A0A087X5L9_POEFO Loading...

5,6-dihydroxyindole-2-carboxylic acid oxidase

AlphaFold DB , UniProt , Accession A0A087X5L9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 530 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	I	41.7	Very low	36.8	Very low	226 Å²	226	165.3 Å²	165.3	100%	1.159	87%	0.869	S	S	*	*				0	91.4	0	-59.2	173	0	0	0	105.8
2	T	34.3	Very low	37.2	Very low	135 Å²	135	160.4 Å²	160.4	83%	0.828	85%	0.854	S	S	*	*			trans	-126.4	127.1	-172.5	27.1	0	0	0	0	106.5
3	L	35.7	Very low	37.3	Very low	171 Å²	171	164.2 Å²	164.2	90%	0.895	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-59.3	145.9	-176.9	-77	101.9	0	0	0	112.1
4	P	42.4	Very low	37.3	Very low	119 Å²	119	161.5 Å²	161.5	77%	0.773	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-91.4	132.7	162	29.3	-18.2	0	0	0	111.2
5	S	36.1	Very low	37.4	Very low	106 Å²	106	159.1 Å²	159.1	74%	0.741	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-68.4	131.5	168.5	20.6	0	0	0	0	111.2
6	L	37.3	Very low	37.3	Very low	173 Å²	173	155.6 Å²	155.6	91%	0.906	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-75.3	121	171.4	-91.4	140.5	0	0	0	110.3
7	F	35	Very low	37	Very low	198 Å²	198	156.2 Å²	156.2	87%	0.868	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-79.7	130.4	165.7	-87.2	-95.5	0	0	0	109.9
8	L	36.2	Very low	37	Very low	158 Å²	158	155.9 Å²	155.9	83%	0.827	84%	0.835	S	S	*	*			trans	-120.9	134.1	160.5	-85.3	162.5	0	0	0	108
9	P	38.1	Very low	36.7	Very low	122 Å²	122	154.1 Å²	154.1	79%	0.792	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-81.5	130.1	179.9	31.6	-30.1	0	0	0	110.8
10	M	32.7	Very low	36.2	Very low	187 Å²	187	151.4 Å²	151.4	92%	0.921	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-76.5	118.6	169.3	-75.9	174.9	61.6	0	0	109.9
11	W	35.6	Very low	35.8	Very low	223 Å²	223	147.8 Å²	147.8	85%	0.845	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-85.2	127.2	166.9	-147.7	-33.9	0	0	0	108.2	Y13	W11-Y13 PolarHBondContact O-N 3.09Å
12	P	41.7	Very low	35.2	Very low	107 Å²	107	142.9 Å²	142.9	70%	0.695	79%	0.793	S	S	*	*			trans	-78.3	112.7	172	29.2	-30.5	0	0	0	109.1	C14	P12-C14 PolarHBondContact O-N 3.15Å
13	Y	37.8	Very low	35	Very low	209 Å²	209	142.8 Å²	142.8	82%	0.82	79%	0.786	S	S	*	*			trans	-71.1	106.3	162.4	-76.8	-86.9	0	0	0	108.2	W11 V15	W11-Y13 PolarHBondContact O-N 3.09Å; Y13-V15 PolarHBondContact O-N 3.32Å
14	C	37.6	Very low	34.7	Very low	127 Å²	127	137.9 Å²	137.9	86%	0.858	76%	0.763	S	S	*	*			trans	-66.8	99.2	161.6	-75.5	0	0	0	0	108.3	P12 S16	P12-C14 PolarHBondContact O-N 3.15Å; C14-S16 PolarHBondContact O-N 2.91Å; C14-S16 VanDerWaalsContact O-N 3.1Å
15	V	38.2	Very low	34.4	Very low	125 Å²	125	132.2 Å²	132.2	76%	0.758	73%	0.726	S	S	*	*			trans	-70.9	100.3	165.5	177.7	0	0	0	0	106.9	Y13 M17	Y13-V15 PolarHBondContact O-N 3.32Å; V15-M17 PolarHBondContact O-N 2.98Å
16	S	36.9	Very low	34.3	Very low	104 Å²	104	127.1 Å²	127.1	73%	0.727	69%	0.691	S	S	*	*			trans	-67.8	100.8	166.2	-164.7	0	0	0	0	107.3	C14 L18	C14-S16 PolarHBondContact O-N 2.91Å; C14-S16 VanDerWaalsContact O-N 3.1Å; S16-L18 VanDerWaalsContact C-N 3.32Å; S16-L18 PolarHBondContact O-N 2.6Å
17	M	32.4	Very low	36.2	Very low	165 Å²	165	119 Å²	119	81%	0.813	65%	0.648	S	S	*	*			trans	-64.2	97.9	164.3	-87.6	-159	-178.4	0	0	107.7	V15 V19	V15-M17 PolarHBondContact O-N 2.98Å; M17-V19 PolarHBondContact O-N 3.43Å
18	L	36.1	Very low	39	Very low	152 Å²	152	109.8 Å²	109.8	80%	0.796	61%	0.608	S	S	*	*			trans	-62.7	94.7	155.3	-101.9	137.2	0	0	0	106.5	S16 C20	S16-L18 VanDerWaalsContact C-N 3.32Å; S16-L18 PolarHBondContact O-N 2.6Å; L18-C20 PolarHBondContact O-N 3.5Å
19	V	30.7	Very low	41.8	Very low	120 Å²	120	102.3 Å²	102.3	73%	0.727	57%	0.569	S	S	*	*			trans	-66.8	89	161.1	179.7	0	0	0	0	105.3	M17 A21	M17-V19 PolarHBondContact O-N 3.43Å; V19-A21 PolarHBondContact O-N 3.19Å
20	C	28.1	Very low	44.4	Very low	101 Å²	101	98.6 Å²	98.6	68%	0.682	54%	0.539	S	S	*	.			trans	-61.4	97.1	159.4	-82.6	0	0	0	0	106	L18 V22	L18-C20 PolarHBondContact O-N 3.5Å; C20-V22 VanDerWaalsContact C-N 3.3Å; C20-V22 PolarHBondContact O-N 3.35Å
21	A	27.6	Very low	47.3	Very low	75 Å²	75	94.5 Å²	94.5	62%	0.62	52%	0.517	S	S	*	.			trans	-58	102.9	162.6	0	0	0	0	0	106.1	V19 L23	V19-A21 PolarHBondContact O-N 3.19Å; A21-L23 VanDerWaalsContact C-N 3.33Å; A21-L23 PolarHBondContact O-N 2.92Å
22	V	28.7	Very low	50.2	Low	124 Å²	124	84 Å²	84	75%	0.752	48%	0.478	S	S	*	.			trans	-66	100.5	172.6	180	0	0	0	0	105.4	C20 V24	C20-V22 VanDerWaalsContact C-N 3.3Å; C20-V22 PolarHBondContact O-N 3.35Å; V22-V24 HydrophobicContact CG1-CG2 4.23Å
23	L	30.8	Very low	52.7	Low	133 Å²	133	79.4 Å²	79.4	70%	0.696	45%	0.448	S	S	*	.			trans	-64.9	138	172	-64.1	164.5	0	0	0	107.4	A21 R30	A21-L23 VanDerWaalsContact C-N 3.33Å; A21-L23 PolarHBondContact O-N 2.92Å; L23-R30 PolarHBondContact O-NH1 2.95Å
24	V	27.7	Very low	55.5	Low	67 Å²	67	71.9 Å²	71.9	41%	0.406	42%	0.424	S	S	.	.			trans	-136.5	118.7	-174.5	168.9	0	0	0	0	109.9	V22 R30 V159 N180	V22-V24 HydrophobicContact CG1-CG2 4.23Å; V24-R30 VanDerWaalsContact N-NH1 3.18Å; V24-R30 WeakPolarHBondContact O-CB 3.42Å; V24-V159 HydrophobicContact CG1-CG1 4.06Å; V24-N180 VanDerWaalsContact CG1-CG 3.44Å; V24-N180 WeakPolarHBondContact CG1-ND2 3.36Å; V24-N180 WeakPolarHBondContact CG1-OD1 3.43Å
25	S	36.4	Very low	58.2	Low	0 Å²	0	66.7 Å²	66.7	0%	0	39%	0.389	C	S	.	.			trans	-123.2	148.6	-162.4	-92.6	0	0	0	0	117.7	R30 P156 D157 L158 V159	S25-R30 VanDerWaalsContact CA-CZ 3.49Å; S25-R30 VanDerWaalsContact CA-NE 3.27Å; S25-R30 VanDerWaalsContact CB-CB 3.43Å; S25-R30 VanDerWaalsContact CB-N 3.27Å; S25-R30 WeakPolarHBondContact OG-CA 3.32Å; S25-R30 WeakPolarHBondContact OG-CB 3.16Å; S25-R30 WeakPolarHBondContact OG-CD 3.35Å; S25-R30 WeakPolarHBondContact OG-CG 3.39Å; S25-R30 PolarHBondContact OG-N 3.28Å; S25-R30 PolarHBondContact OG-NE 3.04Å; S25-P156 PolarHBondContact OG-O 2.8Å; S25-D157 WeakPolarHBondContact CB-O 3.43Å; S25-D157 VanDerWaalsContact OG-CA 3.32Å; S25-D157 WeakPolarHBondContact OG-CA 3.41Å; S25-D157 PolarHBondContact OG-O 3.3Å; S25-L158 CarbonylContact O-C 3.3Å; S25-L158 WeakPolarHBondContact O-CA 3.4Å; S25-V159 WeakPolarHBondContact O-CA 3.37Å; S25-V159 WeakPolarHBondContact O-CB 3.2Å; S25-V159 WeakPolarHBondContact O-CG1 3.47Å; S25-V159 PolarHBondContact O-N 3.4Å
26	A	35.5	Very low	60.9	Low	0 Å²	0	67 Å²	67	0%	0	38%	0.382	C	S	.	.			trans	-111.8	161.1	-157.4	0	0	0	0	0	122.2	F28 V33 L158 V159 F178	A26-F28 CarbonylContact C-O 3.6Å; A26-F28 WeakPolarHBondContact CA-O 3.44Å; A26-F28 WeakPolarHBondContact CB-O 3.29Å; A26-F28 CarbonylContact O-C 3.59Å; A26-F28 WeakPolarHBondContact O-CA 3.29Å; A26-F28 PolarHBondContact O-N 3.28Å; A26-F28 VanDerWaalsContact O-N 3.07Å; A26-V33 HydrophobicContact CB-CB 3.97Å; A26-V33 HydrophobicContact CB-CG1 3.48Å; A26-V33 VanDerWaalsContact CB-CG1 3.48Å; A26-V33 HydrophobicContact CB-CG2 3.31Å; A26-L158 WeakPolarHBondContact O-CA 3.11Å; A26-L158 WeakPolarHBondContact O-CB 3.43Å; A26-L158 WeakPolarHBondContact O-CD2 3.36Å; A26-V159 CarbonylContact C-O 3.48Å; A26-V159 VanDerWaalsContact C-O 3.26Å; A26-V159 HydrophobicContact CB-CB 3.63Å; A26-V159 HydrophobicContact CB-CG2 3.23Å; A26-V159 VanDerWaalsContact N-CB 3.33Å; A26-V159 VanDerWaalsContact N-N 3.13Å; A26-F178 HydrophobicContact CB-CD1 3.91Å; A26-F178 HydrophobicContact CB-CE1 4.34Å
27	Q	75.4	Confident	63.7	Low	3 Å²	3	62.5 Å²	62.5	1%	0.014	35%	0.352	C	S	.	.	S	Bend	trans	-51.6	-36.9	178.5	165.4	72	47.4	0	0	108.6	V159 Y186 W189 P441 W443	Q27-V159 WeakPolarHBondContact CA-O 3.44Å; Q27-V159 WeakPolarHBondContact CB-O 3.48Å; Q27-V159 PolarHBondContact N-O 2.94Å; Q27-Y186 HydrophobicContact CB-CE2 4.33Å; Q27-Y186 PolarHBondContact NE2-OH 3.2Å; Q27-Y186 PolarHBondContact OE1-OH 3.22Å; Q27-W189 HydrophobicContact CB-CH2 4.46Å; Q27-W189 HydrophobicContact CB-CZ3 4.16Å; Q27-W189 HydrophobicContact CG-CH2 4.19Å; Q27-W189 HydrophobicContact CG-CZ3 3.72Å; Q27-W189 VanDerWaalsContact OE1-CE3 3.29Å; Q27-P441 HydrophobicContact CG-CB 4.28Å; Q27-P441 VanDerWaalsContact NE2-C 3.34Å; Q27-P441 PolarHBondContact NE2-O 2.98Å; Q27-W443 WeakPolarHBondContact O-CB 3.4Å
28	F	94.1	Very high	66.7	Low	4 Å²	4	54.7 Å²	54.7	2%	0.018	31%	0.313	C	S	.	.	S	Bend	trans	-91.5	135.5	148.5	-50.1	-68.5	0	0	0	109.5	A26 V33 W89 P90 F93 F94 F178 W443	A26-F28 CarbonylContact C-O 3.6Å; A26-F28 WeakPolarHBondContact CA-O 3.44Å; A26-F28 WeakPolarHBondContact CB-O 3.29Å; A26-F28 CarbonylContact O-C 3.59Å; A26-F28 WeakPolarHBondContact O-CA 3.29Å; A26-F28 PolarHBondContact O-N 3.28Å; A26-F28 VanDerWaalsContact O-N 3.07Å; F28-V33 HydrophobicContact CB-CG1 3.76Å; F28-V33 HydrophobicContact CD2-CG1 4.28Å; F28-V33 WeakPolarHBondContact O-CG1 3.47Å; F28-W89 AromaticContact CE1-CH2 3.61Å; F28-W89 HydrophobicContact CE1-CH2 3.61Å; F28-W89 AromaticContact CE1-CZ2 3.52Å; F28-W89 HydrophobicContact CE1-CZ2 3.52Å; F28-W89 HydrophobicContact CE2-CH2 4.06Å; F28-W89 AromaticContact CZ-CH2 3.18Å; F28-W89 HydrophobicContact CZ-CH2 3.18Å; F28-W89 AromaticContact CZ-CZ2 3.64Å; F28-W89 HydrophobicContact CZ-CZ2 3.64Å; F28-W89 AromaticContact CZ-CZ3 3.94Å; F28-W89 HydrophobicContact CZ-CZ3 3.94Å; F28-P90 HydrophobicContact CE1-CB 4.04Å; F28-P90 HydrophobicContact CZ-CB 4.44Å; F28-F93 HydrophobicContact CD2-CD1 4.46Å; F28-F93 HydrophobicContact CE1-CB 4.39Å; F28-F93 HydrophobicContact CE2-CB 3.76Å; F28-F93 AromaticContact CE2-CD1 3.55Å; F28-F93 HydrophobicContact CE2-CD1 3.55Å; F28-F93 AromaticContact CE2-CD2 3.84Å; F28-F93 HydrophobicContact CE2-CD2 3.84Å; F28-F93 HydrophobicContact CE2-CE1 4.06Å; F28-F93 HydrophobicContact CE2-CE2 4.31Å; F28-F93 AromaticContact CE2-CG 3.44Å; F28-F93 HydrophobicContact CE2-CG 3.44Å; F28-F93 VanDerWaalsContact CE2-CG 3.44Å; F28-F93 HydrophobicContact CE2-CZ 4.42Å; F28-F93 HydrophobicContact CZ-CB 3.6Å; F28-F93 HydrophobicContact CZ-CD1 4.11Å; F28-F93 AromaticContact CZ-CD2 3.56Å; F28-F93 HydrophobicContact CZ-CD2 3.56Å; F28-F93 HydrophobicContact CZ-CE2 4.24Å; F28-F93 AromaticContact CZ-CG 3.49Å; F28-F93 HydrophobicContact CZ-CG 3.49Å; F28-F93 VanDerWaalsContact CZ-CG 3.49Å; F28-F94 HydrophobicContact CB-CD2 4.44Å; F28-F94 HydrophobicContact CB-CE2 3.67Å; F28-F94 HydrophobicContact CB-CZ 4.35Å; F28-F94 AromaticContact CD1-CD2 3.72Å; F28-F94 HydrophobicContact CD1-CD2 3.72Å; F28-F94 AromaticContact CD1-CE2 3.72Å; F28-F94 HydrophobicContact CD1-CE2 3.72Å; F28-F94 HydrophobicContact CD2-CD2 4.3Å; F28-F94 AromaticContact CD2-CE2 3.63Å; F28-F94 HydrophobicContact CD2-CE2 3.63Å; F28-F94 AromaticContact CE1-CD2 3.87Å; F28-F94 HydrophobicContact CE1-CD2 3.87Å; F28-F94 HydrophobicContact CE1-CE2 4.16Å; F28-F94 HydrophobicContact CE2-CD2 4.42Å; F28-F94 HydrophobicContact CE2-CE2 4.08Å; F28-F94 AromaticContact CG-CD2 3.91Å; F28-F94 HydrophobicContact CG-CD2 3.91Å; F28-F94 AromaticContact CG-CE2 3.39Å; F28-F94 HydrophobicContact CG-CE2 3.39Å; F28-F94 HydrophobicContact CG-CZ 4.46Å; F28-F94 HydrophobicContact CZ-CD2 4.19Å; F28-F94 HydrophobicContact CZ-CE2 4.3Å; F28-F178 HydrophobicContact CD2-CE1 4.37Å; F28-F178 HydrophobicContact CD2-CZ 4.46Å; F28-W443 HydrophobicContact CD1-CB 4.46Å; F28-W443 AromaticContact CD1-CD2 3.83Å; F28-W443 HydrophobicContact CD1-CD2 3.83Å; F28-W443 AromaticContact CD1-CE3 3.52Å; F28-W443 HydrophobicContact CD1-CE3 3.52Å; F28-W443 HydrophobicContact CD1-CG 4.22Å; F28-W443 HydrophobicContact CD1-CZ3 4.02Å; F28-W443 HydrophobicContact CE1-CD2 4.41Å; F28-W443 AromaticContact CE1-CE3 3.68Å; F28-W443 HydrophobicContact CE1-CE3 3.68Å; F28-W443 HydrophobicContact CE1-CZ3 4.05Å
29	P	94.9	Very high	69.5	Low	0 Å²	0	55 Å²	55	0%	0	30%	0.304	C	S	.	.			trans	-42.5	152	-172.9	-28.2	29.5	0	0	0	117.1	E31 C32 V33 Y107 D157	P29-E31 PolarHBondContact O-N 3.3Å; P29-C32 WeakPolarHBondContact O-CB 3.04Å; P29-C32 PolarHBondContact O-N 3.06Å; P29-V33 PolarHBondContact O-N 3.21Å; P29-Y107 HydrophobicContact CB-CD2 3.55Å; P29-Y107 HydrophobicContact CB-CE2 3.69Å; P29-Y107 HydrophobicContact CB-CG 4.02Å; P29-Y107 VanDerWaalsContact CG-CB 3.45Å; P29-Y107 HydrophobicContact CG-CD1 4.01Å; P29-Y107 HydrophobicContact CG-CD2 3.18Å; P29-Y107 HydrophobicContact CG-CE2 3.88Å; P29-Y107 HydrophobicContact CG-CG 3.26Å; P29-D157 WeakPolarHBondContact CA-O 3.35Å
30	R	93.9	Very high	72.7	Confident	44 Å²	44	52.7 Å²	52.7	17%	0.166	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-40.7	-52.8	177.6	27.4	-139.7	83.4	-145.2	-21.6	112.2	L23 V24 S25 C32 V33 H155 P156	L23-R30 PolarHBondContact O-NH1 2.95Å; V24-R30 VanDerWaalsContact N-NH1 3.18Å; V24-R30 WeakPolarHBondContact O-CB 3.42Å; S25-R30 VanDerWaalsContact CA-CZ 3.49Å; S25-R30 VanDerWaalsContact CA-NE 3.27Å; S25-R30 VanDerWaalsContact CB-CB 3.43Å; S25-R30 VanDerWaalsContact CB-N 3.27Å; S25-R30 WeakPolarHBondContact OG-CA 3.32Å; S25-R30 WeakPolarHBondContact OG-CB 3.16Å; S25-R30 WeakPolarHBondContact OG-CD 3.35Å; S25-R30 WeakPolarHBondContact OG-CG 3.39Å; S25-R30 PolarHBondContact OG-N 3.28Å; S25-R30 PolarHBondContact OG-NE 3.04Å; R30-C32 PolarHBondContact O-N 3.35Å; R30-C32 VanDerWaalsContact O-N 3.13Å; R30-V33 WeakPolarHBondContact O-CG2 3.27Å; R30-V33 PolarHBondContact O-N 3.13Å; R30-H155 PolarHBondContact NH2-O 3.09Å; R30-P156 PolarHBondContact NE-O 2.95Å; R30-P156 VanDerWaalsContact NH2-C 3.28Å; R30-P156 PolarHBondContact NH2-O 3.22Å
31	E	93.7	Very high	75.9	Confident	101 Å²	101	48.3 Å²	48.3	47%	0.472	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-65.6	-17.7	-169.5	-58.3	176.7	-143.4	0	0	111.7	P29 P45	P29-E31 PolarHBondContact O-N 3.3Å; E31-P45 HydrophobicContact CB-CB 4.11Å; E31-P45 VanDerWaalsContact OE2-CB 3.27Å; E31-P45 WeakPolarHBondContact OE2-CB 3.02Å
32	C	95.8	Very high	79.3	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.02	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-95.4	-25.8	-178.5	-61.7	0	0	0	0	114.1	P29 R30 T34 G37 C43 F94	P29-C32 WeakPolarHBondContact O-CB 3.04Å; P29-C32 PolarHBondContact O-N 3.06Å; R30-C32 PolarHBondContact O-N 3.35Å; R30-C32 VanDerWaalsContact O-N 3.13Å; C32-T34 VanDerWaalsContact C-N 3.27Å; C32-T34 PolarHBondContact O-N 3.06Å; C32-G37 CarbonylContact O-C 3.53Å; C32-G37 WeakPolarHBondContact O-CA 3.04Å; C32-C43 HydrophobicContact CB-CB 3.54Å; C32-C43 WeakPolarHBondContact CB-SG 3.47Å; C32-C43 WeakPolarHBondContact SG-CA 3.46Å; C32-C43 WeakPolarHBondContact SG-CB 3.02Å; C32-C43 CovalentContact SG-SG 2.02Å; C32-C43 PolarHBondContact SG-SG 3.36Å; C32-F94 HydrophobicContact CB-CE1 4.21Å; C32-F94 HydrophobicContact CB-CZ 3.91Å; C32-F94 WeakPolarHBondContact O-CZ 3.39Å
