O-CG 3.36Å; E195-R199 PolarHBondContact O-N 2.59Å; E195-R199 IonicContact OE1-CZ 3.12Å; E195-R199 IonicContact OE1-NE 2.69Å; E195-R199 PolarHBondContact OE1-NE 3.47Å; E195-R199 IonicContact OE1-NH2 2.72Å; E195-R199 PolarHBondContact OE1-NH2 3.35Å; Y196-R199 WeakPolarHBondContact O-CB 3.38Å; Y196-R199 PolarHBondContact O-N 2.78Å; Y196-R199 VanDerWaalsContact O-N 3.1Å; L197-R199 PolarHBondContact O-N 3.5Å; R199-M201 VanDerWaalsContact C-N 3.35Å; R199-M201 PolarHBondContact O-N 3.34Å; R199-K202 PolarHBondContact O-N 3.01Å; R199-F203 VanDerWaalsContact O-CB 3.3Å; R199-F203 WeakPolarHBondContact O-CB 3.34Å; R199-F203 PolarHBondContact O-N 3.2Å
200	V	98.8	Very high	98.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.1	-46	174.6	175.2	0	0	0	0	110.8	Y196 L197 K202 F203 N204 W284	Y196-V200 HydrophobicContact CD2-CG2 4.15Å; Y196-V200 HydrophobicContact CE1-CG2 4.12Å; Y196-V200 HydrophobicContact CE2-CG2 3.63Å; Y196-V200 WeakPolarHBondContact O-CG2 3.28Å; Y196-V200 PolarHBondContact O-N 3.45Å; L197-V200 PolarHBondContact O-N 3.25Å; V200-K202 VanDerWaalsContact C-N 3.34Å; V200-K202 PolarHBondContact O-N 2.92Å; V200-F203 PolarHBondContact O-N 3.24Å; V200-N204 WeakPolarHBondContact O-CB 3.37Å; V200-N204 PolarHBondContact O-N 2.82Å; V200-N204 PolarHBondContact O-ND2 3.43Å; V200-W284 HydrophobicContact CG1-CD2 4.21Å; V200-W284 HydrophobicContact CG1-CE3 3.82Å; V200-W284 HydrophobicContact CG1-CZ3 4.13Å; V200-W284 HydrophobicContact CG2-CE3 4.45Å
201	M	98.7	Very high	98.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-63.9	-40.7	179.8	-67.5	-56.4	96.6	0	0	111.6	M72 I121 L197 Y198 R199 N205 C206 I208 L213 L282	M72-M201 HydrophobicContact CE-CE 3.43Å; M72-M201 VanDerWaalsContact CE-CE 3.43Å; M72-M201 HydrophobicContact CE-SD 3.74Å; I121-M201 HydrophobicContact CD1-SD 3.98Å; L197-M201 HydrophobicContact CD1-CE 3.75Å; L197-M201 HydrophobicContact CD1-CG 4.29Å; L197-M201 HydrophobicContact CG-CG 4.29Å; L197-M201 WeakPolarHBondContact O-CG 3.49Å; L197-M201 PolarHBondContact O-N 2.99Å; Y198-M201 PolarHBondContact O-N 3.19Å; R199-M201 VanDerWaalsContact C-N 3.35Å; R199-M201 PolarHBondContact O-N 3.34Å; M201-N205 PolarHBondContact O-N 2.92Å; M201-C206 HydrophobicContact CB-CB 4.29Å; M201-C206 PolarHBondContact O-N 3.32Å; M201-C206 HydrophobicContact SD-CB 3.95Å; M201-I208 HydrophobicContact CG-CD1 4.23Å; M201-I208 HydrophobicContact SD-CD1 3.91Å; M201-L213 HydrophobicContact CB-CD2 3.58Å; M201-L213 HydrophobicContact CG-CD2 4.2Å; M201-L282 HydrophobicContact CE-CD1 4.3Å
202	K	98.6	Very high	98.6	Very high	109 Å²	109	38.9 Å²	38.9	47%	0.474	20%	0.197	S	C	.	.	H	α-helix	trans	-66.2	-43.7	175.1	-68.5	-66.4	-65.2	179.4	0	112	Y198 R199 V200 N204 N205 L213	Y198-K202 HydrophobicContact CD1-CG 4.49Å; Y198-K202 HydrophobicContact CD2-CG 4.29Å; Y198-K202 HydrophobicContact CE1-CG 4.08Å; Y198-K202 HydrophobicContact CE2-CD 4.09Å; Y198-K202 HydrophobicContact CE2-CG 3.87Å; Y198-K202 VanDerWaalsContact O-CG 3.25Å; Y198-K202 WeakPolarHBondContact O-CG 3.46Å; Y198-K202 PolarHBondContact O-N 2.92Å; R199-K202 PolarHBondContact O-N 3.01Å; V200-K202 VanDerWaalsContact C-N 3.34Å; V200-K202 PolarHBondContact O-N 2.92Å; K202-N204 PolarHBondContact O-N 2.57Å; K202-N205 PolarHBondContact O-N 3.29Å; K202-L213 HydrophobicContact CD-CD1 3.91Å
203	F	98.6	Very high	98.6	Very high	86 Å²	86	39.5 Å²	39.5	38%	0.377	20%	0.199	S	C	.	.	H	α-helix	trans	-63.8	-41.4	-178.6	-175.3	-92.6	0	0	0	112	C65 R199 V200 N205 Q283	C65-F203 HydrophobicContact CB-CB 4.37Å; C65-F203 HydrophobicContact CB-CD1 3.55Å; C65-F203 HydrophobicContact CB-CD2 4.32Å; C65-F203 HydrophobicContact CB-CE1 3.79Å; C65-F203 HydrophobicContact CB-CG 3.84Å; C65-F203 HydrophobicContact CB-CZ 4.28Å; R199-F203 VanDerWaalsContact O-CB 3.3Å; R199-F203 WeakPolarHBondContact O-CB 3.34Å; R199-F203 PolarHBondContact O-N 3.2Å; V200-F203 PolarHBondContact O-N 3.24Å; F203-N205 VanDerWaalsContact C-N 3.25Å; F203-N205 PolarHBondContact O-N 2.82Å; F203-Q283 HydrophobicContact CD1-CB 4.06Å; F203-Q283 HydrophobicContact CE1-CB 3.74Å; F203-Q283 HydrophobicContact CE1-CG 4.34Å
204	N	98.6	Very high	98.6	Very high	33 Å²	33	40 Å²	40	18%	0.176	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	1	178.8	-69.4	-80.6	0	0	0	113.9	V200 K202 C206 L282 Q283	V200-N204 WeakPolarHBondContact O-CB 3.37Å; V200-N204 PolarHBondContact O-N 2.82Å; V200-N204 PolarHBondContact O-ND2 3.43Å; K202-N204 PolarHBondContact O-N 2.57Å; N204-C206 PolarHBondContact O-N 2.91Å; N204-L282 HydrophobicContact CB-CD2 3.96Å; N204-L282 WeakPolarHBondContact OD1-CA 3.47Å; N204-Q283 PolarHBondContact ND2-O 3.35Å; N204-Q283 PolarHBondContact OD1-N 3.38Å
205	N	98.1	Very high	98.6	Very high	140 Å²	140	39.8 Å²	39.8	75%	0.749	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	40.4	-176.8	-56.7	-66.8	0	0	0	113.2	M201 K202 F203 A207	M201-N205 PolarHBondContact O-N 2.92Å; K202-N205 PolarHBondContact O-N 3.29Å; F203-N205 VanDerWaalsContact C-N 3.25Å; F203-N205 PolarHBondContact O-N 2.82Å; N205-A207 PolarHBondContact O-N 3.26Å
206	C	98.3	Very high	98.6	Very high	14 Å²	14	39.4 Å²	39.4	10%	0.095	20%	0.198	C	C	.	.			trans	-58.5	135.2	175	-63.7	0	0	0	0	110.3	M201 N204 I208 Y277 C278	M201-C206 HydrophobicContact CB-CB 4.29Å; M201-C206 PolarHBondContact O-N 3.32Å; M201-C206 HydrophobicContact SD-CB 3.95Å; N204-C206 PolarHBondContact O-N 2.91Å; C206-I208 HydrophobicContact CB-CD1 4.32Å; C206-I208 HydrophobicContact CB-CG1 4.29Å; C206-I208 PolarHBondContact O-N 3Å; C206-Y277 CarbonylContact C-O 3.57Å; C206-Y277 WeakPolarHBondContact CA-O 3.34Å; C206-C278 HydrophobicContact CB-CB 4.38Å; C206-C278 VanDerWaalsContact CB-SG 3.5Å
207	A	98.2	Very high	98.6	Very high	66 Å²	66	40 Å²	40	55%	0.545	20%	0.2	S	C	.	.			trans	-80.6	32.6	-173.4	0	0	0	0	0	113.5	N205 Y277	N205-A207 PolarHBondContact O-N 3.26Å; A207-Y277 HydrophobicContact CB-CD1 4.38Å; A207-Y277 PolarHBondContact N-O 3.38Å; A207-Y277 VanDerWaalsContact O-CD1 3.29Å; A207-Y277 WeakPolarHBondContact O-CD1 3.28Å
208	I	98.2	Very high	98.6	Very high	12 Å²	12	40.1 Å²	40.1	6%	0.062	20%	0.201	C	C	.	.			trans	-77.5	134.6	178.8	-58.4	173.4	0	0	0	108.7	V118 I121 M201 C206 L213 I216	V118-I208 HydrophobicContact CG2-CG2 4.02Å; I121-I208 HydrophobicContact CD1-CD1 3.5Å; M201-I208 HydrophobicContact CG-CD1 4.23Å; M201-I208 HydrophobicContact SD-CD1 3.91Å; C206-I208 HydrophobicContact CB-CD1 4.32Å; C206-I208 HydrophobicContact CB-CG1 4.29Å; C206-I208 PolarHBondContact O-N 3Å; I208-L213 HydrophobicContact CB-CD2 4.06Å; I208-L213 HydrophobicContact CB-CG 4.11Å; I208-L213 HydrophobicContact CD1-CD2 4.35Å; I208-L213 HydrophobicContact CG2-CD2 4.27Å; I208-L213 HydrophobicContact CG2-CG 4.11Å; I208-I216 HydrophobicContact CD1-CD1 4.48Å
209	P	98.3	Very high	98.6	Very high	38 Å²	38	38.1 Å²	38.1	25%	0.247	19%	0.193	C	C	.	.			trans	-56.6	160.2	174.6	-25.4	35.6	0	0	0	113.1	W114 E211 G212 L213	W114-P209 HydrophobicContact CB-CG 4.15Å; W114-P209 HydrophobicContact CD2-CG 3.76Å; W114-P209 HydrophobicContact CE3-CG 4.09Å; W114-P209 HydrophobicContact CG-CG 3.78Å; P209-E211 VanDerWaalsContact C-N 3.28Å; P209-E211 PolarHBondContact O-N 3.22Å; P209-G212 PolarHBondContact O-N 3.45Å; P209-L213 PolarHBondContact O-N 3.38Å; P209-L213 VanDerWaalsContact O-N 3.08Å
210	E	98.3	Very high	98.6	Very high	109 Å²	109	34.5 Å²	34.5	51%	0.509	18%	0.18	S	C	.	.	H	α-helix	trans	-60.1	-39.9	-177.3	-177	169	-143.7	0	0	112.1	G212 L213 Y214 K237 M241	E210-G212 VanDerWaalsContact C-N 3.31Å; E210-G212 PolarHBondContact O-N 3.28Å; E210-L213 PolarHBondContact O-N 3.12Å; E210-Y214 VanDerWaalsContact O-CB 3.28Å; E210-Y214 WeakPolarHBondContact O-CB 3.32Å; E210-Y214 PolarHBondContact O-N 3.08Å; E210-K237 WeakPolarHBondContact OE1-CE 3.48Å; E210-K237 IonicContact OE1-NZ 2.71Å; E210-K237 PolarHBondContact OE1-NZ 3Å; E210-M241 HydrophobicContact CB-CE 4.49Å; E210-M241 HydrophobicContact CG-CE 3.87Å
211	E	98.6	Very high	98.6	Very high	62 Å²	62	34.5 Å²	34.5	29%	0.29	18%	0.18	S	C	.	.	H	α-helix	trans	-58.3	-44.2	175.2	-61.3	81.9	173.1	0	0	111	W114 P209 Y214 M215 M241 W244	W114-E211 HydrophobicContact CH2-CB 4.15Å; W114-E211 HydrophobicContact CZ3-CB 4.43Å; P209-E211 VanDerWaalsContact C-N 3.28Å; P209-E211 PolarHBondContact O-N 3.22Å; E211-Y214 PolarHBondContact O-N 3.45Å; E211-M215 WeakPolarHBondContact O-CB 3.45Å; E211-M215 VanDerWaalsContact O-CG 3.26Å; E211-M215 WeakPolarHBondContact O-CG 3.31Å; E211-M215 PolarHBondContact O-N 3.17Å; E211-M241 HydrophobicContact CB-SD 4.39Å; E211-M241 HydrophobicContact CG-CE 4.2Å; E211-M241 HydrophobicContact CG-SD 4.04Å; E211-W244 HydrophobicContact CB-CD2 4.18Å; E211-W244 HydrophobicContact CB-CG 4.18Å; E211-W244 HydrophobicContact CG-CD2 4.16Å; E211-W244 HydrophobicContact CG-CG 4.14Å; E211-W244 HydrophobicContact CG-CZ2 4.37Å
212	G	98.8	Very high	98.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-45.8	178.2	0	0	0	0	0	112.9	P209 E210 Y214 M215 I216	P209-G212 PolarHBondContact O-N 3.45Å; E210-G212 VanDerWaalsContact C-N 3.31Å; E210-G212 PolarHBondContact O-N 3.28Å; G212-Y214 VanDerWaalsContact C-N 3.32Å; G212-Y214 PolarHBondContact O-N 2.91Å; G212-M215 PolarHBondContact O-N 3.28Å; G212-I216 WeakPolarHBondContact O-CG1 3.35Å; G212-I216 PolarHBondContact O-N 2.91Å; G212-I216 VanDerWaalsContact O-N 3.07Å