33	V	95.4	Very high	82.5	Confident	10 Å²	10	42.6 Å²	42.6	6%	0.061	22%	0.217	C	C	.	.	S	Bend	trans	-92.6	25.6	-173.4	-60.6	0	0	0	0	113.7	A26 F28 P29 R30 T176 F178	A26-V33 HydrophobicContact CB-CB 3.97Å; A26-V33 HydrophobicContact CB-CG1 3.48Å; A26-V33 VanDerWaalsContact CB-CG1 3.48Å; A26-V33 HydrophobicContact CB-CG2 3.31Å; F28-V33 HydrophobicContact CB-CG1 3.76Å; F28-V33 HydrophobicContact CD2-CG1 4.28Å; F28-V33 WeakPolarHBondContact O-CG1 3.47Å; P29-V33 PolarHBondContact O-N 3.21Å; R30-V33 WeakPolarHBondContact O-CG2 3.27Å; R30-V33 PolarHBondContact O-N 3.13Å; V33-T176 WeakPolarHBondContact O-CB 3.49Å; V33-T176 WeakPolarHBondContact O-CG2 3.03Å; V33-T176 PolarHBondContact O-OG1 2.77Å; V33-F178 HydrophobicContact CB-CD1 4.39Å; V33-F178 HydrophobicContact CB-CD2 3.91Å; V33-F178 HydrophobicContact CB-CE1 4.28Å; V33-F178 HydrophobicContact CB-CE2 3.78Å; V33-F178 HydrophobicContact CB-CG 4.22Å; V33-F178 HydrophobicContact CB-CZ 3.97Å; V33-F178 HydrophobicContact CG1-CD1 4.17Å; V33-F178 HydrophobicContact CG1-CD2 4.39Å; V33-F178 HydrophobicContact CG1-CE1 3.72Å; V33-F178 HydrophobicContact CG1-CE2 3.97Å; V33-F178 HydrophobicContact CG1-CG 4.48Å; V33-F178 HydrophobicContact CG1-CZ 3.61Å; V33-F178 HydrophobicContact CG2-CD2 4.32Å; V33-F178 HydrophobicContact CG2-CG 4.26Å
34	T	95.1	Very high	85.7	Confident	52 Å²	52	36.9 Å²	36.9	32%	0.319	19%	0.188	S	C	.	.	S	Bend	trans	-76.2	163.1	168.4	76.5	0	0	0	0	110.5	C32 E36 G37 L38	C32-T34 VanDerWaalsContact C-N 3.27Å; C32-T34 PolarHBondContact O-N 3.06Å; T34-E36 PolarHBondContact O-N 3.36Å; T34-E36 PolarHBondContact OG1-N 3.21Å; T34-E36 PolarHBondContact OG1-OE2 3.3Å; T34-G37 PolarHBondContact O-N 2.87Å; T34-G37 VanDerWaalsContact O-N 3.16Å; T34-G37 PolarHBondContact OG1-N 3.21Å; T34-L38 PolarHBondContact O-N 2.87Å
35	P	95.1	Very high	89	Confident	18 Å²	18	34.3 Å²	34.3	12%	0.117	17%	0.173	C	C	.	.	H	α-helix	trans	-53	-41.4	173.4	-28.7	37.6	0	0	0	112.8	R39 N174 T176	P35-R39 VanDerWaalsContact O-CB 3.29Å; P35-R39 WeakPolarHBondContact O-CB 3.27Å; P35-R39 WeakPolarHBondContact O-CD 3.31Å; P35-R39 WeakPolarHBondContact O-CG 3.03Å; P35-R39 PolarHBondContact O-N 3.44Å; P35-R39 VanDerWaalsContact O-N 3.09Å; P35-N174 WeakPolarHBondContact CG-O 3.26Å; P35-T176 HydrophobicContact CG-CG2 3.96Å
36	E	95.1	Very high	91.9	Very high	131 Å²	131	35.5 Å²	35.5	61%	0.612	18%	0.183	S	C	*	.	H	α-helix	trans	-68.3	-44.4	177.9	-60.1	73.1	-156.6	0	0	111.7	T34 R39 S40	T34-E36 PolarHBondContact O-N 3.36Å; T34-E36 PolarHBondContact OG1-N 3.21Å; T34-E36 PolarHBondContact OG1-OE2 3.3Å; E36-R39 PolarHBondContact O-N 3.24Å; E36-S40 VanDerWaalsContact O-CB 3.25Å; E36-S40 WeakPolarHBondContact O-CB 3.44Å; E36-S40 PolarHBondContact O-N 3.5Å; E36-S40 PolarHBondContact O-OG 3.12Å
37	G	94.7	Very high	94.7	Very high	9 Å²	9	35.7 Å²	35.7	9%	0.093	18%	0.184	C	C	.	.	H	α-helix	trans	-59.2	-52.3	179.2	0	0	0	0	0	111.7	C32 T34 S40 G41	C32-G37 CarbonylContact O-C 3.53Å; C32-G37 WeakPolarHBondContact O-CA 3.04Å; T34-G37 PolarHBondContact O-N 2.87Å; T34-G37 VanDerWaalsContact O-N 3.16Å; T34-G37 PolarHBondContact OG1-N 3.21Å; G37-S40 PolarHBondContact O-N 2.04Å; G37-S40 PolarHBondContact O-OG 3.28Å; G37-G41 PolarHBondContact O-N 2.85Å
38	L	95.9	Very high	95.4	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-45	178.6	-67.3	165.7	0	0	0	112.2	T34 S40 G41 F93 F94 I168 F169 T176 F178	T34-L38 PolarHBondContact O-N 2.87Å; L38-S40 VanDerWaalsContact C-N 3.3Å; L38-S40 PolarHBondContact O-N 3.28Å; L38-G41 PolarHBondContact O-N 2.05Å; L38-G41 VanDerWaalsContact O-N 3.17Å; L38-F93 HydrophobicContact CD2-CD1 4.49Å; L38-F94 HydrophobicContact CD2-CE1 4.32Å; L38-F94 HydrophobicContact CD2-CE2 4.08Å; L38-F94 HydrophobicContact CD2-CZ 3.62Å; L38-F94 HydrophobicContact CG-CZ 4.41Å; L38-I168 HydrophobicContact CD1-CG1 4.4Å; L38-I168 HydrophobicContact CD1-CG2 4.46Å; L38-F169 HydrophobicContact CB-CE1 3.98Å; L38-F169 HydrophobicContact CB-CZ 3.72Å; L38-F169 HydrophobicContact CD1-CE1 4.2Å; L38-F169 HydrophobicContact CD1-CZ 4.41Å; L38-T176 HydrophobicContact CD1-CG2 3.68Å; L38-F178 HydrophobicContact CD1-CE2 3.92Å
39	R	95.4	Very high	95.3	Very high	158 Å²	158	44 Å²	44	60%	0.596	25%	0.252	S	S	*	.	H	α-helix	trans	-65.4	-33.7	178.6	-72.1	173.1	-168.2	-83.8	0.8	112.7	P35 E36 G41 F169 G173	P35-R39 VanDerWaalsContact O-CB 3.29Å; P35-R39 WeakPolarHBondContact O-CB 3.27Å; P35-R39 WeakPolarHBondContact O-CD 3.31Å; P35-R39 WeakPolarHBondContact O-CG 3.03Å; P35-R39 PolarHBondContact O-N 3.44Å; P35-R39 VanDerWaalsContact O-N 3.09Å; E36-R39 PolarHBondContact O-N 3.24Å; R39-G41 VanDerWaalsContact C-N 3.27Å; R39-F169 HydrophobicContact CG-CE1 3.99Å; R39-F169 HydrophobicContact CG-CZ 3.8Å; R39-G173 PolarHBondContact NH2-O 2.86Å
40	S	96.9	Very high	95.1	Very high	72 Å²	72	47.4 Å²	47.4	50%	0.503	27%	0.267	S	S	.	.	H	α-helix	trans	-72.1	-22.4	177.1	77	0	0	0	0	112.9	E36 G37 L38 Q42	E36-S40 VanDerWaalsContact O-CB 3.25Å; E36-S40 WeakPolarHBondContact O-CB 3.44Å; E36-S40 PolarHBondContact O-N 3.5Å; E36-S40 PolarHBondContact O-OG 3.12Å; G37-S40 PolarHBondContact O-N 2.04Å; G37-S40 PolarHBondContact O-OG 3.28Å; L38-S40 VanDerWaalsContact C-N 3.3Å; L38-S40 PolarHBondContact O-N 3.28Å; S40-Q42 PolarHBondContact O-N 2.94Å; S40-Q42 PolarHBondContact OG-N 3.47Å; S40-Q42 VanDerWaalsContact OG-N 3.15Å
41	G	96.5	Very high	95.1	Very high	9 Å²	9	51.1 Å²	51.1	9%	0.093	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	66	14.7	-172.3	0	0	0	0	0	113.6	G37 L38 R39 F94 N95 R96	G37-G41 PolarHBondContact O-N 2.85Å; L38-G41 PolarHBondContact O-N 2.05Å; L38-G41 VanDerWaalsContact O-N 3.17Å; R39-G41 VanDerWaalsContact C-N 3.27Å; G41-F94 CarbonylContact O-C 3.56Å; G41-F94 VanDerWaalsContact O-CA 3.29Å; G41-F94 WeakPolarHBondContact O-CA 3.49Å; G41-N95 PolarHBondContact O-N 3.02Å; G41-N95 PolarHBondContact O-OD1 3.26Å; G41-N95 VanDerWaalsContact O-OD1 3.09Å; G41-R96 PolarHBondContact O-N 3.18Å
42	Q	97.5	Very high	95.1	Very high	79 Å²	79	50 Å²	50	37%	0.369	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.9	-178.9	-179.2	175.5	-73.1	0	0	111.8	S40 C44 R96	S40-Q42 PolarHBondContact O-N 2.94Å; S40-Q42 PolarHBondContact OG-N 3.47Å; S40-Q42 VanDerWaalsContact OG-N 3.15Å; Q42-C44 HydrophobicContact CG-CB 4.03Å; Q42-R96 HydrophobicContact CB-CB 4.13Å; Q42-R96 HydrophobicContact CG-CB 3.91Å
43	C	97.6	Very high	95.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	86.4	170	176.1	0	0	0	0	109.5	C32 F94 R96 T97 W443	C32-C43 HydrophobicContact CB-CB 3.54Å; C32-C43 WeakPolarHBondContact CB-SG 3.47Å; C32-C43 WeakPolarHBondContact SG-CA 3.46Å; C32-C43 WeakPolarHBondContact SG-CB 3.02Å; C32-C43 CovalentContact SG-SG 2.02Å; C32-C43 PolarHBondContact SG-SG 3.36Å; C43-F94 HydrophobicContact CB-CD1 3.67Å; C43-F94 HydrophobicContact CB-CD2 4.32Å; C43-F94 HydrophobicContact CB-CE1 3.86Å; C43-F94 HydrophobicContact CB-CE2 4.5Å; C43-F94 HydrophobicContact CB-CG 3.92Å; C43-F94 HydrophobicContact CB-CZ 4.28Å; C43-R96 PolarHBondContact N-O 3.45Å; C43-T97 WeakPolarHBondContact O-CA 3.36Å; C43-W443 HydrophobicContact CB-CH2 3.83Å; C43-W443 HydrophobicContact CB-CZ2 3.43Å; C43-W443 VanDerWaalsContact CB-CZ2 3.43Å; C43-W443 WeakPolarHBondContact SG-CZ2 3.16Å
44	C	97.7	Very high	95.2	Very high	13 Å²	13	53 Å²	53	9%	0.088	33%	0.331	C	S	.	.			trans	-134.2	62.9	-178.7	-67.3	0	0	0	0	111.7	Q42 P54 C64	Q42-C44 HydrophobicContact CG-CB 4.03Å; C44-P54 HydrophobicContact CB-CB 4.36Å; C44-P54 WeakPolarHBondContact O-CB 3.4Å; C44-C64 HydrophobicContact CB-CB 3.61Å; C44-C64 WeakPolarHBondContact CB-SG 3.39Å; C44-C64 VanDerWaalsContact SG-CA 3.59Å; C44-C64 WeakPolarHBondContact SG-CB 3.26Å; C44-C64 CovalentContact SG-SG 2.04Å; C44-C64 PolarHBondContact SG-SG 2.9Å
45	P	96.8	Very high	95.3	Very high	12 Å²	12	50.6 Å²	50.6	8%	0.078	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-67.6	162.3	-179.6	25.8	-29.7	0	0	0	112	E31 C55 Y107 N108	E31-P45 HydrophobicContact CB-CB 4.11Å; E31-P45 VanDerWaalsContact OE2-CB 3.27Å; E31-P45 WeakPolarHBondContact OE2-CB 3.02Å; P45-C55 PolarHBondContact O-N 2.8Å; P45-Y107 HydrophobicContact CB-CE2 4.25Å; P45-Y107 HydrophobicContact CG-CD2 3.36Å; P45-Y107 HydrophobicContact CG-CE2 3.48Å; P45-Y107 VanDerWaalsContact CG-CE2 3.48Å; P45-N108 HydrophobicContact CG-CB 4.11Å; P45-N108 WeakPolarHBondContact O-CB 3.26Å
46	A	96.8	Very high	95.4	Very high	26 Å²	26	49.7 Å²	49.7	22%	0.215	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-88.3	143	179.9	0	0	0	0	0	111	F50 D53 N108	A46-F50 WeakPolarHBondContact CB-O 3.33Å; A46-D53 WeakPolarHBondContact CA-O 3.22Å; A46-D53 WeakPolarHBondContact CB-O 3.41Å; A46-N108 PolarHBondContact O-ND2 3.46Å
47	P	94.9	Very high	95.5	Very high	4 Å²	4	46 Å²	46	3%	0.026	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-72.2	154.5	177.4	25.9	-28.8	0	0	0	112.1	G49 F50 D53 N108	P47-G49 PolarHBondContact O-N 2.03Å; P47-F50 HydrophobicContact CB-CD2 4.45Å; P47-F50 HydrophobicContact CG-CB 4.16Å; P47-F50 HydrophobicContact CG-CD2 3.93Å; P47-F50 HydrophobicContact CG-CG 4.38Å; P47-F50 PolarHBondContact O-N 3.31Å; P47-D53 WeakPolarHBondContact CD-O 3.37Å; P47-N108 HydrophobicContact CB-CB 4.43Å
48	P	90.1	Very high	95.6	Very high	109 Å²	109	50.4 Å²	50.4	71%	0.708	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	133.6	174.4	-26.3	34.5	0	0	0	111.9
49	G	90.6	Very high	95.5	Very high	73 Å²	73	52.3 Å²	52.3	75%	0.753	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	-7.2	-176.9	0	0	0	0	0	115.3	P47 P51	P47-G49 PolarHBondContact O-N 2.03Å; G49-P51 VanDerWaalsContact C-CD 3.48Å
50	F	92.4	Very high	95.6	Very high	70 Å²	70	46.9 Å²	46.9	31%	0.307	34%	0.341	S	S	.	.			trans	-127.2	59.3	179	-56.8	-87	0	0	0	111.8	A46 P47 G52 D53 A59	A46-F50 WeakPolarHBondContact CB-O 3.33Å; P47-F50 HydrophobicContact CB-CD2 4.45Å; P47-F50 HydrophobicContact CG-CB 4.16Å; P47-F50 HydrophobicContact CG-CD2 3.93Å; P47-F50 HydrophobicContact CG-CG 4.38Å; P47-F50 PolarHBondContact O-N 3.31Å; F50-G52 PolarHBondContact O-N 3.01Å; F50-D53 HydrophobicContact CB-CB 3.93Å; F50-D53 WeakPolarHBondContact O-CB 3.44Å; F50-D53 PolarHBondContact O-N 3.24Å; F50-D53 VanDerWaalsContact O-N 3.09Å; F50-A59 HydrophobicContact CD1-CB 3.76Å; F50-A59 HydrophobicContact CE1-CB 3.4Å; F50-A59 HydrophobicContact CE2-CB 4.36Å; F50-A59 HydrophobicContact CG-CB 4.38Å; F50-A59 HydrophobicContact CZ-CB 3.72Å
51	P	92.8	Very high	95.6	Very high	122 Å²	122	45 Å²	45	79%	0.792	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	130.5	-175.3	27.1	-34.9	0	0	0	111.3	G49 D53	G49-P51 VanDerWaalsContact C-CD 3.48Å; P51-D53 VanDerWaalsContact C-N 3.32Å
52	G	93.8	Very high	95.6	Very high	77 Å²	77	44.8 Å²	44.8	79%	0.794	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	12.4	-178.6	0	0	0	0	0	115	F50 P54	F50-G52 PolarHBondContact O-N 3.01Å; G52-P54 VanDerWaalsContact O-CD 3.29Å; G52-P54 WeakPolarHBondContact O-CD 3.43Å
53	D	96.4	Very high	95.7	Very high	19 Å²	19	46 Å²	46	10%	0.102	33%	0.326	C	S	.	.			trans	-111.2	86.2	174.8	-173	23.6	0	0	0	111.2	A46 P47 F50 P51 C55 G56 A57 S58 A59	A46-D53 WeakPolarHBondContact CA-O 3.22Å; A46-D53 WeakPolarHBondContact CB-O 3.41Å; P47-D53 WeakPolarHBondContact CD-O 3.37Å; F50-D53 HydrophobicContact CB-CB 3.93Å; F50-D53 WeakPolarHBondContact O-CB 3.44Å; F50-D53 PolarHBondContact O-N 3.24Å; F50-D53 VanDerWaalsContact O-N 3.09Å; P51-D53 VanDerWaalsContact C-N 3.32Å; D53-C55 PolarHBondContact O-N 2.78Å; D53-G56 PolarHBondContact O-N 3.47Å; D53-G56 VanDerWaalsContact OD2-CA 3.29Å; D53-G56 WeakPolarHBondContact OD2-CA 3.27Å; D53-A57 PolarHBondContact OD1-N 3.2Å; D53-A57 PolarHBondContact OD2-N 3.01Å; D53-S58 VanDerWaalsContact CG-N 3.33Å; D53-S58 PolarHBondContact OD1-N 2.8Å; D53-S58 WeakPolarHBondContact OD2-CB 3.02Å; D53-S58 PolarHBondContact OD2-N 3.25Å; D53-S58 PolarHBondContact OD2-OG 2.04Å; D53-A59 PolarHBondContact OD2-N 3.38Å
54	P	96.9	Very high	95.7	Very high	59 Å²	59	47.3 Å²	47.3	38%	0.383	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-49.9	126.5	-179.4	-29	36	0	0	0	112.2	C44 G52 G56 A57	C44-P54 HydrophobicContact CB-CB 4.36Å; C44-P54 WeakPolarHBondContact O-CB 3.4Å; G52-P54 VanDerWaalsContact O-CD 3.29Å; G52-P54 WeakPolarHBondContact O-CD 3.43Å; P54-G56 PolarHBondContact O-N 3.09Å; P54-A57 PolarHBondContact O-N 3.07Å
55	C	97.8	Very high	95.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	59.1	12.9	-179.5	-44	0	0	0	0	115.2	P45 D53 G62 C64 C98 N108 C109	P45-C55 PolarHBondContact O-N 2.8Å; D53-C55 PolarHBondContact O-N 2.78Å; C55-G62 CarbonylContact O-C 3.6Å; C55-G62 WeakPolarHBondContact O-CA 3.35Å; C55-G62 PolarHBondContact O-N 3.41Å; C55-C64 PolarHBondContact SG-N 2.95Å; C55-C98 WeakPolarHBondContact CA-SG 3.47Å; C55-C98 HydrophobicContact CB-CB 3.66Å; C55-C98 WeakPolarHBondContact CB-SG 3.36Å; C55-C98 WeakPolarHBondContact SG-CA 3.38Å; C55-C98 WeakPolarHBondContact SG-CB 3.38Å; C55-C98 CovalentContact SG-SG 2.03Å; C55-C98 PolarHBondContact SG-SG 3.22Å; C55-N108 CarbonylContact C-O 3.46Å; C55-C109 WeakPolarHBondContact O-CB 3.25Å
56	G	97.1	Very high	95.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	65.4	38.7	-176.2	0	0	0	0	0	113.1	D53 P54 A59 G60 R61	D53-G56 PolarHBondContact O-N 3.47Å; D53-G56 VanDerWaalsContact OD2-CA 3.29Å; D53-G56 WeakPolarHBondContact OD2-CA 3.27Å; P54-G56 PolarHBondContact O-N 3.09Å; G56-A59 CarbonylContact O-C 3.48Å; G56-A59 PolarHBondContact O-N 2.89Å; G56-G60 PolarHBondContact O-N 3.03Å; G56-G60 VanDerWaalsContact O-N 3.15Å; G56-R61 PolarHBondContact O-N 3.22Å
57	A	97.6	Very high	95.8	Very high	53 Å²	53	51.4 Å²	51.4	44%	0.438	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-44.6	-175.8	0	0	0	0	0	113.3	D53 P54 A59 G60 G62	D53-A57 PolarHBondContact OD1-N 3.2Å; D53-A57 PolarHBondContact OD2-N 3.01Å; P54-A57 PolarHBondContact O-N 3.07Å; A57-A59 PolarHBondContact O-N 3.5Å; A57-G60 PolarHBondContact O-N 3.32Å; A57-G60 VanDerWaalsContact O-N 3.09Å; A57-G62 WeakPolarHBondContact CA-O 2.99Å
58	S	96.4	Very high	95.8	Very high	101 Å²	101	56.2 Å²	56.2	71%	0.706	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.5	176.4	77.5	0	0	0	0	112.5	D53 G60	D53-S58 VanDerWaalsContact CG-N 3.33Å; D53-S58 PolarHBondContact OD1-N 2.8Å; D53-S58 WeakPolarHBondContact OD2-CB 3.02Å; D53-S58 PolarHBondContact OD2-N 3.25Å; D53-S58 PolarHBondContact OD2-OG 2.04Å; S58-G60 VanDerWaalsContact C-N 3.33Å
59	A	94.4	Very high	96.1	Very high	43 Å²	43	51.8 Å²	51.8	36%	0.355	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-1.8	176.4	0	0	0	0	0	113.9	F50 D53 G56 A57 R61	F50-A59 HydrophobicContact CD1-CB 3.76Å; F50-A59 HydrophobicContact CE1-CB 3.4Å; F50-A59 HydrophobicContact CE2-CB 4.36Å; F50-A59 HydrophobicContact CG-CB 4.38Å; F50-A59 HydrophobicContact CZ-CB 3.72Å; D53-A59 PolarHBondContact OD2-N 3.38Å; G56-A59 CarbonylContact O-C 3.48Å; G56-A59 PolarHBondContact O-N 2.89Å; A57-A59 PolarHBondContact O-N 3.5Å; A59-R61 HydrophobicContact CB-CG 4.1Å; A59-R61 PolarHBondContact O-N 3.36Å
60	G	96	Very high	96.4	Very high	43 Å²	43	48.9 Å²	48.9	44%	0.443	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	14.8	-176.7	0	0	0	0	0	114.6	G56 A57 S58 T101	G56-G60 PolarHBondContact O-N 3.03Å; G56-G60 VanDerWaalsContact O-N 3.15Å; A57-G60 PolarHBondContact O-N 3.32Å; A57-G60 VanDerWaalsContact O-N 3.09Å; S58-G60 VanDerWaalsContact C-N 3.33Å; G60-T101 WeakPolarHBondContact O-CB 3.44Å; G60-T101 PolarHBondContact O-OG1 3.26Å
61	R	97.3	Very high	96.6	Very high	32 Å²	32	49.1 Å²	49.1	12%	0.121	35%	0.347	C	S	.	.	S	Bend	trans	-79.2	-28.3	-177.2	-70.8	-179.2	155.7	-116.6	2.1	113.3	G56 A59 C100 T101 F104 C109 G110 A119	G56-R61 PolarHBondContact O-N 3.22Å; A59-R61 HydrophobicContact CB-CG 4.1Å; A59-R61 PolarHBondContact O-N 3.36Å; R61-C100 WeakPolarHBondContact O-CA 3.47Å; R61-T101 PolarHBondContact O-N 3.21Å; R61-F104 HydrophobicContact CB-CD2 4.19Å; R61-F104 HydrophobicContact CB-CG 4.22Å; R61-F104 HydrophobicContact CG-CD1 4.1Å; R61-F104 HydrophobicContact CG-CD2 4.1Å; R61-F104 HydrophobicContact CG-CE1 4.02Å; R61-F104 HydrophobicContact CG-CE2 4.01Å; R61-F104 HydrophobicContact CG-CG 4.16Å; R61-F104 HydrophobicContact CG-CZ 3.97Å; R61-C109 HydrophobicContact CB-CB 4.03Å; R61-C109 PolarHBondContact NH1-O 3.42Å; R61-C109 WeakPolarHBondContact O-CB 3.29Å; R61-G110 PolarHBondContact NH1-O 3.26Å; R61-A119 PolarHBondContact NH2-O 3.47Å
62	G	97.7	Very high	96.9	Very high	5 Å²	5	48.1 Å²	48.1	5%	0.052	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.7	-171.2	-179.1	0	0	0	0	0	112.2	C55 A57 Q99	C55-G62 CarbonylContact O-C 3.6Å; C55-G62 WeakPolarHBondContact O-CA 3.35Å; C55-G62 PolarHBondContact O-N 3.41Å; A57-G62 WeakPolarHBondContact CA-O 2.99Å; G62-Q99 CarbonylContact C-O 2.62Å; G62-Q99 WeakPolarHBondContact CA-O 3.42Å
63	Q	98.1	Very high	97.1	Very high	104 Å²	104	47.7 Å²	47.7	49%	0.486	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	148.4	-179.4	48.2	173	15.1	0	0	110.7	V65 Q99	Q63-V65 HydrophobicContact CB-CG1 4.4Å; Q63-V65 HydrophobicContact CG-CG1 3.71Å; Q63-V65 PolarHBondContact O-N 2.95Å; Q63-Q99 PolarHBondContact N-O 3.09Å; Q63-Q99 PolarHBondContact O-N 2.99Å
64	C	98.2	Very high	97.2	Very high	29 Å²	29	48.6 Å²	48.6	20%	0.196	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	115.7	173.3	-174.1	0	0	0	0	109.7	C44 C55 R96 T97	C44-C64 HydrophobicContact CB-CB 3.61Å; C44-C64 WeakPolarHBondContact CB-SG 3.39Å; C44-C64 VanDerWaalsContact SG-CA 3.59Å; C44-C64 WeakPolarHBondContact SG-CB 3.26Å; C44-C64 CovalentContact SG-SG 2.04Å; C44-C64 PolarHBondContact SG-SG 2.9Å; C55-C64 PolarHBondContact SG-N 2.95Å; C64-R96 PolarHBondContact O-NH2 2.8Å; C64-T97 WeakPolarHBondContact CA-O 3.25Å
65	V	98.1	Very high	97.1	Very high	30 Å²	30	45.9 Å²	45.9	18%	0.182	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	163.3	-174.2	-59.8	0	0	0	0	111.5	Q63 R96 T97 Q99	Q63-V65 HydrophobicContact CB-CG1 4.4Å; Q63-V65 HydrophobicContact CG-CG1 3.71Å; Q63-V65 PolarHBondContact O-N 2.95Å; V65-R96 CarbonylContact O-C 3.54Å; V65-R96 WeakPolarHBondContact O-CA 3.47Å; V65-R96 WeakPolarHBondContact O-CB 3.16Å; V65-T97 PolarHBondContact N-O 3.07Å; V65-T97 PolarHBondContact O-N 3.1Å; V65-Q99 HydrophobicContact CG1-CB 4.21Å; V65-Q99 HydrophobicContact CG2-CB 3.55Å
66	S	98.1	Very high	97	Very high	82 Å²	82	51.8 Å²	51.8	57%	0.573	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	140.1	169.3	-57.6	0	0	0	0	110.3	N95 R96	S66-N95 CarbonylContact C-O 3.56Å; S66-N95 WeakPolarHBondContact CA-O 3.42Å; S66-R96 PolarHBondContact OG-NH1 2.83Å
67	I	97	Very high	96.8	Very high	25 Å²	25	54.3 Å²	54.3	13%	0.128	35%	0.348	C	S	.	.			trans	-74.2	131.5	179.2	-62.1	175.2	0	0	0	109.9	P90 F94 N95 T97 W443 P445	I67-P90 HydrophobicContact CD1-CG 3.6Å; I67-P90 HydrophobicContact CG2-CG 4.43Å; I67-F94 HydrophobicContact CD1-CB 4.37Å; I67-F94 WeakPolarHBondContact CD1-O 3.35Å; I67-N95 PolarHBondContact N-O 2.78Å; I67-T97 HydrophobicContact CD1-CG2 4.19Å; I67-T97 HydrophobicContact CG1-CG2 3.62Å; I67-W443 HydrophobicContact CD1-CH2 3.93Å; I67-W443 HydrophobicContact CD1-CZ3 3.99Å; I67-P445 HydrophobicContact CD1-CG 4.08Å; I67-P445 HydrophobicContact CG1-CG 4.34Å; I67-P445 HydrophobicContact CG2-CB 4.39Å; I67-P445 HydrophobicContact CG2-CG 4.01Å
68	S	95.3	Very high	96.9	Very high	105 Å²	105	52.1 Å²	52.1	73%	0.734	33%	0.328	S	S	*	.			trans	-89.8	110.8	166.6	-176.3	0	0	0	0	108.6	N438	S68-N438 PolarHBondContact O-ND2 3.06Å
69	A	95.9	Very high	96.9	Very high	15 Å²	15	51.4 Å²	51.4	12%	0.124	32%	0.321	C	S	.	.			trans	-113.6	135.5	173.5	0	0	0	0	0	109.4	A71 R88 V91	A69-A71 PolarHBondContact O-N 2.85Å; A69-R88 HydrophobicContact CB-CB 4.3Å; A69-R88 WeakPolarHBondContact CB-O 3.38Å; A69-V91 HydrophobicContact CB-CG1 3.66Å
70	D	97.6	Very high	97	Very high	12 Å²	12	51.6 Å²	51.6	6%	0.064	31%	0.314	C	S	.	.			trans	-54.2	128.8	177.9	-168.6	-113.6	0	0	0	110.3	R72 N434 Y437	D70-R72 IonicContact OD2-NH1 3.93Å; D70-R72 PolarHBondContact OD2-NH1 3.18Å; D70-N434 WeakPolarHBondContact OD1-CB 2.93Å; D70-N434 PolarHBondContact OD1-ND2 2.96Å; D70-Y437 HydrophobicContact CB-CD2 4.21Å
71	A	96.8	Very high	97.1	Very high	75 Å²	75	54.5 Å²	54.5	62%	0.62	32%	0.32	S	S	*	.			trans	-118.2	5.7	-179.7	0	0	0	0	0	111.6	A69	A69-A71 PolarHBondContact O-N 2.85Å
72	R	98.4	Very high	97.1	Very high	102 Å²	102	55.4 Å²	55.4	39%	0.385	34%	0.339	S	S	.	.	S	Bend	trans	-71	154.2	176.1	-68.7	-175.6	-176.8	93.9	-13.4	109.6	D70 E426 E427	D70-R72 IonicContact OD2-NH1 3.93Å; D70-R72 PolarHBondContact OD2-NH1 3.18Å; R72-E426 VanDerWaalsContact CD-O 3.24Å; R72-E426 WeakPolarHBondContact CD-O 3.47Å; R72-E426 IonicContact CZ-OE1 2.6Å; R72-E426 IonicContact NH2-OE1 3.79Å; R72-E426 PolarHBondContact NH2-OE1 3.09Å; R72-E426 IonicContact NH2-OE2 3.1Å; R72-E427 HydrophobicContact CB-CB 3.97Å
73	P	98.1	Very high	97	Very high	67 Å²	67	61.1 Å²	61.1	44%	0.435	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-62.5	144.1	178.5	26.6	-34.1	0	0	0	111	E427 N428 N434	P73-E427 HydrophobicContact CG-CB 4.28Å; P73-N428 PolarHBondContact O-N 3.36Å; P73-N434 PolarHBondContact O-ND2 3.29Å; P73-N434 VanDerWaalsContact O-ND2 3.14Å
74	H	98.2	Very high	97	Very high	38 Å²	38	56.4 Å²	56.4	18%	0.176	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-93.7	168.6	162.1	52.6	72.7	0	0	0	110.1	Y78 D81 A429 I431	H74-Y78 AromaticContact CE1-CD1 3.83Å; H74-Y78 PolarHBondContact CE1-O 3.05Å; H74-D81 IonicContact CE1-OD1 3.71Å; H74-D81 PolarHBondContact CE1-OD1 3.4Å; H74-D81 IonicContact NE2-OD1 3.7Å; H74-D81 PolarHBondContact NE2-OD1 3.31Å; H74-D81 IonicContact NE2-OD2 3.4Å; H74-A429 CarbonylContact C-O 3.25Å; H74-A429 WeakPolarHBondContact CA-O 3.3Å; H74-A429 WeakPolarHBondContact CB-O 3.35Å; H74-I431 HydrophobicContact CB-CB 3.9Å; H74-I431 HydrophobicContact CB-CG1 4.4Å
75	G	95.3	Very high	97	Very high	2 Å²	2	55.9 Å²	55.9	2%	0.021	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-63	166.3	177.3	0	0	0	0	0	112.9	Q77 N428 A429	G75-Q77 PolarHBondContact O-N 3.15Å; G75-Q77 VanDerWaalsContact O-N 3.1Å; G75-Q77 PolarHBondContact O-OE1 3.17Å; G75-N428 WeakPolarHBondContact CA-O 3.29Å; G75-A429 PolarHBondContact N-O 2.81Å
76	P	94.7	Very high	97	Very high	125 Å²	125	54.6 Å²	54.6	81%	0.812	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-1.1	-172.8	32.5	-37.9	0	0	0	114.2	Y78	P76-Y78 PolarHBondContact O-N 3.2Å
77	Q	94.7	Very high	97	Very high	53 Å²	53	51.3 Å²	51.3	25%	0.248	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-27.6	-178.7	-61.1	87.4	-21.6	0	0	112.2	G75 P79 F207	G75-Q77 PolarHBondContact O-N 3.15Å; G75-Q77 VanDerWaalsContact O-N 3.1Å; G75-Q77 PolarHBondContact O-OE1 3.17Å; Q77-P79 WeakPolarHBondContact O-CD 3.25Å; Q77-F207 WeakPolarHBondContact O-CZ 3.43Å
78	Y	97.8	Very high	97.1	Very high	6 Å²	6	56.1 Å²	56.1	2%	0.024	32%	0.316	C	S	.	.			trans	-110.2	106	-179.4	-171.8	-104.6	0	0	0	111.4	H74 P76 H80 D84 E87 T198 F207 V210 I431	H74-Y78 AromaticContact CE1-CD1 3.83Å; H74-Y78 PolarHBondContact CE1-O 3.05Å; P76-Y78 PolarHBondContact O-N 3.2Å; Y78-H80 VanDerWaalsContact CE1-C 3.43Å; Y78-H80 HydrophobicContact CE1-CB 4.02Å; Y78-H80 HydrophobicContact CE2-CB 4.05Å; Y78-H80 PolarHBondContact OH-O 3.31Å; Y78-D84 VanDerWaalsContact OH-CB 3.22Å; Y78-D84 WeakPolarHBondContact OH-CB 3.03Å; Y78-E87 HydrophobicContact CE1-CG 4.37Å; Y78-E87 PolarHBondContact OH-OE1 2.98Å; Y78-T198 WeakPolarHBondContact CE2-OG1 3.28Å; Y78-T198 PolarHBondContact OH-OG1 2.76Å; Y78-F207 HydrophobicContact CD2-CD1 4.13Å; Y78-F207 AromaticContact CD2-CE1 3.86Å; Y78-F207 HydrophobicContact CD2-CE1 3.86Å; Y78-F207 HydrophobicContact CE2-CD1 4.18Å; Y78-F207 HydrophobicContact CE2-CE1 4.37Å; Y78-V210 HydrophobicContact CD2-CB 3.94Å; Y78-V210 HydrophobicContact CD2-CG2 3.95Å; Y78-V210 HydrophobicContact CE2-CB 4.23Å; Y78-V210 HydrophobicContact CE2-CG1 4.46Å; Y78-V210 HydrophobicContact CE2-CG2 4.17Å; Y78-I431 HydrophobicContact CD1-CD1 3.66Å; Y78-I431 HydrophobicContact CD1-CG2 4.39Å; Y78-I431 HydrophobicContact CD2-CG2 4.19Å; Y78-I431 HydrophobicContact CE1-CD1 3.9Å; Y78-I431 HydrophobicContact CG-CB 4.47Å; Y78-I431 HydrophobicContact CG-CD1 4.21Å; Y78-I431 HydrophobicContact CG-CG2 3.87Å
79	P	97.3	Very high	97.2	Very high	87 Å²	87	51.2 Å²	51.2	57%	0.565	28%	0.282	S	S	*	.			trans	-99.6	17.4	-176.4	38.6	-36.1	0	0	0	113.7	Q77 F207	Q77-P79 WeakPolarHBondContact O-CD 3.25Å; P79-F207 HydrophobicContact CG-CE2 4.41Å; P79-F207 HydrophobicContact CG-CZ 4.46Å
80	H	97.5	Very high	97.3	Very high	46 Å²	46	50.5 Å²	50.5	21%	0.213	28%	0.276	C	S	.	.			trans	-120.6	31.3	-166.2	-63.7	-55.4	0	0	0	114.2	Y78 G82 R83 L200 F207	Y78-H80 VanDerWaalsContact CE1-C 3.43Å; Y78-H80 HydrophobicContact CE1-CB 4.02Å; Y78-H80 HydrophobicContact CE2-CB 4.05Å; Y78-H80 PolarHBondContact OH-O 3.31Å; H80-G82 PolarHBondContact O-N 2.91Å; H80-R83 HydrophobicContact CB-CB 4.33Å; H80-R83 HydrophobicContact CB-CG 4.22Å; H80-R83 WeakPolarHBondContact O-CB 3.4Å; H80-R83 WeakPolarHBondContact O-CG 3.45Å; H80-R83 PolarHBondContact O-N 3.46Å; H80-L200 HydrophobicContact CB-CD2 4.46Å; H80-F207 AromaticContact CD2-CD1 3.79Å; H80-F207 AromaticContact CD2-CD2 3.72Å; H80-F207 AromaticContact CD2-CG 3.45Å; H80-F207 VanDerWaalsContact CD2-CG 3.45Å; H80-F207 WeakPolarHBondContact CD2-CG 3.38Å; H80-F207 AromaticContact NE2-CD2 3.45Å; H80-F207 WeakPolarHBondContact NE2-CD2 3.49Å; H80-F207 AromaticContact NE2-CG 3.64Å
81	D	97.5	Very high	97.2	Very high	105 Å²	105	52.2 Å²	52.2	56%	0.561	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	135.2	176.8	-62.3	5.5	0	0	0	112.5	H74	H74-D81 IonicContact CE1-OD1 3.71Å; H74-D81 PolarHBondContact CE1-OD1 3.4Å; H74-D81 IonicContact NE2-OD1 3.7Å; H74-D81 PolarHBondContact NE2-OD1 3.31Å; H74-D81 IonicContact NE2-OD2 3.4Å
82	G	96.1	Very high	97.2	Very high	50 Å²	50	53.5 Å²	53.5	52%	0.515	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	4.7	-178	0	0	0	0	0	114.6	H80 E87	H80-G82 PolarHBondContact O-N 2.91Å; G82-E87 VanDerWaalsContact CA-OE2 3.3Å; G82-E87 WeakPolarHBondContact CA-OE2 3.44Å; G82-E87 PolarHBondContact N-OE1 3.42Å; G82-E87 PolarHBondContact N-OE2 3.04Å
83	R	96.9	Very high	97.2	Very high	126 Å²	126	48.9 Å²	48.9	48%	0.475	26%	0.258	S	S	.	.	S	Bend	trans	-113	-21.6	-171.7	-56.3	-61.8	-60.8	-80.7	-2.9	113.7	H80 E87 T198 L200	H80-R83 HydrophobicContact CB-CB 4.33Å; H80-R83 HydrophobicContact CB-CG 4.22Å; H80-R83 WeakPolarHBondContact O-CB 3.4Å; H80-R83 WeakPolarHBondContact O-CG 3.45Å; H80-R83 PolarHBondContact O-N 3.46Å; R83-E87 PolarHBondContact N-OE1 2.87Å; R83-T198 HydrophobicContact CB-CG2 4.32Å; R83-L200 PolarHBondContact NH2-O 2.02Å
84	D	97.9	Very high	97.2	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.027	24%	0.238	C	C	.	.			trans	-115	136.8	-175	-159	-55.9	0	0	0	112.3	Y78 R86 E87 T198	Y78-D84 VanDerWaalsContact OH-CB 3.22Å; Y78-D84 WeakPolarHBondContact OH-CB 3.03Å; D84-R86 PolarHBondContact O-N 3.43Å; D84-R86 VanDerWaalsContact OD1-CB 3.27Å; D84-R86 WeakPolarHBondContact OD1-CB 3.38Å; D84-R86 WeakPolarHBondContact OD1-CG 3.28Å; D84-R86 IonicContact OD1-CZ 3.78Å; D84-R86 PolarHBondContact OD1-N 3.07Å; D84-R86 IonicContact OD1-NE 3.73Å; D84-R86 PolarHBondContact OD1-NE 3.06Å; D84-R86 IonicContact OD1-NH2 3.05Å; D84-R86 IonicContact OD2-CZ 2.88Å; D84-R86 IonicContact OD2-NE 2.8Å; D84-R86 PolarHBondContact OD2-NE 3.16Å; D84-R86 IonicContact OD2-NH2 3.9Å; D84-R86 PolarHBondContact OD2-NH2 3.17Å; D84-E87 HydrophobicContact CB-CG 4.17Å; D84-E87 PolarHBondContact N-OE1 3.03Å; D84-E87 WeakPolarHBondContact O-CB 3.48Å; D84-E87 WeakPolarHBondContact O-CG 3.37Å; D84-E87 PolarHBondContact O-N 3.34Å; D84-T198 HydrophobicContact CB-CG2 3.94Å; D84-T198 WeakPolarHBondContact OD2-CA 3.27Å; D84-T198 VanDerWaalsContact OD2-CB 3.3Å; D84-T198 WeakPolarHBondContact OD2-CB 3.49Å; D84-T198 PolarHBondContact OD2-OG1 3.46Å
85	D	98.3	Very high	97.1	Very high	18 Å²	18	48.1 Å²	48.1	10%	0.096	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.7	-179.4	-68	-33.9	0	0	0	112.8	E87 R92 F93 H164 Y165	D85-E87 VanDerWaalsContact C-N 3.34Å; D85-R92 WeakPolarHBondContact O-CG 3.29Å; D85-F93 HydrophobicContact CB-CE2 3.86Å; D85-F93 HydrophobicContact CB-CZ 4.06Å; D85-H164 VanDerWaalsContact OD2-CA 3.27Å; D85-H164 WeakPolarHBondContact OD2-CA 3.49Å; D85-H164 VanDerWaalsContact OD2-CB 3.32Å; D85-H164 WeakPolarHBondContact OD2-CB 3.42Å; D85-H164 IonicContact OD2-CG 3.15Å; D85-H164 IonicContact OD2-ND1 3.06Å; D85-H164 PolarHBondContact OD2-ND1 3.25Å; D85-H164 VanDerWaalsContact OD2-ND1 3.08Å; D85-Y165 VanDerWaalsContact OD1-CB 3.27Å; D85-Y165 WeakPolarHBondContact OD1-CB 3.4Å; D85-Y165 PolarHBondContact OD2-N 3.32Å