213	L	98.8	Very high	98.5	Very high	17 Å²	17	29.6 Å²	29.6	9%	0.089	16%	0.159	C	C	.	.	H	α-helix	trans	-65.7	-36.3	176.1	-67.1	174.8	0	0	0	112.2	Y198 M201 K202 I208 P209 E210 R217	Y198-L213 HydrophobicContact CD2-CB 4.17Å; Y198-L213 HydrophobicContact CE2-CB 4.16Å; M201-L213 HydrophobicContact CB-CD2 3.58Å; M201-L213 HydrophobicContact CG-CD2 4.2Å; K202-L213 HydrophobicContact CD-CD1 3.91Å; I208-L213 HydrophobicContact CB-CD2 4.06Å; I208-L213 HydrophobicContact CB-CG 4.11Å; I208-L213 HydrophobicContact CD1-CD2 4.35Å; I208-L213 HydrophobicContact CG2-CD2 4.27Å; I208-L213 HydrophobicContact CG2-CG 4.11Å; P209-L213 PolarHBondContact O-N 3.38Å; P209-L213 VanDerWaalsContact O-N 3.08Å; E210-L213 PolarHBondContact O-N 3.12Å; L213-R217 WeakPolarHBondContact O-CB 3.43Å; L213-R217 PolarHBondContact O-N 3.42Å; L213-R217 VanDerWaalsContact O-N 3.08Å
214	Y	98.8	Very high	98.5	Very high	13 Å²	13	25.7 Å²	25.7	5%	0.051	14%	0.142	C	C	.	.	H	α-helix	trans	-68.8	-42.1	177.9	-164.3	-74.4	0	0	0	111.2	E210 E211 G212 R217 F218 W224 D238 M241 V245	E210-Y214 VanDerWaalsContact O-CB 3.28Å; E210-Y214 WeakPolarHBondContact O-CB 3.32Å; E210-Y214 PolarHBondContact O-N 3.08Å; E211-Y214 PolarHBondContact O-N 3.45Å; G212-Y214 VanDerWaalsContact C-N 3.32Å; G212-Y214 PolarHBondContact O-N 2.91Å; Y214-R217 PolarHBondContact O-N 2.91Å; Y214-F218 AromaticContact CD1-CD2 3.65Å; Y214-F218 HydrophobicContact CD1-CD2 3.65Å; Y214-F218 HydrophobicContact CD1-CE2 4.29Å; Y214-F218 HydrophobicContact CD2-CD2 4.21Å; Y214-F218 HydrophobicContact CD2-CE2 4.03Å; Y214-F218 HydrophobicContact CE1-CB 4.4Å; Y214-F218 AromaticContact CE1-CD2 3.32Å; Y214-F218 HydrophobicContact CE1-CD2 3.32Å; Y214-F218 AromaticContact CE1-CE2 3.89Å; Y214-F218 HydrophobicContact CE1-CE2 3.89Å; Y214-F218 HydrophobicContact CE1-CG 4.19Å; Y214-F218 AromaticContact CE2-CD2 3.96Å; Y214-F218 HydrophobicContact CE2-CD2 3.96Å; Y214-F218 AromaticContact CE2-CE2 3.64Å; Y214-F218 HydrophobicContact CE2-CE2 3.64Å; Y214-F218 HydrophobicContact CG-CD2 4.06Å; Y214-F218 HydrophobicContact CG-CE2 4.34Å; Y214-F218 AromaticContact CZ-CD2 3.5Å; Y214-F218 VanDerWaalsContact CZ-CD2 3.5Å; Y214-F218 AromaticContact CZ-CE2 3.54Å; Y214-F218 WeakPolarHBondContact O-CD2 3.49Å; Y214-F218 PolarHBondContact O-N 3.17Å; Y214-W224 AromaticContact CE1-CH2 3.75Å; Y214-W224 HydrophobicContact CE1-CH2 3.75Å; Y214-W224 HydrophobicContact CE1-CZ3 4.09Å; Y214-D238 WeakPolarHBondContact OH-CA 3.36Å; Y214-D238 WeakPolarHBondContact OH-CB 3.44Å; Y214-D238 PolarHBondContact OH-OD1 3.14Å; Y214-M241 HydrophobicContact CD1-CB 3.49Å; Y214-M241 VanDerWaalsContact CD1-CB 3.49Å; Y214-M241 HydrophobicContact CD1-CG 3.86Å; Y214-M241 HydrophobicContact CD1-SD 4.45Å; Y214-M241 HydrophobicContact CD2-CB 4.23Å; Y214-M241 HydrophobicContact CD2-CG 3.76Å; Y214-M241 HydrophobicContact CD2-SD 4.45Å; Y214-M241 HydrophobicContact CE1-CB 3.45Å; Y214-M241 VanDerWaalsContact CE1-CB 3.45Å; Y214-M241 HydrophobicContact CE1-CG 4.08Å; Y214-M241 HydrophobicContact CE2-CB 4.17Å; Y214-M241 HydrophobicContact CE2-CG 3.95Å; Y214-M241 HydrophobicContact CG-CB 3.91Å; Y214-M241 HydrophobicContact CG-CG 3.71Å; Y214-M241 HydrophobicContact CG-SD 4.08Å; Y214-V245 HydrophobicContact CD1-CG2 3.88Å; Y214-V245 HydrophobicContact CE1-CG2 4.08Å
215	M	98.8	Very high	98.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.3	-51	173.3	-72.3	-177.5	-64	0	0	110.9	W114 F115 V118 E211 G212 R217 F218 H219 W244 V245 F248	W114-M215 HydrophobicContact CH2-CE 4.06Å; W114-M215 HydrophobicContact CZ3-CE 3.57Å; F115-M215 HydrophobicContact CD2-CE 3.58Å; F115-M215 HydrophobicContact CD2-SD 4.3Å; F115-M215 HydrophobicContact CE2-CE 3.49Å; F115-M215 VanDerWaalsContact CE2-CE 3.49Å; F115-M215 HydrophobicContact CE2-SD 3.59Å; F115-M215 VanDerWaalsContact CE2-SD 3.59Å; F115-M215 HydrophobicContact CZ-CE 4.47Å; F115-M215 HydrophobicContact CZ-SD 4.21Å; V118-M215 HydrophobicContact CG1-CB 4.47Å; V118-M215 HydrophobicContact CG1-CE 4.34Å; E211-M215 WeakPolarHBondContact O-CB 3.45Å; E211-M215 VanDerWaalsContact O-CG 3.26Å; E211-M215 WeakPolarHBondContact O-CG 3.31Å; E211-M215 PolarHBondContact O-N 3.17Å; G212-M215 PolarHBondContact O-N 3.28Å; M215-R217 PolarHBondContact O-N 3.34Å; M215-F218 PolarHBondContact O-N 2.99Å; M215-H219 VanDerWaalsContact O-CB 3.25Å; M215-H219 WeakPolarHBondContact O-CB 3.38Å; M215-H219 PolarHBondContact O-N 3.09Å; M215-W244 HydrophobicContact CG-CB 4.08Å; M215-W244 VanDerWaalsContact SD-C 3.57Å; M215-W244 HydrophobicContact SD-CB 3.85Å; M215-W244 HydrophobicContact SD-CE3 4.46Å; M215-V245 HydrophobicContact CG-CG2 4.2Å; M215-F248 HydrophobicContact CB-CB 4.44Å; M215-F248 HydrophobicContact CB-CG 4.43Å; M215-F248 HydrophobicContact CG-CB 4.21Å; M215-F248 HydrophobicContact SD-CB 3.57Å; M215-F248 VanDerWaalsContact SD-CB 3.57Å; M215-F248 HydrophobicContact SD-CG 4.33Å
216	I	98.8	Very high	98.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-54.3	-42.8	176.4	-70.2	169.5	0	0	0	111.8	V118 I121 D194 L197 I208 G212 F218 H219	V118-I216 HydrophobicContact CG1-CD1 4.47Å; V118-I216 HydrophobicContact CG1-CG1 4.04Å; V118-I216 HydrophobicContact CG2-CD1 4.4Å; I121-I216 HydrophobicContact CD1-CD1 3.87Å; I121-I216 HydrophobicContact CG1-CD1 3.96Å; D194-I216 WeakPolarHBondContact CA-O 3.39Å; D194-I216 WeakPolarHBondContact CB-O 3.47Å; L197-I216 HydrophobicContact CB-CG2 4.01Å; L197-I216 HydrophobicContact CD2-CD1 4.47Å; L197-I216 HydrophobicContact CD2-CG2 3.65Å; L197-I216 HydrophobicContact CG-CG2 3.86Å; I208-I216 HydrophobicContact CD1-CD1 4.48Å; G212-I216 WeakPolarHBondContact O-CG1 3.35Å; G212-I216 PolarHBondContact O-N 2.91Å; G212-I216 VanDerWaalsContact O-N 3.07Å; I216-F218 VanDerWaalsContact C-N 3.32Å; I216-F218 PolarHBondContact O-N 3.11Å; I216-H219 PolarHBondContact O-CE1 3.19Å; I216-H219 PolarHBondContact O-ND1 3.38Å
217	R	98.9	Very high	98	Very high	14 Å²	14	21.6 Å²	21.6	5%	0.053	12%	0.117	C	C	.	.	H	α-helix	trans	-71.9	-21.4	-174.6	-164.8	178.5	-170.7	-156.2	-9	114.5	D194 E195 Y198 L213 Y214 M215	D194-R217 WeakPolarHBondContact CB-O 3.43Å; E195-R217 IonicContact OE1-CZ 3.48Å; E195-R217 IonicContact OE1-NE 3.31Å; E195-R217 IonicContact OE1-NH2 3.2Å; E195-R217 PolarHBondContact OE1-NH2 3.12Å; E195-R217 IonicContact OE2-CZ 3.25Å; E195-R217 IonicContact OE2-NE 3.4Å; E195-R217 PolarHBondContact OE2-NE 2.96Å; E195-R217 IonicContact OE2-NH2 2.87Å; E195-R217 PolarHBondContact OE2-NH2 3.39Å; Y198-R217 HydrophobicContact CD1-CG 4.09Å; Y198-R217 HydrophobicContact CD2-CB 3.94Å; Y198-R217 HydrophobicContact CD2-CG 4.15Å; Y198-R217 HydrophobicContact CG-CB 3.95Å; Y198-R217 HydrophobicContact CG-CG 3.77Å; L213-R217 WeakPolarHBondContact O-CB 3.43Å; L213-R217 PolarHBondContact O-N 3.42Å; L213-R217 VanDerWaalsContact O-N 3.08Å; Y214-R217 PolarHBondContact O-N 2.91Å; M215-R217 PolarHBondContact O-N 3.34Å
218	F	98.9	Very high	97.8	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	11%	0.111	C	C	.	.	H	α-helix	trans	-136.4	16.1	-170.7	-59.7	-67.8	0	0	0	113.7	L184 M189 Y214 M215 I216 S220 F221 W224 H225	L184-F218 HydrophobicContact CB-CE1 3.92Å; L184-F218 HydrophobicContact CB-CE2 4.28Å; L184-F218 HydrophobicContact CB-CZ 3.68Å; M189-F218 HydrophobicContact CG-CE1 4.1Å; M189-F218 HydrophobicContact SD-CE1 4.45Å; Y214-F218 AromaticContact CD1-CD2 3.65Å; Y214-F218 HydrophobicContact CD1-CD2 3.65Å; Y214-F218 HydrophobicContact CD1-CE2 4.29Å; Y214-F218 HydrophobicContact CD2-CD2 4.21Å; Y214-F218 HydrophobicContact CD2-CE2 4.03Å; Y214-F218 HydrophobicContact CE1-CB 4.4Å; Y214-F218 AromaticContact CE1-CD2 3.32Å; Y214-F218 HydrophobicContact CE1-CD2 3.32Å; Y214-F218 AromaticContact CE1-CE2 3.89Å; Y214-F218 HydrophobicContact CE1-CE2 3.89Å; Y214-F218 HydrophobicContact CE1-CG 4.19Å; Y214-F218 AromaticContact CE2-CD2 3.96Å; Y214-F218 HydrophobicContact CE2-CD2 3.96Å; Y214-F218 AromaticContact CE2-CE2 3.64Å; Y214-F218 HydrophobicContact CE2-CE2 3.64Å; Y214-F218 HydrophobicContact CG-CD2 4.06Å; Y214-F218 HydrophobicContact CG-CE2 4.34Å; Y214-F218 AromaticContact CZ-CD2 3.5Å; Y214-F218 VanDerWaalsContact CZ-CD2 3.5Å; Y214-F218 AromaticContact CZ-CE2 3.54Å; Y214-F218 WeakPolarHBondContact O-CD2 3.49Å; Y214-F218 PolarHBondContact O-N 3.17Å; M215-F218 PolarHBondContact O-N 2.99Å; I216-F218 VanDerWaalsContact C-N 3.32Å; I216-F218 PolarHBondContact O-N 3.11Å; F218-S220 VanDerWaalsContact C-N 3.26Å; F218-S220 PolarHBondContact O-N 3.36Å; F218-F221 HydrophobicContact CB-CB 4.38Å; F218-F221 HydrophobicContact CD1-CD2 4.36Å; F218-F221 WeakPolarHBondContact O-CB 3.43Å; F218-F221 PolarHBondContact O-N 3.11Å; F218-F221 VanDerWaalsContact O-N 3.15Å; F218-W224 HydrophobicContact CB-CZ3 4.13Å; F218-H225 PolarHBondContact O-CD2 2.87Å