86	R	98.6	Very high	97.2	Very high	3 Å²	3	51.7 Å²	51.7	1%	0.011	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-15.6	-178.6	-63	174.4	-69.5	174.3	3.3	113.1	D84 R88 W89 Y193 S196 F212 Y437 V440	D84-R86 PolarHBondContact O-N 3.43Å; D84-R86 VanDerWaalsContact OD1-CB 3.27Å; D84-R86 WeakPolarHBondContact OD1-CB 3.38Å; D84-R86 WeakPolarHBondContact OD1-CG 3.28Å; D84-R86 IonicContact OD1-CZ 3.78Å; D84-R86 PolarHBondContact OD1-N 3.07Å; D84-R86 IonicContact OD1-NE 3.73Å; D84-R86 PolarHBondContact OD1-NE 3.06Å; D84-R86 IonicContact OD1-NH2 3.05Å; D84-R86 IonicContact OD2-CZ 2.88Å; D84-R86 IonicContact OD2-NE 2.8Å; D84-R86 PolarHBondContact OD2-NE 3.16Å; D84-R86 IonicContact OD2-NH2 3.9Å; D84-R86 PolarHBondContact OD2-NH2 3.17Å; R86-R88 PolarHBondContact O-N 2.73Å; R86-W89 PolarHBondContact O-N 3.05Å; R86-Y193 WeakPolarHBondContact CD-O 3.43Å; R86-Y193 HydrophobicContact CG-CD1 4.17Å; R86-Y193 HydrophobicContact CG-CE1 3.44Å; R86-Y193 VanDerWaalsContact CG-CE1 3.44Å; R86-Y193 PolarHBondContact NH1-O 2.96Å; R86-S196 VanDerWaalsContact CZ-O 3.23Å; R86-S196 PolarHBondContact NH1-O 3.04Å; R86-S196 PolarHBondContact NH1-OG 3.05Å; R86-S196 VanDerWaalsContact NH1-OG 3.13Å; R86-S196 PolarHBondContact NH2-O 3.11Å; R86-F212 HydrophobicContact CB-CD1 4.45Å; R86-F212 HydrophobicContact CB-CD2 4.43Å; R86-F212 HydrophobicContact CB-CE1 3.83Å; R86-F212 HydrophobicContact CB-CE2 3.81Å; R86-F212 HydrophobicContact CB-CZ 3.47Å; R86-F212 VanDerWaalsContact CB-CZ 3.47Å; R86-Y437 PolarHBondContact O-OH 2.88Å; R86-Y437 VanDerWaalsContact O-OH 3.1Å; R86-V440 HydrophobicContact CB-CG1 3.85Å; R86-V440 HydrophobicContact CB-CG2 4.46Å; R86-V440 HydrophobicContact CG-CG1 3.62Å
87	E	98.3	Very high	97.4	Very high	13 Å²	13	46.2 Å²	46.2	6%	0.061	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	132.2	176.2	-67	166.3	-157.9	0	0	111.7	Y78 G82 R83 D84 D85 W89 R92 I431 Y437	Y78-E87 HydrophobicContact CE1-CG 4.37Å; Y78-E87 PolarHBondContact OH-OE1 2.98Å; G82-E87 VanDerWaalsContact CA-OE2 3.3Å; G82-E87 WeakPolarHBondContact CA-OE2 3.44Å; G82-E87 PolarHBondContact N-OE1 3.42Å; G82-E87 PolarHBondContact N-OE2 3.04Å; R83-E87 PolarHBondContact N-OE1 2.87Å; D84-E87 HydrophobicContact CB-CG 4.17Å; D84-E87 PolarHBondContact N-OE1 3.03Å; D84-E87 WeakPolarHBondContact O-CB 3.48Å; D84-E87 WeakPolarHBondContact O-CG 3.37Å; D84-E87 PolarHBondContact O-N 3.34Å; D85-E87 VanDerWaalsContact C-N 3.34Å; E87-W89 PolarHBondContact O-N 3.37Å; E87-R92 IonicContact OE2-CZ 3.79Å; E87-R92 IonicContact OE2-NH2 2.79Å; E87-R92 PolarHBondContact OE2-NH2 2.91Å; E87-I431 HydrophobicContact CG-CD1 3.96Å; E87-Y437 WeakPolarHBondContact CA-OH 3.33Å
88	R	97.2	Very high	97.6	Very high	125 Å²	125	44 Å²	44	47%	0.472	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	41.6	-179.7	-56.9	-177.2	63	-158.5	-5.1	111.1	A69 R86 V91 Y437	A69-R88 HydrophobicContact CB-CB 4.3Å; A69-R88 WeakPolarHBondContact CB-O 3.38Å; R86-R88 PolarHBondContact O-N 2.73Å; R88-V91 HydrophobicContact CB-CG2 3.79Å; R88-V91 WeakPolarHBondContact O-CG1 3.41Å; R88-V91 VanDerWaalsContact O-CG2 3.23Å; R88-V91 WeakPolarHBondContact O-CG2 3.4Å; R88-V91 PolarHBondContact O-N 3.14Å; R88-V91 VanDerWaalsContact O-N 3.15Å; R88-Y437 PolarHBondContact N-OH 2.84Å
89	W	98.4	Very high	97.5	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.008	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.6	134.4	-175.1	178.4	-103.7	0	0	0	112.2	F28 R86 E87 F93 Y193 Y437 N438 V440 P441 F442	F28-W89 AromaticContact CE1-CH2 3.61Å; F28-W89 HydrophobicContact CE1-CH2 3.61Å; F28-W89 AromaticContact CE1-CZ2 3.52Å; F28-W89 HydrophobicContact CE1-CZ2 3.52Å; F28-W89 HydrophobicContact CE2-CH2 4.06Å; F28-W89 AromaticContact CZ-CH2 3.18Å; F28-W89 HydrophobicContact CZ-CH2 3.18Å; F28-W89 AromaticContact CZ-CZ2 3.64Å; F28-W89 HydrophobicContact CZ-CZ2 3.64Å; F28-W89 AromaticContact CZ-CZ3 3.94Å; F28-W89 HydrophobicContact CZ-CZ3 3.94Å; R86-W89 PolarHBondContact O-N 3.05Å; E87-W89 PolarHBondContact O-N 3.37Å; W89-F93 HydrophobicContact CH2-CE2 4.5Å; W89-F93 HydrophobicContact CZ3-CD2 4.03Å; W89-F93 AromaticContact CZ3-CE2 3.84Å; W89-F93 HydrophobicContact CZ3-CE2 3.84Å; W89-Y193 HydrophobicContact CZ3-CE1 4.09Å; W89-Y437 HydrophobicContact CB-CE1 4.22Å; W89-N438 WeakPolarHBondContact O-CB 3.34Å; W89-N438 PolarHBondContact O-ND2 2.82Å; W89-V440 HydrophobicContact CB-CG2 3.59Å; W89-V440 HydrophobicContact CD2-CG1 4.24Å; W89-V440 HydrophobicContact CE3-CG1 4.2Å; W89-V440 HydrophobicContact CG-CB 4.43Å; W89-V440 HydrophobicContact CG-CG1 4.48Å; W89-V440 HydrophobicContact CG-CG2 3.92Å; W89-P441 VanDerWaalsContact CE2-C 3.48Å; W89-P441 HydrophobicContact CH2-CB 3.69Å; W89-P441 VanDerWaalsContact CZ2-C 3.42Å; W89-P441 HydrophobicContact CZ2-CB 3.67Å; W89-P441 WeakPolarHBondContact CZ2-O 3.34Å; W89-P441 HydrophobicContact CZ3-CB 4.27Å; W89-F442 PolarHBondContact NE1-O 3.12Å
90	P	97.6	Very high	97.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	cis	-106.3	25.9	1.6	40.2	-32.7	0	0	0	113.6	F28 I67 R92 F93 F94 W443 P445	F28-P90 HydrophobicContact CE1-CB 4.04Å; F28-P90 HydrophobicContact CZ-CB 4.44Å; I67-P90 HydrophobicContact CD1-CG 3.6Å; I67-P90 HydrophobicContact CG2-CG 4.43Å; P90-R92 PolarHBondContact O-N 2.95Å; P90-F93 PolarHBondContact O-N 2.91Å; P90-F94 PolarHBondContact O-N 3.28Å; P90-F94 VanDerWaalsContact O-N 3.15Å; P90-W443 HydrophobicContact CB-CE3 4.37Å; P90-W443 HydrophobicContact CB-CZ3 4.1Å; P90-W443 HydrophobicContact CG-CE3 4.11Å; P90-W443 HydrophobicContact CG-CZ3 3.56Å; P90-P445 HydrophobicContact CG-CG 3.94Å
91	V	96.8	Very high	97.6	Very high	48 Å²	48	47.6 Å²	47.6	29%	0.291	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-12.5	-162.2	-57.1	0	0	0	0	115.7	A69 R88 F93 F94	A69-V91 HydrophobicContact CB-CG1 3.66Å; R88-V91 HydrophobicContact CB-CG2 3.79Å; R88-V91 WeakPolarHBondContact O-CG1 3.41Å; R88-V91 VanDerWaalsContact O-CG2 3.23Å; R88-V91 WeakPolarHBondContact O-CG2 3.4Å; R88-V91 PolarHBondContact O-N 3.14Å; R88-V91 VanDerWaalsContact O-N 3.15Å; V91-F93 VanDerWaalsContact C-N 3.3Å; V91-F94 WeakPolarHBondContact CA-O 3.45Å
92	R	96.4	Very high	97.5	Very high	102 Å²	102	45 Å²	45	39%	0.385	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-32.1	171.3	-66	-77.6	-174.6	-136.3	-3.3	112.3	D85 E87 P90 Y165	D85-R92 WeakPolarHBondContact O-CG 3.29Å; E87-R92 IonicContact OE2-CZ 3.79Å; E87-R92 IonicContact OE2-NH2 2.79Å; E87-R92 PolarHBondContact OE2-NH2 2.91Å; P90-R92 PolarHBondContact O-N 2.95Å; R92-Y165 WeakPolarHBondContact O-CE2 3.12Å
93	F	97.2	Very high	97.5	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.026	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-51.2	-178.7	-61.2	-93.8	0	0	0	112	F28 L38 D85 W89 P90 V91 Y165	F28-F93 HydrophobicContact CD2-CD1 4.46Å; F28-F93 HydrophobicContact CE1-CB 4.39Å; F28-F93 HydrophobicContact CE2-CB 3.76Å; F28-F93 AromaticContact CE2-CD1 3.55Å; F28-F93 HydrophobicContact CE2-CD1 3.55Å; F28-F93 AromaticContact CE2-CD2 3.84Å; F28-F93 HydrophobicContact CE2-CD2 3.84Å; F28-F93 HydrophobicContact CE2-CE1 4.06Å; F28-F93 HydrophobicContact CE2-CE2 4.31Å; F28-F93 AromaticContact CE2-CG 3.44Å; F28-F93 HydrophobicContact CE2-CG 3.44Å; F28-F93 VanDerWaalsContact CE2-CG 3.44Å; F28-F93 HydrophobicContact CE2-CZ 4.42Å; F28-F93 HydrophobicContact CZ-CB 3.6Å; F28-F93 HydrophobicContact CZ-CD1 4.11Å; F28-F93 AromaticContact CZ-CD2 3.56Å; F28-F93 HydrophobicContact CZ-CD2 3.56Å; F28-F93 HydrophobicContact CZ-CE2 4.24Å; F28-F93 AromaticContact CZ-CG 3.49Å; F28-F93 HydrophobicContact CZ-CG 3.49Å; F28-F93 VanDerWaalsContact CZ-CG 3.49Å; L38-F93 HydrophobicContact CD2-CD1 4.49Å; D85-F93 HydrophobicContact CB-CE2 3.86Å; D85-F93 HydrophobicContact CB-CZ 4.06Å; W89-F93 HydrophobicContact CH2-CE2 4.5Å; W89-F93 HydrophobicContact CZ3-CD2 4.03Å; W89-F93 AromaticContact CZ3-CE2 3.84Å; W89-F93 HydrophobicContact CZ3-CE2 3.84Å; P90-F93 PolarHBondContact O-N 2.91Å; V91-F93 VanDerWaalsContact C-N 3.3Å; F93-Y165 AromaticContact CD1-CD2 3.53Å; F93-Y165 HydrophobicContact CD1-CD2 3.53Å; F93-Y165 HydrophobicContact CD1-CE2 4.12Å; F93-Y165 AromaticContact CE1-CD2 3.71Å; F93-Y165 HydrophobicContact CE1-CD2 3.71Å; F93-Y165 HydrophobicContact CE1-CG 4.45Å; F93-Y165 HydrophobicContact CG-CD2 4.14Å; F93-Y165 HydrophobicContact CZ-CD2 4.44Å
94	F	97.9	Very high	97.5	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	21%	0.206	C	C	.	.			trans	-136.6	138	-174.6	-60	-78.3	0	0	0	110.3	F28 C32 L38 G41 C43 I67 P90 V91 W443	F28-F94 HydrophobicContact CB-CD2 4.44Å; F28-F94 HydrophobicContact CB-CE2 3.67Å; F28-F94 HydrophobicContact CB-CZ 4.35Å; F28-F94 AromaticContact CD1-CD2 3.72Å; F28-F94 HydrophobicContact CD1-CD2 3.72Å; F28-F94 AromaticContact CD1-CE2 3.72Å; F28-F94 HydrophobicContact CD1-CE2 3.72Å; F28-F94 HydrophobicContact CD2-CD2 4.3Å; F28-F94 AromaticContact CD2-CE2 3.63Å; F28-F94 HydrophobicContact CD2-CE2 3.63Å; F28-F94 AromaticContact CE1-CD2 3.87Å; F28-F94 HydrophobicContact CE1-CD2 3.87Å; F28-F94 HydrophobicContact CE1-CE2 4.16Å; F28-F94 HydrophobicContact CE2-CD2 4.42Å; F28-F94 HydrophobicContact CE2-CE2 4.08Å; F28-F94 AromaticContact CG-CD2 3.91Å; F28-F94 HydrophobicContact CG-CD2 3.91Å; F28-F94 AromaticContact CG-CE2 3.39Å; F28-F94 HydrophobicContact CG-CE2 3.39Å; F28-F94 HydrophobicContact CG-CZ 4.46Å; F28-F94 HydrophobicContact CZ-CD2 4.19Å; F28-F94 HydrophobicContact CZ-CE2 4.3Å; C32-F94 HydrophobicContact CB-CE1 4.21Å; C32-F94 HydrophobicContact CB-CZ 3.91Å; C32-F94 WeakPolarHBondContact O-CZ 3.39Å; L38-F94 HydrophobicContact CD2-CE1 4.32Å; L38-F94 HydrophobicContact CD2-CE2 4.08Å; L38-F94 HydrophobicContact CD2-CZ 3.62Å; L38-F94 HydrophobicContact CG-CZ 4.41Å; G41-F94 CarbonylContact O-C 3.56Å; G41-F94 VanDerWaalsContact O-CA 3.29Å; G41-F94 WeakPolarHBondContact O-CA 3.49Å; C43-F94 HydrophobicContact CB-CD1 3.67Å; C43-F94 HydrophobicContact CB-CD2 4.32Å; C43-F94 HydrophobicContact CB-CE1 3.86Å; C43-F94 HydrophobicContact CB-CE2 4.5Å; C43-F94 HydrophobicContact CB-CG 3.92Å; C43-F94 HydrophobicContact CB-CZ 4.28Å; I67-F94 HydrophobicContact CD1-CB 4.37Å; I67-F94 WeakPolarHBondContact CD1-O 3.35Å; P90-F94 PolarHBondContact O-N 3.28Å; P90-F94 VanDerWaalsContact O-N 3.15Å; V91-F94 WeakPolarHBondContact CA-O 3.45Å; F94-W443 HydrophobicContact CB-CH2 3.91Å; F94-W443 HydrophobicContact CB-CZ3 4.15Å; F94-W443 HydrophobicContact CD2-CH2 4.33Å; F94-W443 HydrophobicContact CD2-CZ3 4.28Å; F94-W443 HydrophobicContact CG-CH2 4.26Å
95	N	97.3	Very high	97.3	Very high	87 Å²	87	42.4 Å²	42.4	47%	0.465	22%	0.22	S	C	.	.	S	Bend	trans	-110.5	-2.2	173.9	64.6	21.6	0	0	0	112.7	G41 S66 I67	G41-N95 PolarHBondContact O-N 3.02Å; G41-N95 PolarHBondContact O-OD1 3.26Å; G41-N95 VanDerWaalsContact O-OD1 3.09Å; S66-N95 CarbonylContact C-O 3.56Å; S66-N95 WeakPolarHBondContact CA-O 3.42Å; I67-N95 PolarHBondContact N-O 2.78Å
96	R	98.2	Very high	97.1	Very high	78 Å²	78	42.1 Å²	42.1	29%	0.294	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.7	174	-62.9	-179.9	73.1	73.3	4.4	112.1	G41 Q42 C43 C64 V65 S66	G41-R96 PolarHBondContact O-N 3.18Å; Q42-R96 HydrophobicContact CB-CB 4.13Å; Q42-R96 HydrophobicContact CG-CB 3.91Å; C43-R96 PolarHBondContact N-O 3.45Å; C64-R96 PolarHBondContact O-NH2 2.8Å; V65-R96 CarbonylContact O-C 3.54Å; V65-R96 WeakPolarHBondContact O-CA 3.47Å; V65-R96 WeakPolarHBondContact O-CB 3.16Å; S66-R96 PolarHBondContact OG-NH1 2.83Å
97	T	98	Very high	96.9	Very high	9 Å²	9	43 Å²	43	6%	0.055	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	168.7	-179.4	-164.6	0	0	0	0	111.6	C43 C64 V65 I67 W443 P445	C43-T97 WeakPolarHBondContact O-CA 3.36Å; C64-T97 WeakPolarHBondContact CA-O 3.25Å; V65-T97 PolarHBondContact N-O 3.07Å; V65-T97 PolarHBondContact O-N 3.1Å; I67-T97 HydrophobicContact CD1-CG2 4.19Å; I67-T97 HydrophobicContact CG1-CG2 3.62Å; T97-W443 WeakPolarHBondContact OG1-CH2 2.98Å; T97-W443 WeakPolarHBondContact OG1-CZ2 3.36Å; T97-P445 HydrophobicContact CG2-CG 4.2Å
98	C	97.9	Very high	96.8	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.041	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	128.4	170.6	-68.1	0	0	0	0	111.7	C55 Y107	C55-C98 WeakPolarHBondContact CA-SG 3.47Å; C55-C98 HydrophobicContact CB-CB 3.66Å; C55-C98 WeakPolarHBondContact CB-SG 3.36Å; C55-C98 WeakPolarHBondContact SG-CA 3.38Å; C55-C98 WeakPolarHBondContact SG-CB 3.38Å; C55-C98 CovalentContact SG-SG 2.03Å; C55-C98 PolarHBondContact SG-SG 3.22Å; C98-Y107 WeakPolarHBondContact CB-O 3.31Å; C98-Y107 PolarHBondContact SG-O 3.15Å
99	Q	97.4	Very high	96.8	Very high	110 Å²	110	36.6 Å²	36.6	51%	0.514	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.8	165.9	178.4	178.2	55.2	0	0	108.9	G62 Q63 V65	G62-Q99 CarbonylContact C-O 2.62Å; G62-Q99 WeakPolarHBondContact CA-O 3.42Å; Q63-Q99 PolarHBondContact N-O 3.09Å; Q63-Q99 PolarHBondContact O-N 2.99Å; V65-Q99 HydrophobicContact CG1-CB 4.21Å; V65-Q99 HydrophobicContact CG2-CB 3.55Å
100	C	97.6	Very high	96.7	Very high	29 Å²	29	37.7 Å²	37.7	20%	0.196	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	148.2	-174.3	-51	0	0	0	0	112.7	R61 F104 G106 C109	R61-C100 WeakPolarHBondContact O-CA 3.47Å; C100-F104 HydrophobicContact CB-CB 4.09Å; C100-F104 VanDerWaalsContact CB-O 3.26Å; C100-F104 WeakPolarHBondContact CB-O 3.1Å; C100-G106 PolarHBondContact SG-O 2.82Å; C100-C109 WeakPolarHBondContact CA-SG 3Å; C100-C109 HydrophobicContact CB-CB 3.77Å; C100-C109 WeakPolarHBondContact CB-SG 3.27Å; C100-C109 WeakPolarHBondContact SG-CA 3.2Å; C100-C109 WeakPolarHBondContact SG-CB 3.41Å; C100-C109 CovalentContact SG-SG 2.05Å; C100-C109 PolarHBondContact SG-SG 2.89Å
101	T	97.3	Very high	96.4	Very high	76 Å²	76	39.9 Å²	39.9	47%	0.466	22%	0.221	S	C	.	.			trans	-91.9	137.5	-178	-53.7	0	0	0	0	110.6	G60 R61 N103 F104	G60-T101 WeakPolarHBondContact O-CB 3.44Å; G60-T101 PolarHBondContact O-OG1 3.26Å; R61-T101 PolarHBondContact O-N 3.21Å; T101-N103 PolarHBondContact O-N 2.91Å; T101-F104 WeakPolarHBondContact O-CB 2.95Å; T101-F104 VanDerWaalsContact O-CD2 3.27Å; T101-F104 WeakPolarHBondContact O-CD2 3.36Å; T101-F104 PolarHBondContact O-N 2.62Å; T101-F104 VanDerWaalsContact O-N 3.12Å
102	G	95.7	Very high	96.3	Very high	50 Å²	50	38.3 Å²	38.3	52%	0.515	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	-126.7	174.2	0	0	0	0	0	112.7	R113	G102-R113 PolarHBondContact O-NE 3.32Å; G102-R113 PolarHBondContact O-NH2 3.25Å
103	N	95.9	Very high	96.1	Very high	49 Å²	49	39.5 Å²	39.5	26%	0.262	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	5.3	-178.9	-67.9	-23.1	0	0	0	114.1	T101 C112 R113 W116 C121	T101-N103 PolarHBondContact O-N 2.91Å; N103-C112 CarbonylContact O-C 3.52Å; N103-C112 WeakPolarHBondContact O-CA 2.73Å; N103-R113 PolarHBondContact O-N 3.29Å; N103-W116 HydrophobicContact CB-CD2 4.37Å; N103-W116 HydrophobicContact CB-CG 4.27Å; N103-W116 VanDerWaalsContact ND2-CD2 3.34Å; N103-W116 VanDerWaalsContact ND2-CE2 3.34Å; N103-W116 WeakPolarHBondContact ND2-CZ2 3.13Å; N103-C121 HydrophobicContact CB-CB 3.71Å; N103-C121 WeakPolarHBondContact CB-O 3.4Å; N103-C121 PolarHBondContact ND2-O 3.45Å; N103-C121 VanDerWaalsContact ND2-O 3.09Å; N103-C121 WeakPolarHBondContact O-CB 2.94Å
104	F	96.8	Very high	95.7	Very high	30 Å²	30	40.1 Å²	40.1	13%	0.132	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	151.6	169.2	-63.2	-68.1	0	0	0	110.5	R61 C100 T101 C109 R111 C121	R61-F104 HydrophobicContact CB-CD2 4.19Å; R61-F104 HydrophobicContact CB-CG 4.22Å; R61-F104 HydrophobicContact CG-CD1 4.1Å; R61-F104 HydrophobicContact CG-CD2 4.1Å; R61-F104 HydrophobicContact CG-CE1 4.02Å; R61-F104 HydrophobicContact CG-CE2 4.01Å; R61-F104 HydrophobicContact CG-CG 4.16Å; R61-F104 HydrophobicContact CG-CZ 3.97Å; C100-F104 HydrophobicContact CB-CB 4.09Å; C100-F104 VanDerWaalsContact CB-O 3.26Å; C100-F104 WeakPolarHBondContact CB-O 3.1Å; T101-F104 WeakPolarHBondContact O-CB 2.95Å; T101-F104 VanDerWaalsContact O-CD2 3.27Å; T101-F104 WeakPolarHBondContact O-CD2 3.36Å; T101-F104 PolarHBondContact O-N 2.62Å; T101-F104 VanDerWaalsContact O-N 3.12Å; F104-C109 HydrophobicContact CB-CB 4.5Å; F104-R111 CarbonylContact C-O 3.54Å; F104-R111 WeakPolarHBondContact CA-O 3.08Å; F104-C121 HydrophobicContact CD1-CB 4.29Å; F104-C121 WeakPolarHBondContact CD1-SG 3.48Å; F104-C121 HydrophobicContact CE1-CB 4.32Å; F104-C121 VanDerWaalsContact CE1-SG 3.59Å
105	S	94.6	Very high	95.4	Very high	48 Å²	48	40.5 Å²	40.5	34%	0.336	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	-179.3	-177.7	-167.3	0	0	0	0	111.4	C109 G110 R111	S105-C109 CarbonylContact O-C 3.53Å; S105-C109 VanDerWaalsContact O-CA 3.25Å; S105-C109 WeakPolarHBondContact O-CA 3.32Å; S105-G110 PolarHBondContact O-N 2.84Å; S105-R111 PolarHBondContact N-O 3.47Å; S105-R111 CarbonylContact O-C 3.38Å; S105-R111 WeakPolarHBondContact O-CA 3.48Å; S105-R111 PolarHBondContact O-N 3.34Å
106	G	93.6	Very high	95.2	Very high	13 Å²	13	39 Å²	39	13%	0.134	21%	0.212	C	C	.	.	S	Bend	trans	88.3	167.5	-178	0	0	0	0	0	112.6	C100 N108 C109	C100-G106 PolarHBondContact SG-O 2.82Å; G106-N108 PolarHBondContact O-N 3.08Å; G106-N108 VanDerWaalsContact O-N 3.07Å; G106-C109 PolarHBondContact O-N 2.87Å; G106-C109 VanDerWaalsContact O-N 3.07Å
107	Y	95.2	Very high	94.9	Very high	20 Å²	20	37.6 Å²	37.6	8%	0.078	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.2	-171.6	70.2	-91.9	0	0	0	115.9	P29 P45 C98 D157	P29-Y107 HydrophobicContact CB-CD2 3.55Å; P29-Y107 HydrophobicContact CB-CE2 3.69Å; P29-Y107 HydrophobicContact CB-CG 4.02Å; P29-Y107 VanDerWaalsContact CG-CB 3.45Å; P29-Y107 HydrophobicContact CG-CD1 4.01Å; P29-Y107 HydrophobicContact CG-CD2 3.18Å; P29-Y107 HydrophobicContact CG-CE2 3.88Å; P29-Y107 HydrophobicContact CG-CG 3.26Å; P45-Y107 HydrophobicContact CB-CE2 4.25Å; P45-Y107 HydrophobicContact CG-CD2 3.36Å; P45-Y107 HydrophobicContact CG-CE2 3.48Å; P45-Y107 VanDerWaalsContact CG-CE2 3.48Å; C98-Y107 WeakPolarHBondContact CB-O 3.31Å; C98-Y107 PolarHBondContact SG-O 3.15Å; Y107-D157 HydrophobicContact CD1-CB 4.36Å; Y107-D157 HydrophobicContact CE1-CB 3.67Å; Y107-D157 VanDerWaalsContact CE1-OD1 3.28Å; Y107-D157 WeakPolarHBondContact CE1-OD1 3.36Å; Y107-D157 PolarHBondContact OH-OD1 2.99Å
108	N	96.6	Very high	94.7	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.027	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	10.4	176.3	58.1	9.3	0	0	0	112.8	P45 A46 P47 C55 G106 G110	P45-N108 HydrophobicContact CG-CB 4.11Å; P45-N108 WeakPolarHBondContact O-CB 3.26Å; A46-N108 PolarHBondContact O-ND2 3.46Å; P47-N108 HydrophobicContact CB-CB 4.43Å; C55-N108 CarbonylContact C-O 3.46Å; G106-N108 PolarHBondContact O-N 3.08Å; G106-N108 VanDerWaalsContact O-N 3.07Å; N108-G110 PolarHBondContact O-N 3.13Å; N108-G110 WeakPolarHBondContact OD1-CA 3.28Å; N108-G110 PolarHBondContact OD1-N 2.84Å
109	C	97.5	Very high	94.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	59	22.6	-172.1	-50.7	0	0	0	0	114.6	C55 R61 C100 F104 S105 G106	C55-C109 WeakPolarHBondContact O-CB 3.25Å; R61-C109 HydrophobicContact CB-CB 4.03Å; R61-C109 PolarHBondContact NH1-O 3.42Å; R61-C109 WeakPolarHBondContact O-CB 3.29Å; C100-C109 WeakPolarHBondContact CA-SG 3Å; C100-C109 HydrophobicContact CB-CB 3.77Å; C100-C109 WeakPolarHBondContact CB-SG 3.27Å; C100-C109 WeakPolarHBondContact SG-CA 3.2Å; C100-C109 WeakPolarHBondContact SG-CB 3.41Å; C100-C109 CovalentContact SG-SG 2.05Å; C100-C109 PolarHBondContact SG-SG 2.89Å; F104-C109 HydrophobicContact CB-CB 4.5Å; S105-C109 CarbonylContact O-C 3.53Å; S105-C109 VanDerWaalsContact O-CA 3.25Å; S105-C109 WeakPolarHBondContact O-CA 3.32Å; G106-C109 PolarHBondContact O-N 2.87Å; G106-C109 VanDerWaalsContact O-N 3.07Å
110	G	94.7	Very high	94.2	Very high	24 Å²	24	41.6 Å²	41.6	25%	0.247	25%	0.252	C	S	.	.			trans	-79.3	-21.2	177.6	0	0	0	0	0	113.9	R61 S105 N108	R61-G110 PolarHBondContact NH1-O 3.26Å; S105-G110 PolarHBondContact O-N 2.84Å; N108-G110 PolarHBondContact O-N 3.13Å; N108-G110 WeakPolarHBondContact OD1-CA 3.28Å; N108-G110 PolarHBondContact OD1-N 2.84Å
111	R	92.8	Very high	94.1	Very high	47 Å²	47	40.3 Å²	40.3	18%	0.177	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	174.7	-176	-59	-173.4	-175.6	-176.4	9.3	111.5	F104 S105 D157 D233 D236	F104-R111 CarbonylContact C-O 3.54Å; F104-R111 WeakPolarHBondContact CA-O 3.08Å; S105-R111 PolarHBondContact N-O 3.47Å; S105-R111 CarbonylContact O-C 3.38Å; S105-R111 WeakPolarHBondContact O-CA 3.48Å; S105-R111 PolarHBondContact O-N 3.34Å; R111-D157 IonicContact CZ-OD2 3.51Å; R111-D157 IonicContact NH2-OD2 3.14Å; R111-D157 PolarHBondContact NH2-OD2 3.42Å; R111-D233 IonicContact NH1-OD1 2.89Å; R111-D236 IonicContact CZ-OD2 3.62Å; R111-D236 IonicContact NE-OD2 3.58Å; R111-D236 IonicContact NH1-OD2 3.75Å; R111-D236 PolarHBondContact NH1-OD2 2.87Å; R111-D236 IonicContact NH2-OD2 3.78Å
112	C	93.6	Very high	94	Very high	15 Å²	15	41.3 Å²	41.3	10%	0.101	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	154	169.1	-58.9	0	0	0	0	110.6	N103 W116 G118 C121	N103-C112 CarbonylContact O-C 3.52Å; N103-C112 WeakPolarHBondContact O-CA 2.73Å; C112-W116 HydrophobicContact CB-CB 4.03Å; C112-W116 VanDerWaalsContact CB-O 3.26Å; C112-W116 WeakPolarHBondContact CB-O 2.72Å; C112-G118 PolarHBondContact SG-O 2.87Å; C112-G118 VanDerWaalsContact SG-O 3.38Å; C112-C121 WeakPolarHBondContact CA-SG 3.48Å; C112-C121 HydrophobicContact CB-CB 3.62Å; C112-C121 WeakPolarHBondContact CB-SG 3.45Å; C112-C121 WeakPolarHBondContact SG-CA 3.49Å; C112-C121 WeakPolarHBondContact SG-CB 3.32Å; C112-C121 CovalentContact SG-SG 2.04Å; C112-C121 PolarHBondContact SG-SG 3.32Å
113	R	91.8	Very high	94	Very high	126 Å²	126	44.3 Å²	44.3	48%	0.475	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-55.3	152.6	165.7	-72	-173.7	-176.3	-159.5	-1.9	109.8	G102 N103 W116	G102-R113 PolarHBondContact O-NE 3.32Å; G102-R113 PolarHBondContact O-NH2 3.25Å; N103-R113 PolarHBondContact O-N 3.29Å; R113-W116 WeakPolarHBondContact O-CB 3.04Å; R113-W116 PolarHBondContact O-N 3.23Å
114	H	90.3	Very high	93.8	Very high	20 Å²	20	50.7 Å²	50.7	9%	0.093	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	142.2	176.4	-163.9	-56	0	0	0	110.4	W116 L228 E231 L459	H114-W116 VanDerWaalsContact C-N 3.28Å; H114-W116 PolarHBondContact O-N 3.42Å; H114-L228 HydrophobicContact CB-CD1 4.15Å; H114-L228 HydrophobicContact CB-CG 4.45Å; H114-L228 WeakPolarHBondContact CD2-CD1 3.42Å; H114-E231 IonicContact CD2-OE2 3.85Å; H114-E231 IonicContact CE1-OE2 3.4Å; H114-E231 PolarHBondContact CE1-OE2 2.93Å; H114-E231 IonicContact NE2-OE2 2.74Å; H114-E231 PolarHBondContact NE2-OE2 3.46Å; H114-L459 WeakPolarHBondContact CB-O 3.41Å; H114-L459 PolarHBondContact ND1-O 3.4Å
115	G	89.8	Confident	93.7	Very high	8 Å²	8	51.1 Å²	51.1	8%	0.082	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	1.3	-169.4	0	0	0	0	0	115.8	R124 I125	G115-R124 CarbonylContact O-C 3.47Å; G115-R124 WeakPolarHBondContact O-CA 3.37Å; G115-I125 PolarHBondContact O-N 2.84Å
116	W	93.3	Very high	93.5	Very high	57 Å²	57	53.1 Å²	53.1	22%	0.216	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	150.2	177.1	-61.1	87.2	0	0	0	112.8	N103 C112 R113 H114 C121 Q123 R124	N103-W116 HydrophobicContact CB-CD2 4.37Å; N103-W116 HydrophobicContact CB-CG 4.27Å; N103-W116 VanDerWaalsContact ND2-CD2 3.34Å; N103-W116 VanDerWaalsContact ND2-CE2 3.34Å; N103-W116 WeakPolarHBondContact ND2-CZ2 3.13Å; C112-W116 HydrophobicContact CB-CB 4.03Å; C112-W116 VanDerWaalsContact CB-O 3.26Å; C112-W116 WeakPolarHBondContact CB-O 2.72Å; R113-W116 WeakPolarHBondContact O-CB 3.04Å; R113-W116 PolarHBondContact O-N 3.23Å; H114-W116 VanDerWaalsContact C-N 3.28Å; H114-W116 PolarHBondContact O-N 3.42Å; W116-C121 VanDerWaalsContact CE3-O 3.27Å; W116-Q123 CarbonylContact C-O 3.51Å; W116-Q123 VanDerWaalsContact CA-O 3.27Å; W116-Q123 WeakPolarHBondContact CA-O 3.37Å; W116-R124 HydrophobicContact CD2-CG 4.32Å; W116-R124 HydrophobicContact CE3-CG 3.96Å; W116-R124 HydrophobicContact CH2-CG 3.84Å; W116-R124 HydrophobicContact CZ2-CG 4.17Å; W116-R124 HydrophobicContact CZ3-CG 3.7Å
117	T	93.5	Very high	93.6	Very high	47 Å²	47	52.6 Å²	52.6	29%	0.288	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	-176.8	178	-162.4	0	0	0	0	112.1	C121 D122 Q123 I125	T117-C121 CarbonylContact O-C 3.55Å; T117-C121 VanDerWaalsContact O-CA 3.29Å; T117-C121 WeakPolarHBondContact O-CA 3.2Å; T117-D122 PolarHBondContact O-N 3.37Å; T117-Q123 HydrophobicContact CG2-CB 3.6Å; T117-Q123 PolarHBondContact N-O 3.4Å; T117-Q123 PolarHBondContact O-N 2.74Å; T117-I125 VanDerWaalsContact CB-CD1 3.44Å; T117-I125 HydrophobicContact CG2-CD1 3.49Å; T117-I125 VanDerWaalsContact CG2-CD1 3.49Å; T117-I125 HydrophobicContact CG2-CG1 3.67Å
118	G	92.2	Very high	93.7	Very high	25 Å²	25	54 Å²	54	26%	0.258	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	165	-178	0	0	0	0	0	112.2	C112 N120 C121	C112-G118 PolarHBondContact SG-O 2.87Å; C112-G118 VanDerWaalsContact SG-O 3.38Å; G118-N120 PolarHBondContact O-N 3.39Å; G118-N120 VanDerWaalsContact O-N 3.13Å; G118-C121 PolarHBondContact O-N 2.88Å
119	A	91.7	Very high	93.8	Very high	76 Å²	76	53.8 Å²	53.8	63%	0.628	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.9	-177.5	0	0	0	0	0	113.5	R61	R61-A119 PolarHBondContact NH2-O 3.47Å
120	N	93.9	Very high	93.8	Very high	109 Å²	109	57 Å²	57	58%	0.583	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	4.9	-179.1	-61.7	-34.5	0	0	0	113.6	G118 D122	G118-N120 PolarHBondContact O-N 3.39Å; G118-N120 VanDerWaalsContact O-N 3.13Å; N120-D122 VanDerWaalsContact C-N 3.29Å; N120-D122 PolarHBondContact O-N 2.99Å
121	C	95.3	Very high	94	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.014	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	39.9	-179	-52.4	0	0	0	0	114.1	N103 F104 C112 W116 T117 G118	N103-C121 HydrophobicContact CB-CB 3.71Å; N103-C121 WeakPolarHBondContact CB-O 3.4Å; N103-C121 PolarHBondContact ND2-O 3.45Å; N103-C121 VanDerWaalsContact ND2-O 3.09Å; N103-C121 WeakPolarHBondContact O-CB 2.94Å; F104-C121 HydrophobicContact CD1-CB 4.29Å; F104-C121 WeakPolarHBondContact CD1-SG 3.48Å; F104-C121 HydrophobicContact CE1-CB 4.32Å; F104-C121 VanDerWaalsContact CE1-SG 3.59Å; C112-C121 WeakPolarHBondContact CA-SG 3.48Å; C112-C121 HydrophobicContact CB-CB 3.62Å; C112-C121 WeakPolarHBondContact CB-SG 3.45Å; C112-C121 WeakPolarHBondContact SG-CA 3.49Å; C112-C121 WeakPolarHBondContact SG-CB 3.32Å; C112-C121 CovalentContact SG-SG 2.04Å; C112-C121 PolarHBondContact SG-SG 3.32Å; W116-C121 VanDerWaalsContact CE3-O 3.27Å; T117-C121 CarbonylContact O-C 3.55Å; T117-C121 VanDerWaalsContact O-CA 3.29Å; T117-C121 WeakPolarHBondContact O-CA 3.2Å; G118-C121 PolarHBondContact O-N 2.88Å
122	D	95.6	Very high	94.3	Very high	96 Å²	96	54.6 Å²	54.6	51%	0.513	29%	0.285	S	S	.	.			trans	-111.7	-4.3	-175.9	57.5	-9.5	0	0	0	113.4	T117 N120	T117-D122 PolarHBondContact O-N 3.37Å; N120-D122 VanDerWaalsContact C-N 3.29Å; N120-D122 PolarHBondContact O-N 2.99Å
123	Q	94.8	Very high	94.5	Very high	114 Å²	114	57.5 Å²	57.5	53%	0.533	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126.8	178.4	-61.9	174.1	9.3	0	0	110.1	W116 T117	W116-Q123 CarbonylContact C-O 3.51Å; W116-Q123 VanDerWaalsContact CA-O 3.27Å; W116-Q123 WeakPolarHBondContact CA-O 3.37Å; T117-Q123 HydrophobicContact CG2-CB 3.6Å; T117-Q123 PolarHBondContact N-O 3.4Å; T117-Q123 PolarHBondContact O-N 2.74Å
124	R	93.1	Very high	94.8	Very high	183 Å²	183	56.6 Å²	56.6	69%	0.691	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	145.7	176.5	-72.7	-169.2	173.7	-148.7	-0.9	111.9	G115 W116	G115-R124 CarbonylContact O-C 3.47Å; G115-R124 WeakPolarHBondContact O-CA 3.37Å; W116-R124 HydrophobicContact CD2-CG 4.32Å; W116-R124 HydrophobicContact CE3-CG 3.96Å; W116-R124 HydrophobicContact CH2-CG 3.84Å; W116-R124 HydrophobicContact CZ2-CG 4.17Å; W116-R124 HydrophobicContact CZ3-CG 3.7Å
125	I	93.1	Very high	95.1	Very high	39 Å²	39	56.7 Å²	56.7	20%	0.2	30%	0.3	C	S	.	.			trans	-122.7	142.1	170.6	-61.5	-178.6	0	0	0	108.8	G115 T117 V127 P241	G115-I125 PolarHBondContact O-N 2.84Å; T117-I125 VanDerWaalsContact CB-CD1 3.44Å; T117-I125 HydrophobicContact CG2-CD1 3.49Å; T117-I125 VanDerWaalsContact CG2-CD1 3.49Å; T117-I125 HydrophobicContact CG2-CG1 3.67Å; I125-V127 HydrophobicContact CG2-CG2 4.25Å; I125-P241 HydrophobicContact CD1-CB 3.42Å; I125-P241 VanDerWaalsContact CD1-CB 3.42Å; I125-P241 HydrophobicContact CD1-CG 3.54Å