219	H	98.8	Very high	97.8	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-22.7	179.9	71.8	-73.7	0	0	0	112.9	H122 D123 H193 D194 M215 I216 F221 H225 F248 D252	H122-H219 AromaticContact CD2-CD2 3.78Å; H122-H219 AromaticContact CD2-NE2 3.54Å; D123-H219 IonicContact OD1-NE2 2.7Å; H193-H219 AromaticContact CD2-CE1 3.6Å; H193-H219 AromaticContact CD2-NE2 3.67Å; H193-H219 AromaticContact NE2-CE1 3.4Å; H193-H219 PolarHBondContact NE2-CE1 3.36Å; H193-H219 AromaticContact NE2-NE2 3.15Å; H193-H219 PolarHBondContact NE2-NE2 3.26Å; H193-H219 VanDerWaalsContact NE2-NE2 3.15Å; D194-H219 VanDerWaalsContact CG-CE1 3.43Å; D194-H219 IonicContact OD1-CE1 2.67Å; D194-H219 PolarHBondContact OD1-CE1 2.71Å; D194-H219 VanDerWaalsContact OD1-CE1 3.25Å; D194-H219 IonicContact OD1-ND1 3.81Å; D194-H219 IonicContact OD1-NE2 3.21Å; D194-H219 IonicContact OD2-CE1 2.87Å; D194-H219 IonicContact OD2-CG 3.71Å; D194-H219 PolarHBondContact OD2-N 2.97Å; D194-H219 VanDerWaalsContact OD2-N 3.17Å; D194-H219 IonicContact OD2-ND1 3.16Å; D194-H219 PolarHBondContact OD2-ND1 3.13Å; D194-H219 VanDerWaalsContact OD2-ND1 3.17Å; M215-H219 VanDerWaalsContact O-CB 3.25Å; M215-H219 WeakPolarHBondContact O-CB 3.38Å; M215-H219 PolarHBondContact O-N 3.09Å; I216-H219 PolarHBondContact O-CE1 3.19Å; I216-H219 PolarHBondContact O-ND1 3.38Å; H219-F221 VanDerWaalsContact C-N 3.33Å; H219-H225 PolarHBondContact O-NE2 3.22Å; H219-F248 HydrophobicContact CB-CD1 3.69Å; H219-F248 HydrophobicContact CB-CE1 3.46Å; H219-F248 VanDerWaalsContact CB-CE1 3.46Å; H219-F248 AromaticContact CD2-CE1 3.97Å; H219-F248 AromaticContact CG-CE1 3.86Å; H219-D252 IonicContact CD2-OD2 2.68Å
220	S	98.7	Very high	97.8	Very high	8 Å²	8	19.8 Å²	19.8	6%	0.056	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-1.6	172.3	-60.9	0	0	0	0	112.7	D141 T142 H193 D194 F218 Y222	D141-S220 CarbonylContact C-O 3.56Å; D141-S220 VanDerWaalsContact CA-O 3.29Å; D141-S220 WeakPolarHBondContact CA-O 3.49Å; T142-S220 PolarHBondContact N-O 3.42Å; T142-S220 PolarHBondContact OG1-O 2.9Å; H193-S220 PolarHBondContact CE1-OG 2.97Å; H193-S220 PolarHBondContact NE2-OG 3.18Å; D194-S220 WeakPolarHBondContact OD1-CB 3.17Å; D194-S220 PolarHBondContact OD1-OG 2.85Å; D194-S220 WeakPolarHBondContact OD2-CB 3.42Å; D194-S220 PolarHBondContact OD2-N 2.89Å; D194-S220 PolarHBondContact OD2-OG 3.31Å; F218-S220 VanDerWaalsContact C-N 3.26Å; F218-S220 PolarHBondContact O-N 3.36Å; S220-Y222 PolarHBondContact O-N 2.89Å
221	F	98.8	Very high	97.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.105	C	C	.	.			trans	-84.3	56.7	-175	-168.4	18.3	0	0	0	112.7	T142 P144 L184 M189 F218 H219 P223 W224 H225 Y230	T142-F221 WeakPolarHBondContact O-CD1 3.31Å; T142-F221 WeakPolarHBondContact OG1-CA 3.47Å; T142-F221 PolarHBondContact OG1-N 3.23Å; P144-F221 HydrophobicContact CG-CE1 4.17Å; P144-F221 HydrophobicContact CG-CZ 3.69Å; L184-F221 HydrophobicContact CD1-CD2 4.08Å; L184-F221 HydrophobicContact CD1-CE2 3.92Å; L184-F221 HydrophobicContact CD2-CE2 3.89Å; M189-F221 HydrophobicContact CE-CB 4.16Å; M189-F221 HydrophobicContact CE-CD1 3.59Å; M189-F221 HydrophobicContact CE-CD2 3.6Å; M189-F221 HydrophobicContact CE-CE1 3.81Å; M189-F221 HydrophobicContact CE-CE2 3.79Å; M189-F221 HydrophobicContact CE-CG 3.5Å; M189-F221 HydrophobicContact CE-CZ 3.88Å; M189-F221 HydrophobicContact SD-CD2 4.5Å; M189-F221 HydrophobicContact SD-CE2 4.35Å; F218-F221 HydrophobicContact CB-CB 4.38Å; F218-F221 HydrophobicContact CD1-CD2 4.36Å; F218-F221 WeakPolarHBondContact O-CB 3.43Å; F218-F221 PolarHBondContact O-N 3.11Å; F218-F221 VanDerWaalsContact O-N 3.15Å; H219-F221 VanDerWaalsContact C-N 3.33Å; F221-P223 VanDerWaalsContact C-CD 3.49Å; F221-P223 HydrophobicContact CD1-CB 4.31Å; F221-P223 HydrophobicContact CD1-CG 4.39Å; F221-P223 HydrophobicContact CE1-CB 3.99Å; F221-P223 HydrophobicContact CE1-CG 4.37Å; F221-W224 HydrophobicContact CD1-CB 3.98Å; F221-W224 HydrophobicContact CD2-CB 3.41Å; F221-W224 VanDerWaalsContact CD2-CB 3.41Å; F221-W224 HydrophobicContact CD2-CD2 4.1Å; F221-W224 AromaticContact CD2-CE3 3.88Å; F221-W224 HydrophobicContact CD2-CE3 3.88Å; F221-W224 AromaticContact CD2-CG 3.95Å; F221-W224 HydrophobicContact CD2-CG 3.95Å; F221-W224 HydrophobicContact CE1-CB 3.91Å; F221-W224 HydrophobicContact CE2-CB 3.34Å; F221-W224 HydrophobicContact CE2-CD2 4.38Å; F221-W224 AromaticContact CE2-CG 3.88Å; F221-W224 HydrophobicContact CE2-CG 3.88Å; F221-W224 HydrophobicContact CG-CB 3.74Å; F221-W224 HydrophobicContact CZ-CB 3.61Å; F221-W224 WeakPolarHBondContact O-CB 3.32Å; F221-W224 PolarHBondContact O-N 2.87Å; F221-H225 PolarHBondContact N-NE2 3.19Å; F221-H225 PolarHBondContact O-CD2 3.16Å; F221-H225 PolarHBondContact O-N 2.76Å; F221-H225 VanDerWaalsContact O-N 3.08Å; F221-H225 PolarHBondContact O-NE2 2.97Å; F221-Y230 AromaticContact CE1-CD2 3.57Å; F221-Y230 HydrophobicContact CE1-CD2 3.57Å; F221-Y230 AromaticContact CE1-CE2 3.97Å; F221-Y230 HydrophobicContact CE1-CE2 3.97Å; F221-Y230 HydrophobicContact CE1-CG 4.17Å; F221-Y230 AromaticContact CZ-CD2 3.56Å; F221-Y230 HydrophobicContact CZ-CD2 3.56Å; F221-Y230 HydrophobicContact CZ-CE2 4.32Å; F221-Y230 AromaticContact CZ-CG 3.69Å; F221-Y230 HydrophobicContact CZ-CG 3.69Å
222	Y	98.1	Very high	97.8	Very high	6 Å²	6	16.2 Å²	16.2	2%	0.024	10%	0.095	C	C	.	.	H	α-helix	trans	-53	-42.1	-176.5	-85	-97.1	0	0	0	114.9	R28 D141 S220 W224 H225 S226 H227 N249	R28-Y222 VanDerWaalsContact CZ-CZ 3.4Å; R28-Y222 VanDerWaalsContact NE-CE1 3.27Å; R28-Y222 VanDerWaalsContact NH1-CE2 3.34Å; R28-Y222 PolarHBondContact NH1-OH 3.15Å; D141-Y222 VanDerWaalsContact OD1-CD2 3.3Å; D141-Y222 WeakPolarHBondContact OD1-CD2 3.15Å; D141-Y222 WeakPolarHBondContact OD2-CB 3.25Å; S220-Y222 PolarHBondContact O-N 2.89Å; Y222-W224 PolarHBondContact O-N 2.94Å; Y222-W224 VanDerWaalsContact O-N 3.14Å; Y222-H225 VanDerWaalsContact CA-CE1 3.48Å; Y222-H225 WeakPolarHBondContact CA-CE1 3.46Å; Y222-H225 WeakPolarHBondContact CA-NE2 3.43Å; Y222-H225 AromaticContact CD1-CE1 3.6Å; Y222-H225 AromaticContact CD2-CE1 3.67Å; Y222-H225 AromaticContact CD2-NE2 3.75Å; Y222-H225 AromaticContact CE1-CE1 3.87Å; Y222-H225 AromaticContact CE2-CE1 3.9Å; Y222-H225 AromaticContact CG-CE1 3.51Å; Y222-H225 AromaticContact CG-NE2 3.91Å; Y222-H225 PolarHBondContact N-NE2 3.38Å; Y222-H225 PolarHBondContact O-N 3.45Å; Y222-S226 WeakPolarHBondContact O-CB 3.25Å; Y222-S226 PolarHBondContact O-N 3.18Å; Y222-H227 PolarHBondContact O-CD2 2.92Å; Y222-H227 PolarHBondContact O-N 3.08Å; Y222-N249 PolarHBondContact OH-OD1 3.25Å
223	P	98.3	Very high	97.8	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-49.8	-40.4	173.8	-31.6	36.8	0	0	0	113	S152 I153 F221 H227 G228 D229 Y230	S152-P223 VanDerWaalsContact OG-CA 3.32Å; S152-P223 WeakPolarHBondContact OG-CA 3.47Å; S152-P223 WeakPolarHBondContact OG-CB 3.47Å; I153-P223 HydrophobicContact CG1-CG 3.99Å; F221-P223 VanDerWaalsContact C-CD 3.49Å; F221-P223 HydrophobicContact CD1-CB 4.31Å; F221-P223 HydrophobicContact CD1-CG 4.39Å; F221-P223 HydrophobicContact CE1-CB 3.99Å; F221-P223 HydrophobicContact CE1-CG 4.37Å; P223-H227 CarbonylContact O-C 3.5Å; P223-H227 WeakPolarHBondContact O-CB 3.4Å; P223-G228 PolarHBondContact O-N 3.23Å; P223-G228 VanDerWaalsContact O-N 3.09Å; P223-D229 HydrophobicContact CB-CB 4.24Å; P223-D229 WeakPolarHBondContact O-CB 3.41Å; P223-D229 PolarHBondContact O-N 3.42Å; P223-Y230 HydrophobicContact CB-CD2 3.8Å; P223-Y230 HydrophobicContact CB-CE2 3.64Å; P223-Y230 HydrophobicContact CG-CE2 4.39Å
224	W	98.6	Very high	97.8	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.015	9%	0.092	C	C	.	.	H	α-helix	trans	-80.2	-59.5	178.8	170.8	62.6	0	0	0	112.7	L184 Y214 F218 F221 Y222 S226 G228 D229 C234 D238 L242 V245	L184-W224 HydrophobicContact CD1-CD2 3.78Å; L184-W224 HydrophobicContact CD1-CE3 3.97Å; L184-W224 HydrophobicContact CD1-CG 4.31Å; L184-W224 HydrophobicContact CD1-CH2 4.21Å; L184-W224 HydrophobicContact CD1-CZ2 4Å; L184-W224 HydrophobicContact CD1-CZ3 4.17Å; Y214-W224 AromaticContact CE1-CH2 3.75Å; Y214-W224 HydrophobicContact CE1-CH2 3.75Å; Y214-W224 HydrophobicContact CE1-CZ3 4.09Å; F218-W224 HydrophobicContact CB-CZ3 4.13Å; F221-W224 HydrophobicContact CD1-CB 3.98Å; F221-W224 HydrophobicContact CD2-CB 3.41Å; F221-W224 VanDerWaalsContact CD2-CB 3.41Å; F221-W224 HydrophobicContact CD2-CD2 4.1Å; F221-W224 AromaticContact CD2-CE3 3.88Å; F221-W224 HydrophobicContact CD2-CE3 3.88Å; F221-W224 AromaticContact CD2-CG 3.95Å; F221-W224 HydrophobicContact CD2-CG 3.95Å; F221-W224 HydrophobicContact CE1-CB 3.91Å; F221-W224 HydrophobicContact CE2-CB 3.34Å; F221-W224 HydrophobicContact CE2-CD2 4.38Å; F221-W224 AromaticContact CE2-CG 3.88Å; F221-W224 HydrophobicContact CE2-CG 3.88Å; F221-W224 HydrophobicContact CG-CB 3.74Å; F221-W224 HydrophobicContact CZ-CB 3.61Å; F221-W224 WeakPolarHBondContact O-CB 3.32Å; F221-W224 PolarHBondContact O-N 2.87Å; Y222-W224 PolarHBondContact O-N 2.94Å; Y222-W224 VanDerWaalsContact O-N 3.14Å; W224-S226 PolarHBondContact O-N 2.83Å; W224-G228 PolarHBondContact O-N 3.4Å; W224-D229 WeakPolarHBondContact CA-O 3.49Å; W224-C234 VanDerWaalsContact CD1-SG 3.56Å; W224-C234 PolarHBondContact NE1-SG 3.43Å; W224-D238 HydrophobicContact CZ2-CB 4.21Å; W224-D238 WeakPolarHBondContact CZ2-O 3.44Å; W224-L242 HydrophobicContact CD2-CD1 4.35Å; W224-L242 HydrophobicContact CH2-CB 4.23Å; W224-L242 HydrophobicContact CH2-CD1 4.08Å; W224-L242 HydrophobicContact CZ2-CB 3.9Å; W224-L242 HydrophobicContact CZ2-CD1 3.83Å; W224-L242 HydrophobicContact CZ2-CG 4.4Å; W224-L242 HydrophobicContact CZ3-CD1 4.46Å; W224-V245 HydrophobicContact CH2-CG2 4.18Å; W224-V245 HydrophobicContact CZ3-CB 4.26Å; W224-V245 HydrophobicContact CZ3-CG1 4.23Å; W224-V245 HydrophobicContact CZ3-CG2 3.95Å