126	S	90.6	Very high	95.5	Very high	90 Å²	90	58.6 Å²	58.6	63%	0.629	31%	0.312	S	S	*	.			trans	-90	115.6	172.3	-172.3	0	0	0	0	109.8
127	V	95.9	Very high	95.8	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.012	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	115.8	171	-175.5	0	0	0	0	107.7	I125 A244 Y461 S462	I125-V127 HydrophobicContact CG2-CG2 4.25Å; V127-A244 HydrophobicContact CG1-CB 3.54Å; V127-Y461 CarbonylContact O-C 3.59Å; V127-Y461 VanDerWaalsContact O-CA 3.26Å; V127-Y461 WeakPolarHBondContact O-CA 3.34Å; V127-S462 PolarHBondContact O-N 3.4Å
128	V	97.8	Very high	96	Very high	50 Å²	50	63.5 Å²	63.5	30%	0.303	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	114	-175.5	-173.6	0	0	0	0	109.4	R130 A244 S462 E464	V128-R130 HydrophobicContact CG1-CG 4.12Å; V128-A244 WeakPolarHBondContact O-CB 3.19Å; V128-S462 WeakPolarHBondContact CA-O 3.2Å; V128-E464 HydrophobicContact CG1-CB 4Å
129	R	98.6	Very high	96.3	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	118.9	175.7	-61.1	-170.1	178	158.5	4.9	109	E231 A244 L245 D407 Y461 S462 Y463 E464	R129-E231 IonicContact CZ-OE1 2.8Å; R129-E231 IonicContact CZ-OE2 3.78Å; R129-E231 IonicContact NE-OE1 3.25Å; R129-E231 PolarHBondContact NE-OE1 3.19Å; R129-E231 IonicContact NE-OE2 3.25Å; R129-E231 IonicContact NH2-OE1 3.31Å; R129-E231 IonicContact NH2-OE2 3.89Å; R129-E231 PolarHBondContact NH2-OE2 3.47Å; R129-A244 HydrophobicContact CG-CB 4.34Å; R129-L245 WeakPolarHBondContact CB-O 3.43Å; R129-L245 WeakPolarHBondContact CD-O 3.42Å; R129-L245 WeakPolarHBondContact CG-O 3.47Å; R129-D407 IonicContact NH1-OD2 2.82Å; R129-D407 PolarHBondContact NH1-OD2 3.46Å; R129-D407 VanDerWaalsContact NH1-OD2 3.1Å; R129-Y461 HydrophobicContact CG-CD2 4.41Å; R129-S462 PolarHBondContact N-O 3.21Å; R129-Y463 HydrophobicContact CB-CD1 3.6Å; R129-Y463 HydrophobicContact CB-CE1 3.54Å; R129-Y463 HydrophobicContact CB-CG 4.42Å; R129-Y463 HydrophobicContact CG-CE1 4.21Å; R129-Y463 PolarHBondContact NH1-OH 3.17Å; R129-Y463 WeakPolarHBondContact O-CA 3.46Å; R129-E464 PolarHBondContact O-N 3.38Å
130	R	98.6	Very high	96.6	Very high	67 Å²	67	64 Å²	64	25%	0.253	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	160	-172.9	-58	174.6	64.3	-141.3	-7.7	111.1	V128 V132 L135 E139 P246 Y247 E464	V128-R130 HydrophobicContact CG1-CG 4.12Å; R130-V132 PolarHBondContact O-N 3.15Å; R130-L135 HydrophobicContact CB-CD2 4.11Å; R130-E139 IonicContact NH1-OE1 3.14Å; R130-E139 PolarHBondContact NH1-OE1 2.69Å; R130-E139 VanDerWaalsContact NH1-OE1 3.09Å; R130-E139 IonicContact NH1-OE2 3.56Å; R130-E139 PolarHBondContact NH1-OE2 3.09Å; R130-P246 CarbonylContact O-C 3.55Å; R130-P246 WeakPolarHBondContact O-CA 3.2Å; R130-P246 VanDerWaalsContact O-CB 3.25Å; R130-P246 WeakPolarHBondContact O-CB 3.38Å; R130-Y247 WeakPolarHBondContact O-CD1 3.32Å; R130-Y247 PolarHBondContact O-N 2.6Å; R130-E464 WeakPolarHBondContact CD-OE2 3.27Å; R130-E464 HydrophobicContact CG-CB 4.12Å; R130-E464 WeakPolarHBondContact CG-OE2 3.4Å; R130-E464 IonicContact CZ-OE2 2.81Å; R130-E464 IonicContact NE-OE2 2.71Å; R130-E464 PolarHBondContact NE-OE2 2.66Å; R130-E464 IonicContact NH2-OE2 3.47Å
131	N	98.6	Very high	96.8	Very high	21 Å²	21	66 Å²	66	11%	0.112	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-62.7	122.6	173.3	-171.4	-29.5	0	0	0	109.6	M133 Q134 L135 Y247	N131-M133 PolarHBondContact O-N 2.93Å; N131-M133 VanDerWaalsContact O-N 3.08Å; N131-M133 WeakPolarHBondContact OD1-CB 3.24Å; N131-M133 PolarHBondContact OD1-N 3.45Å; N131-Q134 HydrophobicContact CB-CB 4.27Å; N131-Q134 HydrophobicContact CB-CG 4Å; N131-Q134 PolarHBondContact O-N 2.68Å; N131-L135 PolarHBondContact O-N 3.3Å; N131-Y247 HydrophobicContact CB-CE1 4.18Å; N131-Y247 HydrophobicContact CB-CE2 3.83Å
132	V	98.6	Very high	97	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-56.8	-29.6	-178.9	74	0	0	0	0	112.4	R130 Q134 L135 K140 P246 Y247 W248 I259 L264 L401	R130-V132 PolarHBondContact O-N 3.15Å; V132-Q134 VanDerWaalsContact C-N 3.31Å; V132-Q134 PolarHBondContact O-N 2.95Å; V132-L135 HydrophobicContact CG2-CD1 4.25Å; V132-L135 PolarHBondContact O-N 2.99Å; V132-K140 WeakPolarHBondContact O-CE 3.14Å; V132-P246 HydrophobicContact CB-CB 4.01Å; V132-P246 HydrophobicContact CB-CG 4.35Å; V132-P246 HydrophobicContact CG2-CB 4.25Å; V132-P246 HydrophobicContact CG2-CG 4.11Å; V132-Y247 WeakPolarHBondContact CB-O 2.99Å; V132-Y247 WeakPolarHBondContact CG1-O 3.33Å; V132-Y247 PolarHBondContact N-O 3.41Å; V132-W248 HydrophobicContact CG1-CB 4.47Å; V132-I259 HydrophobicContact CG1-CG2 3.71Å; V132-L264 HydrophobicContact CG1-CD2 4Å; V132-L264 HydrophobicContact CG2-CD1 3.61Å; V132-L264 HydrophobicContact CG2-CD2 3.72Å; V132-L264 HydrophobicContact CG2-CG 4.19Å; V132-L401 HydrophobicContact CB-CD2 4.06Å; V132-L401 HydrophobicContact CG1-CD1 4.39Å; V132-L401 HydrophobicContact CG1-CD2 4.43Å; V132-L401 HydrophobicContact CG2-CD1 4.49Å; V132-L401 HydrophobicContact CG2-CD2 4.11Å
133	M	97.5	Very high	97.1	Very high	76 Å²	76	64.5 Å²	64.5	37%	0.374	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-73.2	-22.8	179	-65.4	-59.9	-80.7	0	0	113.3	N131 D258 I259 L264	N131-M133 PolarHBondContact O-N 2.93Å; N131-M133 VanDerWaalsContact O-N 3.08Å; N131-M133 WeakPolarHBondContact OD1-CB 3.24Å; N131-M133 PolarHBondContact OD1-N 3.45Å; M133-D258 HydrophobicContact CE-CB 4.32Å; M133-I259 HydrophobicContact CG-CG2 4.14Å; M133-I259 HydrophobicContact SD-CG2 3.7Å; M133-L264 HydrophobicContact SD-CD2 4.48Å
134	Q	97.4	Very high	97.3	Very high	106 Å²	106	59.8 Å²	59.8	50%	0.495	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-92.3	-5.9	179.6	-65	176.9	-12.7	0	0	113.4	N131 V132	N131-Q134 HydrophobicContact CB-CB 4.27Å; N131-Q134 HydrophobicContact CB-CG 4Å; N131-Q134 PolarHBondContact O-N 2.68Å; V132-Q134 VanDerWaalsContact C-N 3.31Å; V132-Q134 PolarHBondContact O-N 2.95Å
135	L	98.1	Very high	97.6	Very high	23 Å²	23	55.2 Å²	55.2	12%	0.12	29%	0.292	C	S	.	.	S	Bend	trans	-67.6	148.5	173.9	-63.7	-175.1	0	0	0	111.5	R130 N131 V132 E139 K140 P246	R130-L135 HydrophobicContact CB-CD2 4.11Å; N131-L135 PolarHBondContact O-N 3.3Å; V132-L135 HydrophobicContact CG2-CD1 4.25Å; V132-L135 PolarHBondContact O-N 2.99Å; L135-E139 WeakPolarHBondContact CA-OE2 3.48Å; L135-E139 HydrophobicContact CB-CB 3.84Å; L135-E139 HydrophobicContact CD1-CB 4.38Å; L135-E139 HydrophobicContact CD2-CB 4.34Å; L135-E139 HydrophobicContact CG-CB 4.41Å; L135-K140 HydrophobicContact CB-CG 3.85Å; L135-K140 WeakPolarHBondContact O-CE 3.49Å; L135-P246 HydrophobicContact CD1-CB 3.97Å; L135-P246 HydrophobicContact CD1-CG 4.15Å
136	S	98.3	Very high	97.9	Very high	47 Å²	47	53.5 Å²	53.5	33%	0.329	28%	0.284	S	S	.	.			trans	-63.3	163	170.9	97.5	0	0	0	0	111.3	E138 E139 K140	S136-E138 PolarHBondContact O-N 2.61Å; S136-E138 PolarHBondContact OG-N 2.93Å; S136-E138 PolarHBondContact OG-OE2 2.85Å; S136-E139 PolarHBondContact N-OE2 2.86Å; S136-E139 PolarHBondContact O-N 2.98Å; S136-E139 PolarHBondContact OG-N 3.47Å; S136-E139 VanDerWaalsContact OG-N 3.15Å; S136-K140 WeakPolarHBondContact O-CG 3.3Å; S136-K140 PolarHBondContact O-N 3.43Å
137	S	97.9	Very high	98.3	Very high	79 Å²	79	49.2 Å²	49.2	55%	0.552	25%	0.254	S	S	*	.	H	α-helix	trans	-60.6	-33.1	175.6	-61.5	0	0	0	0	112.7	R141	S137-R141 WeakPolarHBondContact O-CB 3.42Å; S137-R141 PolarHBondContact O-N 3.31Å; S137-R141 VanDerWaalsContact O-N 3.17Å
138	E	98.3	Very high	98.4	Very high	128 Å²	128	50 Å²	50	60%	0.598	26%	0.258	S	S	*	.	H	α-helix	trans	-70	-44.8	173.9	-61.1	73.7	-156.3	0	0	111.6	S136 R141 A142	S136-E138 PolarHBondContact O-N 2.61Å; S136-E138 PolarHBondContact OG-N 2.93Å; S136-E138 PolarHBondContact OG-OE2 2.85Å; E138-R141 PolarHBondContact O-N 3.34Å; E138-A142 WeakPolarHBondContact O-CB 3.28Å; E138-A142 PolarHBondContact O-N 3.4Å
139	E	98.4	Very high	98.5	Very high	81 Å²	81	51.6 Å²	51.6	38%	0.379	26%	0.262	S	S	.	.	H	α-helix	trans	-62.4	-44.3	177.8	-70.8	177.7	133.3	0	0	111.3	R130 L135 S136 R141 A142 F143	R130-E139 IonicContact NH1-OE1 3.14Å; R130-E139 PolarHBondContact NH1-OE1 2.69Å; R130-E139 VanDerWaalsContact NH1-OE1 3.09Å; R130-E139 IonicContact NH1-OE2 3.56Å; R130-E139 PolarHBondContact NH1-OE2 3.09Å; L135-E139 WeakPolarHBondContact CA-OE2 3.48Å; L135-E139 HydrophobicContact CB-CB 3.84Å; L135-E139 HydrophobicContact CD1-CB 4.38Å; L135-E139 HydrophobicContact CD2-CB 4.34Å; L135-E139 HydrophobicContact CG-CB 4.41Å; S136-E139 PolarHBondContact N-OE2 2.86Å; S136-E139 PolarHBondContact O-N 2.98Å; S136-E139 PolarHBondContact OG-N 3.47Å; S136-E139 VanDerWaalsContact OG-N 3.15Å; E139-R141 PolarHBondContact O-N 3.29Å; E139-A142 PolarHBondContact O-N 3.26Å; E139-F143 WeakPolarHBondContact O-CB 3.4Å; E139-F143 PolarHBondContact O-N 2.91Å
140	K	98.6	Very high	98.5	Very high	30 Å²	30	51.6 Å²	51.6	13%	0.13	26%	0.262	C	S	.	.	H	α-helix	trans	-57.9	-47.5	174	-71.4	178.6	179.3	177	0	111.6	V132 L135 S136 A142 F143 V144 L264	V132-K140 WeakPolarHBondContact O-CE 3.14Å; L135-K140 HydrophobicContact CB-CG 3.85Å; L135-K140 WeakPolarHBondContact O-CE 3.49Å; S136-K140 WeakPolarHBondContact O-CG 3.3Å; S136-K140 PolarHBondContact O-N 3.43Å; K140-A142 PolarHBondContact O-N 2.63Å; K140-F143 PolarHBondContact O-N 3.22Å; K140-V144 WeakPolarHBondContact O-CG2 3.23Å; K140-V144 PolarHBondContact O-N 2.92Å; K140-L264 HydrophobicContact CB-CD1 3.94Å; K140-L264 HydrophobicContact CD-CD1 4.24Å; K140-L264 HydrophobicContact CG-CD1 3.9Å
141	R	98.4	Very high	98.5	Very high	153 Å²	153	48.8 Å²	48.8	58%	0.577	25%	0.252	S	S	*	.	H	α-helix	trans	-63.8	-41.7	178.3	-170.3	-176.3	-54.8	160	8.6	111.9	S137 E138 E139 F143 V144 N145	S137-R141 WeakPolarHBondContact O-CB 3.42Å; S137-R141 PolarHBondContact O-N 3.31Å; S137-R141 VanDerWaalsContact O-N 3.17Å; E138-R141 PolarHBondContact O-N 3.34Å; E139-R141 PolarHBondContact O-N 3.29Å; R141-F143 VanDerWaalsContact C-N 3.34Å; R141-V144 PolarHBondContact O-N 2.63Å; R141-N145 VanDerWaalsContact O-CB 3.28Å; R141-N145 WeakPolarHBondContact O-CB 3.36Å; R141-N145 PolarHBondContact O-N 2.93Å; R141-N145 PolarHBondContact O-ND2 2.9Å
142	A	98.6	Very high	98.5	Very high	58 Å²	58	54.4 Å²	54.4	48%	0.479	27%	0.271	S	S	.	.	H	α-helix	trans	-61.4	-43.9	176.6	0	0	0	0	0	111.1	E138 E139 K140 N145 A146	E138-A142 WeakPolarHBondContact O-CB 3.28Å; E138-A142 PolarHBondContact O-N 3.4Å; E139-A142 PolarHBondContact O-N 3.26Å; K140-A142 PolarHBondContact O-N 2.63Å; A142-N145 PolarHBondContact O-N 3.36Å; A142-A146 VanDerWaalsContact O-CB 3.31Å; A142-A146 WeakPolarHBondContact O-CB 3.41Å; A142-A146 PolarHBondContact O-N 3.46Å
143	F	98.8	Very high	98.5	Very high	7 Å²	7	56.7 Å²	56.7	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-62.4	-48.9	175.9	173.3	-114.2	0	0	0	112.8	E139 K140 R141 N145 A146 L147 F243 L245 P246 M265 L401	E139-F143 WeakPolarHBondContact O-CB 3.4Å; E139-F143 PolarHBondContact O-N 2.91Å; K140-F143 PolarHBondContact O-N 3.22Å; R141-F143 VanDerWaalsContact C-N 3.34Å; F143-N145 VanDerWaalsContact C-N 3.32Å; F143-N145 PolarHBondContact O-N 3.02Å; F143-A146 WeakPolarHBondContact O-CB 3.3Å; F143-A146 PolarHBondContact O-N 3.32Å; F143-L147 HydrophobicContact CD1-CD1 4.4Å; F143-L147 HydrophobicContact CD2-CG 4.46Å; F143-L147 HydrophobicContact CE1-CD1 3.69Å; F143-L147 HydrophobicContact CE1-CG 4.5Å; F143-L147 HydrophobicContact CE2-CD1 3.94Å; F143-L147 HydrophobicContact CE2-CD2 4.28Å; F143-L147 HydrophobicContact CE2-CG 3.93Å; F143-L147 HydrophobicContact CZ-CD1 3.44Å; F143-L147 VanDerWaalsContact CZ-CD1 3.44Å; F143-L147 HydrophobicContact CZ-CD2 4.41Å; F143-L147 HydrophobicContact CZ-CG 3.97Å; F143-L147 PolarHBondContact O-N 3.17Å; F143-F243 HydrophobicContact CD2-CE2 4.43Å; F143-F243 HydrophobicContact CD2-CZ 4.26Å; F143-L245 HydrophobicContact CE2-CD2 4.32Å; F143-P246 HydrophobicContact CD1-CG 3.93Å; F143-P246 HydrophobicContact CD2-CG 3.8Å; F143-P246 HydrophobicContact CE1-CG 3.88Å; F143-P246 HydrophobicContact CE2-CG 3.77Å; F143-P246 HydrophobicContact CG-CG 3.88Å; F143-P246 HydrophobicContact CZ-CG 3.78Å; F143-M265 HydrophobicContact CE1-SD 4.26Å; F143-L401 HydrophobicContact CE1-CD1 4.38Å; F143-L401 HydrophobicContact CE1-CD2 3.79Å; F143-L401 HydrophobicContact CE1-CG 4.29Å; F143-L401 HydrophobicContact CZ-CD2 3.79Å; F143-L401 HydrophobicContact CZ-CG 4.32Å
144	V	98.8	Very high	98.5	Very high	15 Å²	15	56.5 Å²	56.5	9%	0.091	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-43.6	176.9	170.4	0	0	0	0	111.2	K140 R141 L147 N148 L264 I281 F282	K140-V144 WeakPolarHBondContact O-CG2 3.23Å; K140-V144 PolarHBondContact O-N 2.92Å; R141-V144 PolarHBondContact O-N 2.63Å; V144-L147 PolarHBondContact O-N 2.77Å; V144-N148 PolarHBondContact O-N 2.61Å; V144-L264 HydrophobicContact CG2-CD1 4.31Å; V144-L264 WeakPolarHBondContact CG2-O 3.4Å; V144-I281 HydrophobicContact CG1-CG2 3.77Å; V144-F282 HydrophobicContact CG1-CE2 3.98Å; V144-F282 HydrophobicContact CG1-CZ 3.97Å; V144-F282 HydrophobicContact CG2-CE2 4.28Å; V144-F282 HydrophobicContact CG2-CZ 4.49Å
145	N	98.8	Very high	98.5	Very high	87 Å²	87	51.5 Å²	51.5	47%	0.465	27%	0.265	S	S	.	.	H	α-helix	trans	-63.8	-41.3	176.6	-74.1	-16.8	0	0	0	111.9	R141 A142 F143 N148 Q149	R141-N145 VanDerWaalsContact O-CB 3.28Å; R141-N145 WeakPolarHBondContact O-CB 3.36Å; R141-N145 PolarHBondContact O-N 2.93Å; R141-N145 PolarHBondContact O-ND2 2.9Å; A142-N145 PolarHBondContact O-N 3.36Å; F143-N145 VanDerWaalsContact C-N 3.32Å; F143-N145 PolarHBondContact O-N 3.02Å; N145-N148 PolarHBondContact O-N 2.76Å; N145-Q149 WeakPolarHBondContact O-CB 2.94Å; N145-Q149 PolarHBondContact O-N 3.19Å
146	A	98.9	Very high	98.3	Very high	3 Å²	3	53.8 Å²	53.8	3%	0.025	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-44.5	177.4	0	0	0	0	0	111.8	A142 F143 N148 Q149 A150 M234 M237 L238 F243	A142-A146 VanDerWaalsContact O-CB 3.31Å; A142-A146 WeakPolarHBondContact O-CB 3.41Å; A142-A146 PolarHBondContact O-N 3.46Å; F143-A146 WeakPolarHBondContact O-CB 3.3Å; F143-A146 PolarHBondContact O-N 3.32Å; A146-N148 PolarHBondContact O-N 2.84Å; A146-Q149 PolarHBondContact O-N 3.29Å; A146-A150 WeakPolarHBondContact O-CB 3.25Å; A146-A150 PolarHBondContact O-N 3Å; A146-M234 HydrophobicContact CB-CE 3.61Å; A146-M237 WeakPolarHBondContact O-CE 3.32Å; A146-L238 HydrophobicContact CB-CD1 3.9Å; A146-L238 HydrophobicContact CB-CD2 4.17Å; A146-F243 HydrophobicContact CB-CE2 4.14Å; A146-F243 HydrophobicContact CB-CZ 4.47Å
147	L	98.9	Very high	98.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.6	-46.1	174.1	-75.6	178.1	0	0	0	111.6	F143 V144 Q149 A150 K151 Y184 M234 M265 F282 W285 P397 V400	F143-L147 HydrophobicContact CD1-CD1 4.4Å; F143-L147 HydrophobicContact CD2-CG 4.46Å; F143-L147 HydrophobicContact CE1-CD1 3.69Å; F143-L147 HydrophobicContact CE1-CG 4.5Å; F143-L147 HydrophobicContact CE2-CD1 3.94Å; F143-L147 HydrophobicContact CE2-CD2 4.28Å; F143-L147 HydrophobicContact CE2-CG 3.93Å; F143-L147 HydrophobicContact CZ-CD1 3.44Å; F143-L147 VanDerWaalsContact CZ-CD1 3.44Å; F143-L147 HydrophobicContact CZ-CD2 4.41Å; F143-L147 HydrophobicContact CZ-CG 3.97Å; F143-L147 PolarHBondContact O-N 3.17Å; V144-L147 PolarHBondContact O-N 2.77Å; L147-Q149 VanDerWaalsContact C-N 3.32Å; L147-Q149 PolarHBondContact O-N 3.33Å; L147-A150 WeakPolarHBondContact O-CB 3.38Å; L147-A150 PolarHBondContact O-N 3.21Å; L147-K151 PolarHBondContact O-N 3.15Å; L147-Y184 HydrophobicContact CD2-CD2 4.16Å; L147-Y184 HydrophobicContact CD2-CE2 3.88Å; L147-M234 HydrophobicContact CD2-CE 4.03Å; L147-M234 HydrophobicContact CD2-SD 4.21Å; L147-M234 HydrophobicContact CG-CE 4.4Å; L147-M265 HydrophobicContact CD1-CE 4.21Å; L147-F282 HydrophobicContact CB-CE1 4.16Å; L147-F282 HydrophobicContact CB-CZ 4.25Å; L147-F282 HydrophobicContact CD1-CE1 4.39Å; L147-F282 HydrophobicContact CD1-CZ 3.94Å; L147-W285 HydrophobicContact CB-CH2 4.29Å; L147-W285 HydrophobicContact CB-CZ2 4.33Å; L147-W285 WeakPolarHBondContact O-CZ2 3.5Å; L147-P397 HydrophobicContact CD1-CB 4.06Å; L147-V400 HydrophobicContact CD2-CG2 4.47Å
148	N	98.8	Very high	97.9	Very high	20 Å²	20	49.5 Å²	49.5	11%	0.107	25%	0.248	C	C	.	.	H	α-helix	trans	-65.5	-34.9	177.2	178.8	70.5	0	0	0	112.7	V144 N145 A146 K151 R152 I281 W285	V144-N148 PolarHBondContact O-N 2.61Å; N145-N148 PolarHBondContact O-N 2.76Å; A146-N148 PolarHBondContact O-N 2.84Å; N148-K151 PolarHBondContact O-N 3.21Å; N148-R152 PolarHBondContact ND2-NE 3.04Å; N148-R152 WeakPolarHBondContact O-CG 3.28Å; N148-R152 PolarHBondContact O-N 3.03Å; N148-R152 PolarHBondContact OD1-NE 2.9Å; N148-R152 PolarHBondContact OD1-NH2 3.09Å; N148-I281 HydrophobicContact CB-CD1 3.82Å; N148-I281 HydrophobicContact CB-CG1 4.24Å; N148-I281 HydrophobicContact CB-CG2 4.22Å; N148-I281 WeakPolarHBondContact ND2-CD1 3.09Å; N148-I281 WeakPolarHBondContact OD1-CG1 3.42Å; N148-W285 PolarHBondContact OD1-NE1 2.9Å
149	Q	98.9	Very high	97.9	Very high	82 Å²	82	43.6 Å²	43.6	38%	0.383	22%	0.221	S	C	.	.	H	α-helix	trans	-64.8	-42.8	172.5	-170.4	-179.5	-11.2	0	0	110.9	N145 A146 L147 K151 R152 T153 M237	N145-Q149 WeakPolarHBondContact O-CB 2.94Å; N145-Q149 PolarHBondContact O-N 3.19Å; A146-Q149 PolarHBondContact O-N 3.29Å; L147-Q149 VanDerWaalsContact C-N 3.32Å; L147-Q149 PolarHBondContact O-N 3.33Å; Q149-K151 VanDerWaalsContact C-N 3.29Å; Q149-K151 PolarHBondContact O-N 3.3Å; Q149-R152 PolarHBondContact O-N 2.91Å; Q149-R152 VanDerWaalsContact O-N 3.1Å; Q149-T153 VanDerWaalsContact O-CB 3.28Å; Q149-T153 WeakPolarHBondContact O-CB 3.25Å; Q149-T153 PolarHBondContact O-N 3.32Å; Q149-T153 PolarHBondContact O-OG1 3.37Å; Q149-M237 HydrophobicContact CB-CE 3.87Å; Q149-M237 HydrophobicContact CB-SD 4.12Å; Q149-M237 HydrophobicContact CG-CE 3.93Å; Q149-M237 HydrophobicContact CG-CG 4.39Å; Q149-M237 HydrophobicContact CG-SD 3.7Å
150	A	98.9	Very high	97.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.9	-36.3	175.7	0	0	0	0	0	112.2	A146 L147 R152 V183 Y184 M234 M237	A146-A150 WeakPolarHBondContact O-CB 3.25Å; A146-A150 PolarHBondContact O-N 3Å; L147-A150 WeakPolarHBondContact O-CB 3.38Å; L147-A150 PolarHBondContact O-N 3.21Å; A150-R152 VanDerWaalsContact C-N 3.27Å; A150-R152 PolarHBondContact O-N 2.92Å; A150-V183 HydrophobicContact CB-CB 4.08Å; A150-V183 HydrophobicContact CB-CG1 4Å; A150-V183 PolarHBondContact O-N 3.14Å; A150-Y184 PolarHBondContact O-N 3.04Å; A150-M234 HydrophobicContact CB-CG 4.16Å; A150-M237 VanDerWaalsContact CA-SD 3.58Å; A150-M237 HydrophobicContact CB-CE 4.04Å; A150-M237 HydrophobicContact CB-SD 4.13Å
151	K	98.8	Very high	97.8	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.035	20%	0.199	C	C	.	.	H	α-helix	trans	-66.1	-26.2	175	-177.2	65.1	171.4	178.1	0	113.7	L147 N148 Q149 T182 Y184 N185 W285 R286 E306	L147-K151 PolarHBondContact O-N 3.15Å; N148-K151 PolarHBondContact O-N 3.21Å; Q149-K151 VanDerWaalsContact C-N 3.29Å; Q149-K151 PolarHBondContact O-N 3.3Å; K151-T182 VanDerWaalsContact O-CB 3.23Å; K151-T182 WeakPolarHBondContact O-CB 3.1Å; K151-T182 VanDerWaalsContact O-CG2 3.23Å; K151-T182 WeakPolarHBondContact O-CG2 3.36Å; K151-T182 PolarHBondContact O-OG1 2.86Å; K151-Y184 HydrophobicContact CD-CD1 4.16Å; K151-N185 WeakPolarHBondContact CD-OD1 3.5Å; K151-N185 PolarHBondContact NZ-OD1 3.11Å; K151-W285 HydrophobicContact CB-CD2 4.29Å; K151-W285 HydrophobicContact CB-CH2 3.94Å; K151-W285 HydrophobicContact CB-CZ2 3.44Å; K151-W285 VanDerWaalsContact CB-CZ2 3.44Å; K151-W285 HydrophobicContact CD-CD2 4.08Å; K151-W285 HydrophobicContact CD-CE3 4.07Å; K151-W285 HydrophobicContact CD-CZ3 4.31Å; K151-W285 HydrophobicContact CG-CD2 3.76Å; K151-W285 HydrophobicContact CG-CE3 4.23Å; K151-W285 HydrophobicContact CG-CG 4.18Å; K151-W285 HydrophobicContact CG-CH2 4.34Å; K151-W285 HydrophobicContact CG-CZ2 3.89Å; K151-R286 WeakPolarHBondContact CE-O 3.47Å; K151-R286 PolarHBondContact NZ-O 2.95Å; K151-E306 WeakPolarHBondContact CE-OE1 3.36Å; K151-E306 IonicContact NZ-OE1 3.77Å; K151-E306 PolarHBondContact NZ-OE1 2.88Å
152	R	98.6	Very high	97.8	Very high	140 Å²	140	31.5 Å²	31.5	53%	0.528	17%	0.173	S	C	.	.	H	α-helix	trans	-105	-16.8	-176.2	-63.2	177.3	-168.9	-116.9	4.8	113.8	N148 Q149 A150 E284	N148-R152 PolarHBondContact ND2-NE 3.04Å; N148-R152 WeakPolarHBondContact O-CG 3.28Å; N148-R152 PolarHBondContact O-N 3.03Å; N148-R152 PolarHBondContact OD1-NE 2.9Å; N148-R152 PolarHBondContact OD1-NH2 3.09Å; Q149-R152 PolarHBondContact O-N 2.91Å; Q149-R152 VanDerWaalsContact O-N 3.1Å; A150-R152 VanDerWaalsContact C-N 3.27Å; A150-R152 PolarHBondContact O-N 2.92Å; R152-E284 IonicContact CZ-OE2 2.84Å; R152-E284 IonicContact NH2-OE2 3.08Å; R152-E284 PolarHBondContact NH2-OE2 3.03Å
153	T	98.7	Very high	97.7	Very high	48 Å²	48	32.9 Å²	32.9	29%	0.294	17%	0.165	S	C	.	.	S	Bend	trans	-89.6	118.4	-177.4	-56.8	0	0	0	0	109.6	Q149 H155 T182 V183 M237	Q149-T153 VanDerWaalsContact O-CB 3.28Å; Q149-T153 WeakPolarHBondContact O-CB 3.25Å; Q149-T153 PolarHBondContact O-N 3.32Å; Q149-T153 PolarHBondContact O-OG1 3.37Å; T153-H155 PolarHBondContact O-N 3.11Å; T153-T182 CarbonylContact O-C 3.54Å; T153-T182 WeakPolarHBondContact O-CA 3.31Å; T153-T182 VanDerWaalsContact O-CB 3.28Å; T153-T182 WeakPolarHBondContact O-CB 3.33Å; T153-V183 PolarHBondContact O-N 3.24Å; T153-M237 HydrophobicContact CG2-CG 4.28Å; T153-M237 HydrophobicContact CG2-SD 4.33Å
154	V	98.3	Very high	97.5	Very high	72 Å²	72	33.8 Å²	33.8	44%	0.436	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	130.4	171.5	178.4	0	0	0	0	108.7	N180 V181	V154-N180 HydrophobicContact CG1-CB 4.05Å; V154-V181 CarbonylContact C-O 3.58Å; V154-V181 WeakPolarHBondContact CA-O 3.46Å
155	H	97.6	Very high	97.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	128	-178.2	-173.7	-44.5	0	0	0	109.6	R30 T153 D157 L158 V181 V183 D233	R30-H155 PolarHBondContact NH2-O 3.09Å; T153-H155 PolarHBondContact O-N 3.11Å; H155-D157 VanDerWaalsContact C-N 3.35Å; H155-D157 PolarHBondContact ND1-N 2.93Å; H155-D157 PolarHBondContact O-N 3Å; H155-L158 VanDerWaalsContact CB-O 3.3Å; H155-L158 WeakPolarHBondContact CB-O 3.21Å; H155-L158 VanDerWaalsContact CE1-CG 3.41Å; H155-L158 WeakPolarHBondContact CE1-CG 3.5Å; H155-L158 PolarHBondContact ND1-N 2.71Å; H155-L158 WeakPolarHBondContact NE2-CD1 3.5Å; H155-V181 HydrophobicContact CB-CG1 4.38Å; H155-V181 WeakPolarHBondContact CB-O 3.43Å; H155-V181 PolarHBondContact N-O 3.3Å; H155-V183 HydrophobicContact CB-CG2 4.15Å; H155-D233 IonicContact CD2-OD2 3.92Å; H155-D233 IonicContact CE1-OD1 2.87Å; H155-D233 VanDerWaalsContact NE2-CG 3.35Å; H155-D233 IonicContact NE2-OD1 2.75Å; H155-D233 IonicContact NE2-OD2 3.09Å; H155-D233 PolarHBondContact NE2-OD2 2.94Å; H155-D233 VanDerWaalsContact NE2-OD2 3.14Å
156	P	93.6	Very high	97.1	Very high	70 Å²	70	36.8 Å²	36.8	46%	0.455	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	-33.2	-171.5	26.8	-35.5	0	0	0	112.2	S25 R30	S25-P156 PolarHBondContact OG-O 2.8Å; R30-P156 PolarHBondContact NE-O 2.95Å; R30-P156 VanDerWaalsContact NH2-C 3.28Å; R30-P156 PolarHBondContact NH2-O 3.22Å
157	D	92.8	Very high	97	Very high	29 Å²	29	41 Å²	41	16%	0.155	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-9.7	-175.1	-63.4	-68.3	0	0	0	115.4	S25 P29 Y107 R111 H155	S25-D157 WeakPolarHBondContact CB-O 3.43Å; S25-D157 VanDerWaalsContact OG-CA 3.32Å; S25-D157 WeakPolarHBondContact OG-CA 3.41Å; S25-D157 PolarHBondContact OG-O 3.3Å; P29-D157 WeakPolarHBondContact CA-O 3.35Å; Y107-D157 HydrophobicContact CD1-CB 4.36Å; Y107-D157 HydrophobicContact CE1-CB 3.67Å; Y107-D157 VanDerWaalsContact CE1-OD1 3.28Å; Y107-D157 WeakPolarHBondContact CE1-OD1 3.36Å; Y107-D157 PolarHBondContact OH-OD1 2.99Å; R111-D157 IonicContact CZ-OD2 3.51Å; R111-D157 IonicContact NH2-OD2 3.14Å; R111-D157 PolarHBondContact NH2-OD2 3.42Å; H155-D157 VanDerWaalsContact C-N 3.35Å; H155-D157 PolarHBondContact ND1-N 2.93Å; H155-D157 PolarHBondContact O-N 3Å
158	L	95.4	Very high	96.8	Very high	7 Å²	7	41 Å²	41	4%	0.037	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	149.1	-174.5	-42.8	168.8	0	0	0	115.5	S25 A26 H155 Y186	S25-L158 CarbonylContact O-C 3.3Å; S25-L158 WeakPolarHBondContact O-CA 3.4Å; A26-L158 WeakPolarHBondContact O-CA 3.11Å; A26-L158 WeakPolarHBondContact O-CB 3.43Å; A26-L158 WeakPolarHBondContact O-CD2 3.36Å; H155-L158 VanDerWaalsContact CB-O 3.3Å; H155-L158 WeakPolarHBondContact CB-O 3.21Å; H155-L158 VanDerWaalsContact CE1-CG 3.41Å; H155-L158 WeakPolarHBondContact CE1-CG 3.5Å; H155-L158 PolarHBondContact ND1-N 2.71Å; H155-L158 WeakPolarHBondContact NE2-CD1 3.5Å; L158-Y186 HydrophobicContact CB-CD2 3.99Å; L158-Y186 HydrophobicContact CB-CE2 3.85Å; L158-Y186 HydrophobicContact CD1-CD1 4.27Å; L158-Y186 HydrophobicContact CD1-CD2 4.23Å; L158-Y186 HydrophobicContact CD1-CE1 3.68Å; L158-Y186 HydrophobicContact CD1-CE2 3.57Å; L158-Y186 WeakPolarHBondContact CD1-OH 3.3Å; L158-Y186 HydrophobicContact CG-CE2 4.31Å
159	V	97.3	Very high	96.7	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.024	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	-177.3	-167	-92.7	0	0	0	0	101.5	V24 S25 A26 Q27 F178 E179 N180	V24-V159 HydrophobicContact CG1-CG1 4.06Å; S25-V159 WeakPolarHBondContact O-CA 3.37Å; S25-V159 WeakPolarHBondContact O-CB 3.2Å; S25-V159 WeakPolarHBondContact O-CG1 3.47Å; S25-V159 PolarHBondContact O-N 3.4Å; A26-V159 CarbonylContact C-O 3.48Å; A26-V159 VanDerWaalsContact C-O 3.26Å; A26-V159 HydrophobicContact CB-CB 3.63Å; A26-V159 HydrophobicContact CB-CG2 3.23Å; A26-V159 VanDerWaalsContact N-CB 3.33Å; A26-V159 VanDerWaalsContact N-N 3.13Å; Q27-V159 WeakPolarHBondContact CA-O 3.44Å; Q27-V159 WeakPolarHBondContact CB-O 3.48Å; Q27-V159 PolarHBondContact N-O 2.94Å; V159-F178 HydrophobicContact CG2-CB 3.48Å; V159-F178 VanDerWaalsContact CG2-CB 3.48Å; V159-F178 HydrophobicContact CG2-CD1 3.81Å; V159-F178 HydrophobicContact CG2-CG 4.08Å; V159-E179 CarbonylContact C-O 3.5Å; V159-E179 WeakPolarHBondContact CA-O 3.49Å; V159-E179 WeakPolarHBondContact CB-O 3.46Å; V159-E179 WeakPolarHBondContact CG1-O 3.45Å; V159-E179 WeakPolarHBondContact CG2-O 3.41Å; V159-N180 HydrophobicContact CG1-CB 4.27Å; V159-N180 VanDerWaalsContact CG1-N 3.34Å; V159-N180 VanDerWaalsContact CG1-OD1 3.31Å; V159-N180 WeakPolarHBondContact CG1-OD1 3.49Å
160	I	98.3	Very high	96.5	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	146.5	-179.2	51.6	175	0	0	0	110.9	F178 E179 V181 Y186 W189	I160-F178 CarbonylContact O-C 3.2Å; I160-F178 VanDerWaalsContact O-CA 3.25Å; I160-F178 WeakPolarHBondContact O-CA 3.36Å; I160-E179 HydrophobicContact CG1-CB 4.44Å; I160-E179 PolarHBondContact N-O 2.63Å; I160-E179 PolarHBondContact O-N 2.79Å; I160-V181 HydrophobicContact CD1-CB 4.24Å; I160-V181 HydrophobicContact CD1-CG2 4.06Å; I160-V181 HydrophobicContact CG1-CB 4.2Å; I160-V181 HydrophobicContact CG2-CB 4.14Å; I160-V181 HydrophobicContact CG2-CG1 4.03Å; I160-V181 HydrophobicContact CG2-CG2 4.27Å; I160-Y186 HydrophobicContact CG2-CD2 4.44Å; I160-W189 HydrophobicContact CB-CD2 3.78Å; I160-W189 HydrophobicContact CB-CE3 4.4Å; I160-W189 HydrophobicContact CB-CG 3.96Å; I160-W189 HydrophobicContact CB-CZ2 4.06Å; I160-W189 VanDerWaalsContact CD1-CD1 3.47Å; I160-W189 HydrophobicContact CD1-CG 4.05Å; I160-W189 HydrophobicContact CG2-CB 3.94Å; I160-W189 HydrophobicContact CG2-CD2 3.36Å; I160-W189 HydrophobicContact CG2-CE3 3.73Å; I160-W189 HydrophobicContact CG2-CG 3.45Å; I160-W189 VanDerWaalsContact CG2-CG 3.45Å; I160-W189 HydrophobicContact CG2-CZ2 4.43Å; I160-W189 HydrophobicContact CG2-CZ3 4.45Å
161	A	97.3	Very high	96.2	Very high	5 Å²	5	45.5 Å²	45.5	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	135.6	171	0	0	0	0	0	108.9	I168 F178 W189 I301	A161-I168 HydrophobicContact CB-CD1 4.04Å; A161-F178 HydrophobicContact CB-CD1 4.05Å; A161-F178 HydrophobicContact CB-CE1 3.7Å; A161-F178 HydrophobicContact CB-CZ 4.27Å; A161-W189 HydrophobicContact CB-CZ2 4.42Å; A161-W189 WeakPolarHBondContact O-CZ2 2.73Å; A161-I301 HydrophobicContact CB-CD1 4.39Å; A161-I301 WeakPolarHBondContact O-CG2 3.48Å
162	T	97.1	Very high	96.1	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.025	27%	0.271	C	S	.	.	S	Bend	trans	-105.7	-3.2	176.3	65.1	0	0	0	0	112.6	Q177 E179 I301 N303	T162-Q177 PolarHBondContact N-O 3.34Å; T162-Q177 PolarHBondContact OG1-O 2.79Å; T162-E179 HydrophobicContact CG2-CB 4.03Å; T162-E179 HydrophobicContact CG2-CG 3.68Å; T162-I301 PolarHBondContact O-N 3.15Å; T162-N303 HydrophobicContact CG2-CB 3.78Å