225	H	97.4	Very high	97.8	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-77.2	-26.2	-167.7	61.2	69	0	0	0	113.9	F218 H219 F221 Y222 L242 V245 K246	F218-H225 PolarHBondContact O-CD2 2.87Å; H219-H225 PolarHBondContact O-NE2 3.22Å; F221-H225 PolarHBondContact N-NE2 3.19Å; F221-H225 PolarHBondContact O-CD2 3.16Å; F221-H225 PolarHBondContact O-N 2.76Å; F221-H225 VanDerWaalsContact O-N 3.08Å; F221-H225 PolarHBondContact O-NE2 2.97Å; Y222-H225 VanDerWaalsContact CA-CE1 3.48Å; Y222-H225 WeakPolarHBondContact CA-CE1 3.46Å; Y222-H225 WeakPolarHBondContact CA-NE2 3.43Å; Y222-H225 AromaticContact CD1-CE1 3.6Å; Y222-H225 AromaticContact CD2-CE1 3.67Å; Y222-H225 AromaticContact CD2-NE2 3.75Å; Y222-H225 AromaticContact CE1-CE1 3.87Å; Y222-H225 AromaticContact CE2-CE1 3.9Å; Y222-H225 AromaticContact CG-CE1 3.51Å; Y222-H225 AromaticContact CG-NE2 3.91Å; Y222-H225 PolarHBondContact N-NE2 3.38Å; Y222-H225 PolarHBondContact O-N 3.45Å; H225-L242 HydrophobicContact CB-CD1 3.86Å; H225-V245 HydrophobicContact CB-CG1 3.91Å; H225-K246 WeakPolarHBondContact O-CE 3.39Å
226	S	93	Very high	97.8	Very high	14 Å²	14	22.7 Å²	22.7	10%	0.098	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-35.7	179.9	-72.9	0	0	0	0	113	D9 Y222 W224	D9-S226 PolarHBondContact OD2-OG 3.43Å; Y222-S226 WeakPolarHBondContact O-CB 3.25Å; Y222-S226 PolarHBondContact O-N 3.18Å; W224-S226 PolarHBondContact O-N 2.83Å
227	H	93.2	Very high	97.8	Very high	86 Å²	86	26 Å²	26	40%	0.398	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-14.2	-171.2	-57.4	-61.1	0	0	0	115	Y222 P223 D229	Y222-H227 PolarHBondContact O-CD2 2.92Å; Y222-H227 PolarHBondContact O-N 3.08Å; P223-H227 CarbonylContact O-C 3.5Å; P223-H227 WeakPolarHBondContact O-CB 3.4Å; H227-D229 VanDerWaalsContact C-N 3.32Å
228	G	94.4	Very high	97.8	Very high	41 Å²	41	25.3 Å²	25.3	42%	0.423	14%	0.142	S	C	.	.			trans	79.1	13.2	176.9	0	0	0	0	0	114.8	P223 W224 T231	P223-G228 PolarHBondContact O-N 3.23Å; P223-G228 VanDerWaalsContact O-N 3.09Å; W224-G228 PolarHBondContact O-N 3.4Å; G228-T231 WeakPolarHBondContact O-CG2 3.39Å
229	D	97.9	Very high	97.7	Very high	38 Å²	38	29.7 Å²	29.7	20%	0.203	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	168	169.3	-87.3	-1.9	0	0	0	110.8	Q150 D151 S152 P223 W224 H227 T231	Q150-D229 HydrophobicContact CB-CB 4.16Å; Q150-D229 VanDerWaalsContact CB-OD2 3.3Å; Q150-D229 WeakPolarHBondContact CB-OD2 3.15Å; Q150-D229 VanDerWaalsContact OE1-CA 3.31Å; Q150-D229 PolarHBondContact OE1-OD1 3.38Å; D151-D229 PolarHBondContact N-OD2 2.87Å; S152-D229 WeakPolarHBondContact CB-OD2 3.06Å; S152-D229 PolarHBondContact N-OD2 3.35Å; S152-D229 WeakPolarHBondContact OG-CB 3.38Å; S152-D229 PolarHBondContact OG-OD2 3.45Å; P223-D229 HydrophobicContact CB-CB 4.24Å; P223-D229 WeakPolarHBondContact O-CB 3.41Å; P223-D229 PolarHBondContact O-N 3.42Å; W224-D229 WeakPolarHBondContact CA-O 3.49Å; H227-D229 VanDerWaalsContact C-N 3.32Å; D229-T231 PolarHBondContact O-N 3.4Å
230	Y	98.5	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	13.4	177.7	-59.3	-79.6	0	0	0	117	P144 Q150 I153 F221 P223 H232 L233 C234	P144-Y230 HydrophobicContact CB-CD1 4.34Å; P144-Y230 HydrophobicContact CB-CE1 4.1Å; P144-Y230 HydrophobicContact CG-CD1 3.61Å; P144-Y230 HydrophobicContact CG-CE1 3.68Å; P144-Y230 HydrophobicContact CG-CG 4.03Å; Q150-Y230 HydrophobicContact CB-CE1 4.28Å; Q150-Y230 HydrophobicContact CB-CE2 3.9Å; Q150-Y230 HydrophobicContact CG-CD1 4.12Å; Q150-Y230 HydrophobicContact CG-CE1 3.69Å; Q150-Y230 HydrophobicContact CG-CE2 4.14Å; Q150-Y230 PolarHBondContact N-OH 3.21Å; I153-Y230 VanDerWaalsContact CD1-OH 3.26Å; I153-Y230 WeakPolarHBondContact CD1-OH 3.24Å; I153-Y230 HydrophobicContact CG1-CE2 4.49Å; F221-Y230 AromaticContact CE1-CD2 3.57Å; F221-Y230 HydrophobicContact CE1-CD2 3.57Å; F221-Y230 AromaticContact CE1-CE2 3.97Å; F221-Y230 HydrophobicContact CE1-CE2 3.97Å; F221-Y230 HydrophobicContact CE1-CG 4.17Å; F221-Y230 AromaticContact CZ-CD2 3.56Å; F221-Y230 HydrophobicContact CZ-CD2 3.56Å; F221-Y230 HydrophobicContact CZ-CE2 4.32Å; F221-Y230 AromaticContact CZ-CG 3.69Å; F221-Y230 HydrophobicContact CZ-CG 3.69Å; P223-Y230 HydrophobicContact CB-CD2 3.8Å; P223-Y230 HydrophobicContact CB-CE2 3.64Å; P223-Y230 HydrophobicContact CG-CE2 4.39Å; Y230-H232 AromaticContact CD1-CE1 3.87Å; Y230-H232 PolarHBondContact O-N 3.21Å; Y230-H232 VanDerWaalsContact O-N 3.13Å; Y230-L233 HydrophobicContact CD1-CD1 4Å; Y230-L233 PolarHBondContact O-N 2.92Å; Y230-C234 PolarHBondContact O-SG 3.08Å
231	T	98	Very high	97.7	Very high	78 Å²	78	36.6 Å²	36.6	48%	0.479	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.7	175.7	50.7	0	0	0	0	114	G228 D229 L233 C234	G228-T231 WeakPolarHBondContact O-CG2 3.39Å; D229-T231 PolarHBondContact O-N 3.4Å; T231-L233 PolarHBondContact O-N 2.67Å; T231-C234 WeakPolarHBondContact O-CB 3.37Å; T231-C234 PolarHBondContact O-N 2.82Å
232	H	98.3	Very high	97.6	Very high	18 Å²	18	38.2 Å²	38.2	8%	0.083	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-18.8	174.1	66.2	-76.1	0	0	0	113.9	Q150 E174 Y175 N181 Y230	Q150-H232 PolarHBondContact NE2-CE1 3.04Å; Q150-H232 PolarHBondContact NE2-ND1 2.47Å; E174-H232 PolarHBondContact O-NE2 3.09Å; Y175-H232 AromaticContact CD1-CD2 3.8Å; Y175-H232 HydrophobicContact CE1-CB 3.99Å; Y175-H232 AromaticContact CE1-CD2 3.64Å; N181-H232 PolarHBondContact N-O 2.88Å; Y230-H232 AromaticContact CD1-CE1 3.87Å; Y230-H232 PolarHBondContact O-N 3.21Å; Y230-H232 VanDerWaalsContact O-N 3.13Å
233	L	98.8	Very high	97.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-19.4	173.4	-56.7	179.7	0	0	0	112.5	P144 Y175 Y178 N181 C182 G183 L184 V187 Y230 T231	P144-L233 HydrophobicContact CB-CD1 4.16Å; P144-L233 HydrophobicContact CG-CD1 4.02Å; Y175-L233 HydrophobicContact CD1-CD2 4.33Å; Y178-L233 HydrophobicContact CD2-CD1 4.29Å; Y178-L233 HydrophobicContact CD2-CD2 4.07Å; Y178-L233 HydrophobicContact CG-CD2 4.19Å; N181-L233 CarbonylContact C-O 3.6Å; C182-L233 PolarHBondContact N-O 3.3Å; G183-L233 WeakPolarHBondContact CA-O 3.47Å; G183-L233 PolarHBondContact N-O 2.68Å; L184-L233 HydrophobicContact CD2-CB 4.29Å; V187-L233 HydrophobicContact CG1-CD1 4.27Å; V187-L233 HydrophobicContact CG2-CB 4.11Å; V187-L233 HydrophobicContact CG2-CD1 4.03Å; Y230-L233 HydrophobicContact CD1-CD1 4Å; Y230-L233 PolarHBondContact O-N 2.92Å; T231-L233 PolarHBondContact O-N 2.67Å
234	C	98.7	Very high	97.7	Very high	4 Å²	4	45.6 Å²	45.6	3%	0.027	24%	0.244	C	C	.	.			trans	-74.8	144.6	-174.5	-63.5	0	0	0	0	112.4	N181 W224 Y230 T231 D238	N181-C234 WeakPolarHBondContact CA-O 3.47Å; N181-C234 WeakPolarHBondContact CB-O 3.25Å; N181-C234 PolarHBondContact ND2-O 3.46Å; W224-C234 VanDerWaalsContact CD1-SG 3.56Å; W224-C234 PolarHBondContact NE1-SG 3.43Å; Y230-C234 PolarHBondContact O-SG 3.08Å; T231-C234 WeakPolarHBondContact O-CB 3.37Å; T231-C234 PolarHBondContact O-N 2.82Å; C234-D238 VanDerWaalsContact CA-OD2 3.25Å; C234-D238 WeakPolarHBondContact CA-OD2 3.35Å; C234-D238 HydrophobicContact CB-CB 3.97Å
235	N	98.6	Very high	97.7	Very high	39 Å²	39	45.4 Å²	45.4	21%	0.209	24%	0.243	C	C	.	.			trans	-108.5	-177.6	169.2	70.9	27.6	0	0	0	111.6	G183 K237 D238 L239	G183-N235 WeakPolarHBondContact CA-ND2 3.33Å; N235-K237 PolarHBondContact O-N 3.47Å; N235-K237 WeakPolarHBondContact OD1-CA 3.36Å; N235-K237 VanDerWaalsContact OD1-CB 3.24Å; N235-K237 WeakPolarHBondContact OD1-CB 3.11Å; N235-K237 PolarHBondContact OD1-N 2.69Å; N235-D238 PolarHBondContact N-OD2 3.14Å; N235-D238 PolarHBondContact O-N 3.29Å; N235-D238 VanDerWaalsContact O-N 3.14Å; N235-D238 PolarHBondContact OD1-N 3.16Å; N235-D238 VanDerWaalsContact OD1-N 3.13Å; N235-D238 PolarHBondContact OD1-OD2 2.96Å; N235-L239 WeakPolarHBondContact O-CG 3.41Å; N235-L239 PolarHBondContact O-N 3.12Å
236	D	98.6	Very high	97.6	Very high	122 Å²	122	48.6 Å²	48.6	65%	0.652	26%	0.257	S	S	*	.	H	α-helix	trans	-58.3	-34	-178.9	-69.5	-18.1	0	0	0	113.7	L239 Q240	D236-L239 PolarHBondContact O-N 3.18Å; D236-Q240 VanDerWaalsContact O-CG 3.27Å; D236-Q240 WeakPolarHBondContact O-CG 3.3Å; D236-Q240 PolarHBondContact O-N 3.32Å
237	K	98.5	Very high	97.8	Very high	69 Å²	69	50 Å²	50	30%	0.3	26%	0.262	S	S	.	.	H	α-helix	trans	-66.6	-44.1	177.7	-179.6	-174	-179.7	178.7	0	110.5	E210 N235 L239 Q240 M241	E210-K237 WeakPolarHBondContact OE1-CE 3.48Å; E210-K237 IonicContact OE1-NZ 2.71Å; E210-K237 PolarHBondContact OE1-NZ 3Å; N235-K237 PolarHBondContact O-N 3.47Å; N235-K237 WeakPolarHBondContact OD1-CA 3.36Å; N235-K237 VanDerWaalsContact OD1-CB 3.24Å; N235-K237 WeakPolarHBondContact OD1-CB 3.11Å; N235-K237 PolarHBondContact OD1-N 2.69Å; K237-L239 VanDerWaalsContact C-N 3.26Å; K237-L239 PolarHBondContact O-N 3.18Å; K237-Q240 WeakPolarHBondContact O-CB 3.49Å; K237-Q240 PolarHBondContact O-N 2.79Å; K237-Q240 VanDerWaalsContact O-N 3.08Å; K237-M241 HydrophobicContact CG-CG 4.38Å; K237-M241 WeakPolarHBondContact O-CG 3.15Å; K237-M241 PolarHBondContact O-N 2.67Å
238	D	98.8	Very high	98	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-39.9	179.8	-50.1	-35.6	0	0	0	110.2	G183 L184 Y214 W224 C234 N235 Q240 M241 L242	G183-D238 VanDerWaalsContact CA-OD2 3.32Å; G183-D238 WeakPolarHBondContact CA-OD2 3.47Å; L184-D238 HydrophobicContact CD1-CB 4.3Å; L184-D238 HydrophobicContact CG-CB 4.25Å; L184-D238 PolarHBondContact N-OD2 3.12Å; Y214-D238 WeakPolarHBondContact OH-CA 3.36Å; Y214-D238 WeakPolarHBondContact OH-CB 3.44Å; Y214-D238 PolarHBondContact OH-OD1 3.14Å; W224-D238 HydrophobicContact CZ2-CB 4.21Å; W224-D238 WeakPolarHBondContact CZ2-O 3.44Å; C234-D238 VanDerWaalsContact CA-OD2 3.25Å; C234-D238 WeakPolarHBondContact CA-OD2 3.35Å; C234-D238 HydrophobicContact CB-CB 3.97Å; N235-D238 PolarHBondContact N-OD2 3.14Å; N235-D238 PolarHBondContact O-N 3.29Å; N235-D238 VanDerWaalsContact O-N 3.14Å; N235-D238 PolarHBondContact OD1-N 3.16Å; N235-D238 VanDerWaalsContact OD1-N 3.13Å; N235-D238 PolarHBondContact OD1-OD2 2.96Å; D238-Q240 VanDerWaalsContact C-N 3.33Å; D238-Q240 PolarHBondContact O-N 3.43Å; D238-M241 PolarHBondContact O-N 2.67Å; D238-L242 PolarHBondContact O-N 3.37Å
239	L	97.6	Very high	98.1	Very high	93 Å²	93	44 Å²	44	49%	0.487	22%	0.223	S	C	.	.	H	α-helix	trans	-63.4	-36.6	174.2	-62.4	178.6	0	0	0	112.9	N235 D236 K237	N235-L239 WeakPolarHBondContact O-CG 3.41Å; N235-L239 PolarHBondContact O-N 3.12Å; D236-L239 PolarHBondContact O-N 3.18Å; K237-L239 VanDerWaalsContact C-N 3.26Å; K237-L239 PolarHBondContact O-N 3.18Å
240	Q	98.4	Very high	97.8	Very high	141 Å²	141	44 Å²	44	66%	0.659	22%	0.222	S	C	*	.	H	α-helix	trans	-72	-29.4	175.2	-70.8	169.4	19.3	0	0	112.8	D236 K237 D238 P243	D236-Q240 VanDerWaalsContact O-CG 3.27Å; D236-Q240 WeakPolarHBondContact O-CG 3.3Å; D236-Q240 PolarHBondContact O-N 3.32Å; K237-Q240 WeakPolarHBondContact O-CB 3.49Å; K237-Q240 PolarHBondContact O-N 2.79Å; K237-Q240 VanDerWaalsContact O-N 3.08Å; D238-Q240 VanDerWaalsContact C-N 3.33Å; D238-Q240 PolarHBondContact O-N 3.43Å; Q240-P243 WeakPolarHBondContact O-CD 3.21Å
241	M	98.6	Very high	97.5	Very high	13 Å²	13	44 Å²	44	6%	0.064	22%	0.222	C	C	.	.	H	α-helix	trans	-84.1	-23.1	178.7	-70.1	-66.3	177.6	0	0	113.2	E210 E211 Y214 K237 D238 P243 W244 V245	E210-M241 HydrophobicContact CB-CE 4.49Å; E210-M241 HydrophobicContact CG-CE 3.87Å; E211-M241 HydrophobicContact CB-SD 4.39Å; E211-M241 HydrophobicContact CG-CE 4.2Å; E211-M241 HydrophobicContact CG-SD 4.04Å; Y214-M241 HydrophobicContact CD1-CB 3.49Å; Y214-M241 VanDerWaalsContact CD1-CB 3.49Å; Y214-M241 HydrophobicContact CD1-CG 3.86Å; Y214-M241 HydrophobicContact CD1-SD 4.45Å; Y214-M241 HydrophobicContact CD2-CB 4.23Å; Y214-M241 HydrophobicContact CD2-CG 3.76Å; Y214-M241 HydrophobicContact CD2-SD 4.45Å; Y214-M241 HydrophobicContact CE1-CB 3.45Å; Y214-M241 VanDerWaalsContact CE1-CB 3.45Å; Y214-M241 HydrophobicContact CE1-CG 4.08Å; Y214-M241 HydrophobicContact CE2-CB 4.17Å; Y214-M241 HydrophobicContact CE2-CG 3.95Å; Y214-M241 HydrophobicContact CG-CB 3.91Å; Y214-M241 HydrophobicContact CG-CG 3.71Å; Y214-M241 HydrophobicContact CG-SD 4.08Å; K237-M241 HydrophobicContact CG-CG 4.38Å; K237-M241 WeakPolarHBondContact O-CG 3.15Å; K237-M241 PolarHBondContact O-N 2.67Å; D238-M241 PolarHBondContact O-N 2.67Å; M241-P243 VanDerWaalsContact C-CD 3.48Å; M241-W244 WeakPolarHBondContact O-CB 3.46Å; M241-W244 PolarHBondContact O-N 3.29Å; M241-V245 PolarHBondContact O-N 3.48Å; M241-V245 VanDerWaalsContact O-N 3.13Å
242	L	98.3	Very high	97.3	Very high	34 Å²	34	40.8 Å²	40.8	18%	0.178	20%	0.201	C	C	.	.	H	α-helix	trans	-51.7	-42.4	-179.1	-179.6	62.1	0	0	0	114.3	W224 H225 D238 W244 V245 K246	W224-L242 HydrophobicContact CD2-CD1 4.35Å; W224-L242 HydrophobicContact CH2-CB 4.23Å; W224-L242 HydrophobicContact CH2-CD1 4.08Å; W224-L242 HydrophobicContact CZ2-CB 3.9Å; W224-L242 HydrophobicContact CZ2-CD1 3.83Å; W224-L242 HydrophobicContact CZ2-CG 4.4Å; W224-L242 HydrophobicContact CZ3-CD1 4.46Å; H225-L242 HydrophobicContact CB-CD1 3.86Å; D238-L242 PolarHBondContact O-N 3.37Å; L242-W244 VanDerWaalsContact C-N 3.31Å; L242-W244 PolarHBondContact O-N 3.41Å; L242-V245 PolarHBondContact O-N 3.34Å; L242-K246 HydrophobicContact CD1-CD 4.22Å; L242-K246 HydrophobicContact CD1-CG 4.16Å; L242-K246 HydrophobicContact CG-CD 4.16Å; L242-K246 HydrophobicContact CG-CG 4.49Å; L242-K246 WeakPolarHBondContact O-CB 3.44Å; L242-K246 WeakPolarHBondContact O-CG 3.09Å; L242-K246 PolarHBondContact O-N 2.87Å
243	P	98.3	Very high	96.8	Very high	83 Å²	83	40.1 Å²	40.1	54%	0.539	20%	0.198	S	C	.	.	H	α-helix	trans	-61	-35.6	174.8	-24.1	35.5	0	0	0	113.8	Q240 M241 E247	Q240-P243 WeakPolarHBondContact O-CD 3.21Å; M241-P243 VanDerWaalsContact C-CD 3.48Å; P243-E247 WeakPolarHBondContact O-CB 3.28Å; P243-E247 PolarHBondContact O-N 3.23Å
244	W	98.5	Very high	96	Very high	79 Å²	79	40.9 Å²	40.9	30%	0.299	20%	0.201	S	C	.	.	H	α-helix	trans	-67.9	-47.7	177.2	-73.1	109.2	0	0	0	111.3	W114 E211 M215 M241 L242 K246 E247 F248	W114-W244 HydrophobicContact CH2-CE3 4.15Å; W114-W244 HydrophobicContact CH2-CH2 4.14Å; W114-W244 AromaticContact CH2-CZ3 3.74Å; W114-W244 HydrophobicContact CH2-CZ3 3.74Å; W114-W244 HydrophobicContact CZ2-CH2 4.1Å; W114-W244 HydrophobicContact CZ2-CZ3 4.06Å; E211-W244 HydrophobicContact CB-CD2 4.18Å; E211-W244 HydrophobicContact CB-CG 4.18Å; E211-W244 HydrophobicContact CG-CD2 4.16Å; E211-W244 HydrophobicContact CG-CG 4.14Å; E211-W244 HydrophobicContact CG-CZ2 4.37Å; M215-W244 HydrophobicContact CG-CB 4.08Å; M215-W244 VanDerWaalsContact SD-C 3.57Å; M215-W244 HydrophobicContact SD-CB 3.85Å; M215-W244 HydrophobicContact SD-CE3 4.46Å; M241-W244 WeakPolarHBondContact O-CB 3.46Å; M241-W244 PolarHBondContact O-N 3.29Å; L242-W244 VanDerWaalsContact C-N 3.31Å; L242-W244 PolarHBondContact O-N 3.41Å; W244-K246 VanDerWaalsContact C-N 3.32Å; W244-K246 PolarHBondContact O-N 3.37Å; W244-E247 WeakPolarHBondContact O-CB 3.39Å; W244-E247 PolarHBondContact O-N 2.9Å; W244-E247 VanDerWaalsContact O-N 3.12Å; W244-F248 PolarHBondContact O-N 3.36Å
245	V	98.4	Very high	95.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61	-43.2	177.2	-176.5	0	0	0	0	110.9	Y214 M215 W224 H225 M241 L242 E247 F248 N249	Y214-V245 HydrophobicContact CD1-CG2 3.88Å; Y214-V245 HydrophobicContact CE1-CG2 4.08Å; M215-V245 HydrophobicContact CG-CG2 4.2Å; W224-V245 HydrophobicContact CH2-CG2 4.18Å; W224-V245 HydrophobicContact CZ3-CB 4.26Å; W224-V245 HydrophobicContact CZ3-CG1 4.23Å; W224-V245 HydrophobicContact CZ3-CG2 3.95Å; H225-V245 HydrophobicContact CB-CG1 3.91Å; M241-V245 PolarHBondContact O-N 3.48Å; M241-V245 VanDerWaalsContact O-N 3.13Å; L242-V245 PolarHBondContact O-N 3.34Å; V245-E247 VanDerWaalsContact C-N 3.33Å; V245-E247 PolarHBondContact O-N 3.22Å; V245-F248 PolarHBondContact O-N 3.08Å; V245-N249 VanDerWaalsContact O-CB 3.31Å; V245-N249 WeakPolarHBondContact O-CB 3.31Å; V245-N249 PolarHBondContact O-N 2.92Å
246	K	96.6	Very high	94.5	Very high	68 Å²	68	40.2 Å²	40.2	30%	0.296	20%	0.197	S	C	.	.	H	α-helix	trans	-63.2	-37	174.4	-77.2	-179.1	169.6	177	0	113.2	H225 L242 W244 K250	H225-K246 WeakPolarHBondContact O-CE 3.39Å; L242-K246 HydrophobicContact CD1-CD 4.22Å; L242-K246 HydrophobicContact CD1-CG 4.16Å; L242-K246 HydrophobicContact CG-CD 4.16Å; L242-K246 HydrophobicContact CG-CG 4.49Å; L242-K246 WeakPolarHBondContact O-CB 3.44Å; L242-K246 WeakPolarHBondContact O-CG 3.09Å; L242-K246 PolarHBondContact O-N 2.87Å; W244-K246 VanDerWaalsContact C-N 3.32Å; W244-K246 PolarHBondContact O-N 3.37Å; K246-K250 WeakPolarHBondContact O-CG 3.32Å
247	E	97.1	Very high	93.7	Very high	43 Å²	43	36.4 Å²	36.4	20%	0.201	18%	0.178	C	C	.	.	H	α-helix	trans	-66.6	-47.3	176.8	-175.8	62.1	-166.1	0	0	110.7	H109 F115 P243 W244 V245 K250 F251	H109-E247 IonicContact CD2-OE1 3.93Å; H109-E247 IonicContact CE1-OE1 3.97Å; H109-E247 PolarHBondContact CE1-OE1 2.99Å; H109-E247 IonicContact NE2-OE1 2.83Å; H109-E247 PolarHBondContact NE2-OE1 3.49Å; F115-E247 HydrophobicContact CE1-CG 4.1Å; F115-E247 HydrophobicContact CZ-CG 4.17Å; P243-E247 WeakPolarHBondContact O-CB 3.28Å; P243-E247 PolarHBondContact O-N 3.23Å; W244-E247 WeakPolarHBondContact O-CB 3.39Å; W244-E247 PolarHBondContact O-N 2.9Å; W244-E247 VanDerWaalsContact O-N 3.12Å; V245-E247 VanDerWaalsContact C-N 3.33Å; V245-E247 PolarHBondContact O-N 3.22Å; E247-K250 WeakPolarHBondContact O-CB 3.24Å; E247-K250 PolarHBondContact O-N 2.87Å; E247-K250 IonicContact OE2-NZ 3.03Å; E247-K250 PolarHBondContact OE2-NZ 2.62Å; E247-F251 HydrophobicContact CG-CE2 4.21Å; E247-F251 WeakPolarHBondContact O-CD2 3.25Å; E247-F251 WeakPolarHBondContact O-CE2 3.49Å
248	F	98	Very high	92.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.8	-47.7	175.4	174.9	-99.3	0	0	0	112.8	T101 I105 F115 V118 H122 M215 H219 W244 V245 K250 F251 D252	T101-F248 HydrophobicContact CG2-CE2 4.11Å; T101-F248 HydrophobicContact CG2-CZ 4.36Å; I105-F248 HydrophobicContact CD1-CD2 3.96Å; I105-F248 HydrophobicContact CD1-CE2 4.11Å; F115-F248 HydrophobicContact CE2-CB 3.94Å; F115-F248 AromaticContact CE2-CD2 3.81Å; F115-F248 HydrophobicContact CE2-CD2 3.81Å; F115-F248 HydrophobicContact CE2-CG 4.37Å; F115-F248 HydrophobicContact CZ-CB 4.12Å; V118-F248 HydrophobicContact CG1-CD2 4.06Å; V118-F248 HydrophobicContact CG1-CE2 3.94Å; H122-F248 HydrophobicContact CB-CE1 4.34Å; H122-F248 HydrophobicContact CB-CE2 4.22Å; H122-F248 HydrophobicContact CB-CZ 3.54Å; H122-F248 AromaticContact CD2-CZ 3.8Å; H122-F248 AromaticContact CG-CZ 3.47Å; H122-F248 VanDerWaalsContact CG-CZ 3.47Å; H122-F248 AromaticContact ND1-CZ 3.87Å; M215-F248 HydrophobicContact CB-CB 4.44Å; M215-F248 HydrophobicContact CB-CG 4.43Å; M215-F248 HydrophobicContact CG-CB 4.21Å; M215-F248 HydrophobicContact SD-CB 3.57Å; M215-F248 VanDerWaalsContact SD-CB 3.57Å; M215-F248 HydrophobicContact SD-CG 4.33Å; H219-F248 HydrophobicContact CB-CD1 3.69Å; H219-F248 HydrophobicContact CB-CE1 3.46Å; H219-F248 VanDerWaalsContact CB-CE1 3.46Å; H219-F248 AromaticContact CD2-CE1 3.97Å; H219-F248 AromaticContact CG-CE1 3.86Å; W244-F248 PolarHBondContact O-N 3.36Å; V245-F248 PolarHBondContact O-N 3.08Å; F248-K250 PolarHBondContact O-N 3.19Å; F248-K250 VanDerWaalsContact O-N 3.08Å; F248-F251 PolarHBondContact O-N 3.37Å; F248-D252 HydrophobicContact CD1-CB 4.43Å; F248-D252 HydrophobicContact CE1-CB 3.81Å; F248-D252 HydrophobicContact CZ-CB 4.06Å; F248-D252 PolarHBondContact O-N 3.44Å; F248-D252 VanDerWaalsContact O-N 3.11Å
249	N	95.3	Very high	92.2	Very high	2 Å²	2	45 Å²	45	1%	0.011	23%	0.232	C	C	.	.	H	α-helix	trans	-57.1	-28.6	-176.8	-175.3	61.7	0	0	0	113.3	Y222 V245 F251 L253	Y222-N249 PolarHBondContact OH-OD1 3.25Å; V245-N249 VanDerWaalsContact O-CB 3.31Å; V245-N249 WeakPolarHBondContact O-CB 3.31Å; V245-N249 PolarHBondContact O-N 2.92Å; N249-F251 VanDerWaalsContact C-N 3.28Å; N249-F251 PolarHBondContact O-N 3.39Å; N249-L253 VanDerWaalsContact O-CB 3.25Å; N249-L253 WeakPolarHBondContact O-CB 3.37Å; N249-L253 PolarHBondContact O-N 2.57Å
250	K	91.4	Very high	91.8	Very high	39 Å²	39	44.3 Å²	44.3	17%	0.17	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-40.4	174.2	-68.4	162	-178.7	179.6	0	112	Y14 K246 E247 F248 Y254	Y14-K250 HydrophobicContact CD1-CB 3.86Å; Y14-K250 HydrophobicContact CG-CB 4.2Å; Y14-K250 HydrophobicContact CG-CD 4.3Å; K246-K250 WeakPolarHBondContact O-CG 3.32Å; E247-K250 WeakPolarHBondContact O-CB 3.24Å; E247-K250 PolarHBondContact O-N 2.87Å; E247-K250 IonicContact OE2-NZ 3.03Å; E247-K250 PolarHBondContact OE2-NZ 2.62Å; F248-K250 PolarHBondContact O-N 3.19Å; F248-K250 VanDerWaalsContact O-N 3.08Å; K250-Y254 WeakPolarHBondContact O-CB 3.23Å; K250-Y254 VanDerWaalsContact O-CD2 3.23Å; K250-Y254 WeakPolarHBondContact O-CD2 3.42Å; K250-Y254 PolarHBondContact O-N 3.37Å; K250-Y254 VanDerWaalsContact O-N 3.07Å
251	F	93.7	Very high	91.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-78.6	-49.6	-178.7	-58.4	-78.9	0	0	0	110.2	Y14 T101 G104 I105 E108 H109 F115 E247 F248 N249 L253 Y254 T255	Y14-F251 HydrophobicContact CD1-CD1 4.23Å; Y14-F251 HydrophobicContact CD1-CE1 4.05Å; Y14-F251 HydrophobicContact CD1-CZ 4.48Å; Y14-F251 AromaticContact CE1-CD1 3.48Å; Y14-F251 HydrophobicContact CE1-CD1 3.48Å; Y14-F251 VanDerWaalsContact CE1-CD1 3.48Å; Y14-F251 AromaticContact CE1-CE1 3.25Å; Y14-F251 HydrophobicContact CE1-CE1 3.25Å; Y14-F251 HydrophobicContact CE1-CG 4.43Å; Y14-F251 HydrophobicContact CE1-CZ 4.04Å; Y14-F251 HydrophobicContact CE2-CE1 4.16Å; Y14-F251 HydrophobicContact CE2-CZ 4.47Å; Y14-F251 AromaticContact CZ-CE1 3.34Å; Y14-F251 WeakPolarHBondContact OH-CE1 3.33Å; T101-F251 HydrophobicContact CG2-CB 4.07Å; G104-F251 VanDerWaalsContact C-CD1 3.4Å; G104-F251 VanDerWaalsContact O-CE1 3.3Å; G104-F251 WeakPolarHBondContact O-CE1 3.43Å; I105-F251 HydrophobicContact CB-CG 4.46Å; I105-F251 HydrophobicContact CD1-CB 4.22Å; I105-F251 HydrophobicContact CD1-CD2 4.34Å; I105-F251 HydrophobicContact CD1-CG 4.38Å; I105-F251 HydrophobicContact CG1-CB 3.63Å; I105-F251 HydrophobicContact CG1-CD1 3.93Å; I105-F251 HydrophobicContact CG1-CD2 3.5Å; I105-F251 HydrophobicContact CG1-CE1 4.46Å; I105-F251 HydrophobicContact CG1-CE2 4.12Å; I105-F251 HydrophobicContact CG1-CG 3.4Å; E108-F251 HydrophobicContact CB-CE1 4.05Å; E108-F251 HydrophobicContact CB-CZ 3.9Å; E108-F251 HydrophobicContact CG-CE1 3.68Å; E108-F251 HydrophobicContact CG-CZ 3.93Å; H109-F251 AromaticContact CD2-CE2 3.91Å; H109-F251 AromaticContact CD2-CZ 3.67Å; H109-F251 AromaticContact NE2-CE2 3.85Å; H109-F251 AromaticContact NE2-CZ 3.74Å; F115-F251 HydrophobicContact CE1-CE2 4.32Å; F115-F251 HydrophobicContact CZ-CD2 4.47Å; F115-F251 HydrophobicContact CZ-CE2 4.45Å; E247-F251 HydrophobicContact CG-CE2 4.21Å; E247-F251 WeakPolarHBondContact O-CD2 3.25Å; E247-F251 WeakPolarHBondContact O-CE2 3.49Å; F248-F251 PolarHBondContact O-N 3.37Å; N249-F251 VanDerWaalsContact C-N 3.28Å; N249-F251 PolarHBondContact O-N 3.39Å; F251-L253 VanDerWaalsContact C-N 3.27Å; F251-L253 PolarHBondContact O-N 2.99Å; F251-Y254 PolarHBondContact O-N 3.47Å; F251-T255 HydrophobicContact CB-CG2 4.34Å; F251-T255 WeakPolarHBondContact O-CB 3.42Å; F251-T255 VanDerWaalsContact O-CG2 3.24Å; F251-T255 WeakPolarHBondContact O-CG2 3.33Å; F251-T255 PolarHBondContact O-N 3.45Å; F251-T255 VanDerWaalsContact O-N 3.1Å; F251-T255 PolarHBondContact O-OG1 2.93Å
252	D	93.2	Very high	91.2	Very high	10 Å²	10	42.2 Å²	42.2	5%	0.053	22%	0.224	C	C	.	.	H	α-helix	trans	-50.6	-49.2	175.3	175	25.9	0	0	0	111	H97 T101 H122 H219 F248 K256	H97-D252 PolarHBondContact CE1-O 3.5Å; H97-D252 IonicContact CE1-OD1 3.18Å; H97-D252 PolarHBondContact CE1-OD1 3.45Å; H97-D252 IonicContact NE2-OD1 2.67Å; H97-D252 PolarHBondContact NE2-OD1 3.1Å; T101-D252 HydrophobicContact CG2-CB 4.45Å; H122-D252 IonicContact NE2-OD1 3.99Å; H122-D252 PolarHBondContact NE2-OD1 3.32Å; H219-D252 IonicContact CD2-OD2 2.68Å; F248-D252 HydrophobicContact CD1-CB 4.43Å; F248-D252 HydrophobicContact CE1-CB 3.81Å; F248-D252 HydrophobicContact CZ-CB 4.06Å; F248-D252 PolarHBondContact O-N 3.44Å; F248-D252 VanDerWaalsContact O-N 3.11Å; D252-K256 VanDerWaalsContact O-CE 3.24Å; D252-K256 WeakPolarHBondContact O-CE 3.35Å
253	L	87.5	Confident	91	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-74.7	-49.5	-177.8	-174.4	54.8	0	0	0	114.1	Y27 R28 N249 F251	Y27-L253 HydrophobicContact CD1-CD1 3.96Å; Y27-L253 HydrophobicContact CD1-CG 4.26Å; Y27-L253 WeakPolarHBondContact CE1-O 3.36Å; R28-L253 HydrophobicContact CG-CD1 3.51Å; R28-L253 HydrophobicContact CG-CD2 4.02Å; R28-L253 HydrophobicContact CG-CG 4.42Å; N249-L253 VanDerWaalsContact O-CB 3.25Å; N249-L253 WeakPolarHBondContact O-CB 3.37Å; N249-L253 PolarHBondContact O-N 2.57Å; F251-L253 VanDerWaalsContact C-N 3.27Å; F251-L253 PolarHBondContact O-N 2.99Å
254	Y	82.6	Confident	90.9	Very high	16 Å²	16	42.5 Å²	42.5	6%	0.063	22%	0.222	C	C	.	.	H	α-helix	trans	-98.2	2.6	-164.7	-55.5	-54.8	0	0	0	115.5	S11 L12 Y14 R15 Y27 K250 F251	S11-Y254 VanDerWaalsContact C-CE2 3.43Å; S11-Y254 WeakPolarHBondContact O-CE2 3.27Å; S11-Y254 PolarHBondContact OG-OH 3.1Å; L12-Y254 WeakPolarHBondContact CD2-OH 3.24Å; Y14-Y254 WeakPolarHBondContact O-CD2 3.46Å; R15-Y254 HydrophobicContact CG-CD2 4.38Å; R15-Y254 HydrophobicContact CG-CG 4.19Å; Y27-Y254 HydrophobicContact CD1-CD1 4.21Å; Y27-Y254 HydrophobicContact CE1-CD1 4.46Å; Y27-Y254 HydrophobicContact CG-CD1 4.23Å; Y27-Y254 HydrophobicContact CG-CE1 4.25Å; K250-Y254 WeakPolarHBondContact O-CB 3.23Å; K250-Y254 VanDerWaalsContact O-CD2 3.23Å; K250-Y254 WeakPolarHBondContact O-CD2 3.42Å; K250-Y254 PolarHBondContact O-N 3.37Å; K250-Y254 VanDerWaalsContact O-N 3.07Å; F251-Y254 PolarHBondContact O-N 3.47Å
255	T	82.8	Confident	90.8	Very high	15 Å²	15	45.8 Å²	45.8	9%	0.092	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-11	169.4	62	0	0	0	0	113.1	Q100 T101 F251 T257	Q100-T255 PolarHBondContact OE1-O 2.76Å; T101-T255 WeakPolarHBondContact CA-OG1 3.45Å; T101-T255 PolarHBondContact N-OG1 2.82Å; F251-T255 HydrophobicContact CB-CG2 4.34Å; F251-T255 WeakPolarHBondContact O-CB 3.42Å; F251-T255 VanDerWaalsContact O-CG2 3.24Å; F251-T255 WeakPolarHBondContact O-CG2 3.33Å; F251-T255 PolarHBondContact O-N 3.45Å; F251-T255 VanDerWaalsContact O-N 3.1Å; F251-T255 PolarHBondContact O-OG1 2.93Å; T255-T257 PolarHBondContact O-N 3.47Å
256	K	82.1	Confident	90.8	Very high	14 Å²	14	46.9 Å²	46.9	6%	0.061	25%	0.246	C	C	.	.			trans	-59.8	115.9	178.8	-71.6	177.2	-171.7	-179.3	0	110.2	Y27 D87 D89 V90 H97 D252	Y27-K256 HydrophobicContact CE1-CB 4.24Å; Y27-K256 PolarHBondContact OH-O 3.47Å; D87-K256 IonicContact OD1-NZ 3.92Å; D87-K256 WeakPolarHBondContact OD2-CE 3.48Å; D87-K256 IonicContact OD2-NZ 3.86Å; D87-K256 PolarHBondContact OD2-NZ 3.27Å; D89-K256 HydrophobicContact CB-CD 4.33Å; V90-K256 HydrophobicContact CG1-CB 3.64Å; V90-K256 HydrophobicContact CG1-CD 4.01Å; V90-K256 HydrophobicContact CG1-CG 3.97Å; V90-K256 HydrophobicContact CG2-CD 4.43Å; H97-K256 VanDerWaalsContact CE1-CE 3.4Å; H97-K256 WeakPolarHBondContact CE1-CE 3.39Å; D252-K256 VanDerWaalsContact O-CE 3.24Å; D252-K256 WeakPolarHBondContact O-CE 3.35Å
257	T	82.9	Confident	90.8	Very high	42 Å²	42	47.6 Å²	47.6	26%	0.258	25%	0.247	S	C	.	.			trans	-150.3	155.1	179.1	179.3	0	0	0	0	110.8	F92 Q100 T255 D259	F92-T257 VanDerWaalsContact CE1-O 3.28Å; F92-T257 WeakPolarHBondContact CE1-O 3.4Å; Q100-T257 VanDerWaalsContact NE2-CG2 3.3Å; Q100-T257 PolarHBondContact NE2-O 3.11Å; T255-T257 PolarHBondContact O-N 3.47Å; T257-D259 HydrophobicContact CG2-CB 4.11Å; T257-D259 WeakPolarHBondContact CG2-O 3.36Å; T257-D259 PolarHBondContact O-N 3.43Å; T257-D259 PolarHBondContact OG1-N 3.07Å
258	T	80.1	Confident	90.9	Very high	119 Å²	119	49.8 Å²	49.8	73%	0.73	27%	0.265	S	S	*	.	S	Bend	trans	-71.2	-14.7	172.7	53.4	0	0	0	0	112.9	L260	T258-L260 PolarHBondContact O-N 2.96Å; T258-L260 VanDerWaalsContact O-N 3.13Å
259	D	85.1	Confident	90.9	Very high	131 Å²	131	52.8 Å²	52.8	70%	0.701	28%	0.277	S	S	*	.	S	Bend	trans	-78.1	93.6	174.3	-67.2	-25.8	0	0	0	109.9	Q100 T257	Q100-D259 PolarHBondContact NE2-O 2.94Å; T257-D259 HydrophobicContact CG2-CB 4.11Å; T257-D259 WeakPolarHBondContact CG2-O 3.36Å; T257-D259 PolarHBondContact O-N 3.43Å; T257-D259 PolarHBondContact OG1-N 3.07Å
260	L	89.1	Confident	91.1	Very high	79 Å²	79	52.7 Å²	52.7	41%	0.414	28%	0.276	S	S	.	.			trans	-75.9	137.9	-174	-55.5	-177.6	0	0	0	111.9	F92 F96 T258	F92-L260 HydrophobicContact CD1-CD2 4.36Å; F92-L260 HydrophobicContact CD2-CD2 4.11Å; F92-L260 HydrophobicContact CE2-CD2 4.3Å; F92-L260 HydrophobicContact CG-CD2 4.15Å; F96-L260 HydrophobicContact CB-CD2 3.89Å; F96-L260 HydrophobicContact CD1-CB 3.89Å; F96-L260 HydrophobicContact CD1-CD1 4.1Å; F96-L260 HydrophobicContact CD1-CD2 4.25Å; F96-L260 HydrophobicContact CD1-CG 4.3Å; F96-L260 HydrophobicContact CD2-CD1 4.09Å; F96-L260 HydrophobicContact CD2-CD2 4.43Å; F96-L260 HydrophobicContact CE1-CB 4.14Å; F96-L260 HydrophobicContact CE1-CD1 4.05Å; F96-L260 HydrophobicContact CE2-CD1 4.05Å; F96-L260 HydrophobicContact CG-CB 4.45Å; F96-L260 HydrophobicContact CG-CD1 4.12Å; F96-L260 HydrophobicContact CG-CD2 3.95Å; F96-L260 HydrophobicContact CG-CG 4.4Å; F96-L260 HydrophobicContact CZ-CD1 4.03Å; T258-L260 PolarHBondContact O-N 2.96Å; T258-L260 VanDerWaalsContact O-N 3.13Å
261	P	90.3	Very high	91.5	Very high	29 Å²	29	53.7 Å²	53.7	19%	0.188	28%	0.281	C	S	.	.			trans	-70.3	155.1	178.8	28.8	-34.8	0	0	0	112.4	F99 Q100 V263 L266	F99-P261 HydrophobicContact CB-CG 3.74Å; Q100-P261 HydrophobicContact CG-CG 4.21Å; P261-V263 PolarHBondContact O-N 2.86Å; P261-L266 HydrophobicContact CB-CD1 3.78Å
262	N	94.2	Very high	91.7	Very high	80 Å²	80	56.5 Å²	56.5	43%	0.428	30%	0.301	S	S	.	.			trans	-76.4	88.1	170.4	-171.7	-14.8	0	0	0	110.5	D264 E265 L266	N262-D264 VanDerWaalsContact C-N 3.26Å; N262-D264 PolarHBondContact O-N 3.27Å; N262-D264 PolarHBondContact OD1-N 3.06Å; N262-E265 HydrophobicContact CB-CB 4.35Å; N262-E265 HydrophobicContact CB-CG 4.43Å; N262-E265 WeakPolarHBondContact ND2-CG 3.37Å; N262-E265 PolarHBondContact ND2-OE1 3.28Å; N262-E265 PolarHBondContact O-N 2.95Å; N262-L266 WeakPolarHBondContact O-CG 3.29Å; N262-L266 PolarHBondContact O-N 3.17Å
263	V	94.4	Very high	92	Very high	18 Å²	18	56.3 Å²	56.3	11%	0.109	30%	0.3	C	S	.	.	H	α-helix	trans	-57.2	-37.2	-175.8	176	0	0	0	0	112.5	M77 F96 F99 P261 E265 L266 R267	M77-V263 HydrophobicContact CE-CG1 4.02Å; M77-V263 HydrophobicContact SD-CG1 4.21Å; F96-V263 HydrophobicContact CD1-CG2 3.98Å; F96-V263 HydrophobicContact CE1-CG2 3.91Å; F99-V263 HydrophobicContact CD2-CG1 4.19Å; F99-V263 HydrophobicContact CD2-CG2 3.94Å; F99-V263 HydrophobicContact CE1-CG1 4.3Å; F99-V263 HydrophobicContact CE2-CG1 3.71Å; F99-V263 HydrophobicContact CE2-CG2 4.28Å; F99-V263 HydrophobicContact CG-CG2 4.31Å; F99-V263 HydrophobicContact CZ-CG1 3.75Å; P261-V263 PolarHBondContact O-N 2.86Å; V263-E265 VanDerWaalsContact C-N 3.31Å; V263-E265 PolarHBondContact O-N 2.92Å; V263-L266 PolarHBondContact O-N 3.45Å; V263-R267 WeakPolarHBondContact O-CB 3.42Å; V263-R267 PolarHBondContact O-N 3.2Å
264	D	95.4	Very high	92.5	Very high	106 Å²	106	56.3 Å²	56.3	57%	0.567	30%	0.3	S	S	*	.	H	α-helix	trans	-65.8	-33.6	-178.1	-74	-30.8	0	0	0	112.5	N262 R267 P268	N262-D264 VanDerWaalsContact C-N 3.26Å; N262-D264 PolarHBondContact O-N 3.27Å; N262-D264 PolarHBondContact OD1-N 3.06Å; D264-R267 IonicContact OD1-CZ 3.89Å; D264-R267 IonicContact OD1-NH1 3.3Å; D264-R267 PolarHBondContact OD1-NH1 3.18Å; D264-R267 IonicContact OD1-NH2 3.91Å; D264-R267 PolarHBondContact OD1-NH2 3.11Å; D264-P268 WeakPolarHBondContact O-CD 3.34Å
265	E	97.5	Very high	93.3	Very high	148 Å²	148	59.9 Å²	59.9	69%	0.692	32%	0.32	S	S	*	.	H	α-helix	trans	-74.7	-32.3	174.6	-72.5	177.5	-173	0	0	112.4	N262 V263 P268	N262-E265 HydrophobicContact CB-CB 4.35Å; N262-E265 HydrophobicContact CB-CG 4.43Å; N262-E265 WeakPolarHBondContact ND2-CG 3.37Å; N262-E265 PolarHBondContact ND2-OE1 3.28Å; N262-E265 PolarHBondContact O-N 2.95Å; V263-E265 VanDerWaalsContact C-N 3.31Å; V263-E265 PolarHBondContact O-N 2.92Å; E265-P268 WeakPolarHBondContact O-CD 3.46Å
266	L	97.9	Very high	94	Very high	23 Å²	23	64.6 Å²	64.6	12%	0.12	34%	0.339	C	S	.	.	H	α-helix	trans	-81.3	-31.3	-178.8	-64.8	-178.8	0	0	0	112.9	F99 E103 P261 N262 V263 P268 Y269 Y270	F99-L266 HydrophobicContact CB-CD1 4.23Å; F99-L266 HydrophobicContact CD1-CB 3.93Å; F99-L266 HydrophobicContact CD1-CD1 3.94Å; F99-L266 HydrophobicContact CE1-CB 4.13Å; F99-L266 HydrophobicContact CG-CD1 4.43Å; E103-L266 HydrophobicContact CG-CD1 3.69Å; E103-L266 HydrophobicContact CG-CD2 4.12Å; P261-L266 HydrophobicContact CB-CD1 3.78Å; N262-L266 WeakPolarHBondContact O-CG 3.29Å; N262-L266 PolarHBondContact O-N 3.17Å; V263-L266 PolarHBondContact O-N 3.45Å; L266-P268 VanDerWaalsContact C-CD 3.47Å; L266-Y269 WeakPolarHBondContact O-CB 3.46Å; L266-Y269 PolarHBondContact O-N 3.35Å; L266-Y269 VanDerWaalsContact O-N 3.08Å; L266-Y270 HydrophobicContact CB-CD2 3.95Å; L266-Y270 HydrophobicContact CB-CE2 4.01Å; L266-Y270 HydrophobicContact CD1-CE2 4.44Å; L266-Y270 HydrophobicContact CD2-CE2 4.47Å; L266-Y270 WeakPolarHBondContact O-CD2 3.42Å; L266-Y270 PolarHBondContact O-N 3.05Å
267	R	97.3	Very high	94.8	Very high	83 Å²	83	65 Å²	65	31%	0.313	34%	0.34	S	S	.	.	H	α-helix	trans	-52.3	-44.8	-173.3	-165	-178.6	-62.9	124.6	5	113.7	M73 V263 D264 Y269 Y270 Q271	M73-R267 HydrophobicContact CE-CG 3.79Å; M73-R267 HydrophobicContact CG-CG 4.25Å; M73-R267 HydrophobicContact SD-CG 3.89Å; V263-R267 WeakPolarHBondContact O-CB 3.42Å; V263-R267 PolarHBondContact O-N 3.2Å; D264-R267 IonicContact OD1-CZ 3.89Å; D264-R267 IonicContact OD1-NH1 3.3Å; D264-R267 PolarHBondContact OD1-NH1 3.18Å; D264-R267 IonicContact OD1-NH2 3.91Å; D264-R267 PolarHBondContact OD1-NH2 3.11Å; R267-Y269 VanDerWaalsContact C-N 3.31Å; R267-Y269 PolarHBondContact O-N 2.74Å; R267-Y270 PolarHBondContact O-N 3.25Å; R267-Q271 VanDerWaalsContact O-CB 3.25Å; R267-Q271 WeakPolarHBondContact O-CB 3.43Å; R267-Q271 PolarHBondContact O-N 2.84Å
268	P	98.6	Very high	95.5	Very high	89 Å²	89	63 Å²	63	58%	0.578	33%	0.329	S	S	*	.	H	α-helix	trans	-61.2	-38.4	179.8	-23.9	35.2	0	0	0	113.3	D264 E265 L266 S272	D264-P268 WeakPolarHBondContact O-CD 3.34Å; E265-P268 WeakPolarHBondContact O-CD 3.46Å; L266-P268 VanDerWaalsContact C-CD 3.47Å; P268-S272 PolarHBondContact O-N 3.3Å
269	Y	98.7	Very high	96.4	Very high	63 Å²	63	61.1 Å²	61.1	25%	0.247	32%	0.318	C	S	.	.	H	α-helix	trans	-65	-52.4	177.5	175.2	-105.2	0	0	0	110.9	R106 Q116 L266 R267 Q271 S272 L273	R106-Y269 VanDerWaalsContact NH1-CD1 3.3Å; Q116-Y269 PolarHBondContact OE1-OH 3.39Å; L266-Y269 WeakPolarHBondContact O-CB 3.46Å; L266-Y269 PolarHBondContact O-N 3.35Å; L266-Y269 VanDerWaalsContact O-N 3.08Å; R267-Y269 VanDerWaalsContact C-N 3.31Å; R267-Y269 PolarHBondContact O-N 2.74Å; Y269-Q271 VanDerWaalsContact C-N 3.35Å; Y269-Q271 PolarHBondContact O-N 2.83Å; Y269-S272 WeakPolarHBondContact O-CB 3.5Å; Y269-S272 PolarHBondContact O-N 2.78Å; Y269-S272 VanDerWaalsContact O-N 3.09Å; Y269-S272 PolarHBondContact O-OG 3.37Å; Y269-L273 HydrophobicContact CE1-CD1 3.8Å; Y269-L273 HydrophobicContact CE1-CG 4.37Å; Y269-L273 PolarHBondContact O-N 3.01Å
270	Y	98.7	Very high	97	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-68.5	-32.7	-177.8	-75.7	-65.5	0	0	0	113.5	F99 A102 E103 L120 L266 R267 S272 L273 I274	F99-Y270 AromaticContact CD1-CD2 3.76Å; F99-Y270 HydrophobicContact CD1-CD2 3.76Å; F99-Y270 AromaticContact CD1-CE2 3.94Å; F99-Y270 HydrophobicContact CD1-CE2 3.94Å; F99-Y270 AromaticContact CE1-CD2 3.67Å; F99-Y270 HydrophobicContact CE1-CD2 3.67Å; F99-Y270 HydrophobicContact CE1-CE2 4.33Å; F99-Y270 HydrophobicContact CE1-CG 4.25Å; A102-Y270 HydrophobicContact CB-CD1 4.42Å; A102-Y270 HydrophobicContact CB-CE1 3.48Å; A102-Y270 VanDerWaalsContact CB-CE1 3.48Å; A102-Y270 HydrophobicContact CB-CE2 4.42Å; A102-Y270 VanDerWaalsContact CB-CZ 3.48Å; A102-Y270 VanDerWaalsContact CB-OH 3.31Å; A102-Y270 WeakPolarHBondContact CB-OH 3.28Å; A102-Y270 PolarHBondContact O-OH 2.79Å; E103-Y270 HydrophobicContact CG-CE2 4.4Å; E103-Y270 PolarHBondContact N-OH 3.38Å; E103-Y270 WeakPolarHBondContact OE1-CE2 3.36Å; E103-Y270 VanDerWaalsContact OE1-CZ 3.31Å; E103-Y270 PolarHBondContact OE1-OH 2.88Å; L120-Y270 HydrophobicContact CB-CD1 4.26Å; L120-Y270 HydrophobicContact CD1-CD1 4.35Å; L120-Y270 HydrophobicContact CD1-CG 4.27Å; L120-Y270 HydrophobicContact CD2-CD1 3.77Å; L120-Y270 HydrophobicContact CD2-CG 3.87Å; L120-Y270 HydrophobicContact CG-CD1 4.36Å; L266-Y270 HydrophobicContact CB-CD2 3.95Å; L266-Y270 HydrophobicContact CB-CE2 4.01Å; L266-Y270 HydrophobicContact CD1-CE2 4.44Å; L266-Y270 HydrophobicContact CD2-CE2 4.47Å; L266-Y270 WeakPolarHBondContact O-CD2 3.42Å; L266-Y270 PolarHBondContact O-N 3.05Å; R267-Y270 PolarHBondContact O-N 3.25Å; Y270-S272 VanDerWaalsContact C-N 3.26Å; Y270-S272 PolarHBondContact O-N 3.49Å; Y270-L273 HydrophobicContact CD1-CD1 4.12Å; Y270-L273 HydrophobicContact CE1-CD1 4.38Å; Y270-L273 PolarHBondContact O-N 2.88Å; Y270-L273 VanDerWaalsContact O-N 3.12Å; Y270-I274 WeakPolarHBondContact O-CG1 3.43Å; Y270-I274 PolarHBondContact O-N 3.27Å
271	Q	98.7	Very high	97.4	Very high	59 Å²	59	57.7 Å²	57.7	28%	0.276	31%	0.314	S	S	.	.	H	α-helix	trans	-59.2	-39.3	170.9	-173.2	60.2	53.9	0	0	111.2	R267 Y269 L273 I274 D275	R267-Q271 VanDerWaalsContact O-CB 3.25Å; R267-Q271 WeakPolarHBondContact O-CB 3.43Å; R267-Q271 PolarHBondContact O-N 2.84Å; Y269-Q271 VanDerWaalsContact C-N 3.35Å; Y269-Q271 PolarHBondContact O-N 2.83Å; Q271-L273 VanDerWaalsContact C-N 3.27Å; Q271-L273 PolarHBondContact O-N 2.75Å; Q271-I274 WeakPolarHBondContact O-CB 3.3Å; Q271-I274 PolarHBondContact O-N 3.28Å; Q271-D275 PolarHBondContact NE2-OD1 3.19Å; Q271-D275 PolarHBondContact O-N 2.96Å
272	S	98.8	Very high	97.8	Very high	60 Å²	60	56.6 Å²	56.6	42%	0.42	31%	0.307	S	S	.	.	H	α-helix	trans	-64	-31.4	176.6	80.7	0	0	0	0	113.3	P268 Y269 Y270 K276	P268-S272 PolarHBondContact O-N 3.3Å; Y269-S272 WeakPolarHBondContact O-CB 3.5Å; Y269-S272 PolarHBondContact O-N 2.78Å; Y269-S272 VanDerWaalsContact O-N 3.09Å; Y269-S272 PolarHBondContact O-OG 3.37Å; Y270-S272 VanDerWaalsContact C-N 3.26Å; Y270-S272 PolarHBondContact O-N 3.49Å; S272-K276 WeakPolarHBondContact O-CB 2.91Å; S272-K276 PolarHBondContact O-N 3.18Å
273	L	98.8	Very high	98	Very high	6 Å²	6	56.8 Å²	56.8	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-73.3	-41.4	173.6	-57.8	-172.7	0	0	0	111.3	D113 Q116 L117 Y269 Y270 Q271 D275 K276 Y277	D113-L273 HydrophobicContact CB-CD2 3.83Å; Q116-L273 HydrophobicContact CB-CD1 4.2Å; L117-L273 HydrophobicContact CB-CB 4.26Å; L117-L273 HydrophobicContact CB-CD1 4.33Å; L117-L273 HydrophobicContact CD1-CB 4.2Å; Y269-L273 HydrophobicContact CE1-CD1 3.8Å; Y269-L273 HydrophobicContact CE1-CG 4.37Å; Y269-L273 PolarHBondContact O-N 3.01Å; Y270-L273 HydrophobicContact CD1-CD1 4.12Å; Y270-L273 HydrophobicContact CE1-CD1 4.38Å; Y270-L273 PolarHBondContact O-N 2.88Å; Y270-L273 VanDerWaalsContact O-N 3.12Å; Q271-L273 VanDerWaalsContact C-N 3.27Å; Q271-L273 PolarHBondContact O-N 2.75Å; L273-D275 VanDerWaalsContact C-N 3.32Å; L273-D275 PolarHBondContact O-N 3.25Å; L273-K276 WeakPolarHBondContact O-CB 3.35Å; L273-K276 PolarHBondContact O-N 3.43Å; L273-K276 VanDerWaalsContact O-N 3.14Å; L273-Y277 VanDerWaalsContact O-CD2 3.27Å; L273-Y277 WeakPolarHBondContact O-CD2 3.41Å; L273-Y277 PolarHBondContact O-N 3.03Å
274	I	98.8	Very high	98.2	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.015	30%	0.3	C	S	.	.	H	α-helix	trans	-57.8	-47.3	173.2	-69.7	167.5	0	0	0	110	M72 M73 I76 L117 L120 Y270 Q271 K276 Y277 C278	M72-I274 HydrophobicContact CB-CD1 4.02Å; M72-I274 HydrophobicContact CB-CG1 4.16Å; M72-I274 HydrophobicContact CB-CG2 3.74Å; M72-I274 HydrophobicContact CG-CD1 3.86Å; M72-I274 HydrophobicContact CG-CG1 3.94Å; M72-I274 HydrophobicContact CG-CG2 4.42Å; M73-I274 HydrophobicContact CB-CD1 4Å; M73-I274 HydrophobicContact CE-CD1 3.76Å; I76-I274 HydrophobicContact CD1-CD1 4.14Å; L117-I274 HydrophobicContact CD1-CG1 3.86Å; L120-I274 HydrophobicContact CD2-CD1 4.22Å; Y270-I274 WeakPolarHBondContact O-CG1 3.43Å; Y270-I274 PolarHBondContact O-N 3.27Å; Q271-I274 WeakPolarHBondContact O-CB 3.3Å; Q271-I274 PolarHBondContact O-N 3.28Å; I274-K276 PolarHBondContact O-N 2.89Å; I274-Y277 PolarHBondContact O-N 3.18Å; I274-C278 CarbonylContact O-C 3.53Å; I274-C278 WeakPolarHBondContact O-CA 3.25Å; I274-C278 PolarHBondContact O-N 3.03Å
275	D	98.7	Very high	98.3	Very high	90 Å²	90	53.4 Å²	53.4	48%	0.481	29%	0.287	S	S	.	.	H	α-helix	trans	-63.5	-27.8	179	-64.9	-19.1	0	0	0	112.5	Q271 L273 P279	Q271-D275 PolarHBondContact NE2-OD1 3.19Å; Q271-D275 PolarHBondContact O-N 2.96Å; L273-D275 VanDerWaalsContact C-N 3.32Å; L273-D275 PolarHBondContact O-N 3.25Å; D275-P279 WeakPolarHBondContact O-CB 3.45Å
276	K	98.7	Very high	98.4	Very high	114 Å²	114	48.4 Å²	48.4	50%	0.496	27%	0.265	S	S	.	.	H	α-helix	trans	-77.3	-42	176.4	-177.2	-180	177.4	-162.1	0	112.7	D113 S272 L273 I274	D113-K276 IonicContact OD1-NZ 3.58Å; D113-K276 PolarHBondContact OD1-NZ 3.41Å; D113-K276 IonicContact OD2-NZ 3.45Å; D113-K276 PolarHBondContact OD2-NZ 3Å; S272-K276 WeakPolarHBondContact O-CB 2.91Å; S272-K276 PolarHBondContact O-N 3.18Å; L273-K276 WeakPolarHBondContact O-CB 3.35Å; L273-K276 PolarHBondContact O-N 3.43Å; L273-K276 VanDerWaalsContact O-N 3.14Å; I274-K276 PolarHBondContact O-N 2.89Å
277	Y	98.7	Very high	98.4	Very high	22 Å²	22	49.8 Å²	49.8	9%	0.086	27%	0.274	C	S	.	.	H	α-helix	trans	-109.7	-34.4	-166.2	-70.7	-70.4	0	0	0	114.4	D113 W114 L117 C206 A207 L273 I274	D113-Y277 PolarHBondContact OD1-OH 3.25Å; W114-Y277 HydrophobicContact CB-CE1 3.89Å; W114-Y277 HydrophobicContact CB-CE2 4.09Å; L117-Y277 HydrophobicContact CD2-CD2 3.61Å; L117-Y277 HydrophobicContact CD2-CG 3.72Å; C206-Y277 CarbonylContact C-O 3.57Å; C206-Y277 WeakPolarHBondContact CA-O 3.34Å; A207-Y277 HydrophobicContact CB-CD1 4.38Å; A207-Y277 PolarHBondContact N-O 3.38Å; A207-Y277 VanDerWaalsContact O-CD1 3.29Å; A207-Y277 WeakPolarHBondContact O-CD1 3.28Å; L273-Y277 VanDerWaalsContact O-CD2 3.27Å; L273-Y277 WeakPolarHBondContact O-CD2 3.41Å; L273-Y277 PolarHBondContact O-N 3.03Å; I274-Y277 PolarHBondContact O-N 3.18Å
278	C	97.6	Very high	98.5	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.007	27%	0.271	C	S	.	.	S	Bend	trans	-138.3	55.1	-175.1	-50.1	0	0	0	0	110.8	M72 C206 I274 L282	M72-C278 HydrophobicContact CE-CB 4.2Å; C206-C278 HydrophobicContact CB-CB 4.38Å; C206-C278 VanDerWaalsContact CB-SG 3.5Å; I274-C278 CarbonylContact O-C 3.53Å; I274-C278 WeakPolarHBondContact O-CA 3.25Å; I274-C278 PolarHBondContact O-N 3.03Å; C278-L282 HydrophobicContact CB-CD1 4.25Å
279	P	98	Very high	98.5	Very high	79 Å²	79	45.3 Å²	45.3	51%	0.513	25%	0.252	S	S	.	.			trans	-69.5	152	-168.1	25.8	-33.9	0	0	0	113.9	D275	D275-P279 WeakPolarHBondContact O-CB 3.45Å
280	G	97.7	Very high	98.5	Very high	47 Å²	47	44.1 Å²	44.1	49%	0.485	25%	0.252	S	S	.	.	S	Bend	trans	75.9	-154.9	168	0	0	0	0	0	114.2
281	V	98.4	Very high	98.5	Very high	91 Å²	91	47.3 Å²	47.3	55%	0.552	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	118.5	-179.8	178.6	0	0	0	0	108.9	R69	R69-V281 HydrophobicContact CB-CG1 3.79Å
282	L	98.6	Very high	98.4	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.037	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	156.7	177.4	-52.4	178.5	0	0	0	110.2	R69 M70 M72 M201 N204 C278 W284	R69-L282 VanDerWaalsContact CA-O 3.31Å; R69-L282 WeakPolarHBondContact CA-O 3.21Å; M70-L282 PolarHBondContact N-O 3.27Å; M70-L282 PolarHBondContact O-N 3Å; M72-L282 HydrophobicContact CB-CD1 4.2Å; M72-L282 HydrophobicContact CE-CD1 3.83Å; M201-L282 HydrophobicContact CE-CD1 4.3Å; N204-L282 HydrophobicContact CB-CD2 3.96Å; N204-L282 WeakPolarHBondContact OD1-CA 3.47Å; C278-L282 HydrophobicContact CB-CD1 4.25Å; L282-W284 HydrophobicContact CB-CZ2 4.28Å; L282-W284 HydrophobicContact CD1-CH2 4.5Å; L282-W284 HydrophobicContact CD1-CZ2 3.96Å; L282-W284 VanDerWaalsContact O-CD1 3.24Å; L282-W284 PolarHBondContact O-NE1 2.8Å
283	Q	98.7	Very high	98.4	Very high	83 Å²	83	45.3 Å²	45.3	39%	0.388	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.6	171.5	-75.4	-178.5	97.1	0	0	109	C65 R69 F203 N204	C65-Q283 HydrophobicContact CB-CB 4.29Å; C65-Q283 WeakPolarHBondContact O-CB 3.28Å; R69-Q283 HydrophobicContact CG-CG 4.41Å; F203-Q283 HydrophobicContact CD1-CB 4.06Å; F203-Q283 HydrophobicContact CE1-CB 3.74Å; F203-Q283 HydrophobicContact CE1-CG 4.34Å; N204-Q283 PolarHBondContact ND2-O 3.35Å; N204-Q283 PolarHBondContact OD1-N 3.38Å
284	W	98.1	Very high	98.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.278	C	S	.	.			trans	-120.8	0	-174.6	-53.8	78.4	0	0	0	110.9	C65 N66 H67 S68 M70 M72 A75 V124 W131 Y196 L197 V200 L282	C65-W284 CarbonylContact C-O 3.52Å; C65-W284 VanDerWaalsContact CA-C 3.47Å; C65-W284 VanDerWaalsContact CA-OXT 3.29Å; C65-W284 WeakPolarHBondContact CA-OXT 3.42Å; N66-W284 PolarHBondContact N-O 3.33Å; H67-W284 WeakPolarHBondContact CA-O 3.06Å; H67-W284 WeakPolarHBondContact CB-O 3.41Å; H67-W284 PolarHBondContact N-O 3.26Å; S68-W284 PolarHBondContact N-O 2.97Å; S68-W284 PolarHBondContact O-N 3.07Å; M70-W284 VanDerWaalsContact CG-CD1 3.48Å; M70-W284 HydrophobicContact CG-CD2 4.32Å; M70-W284 HydrophobicContact CG-CG 4.21Å; M70-W284 HydrophobicContact CG-CZ2 4.29Å; M70-W284 PolarHBondContact O-NE1 3.13Å; M72-W284 HydrophobicContact CE-CH2 4.24Å; M72-W284 HydrophobicContact SD-CH2 3.76Å; M72-W284 HydrophobicContact SD-CZ2 4.38Å; A75-W284 HydrophobicContact CB-CH2 3.46Å; A75-W284 VanDerWaalsContact CB-CH2 3.46Å; A75-W284 HydrophobicContact CB-CZ2 3.47Å; A75-W284 VanDerWaalsContact CB-CZ2 3.47Å; A75-W284 HydrophobicContact CB-CZ3 4.13Å; V124-W284 HydrophobicContact CG1-CH2 3.49Å; V124-W284 VanDerWaalsContact CG1-CH2 3.49Å; V124-W284 HydrophobicContact CG1-CZ3 3.52Å; W131-W284 HydrophobicContact CH2-CB 3.59Å; W131-W284 HydrophobicContact CH2-CG 4.39Å; W131-W284 HydrophobicContact CZ3-CB 4.32Å; Y196-W284 PolarHBondContact OH-OXT 3.27Å; L197-W284 HydrophobicContact CD1-CZ3 4.28Å; V200-W284 HydrophobicContact CG1-CD2 4.21Å; V200-W284 HydrophobicContact CG1-CE3 3.82Å; V200-W284 HydrophobicContact CG1-CZ3 4.13Å; V200-W284 HydrophobicContact CG2-CE3 4.45Å; L282-W284 HydrophobicContact CB-CZ2 4.28Å; L282-W284 HydrophobicContact CD1-CH2 4.5Å; L282-W284 HydrophobicContact CD1-CZ2 3.96Å; L282-W284 VanDerWaalsContact O-CD1 3.24Å; L282-W284 PolarHBondContact O-NE1 2.8Å

Retrieved 284 of 284 residues in 185.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).