163	R	96.6	Very high	95.8	Very high	86 Å²	86	44.6 Å²	44.6	33%	0.325	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-138.9	152.7	178.8	-62.6	-63.1	-179.4	-88.6	-0.2	110.6	D167 I168 Q177 I301	R163-D167 HydrophobicContact CB-CB 4.14Å; R163-I168 WeakPolarHBondContact O-CD1 2.96Å; R163-Q177 HydrophobicContact CB-CB 3.9Å; R163-Q177 HydrophobicContact CB-CG 4.27Å; R163-Q177 HydrophobicContact CG-CB 3.73Å; R163-Q177 HydrophobicContact CG-CG 3.86Å; R163-I301 VanDerWaalsContact O-CD1 3.29Å; R163-I301 WeakPolarHBondContact O-CD1 3.39Å
164	H	95.9	Very high	95.5	Very high	27 Å²	27	46.7 Å²	46.7	13%	0.125	27%	0.27	C	S	.	.			trans	-62.9	162.9	170.5	-72.1	-69.3	0	0	0	111.9	D85 S166 D167 I168 G299	D85-H164 VanDerWaalsContact OD2-CA 3.27Å; D85-H164 WeakPolarHBondContact OD2-CA 3.49Å; D85-H164 VanDerWaalsContact OD2-CB 3.32Å; D85-H164 WeakPolarHBondContact OD2-CB 3.42Å; D85-H164 IonicContact OD2-CG 3.15Å; D85-H164 IonicContact OD2-ND1 3.06Å; D85-H164 PolarHBondContact OD2-ND1 3.25Å; D85-H164 VanDerWaalsContact OD2-ND1 3.08Å; H164-S166 PolarHBondContact O-N 2.84Å; H164-S166 VanDerWaalsContact O-N 3.13Å; H164-D167 CarbonylContact O-C 3.12Å; H164-D167 PolarHBondContact O-N 3.07Å; H164-I168 PolarHBondContact O-N 3.21Å; H164-I168 VanDerWaalsContact O-N 3.07Å; H164-G299 PolarHBondContact CD2-O 2.82Å; H164-G299 VanDerWaalsContact CD2-O 3.26Å
165	Y	94.7	Very high	95.3	Very high	72 Å²	72	47 Å²	47	28%	0.282	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-55.7	-34.7	-176.5	-171.5	-97.5	0	0	0	112.9	D85 R92 F93 D167 I168	D85-Y165 VanDerWaalsContact OD1-CB 3.27Å; D85-Y165 WeakPolarHBondContact OD1-CB 3.4Å; D85-Y165 PolarHBondContact OD2-N 3.32Å; R92-Y165 WeakPolarHBondContact O-CE2 3.12Å; F93-Y165 AromaticContact CD1-CD2 3.53Å; F93-Y165 HydrophobicContact CD1-CD2 3.53Å; F93-Y165 HydrophobicContact CD1-CE2 4.12Å; F93-Y165 AromaticContact CE1-CD2 3.71Å; F93-Y165 HydrophobicContact CE1-CD2 3.71Å; F93-Y165 HydrophobicContact CE1-CG 4.45Å; F93-Y165 HydrophobicContact CG-CD2 4.14Å; F93-Y165 HydrophobicContact CZ-CD2 4.44Å; Y165-D167 PolarHBondContact O-N 2.89Å; Y165-D167 VanDerWaalsContact O-N 3.16Å; Y165-I168 HydrophobicContact CD2-CG2 4.03Å; Y165-I168 HydrophobicContact CE2-CG2 4.21Å; Y165-I168 VanDerWaalsContact O-CG2 3.25Å; Y165-I168 WeakPolarHBondContact O-CG2 3.21Å; Y165-I168 PolarHBondContact O-N 3.22Å
166	S	94.4	Very high	95.3	Very high	93 Å²	93	48.6 Å²	48.6	65%	0.65	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-53.6	-34.2	175.9	51.1	0	0	0	0	113.8	H164	H164-S166 PolarHBondContact O-N 2.84Å; H164-S166 VanDerWaalsContact O-N 3.13Å
167	D	95.6	Very high	95.5	Very high	91 Å²	91	47.3 Å²	47.3	49%	0.487	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-117.6	12	-173.2	-58.7	-70.3	0	0	0	111.8	R163 H164 Y165 F169 G170 Q177	R163-D167 HydrophobicContact CB-CB 4.14Å; H164-D167 CarbonylContact O-C 3.12Å; H164-D167 PolarHBondContact O-N 3.07Å; Y165-D167 PolarHBondContact O-N 2.89Å; Y165-D167 VanDerWaalsContact O-N 3.16Å; D167-F169 PolarHBondContact O-N 3.48Å; D167-G170 PolarHBondContact O-N 2.8Å; D167-Q177 WeakPolarHBondContact O-CG 3.36Å
168	I	95.8	Very high	95.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.2	-172.6	-157	67.7	0	0	0	113	L38 A161 R163 H164 Y165 G170 T176 Q177 F178	L38-I168 HydrophobicContact CD1-CG1 4.4Å; L38-I168 HydrophobicContact CD1-CG2 4.46Å; A161-I168 HydrophobicContact CB-CD1 4.04Å; R163-I168 WeakPolarHBondContact O-CD1 2.96Å; H164-I168 PolarHBondContact O-N 3.21Å; H164-I168 VanDerWaalsContact O-N 3.07Å; Y165-I168 HydrophobicContact CD2-CG2 4.03Å; Y165-I168 HydrophobicContact CE2-CG2 4.21Å; Y165-I168 VanDerWaalsContact O-CG2 3.25Å; Y165-I168 WeakPolarHBondContact O-CG2 3.21Å; Y165-I168 PolarHBondContact O-N 3.22Å; I168-G170 VanDerWaalsContact C-N 3.32Å; I168-T176 CarbonylContact O-C 3.51Å; I168-T176 WeakPolarHBondContact O-CA 3.29Å; I168-Q177 HydrophobicContact CD1-CB 4.44Å; I168-Q177 PolarHBondContact O-N 3.45Å; I168-F178 HydrophobicContact CD1-CD2 4.19Å; I168-F178 HydrophobicContact CD1-CE1 4.48Å; I168-F178 HydrophobicContact CD1-CE2 3.55Å; I168-F178 HydrophobicContact CD1-CZ 3.73Å; I168-F178 HydrophobicContact CG1-CD2 4.34Å; I168-F178 HydrophobicContact CG1-CE2 3.48Å; I168-F178 VanDerWaalsContact CG1-CE2 3.48Å; I168-F178 HydrophobicContact CG1-CZ 3.93Å
169	F	96.4	Very high	95.8	Very high	34 Å²	34	50 Å²	50	15%	0.149	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	4.2	176.8	-66	-77.8	0	0	0	113.6	L38 R39 D167 G173 N174 T175 T176	L38-F169 HydrophobicContact CB-CE1 3.98Å; L38-F169 HydrophobicContact CB-CZ 3.72Å; L38-F169 HydrophobicContact CD1-CE1 4.2Å; L38-F169 HydrophobicContact CD1-CZ 4.41Å; R39-F169 HydrophobicContact CG-CE1 3.99Å; R39-F169 HydrophobicContact CG-CZ 3.8Å; D167-F169 PolarHBondContact O-N 3.48Å; F169-G173 CarbonylContact O-C 3.52Å; F169-G173 VanDerWaalsContact O-C 3.32Å; F169-G173 WeakPolarHBondContact O-CA 3.14Å; F169-G173 PolarHBondContact O-N 3.02Å; F169-N174 PolarHBondContact O-N 3.35Å; F169-T175 CarbonylContact C-O 3.59Å; F169-T175 PolarHBondContact O-N 3.36Å; F169-T176 HydrophobicContact CD1-CG2 4.44Å
170	G	94	Very high	95.8	Very high	20 Å²	20	52.6 Å²	52.6	21%	0.206	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	-179.9	179.1	0	0	0	0	0	114.3	D167 I168 D172 G173 T175	D167-G170 PolarHBondContact O-N 2.8Å; I168-G170 VanDerWaalsContact C-N 3.32Å; G170-D172 VanDerWaalsContact C-N 3.27Å; G170-D172 PolarHBondContact O-N 3.02Å; G170-G173 PolarHBondContact O-N 3.33Å; G170-G173 VanDerWaalsContact O-N 3.13Å; G170-T175 PolarHBondContact N-O 2.99Å
171	P	93.9	Very high	95.8	Very high	143 Å²	143	52.7 Å²	52.7	93%	0.929	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-24.7	-175.3	-22.3	34	0	0	0	114.7	G173	P171-G173 VanDerWaalsContact C-N 3.33Å
172	D	95.1	Very high	95.9	Very high	98 Å²	98	53.4 Å²	53.4	52%	0.524	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-6.5	177.4	66	-10.7	0	0	0	112.8	G170 N174 T175	G170-D172 VanDerWaalsContact C-N 3.27Å; G170-D172 PolarHBondContact O-N 3.02Å; D172-N174 PolarHBondContact O-N 3.13Å; D172-N174 PolarHBondContact OD1-N 2.71Å; D172-T175 WeakPolarHBondContact OD1-CB 3.13Å; D172-T175 PolarHBondContact OD1-N 2.9Å; D172-T175 WeakPolarHBondContact OD2-CB 3.44Å; D172-T175 PolarHBondContact OD2-N 2.94Å; D172-T175 PolarHBondContact OD2-OG1 2.91Å
173	G	93.3	Very high	95.9	Very high	30 Å²	30	53.3 Å²	53.3	31%	0.309	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	13.3	-177.1	0	0	0	0	0	114.1	R39 F169 G170 P171	R39-G173 PolarHBondContact NH2-O 2.86Å; F169-G173 CarbonylContact O-C 3.52Å; F169-G173 VanDerWaalsContact O-C 3.32Å; F169-G173 WeakPolarHBondContact O-CA 3.14Å; F169-G173 PolarHBondContact O-N 3.02Å; G170-G173 PolarHBondContact O-N 3.33Å; G170-G173 VanDerWaalsContact O-N 3.13Å; P171-G173 VanDerWaalsContact C-N 3.33Å
174	N	92.8	Very high	96.1	Very high	92 Å²	92	49.2 Å²	49.2	49%	0.492	28%	0.283	S	S	.	.	S	Bend	trans	-139.4	-21.9	-177.4	-157.9	51.4	0	0	0	114.2	P35 F169 D172 T176	P35-N174 WeakPolarHBondContact CG-O 3.26Å; F169-N174 PolarHBondContact O-N 3.35Å; D172-N174 PolarHBondContact O-N 3.13Å; D172-N174 PolarHBondContact OD1-N 2.71Å; N174-T176 PolarHBondContact O-N 3.49Å
175	T	94.7	Very high	96.2	Very high	78 Å²	78	48.1 Å²	48.1	48%	0.479	28%	0.278	S	S	.	.	S	Bend	trans	-89.3	108.4	177.8	-62.8	0	0	0	0	110.3	F169 G170 D172 Q177	F169-T175 CarbonylContact C-O 3.59Å; F169-T175 PolarHBondContact O-N 3.36Å; G170-T175 PolarHBondContact N-O 2.99Å; D172-T175 WeakPolarHBondContact OD1-CB 3.13Å; D172-T175 PolarHBondContact OD1-N 2.9Å; D172-T175 WeakPolarHBondContact OD2-CB 3.44Å; D172-T175 PolarHBondContact OD2-N 2.94Å; D172-T175 PolarHBondContact OD2-OG1 2.91Å; T175-Q177 PolarHBondContact O-NE2 3.48Å
176	T	96.6	Very high	96.4	Very high	36 Å²	36	44.8 Å²	44.8	22%	0.221	27%	0.265	C	S	.	.			trans	-70.2	133.5	-177.1	56.7	0	0	0	0	112.3	V33 P35 L38 I168 F169 N174 F178	V33-T176 WeakPolarHBondContact O-CB 3.49Å; V33-T176 WeakPolarHBondContact O-CG2 3.03Å; V33-T176 PolarHBondContact O-OG1 2.77Å; P35-T176 HydrophobicContact CG-CG2 3.96Å; L38-T176 HydrophobicContact CD1-CG2 3.68Å; I168-T176 CarbonylContact O-C 3.51Å; I168-T176 WeakPolarHBondContact O-CA 3.29Å; F169-T176 HydrophobicContact CD1-CG2 4.44Å; N174-T176 PolarHBondContact O-N 3.49Å; T176-F178 PolarHBondContact O-N 3.28Å; T176-F178 VanDerWaalsContact O-N 3.11Å
177	Q	97.3	Very high	96.6	Very high	42 Å²	42	40.6 Å²	40.6	20%	0.196	24%	0.235	C	C	.	.			trans	-89.7	73.3	-170.7	-60.1	-59.9	-63	0	0	112.6	T162 R163 D167 I168 T175	T162-Q177 PolarHBondContact N-O 3.34Å; T162-Q177 PolarHBondContact OG1-O 2.79Å; R163-Q177 HydrophobicContact CB-CB 3.9Å; R163-Q177 HydrophobicContact CB-CG 4.27Å; R163-Q177 HydrophobicContact CG-CB 3.73Å; R163-Q177 HydrophobicContact CG-CG 3.86Å; D167-Q177 WeakPolarHBondContact O-CG 3.36Å; I168-Q177 HydrophobicContact CD1-CB 4.44Å; I168-Q177 PolarHBondContact O-N 3.45Å; T175-Q177 PolarHBondContact O-NE2 3.48Å
178	F	97.3	Very high	96.8	Very high	30 Å²	30	36.2 Å²	36.2	13%	0.132	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	137.2	-173.8	-78.8	-83.2	0	0	0	110.9	A26 F28 V33 L38 V159 I160 A161 I168 T176	A26-F178 HydrophobicContact CB-CD1 3.91Å; A26-F178 HydrophobicContact CB-CE1 4.34Å; F28-F178 HydrophobicContact CD2-CE1 4.37Å; F28-F178 HydrophobicContact CD2-CZ 4.46Å; V33-F178 HydrophobicContact CB-CD1 4.39Å; V33-F178 HydrophobicContact CB-CD2 3.91Å; V33-F178 HydrophobicContact CB-CE1 4.28Å; V33-F178 HydrophobicContact CB-CE2 3.78Å; V33-F178 HydrophobicContact CB-CG 4.22Å; V33-F178 HydrophobicContact CB-CZ 3.97Å; V33-F178 HydrophobicContact CG1-CD1 4.17Å; V33-F178 HydrophobicContact CG1-CD2 4.39Å; V33-F178 HydrophobicContact CG1-CE1 3.72Å; V33-F178 HydrophobicContact CG1-CE2 3.97Å; V33-F178 HydrophobicContact CG1-CG 4.48Å; V33-F178 HydrophobicContact CG1-CZ 3.61Å; V33-F178 HydrophobicContact CG2-CD2 4.32Å; V33-F178 HydrophobicContact CG2-CG 4.26Å; L38-F178 HydrophobicContact CD1-CE2 3.92Å; V159-F178 HydrophobicContact CG2-CB 3.48Å; V159-F178 VanDerWaalsContact CG2-CB 3.48Å; V159-F178 HydrophobicContact CG2-CD1 3.81Å; V159-F178 HydrophobicContact CG2-CG 4.08Å; I160-F178 CarbonylContact O-C 3.2Å; I160-F178 VanDerWaalsContact O-CA 3.25Å; I160-F178 WeakPolarHBondContact O-CA 3.36Å; A161-F178 HydrophobicContact CB-CD1 4.05Å; A161-F178 HydrophobicContact CB-CE1 3.7Å; A161-F178 HydrophobicContact CB-CZ 4.27Å; I168-F178 HydrophobicContact CD1-CD2 4.19Å; I168-F178 HydrophobicContact CD1-CE1 4.48Å; I168-F178 HydrophobicContact CD1-CE2 3.55Å; I168-F178 HydrophobicContact CD1-CZ 3.73Å; I168-F178 HydrophobicContact CG1-CD2 4.34Å; I168-F178 HydrophobicContact CG1-CE2 3.48Å; I168-F178 VanDerWaalsContact CG1-CE2 3.48Å; I168-F178 HydrophobicContact CG1-CZ 3.93Å; T176-F178 PolarHBondContact O-N 3.28Å; T176-F178 VanDerWaalsContact O-N 3.11Å
179	E	97.6	Very high	96.9	Very high	62 Å²	62	36.4 Å²	36.4	29%	0.29	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	144.7	-178.6	-74.2	-179.3	-165.1	0	0	114.7	V159 I160 T162 N303 S304	V159-E179 CarbonylContact C-O 3.5Å; V159-E179 WeakPolarHBondContact CA-O 3.49Å; V159-E179 WeakPolarHBondContact CB-O 3.46Å; V159-E179 WeakPolarHBondContact CG1-O 3.45Å; V159-E179 WeakPolarHBondContact CG2-O 3.41Å; I160-E179 HydrophobicContact CG1-CB 4.44Å; I160-E179 PolarHBondContact N-O 2.63Å; I160-E179 PolarHBondContact O-N 2.79Å; T162-E179 HydrophobicContact CG2-CB 4.03Å; T162-E179 HydrophobicContact CG2-CG 3.68Å; E179-N303 WeakPolarHBondContact OE2-CB 3.33Å; E179-S304 PolarHBondContact OE2-N 3.38Å; E179-S304 PolarHBondContact OE2-OG 3.39Å; E179-S304 VanDerWaalsContact OE2-OG 3.08Å
180	N	97.8	Very high	97	Very high	59 Å²	59	34.8 Å²	34.8	32%	0.316	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	141	172.9	-86.5	-30.6	0	0	0	110.5	V24 V154 V159 S304	V24-N180 VanDerWaalsContact CG1-CG 3.44Å; V24-N180 WeakPolarHBondContact CG1-ND2 3.36Å; V24-N180 WeakPolarHBondContact CG1-OD1 3.43Å; V154-N180 HydrophobicContact CG1-CB 4.05Å; V159-N180 HydrophobicContact CG1-CB 4.27Å; V159-N180 VanDerWaalsContact CG1-N 3.34Å; V159-N180 VanDerWaalsContact CG1-OD1 3.31Å; V159-N180 WeakPolarHBondContact CG1-OD1 3.49Å; N180-S304 WeakPolarHBondContact O-CB 3.36Å; N180-S304 PolarHBondContact O-OG 2.63Å
181	V	97.8	Very high	97.3	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.024	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153	178.2	73.9	0	0	0	0	109.1	V154 H155 I160 N185 Y186	V154-V181 CarbonylContact C-O 3.58Å; V154-V181 WeakPolarHBondContact CA-O 3.46Å; H155-V181 HydrophobicContact CB-CG1 4.38Å; H155-V181 WeakPolarHBondContact CB-O 3.43Å; H155-V181 PolarHBondContact N-O 3.3Å; I160-V181 HydrophobicContact CD1-CB 4.24Å; I160-V181 HydrophobicContact CD1-CG2 4.06Å; I160-V181 HydrophobicContact CG1-CB 4.2Å; I160-V181 HydrophobicContact CG2-CB 4.14Å; I160-V181 HydrophobicContact CG2-CG1 4.03Å; I160-V181 HydrophobicContact CG2-CG2 4.27Å; V181-N185 VanDerWaalsContact CG2-C 3.47Å; V181-N185 HydrophobicContact CG2-CB 3.41Å; V181-N185 VanDerWaalsContact CG2-CB 3.41Å; V181-Y186 HydrophobicContact CG1-CD2 4.26Å; V181-Y186 HydrophobicContact CG1-CG 4.5Å
182	T	98.8	Very high	97.5	Very high	21 Å²	21	27.4 Å²	27.4	13%	0.129	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	159.9	172.4	67.6	0	0	0	0	110.9	K151 T153 Y184 N185 Y186	K151-T182 VanDerWaalsContact O-CB 3.23Å; K151-T182 WeakPolarHBondContact O-CB 3.1Å; K151-T182 VanDerWaalsContact O-CG2 3.23Å; K151-T182 WeakPolarHBondContact O-CG2 3.36Å; K151-T182 PolarHBondContact O-OG1 2.86Å; T153-T182 CarbonylContact O-C 3.54Å; T153-T182 WeakPolarHBondContact O-CA 3.31Å; T153-T182 VanDerWaalsContact O-CB 3.28Å; T153-T182 WeakPolarHBondContact O-CB 3.33Å; T182-Y184 PolarHBondContact O-N 3.39Å; T182-N185 PolarHBondContact O-N 3.31Å; T182-N185 VanDerWaalsContact O-N 3.11Å; T182-N185 WeakPolarHBondContact OG1-CB 3.5Å; T182-N185 VanDerWaalsContact OG1-CG 3.28Å; T182-N185 PolarHBondContact OG1-N 2.56Å; T182-N185 PolarHBondContact OG1-ND2 3.41Å; T182-Y186 PolarHBondContact O-N 2.65Å
183	V	98.8	Very high	97.7	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-52.1	-46.4	179	172.1	0	0	0	0	110.6	A150 T153 H155 F187 L230 D233	A150-V183 HydrophobicContact CB-CB 4.08Å; A150-V183 HydrophobicContact CB-CG1 4Å; A150-V183 PolarHBondContact O-N 3.14Å; T153-V183 PolarHBondContact O-N 3.24Å; H155-V183 HydrophobicContact CB-CG2 4.15Å; V183-F187 PolarHBondContact O-N 2.81Å; V183-L230 HydrophobicContact CG1-CD1 4.24Å; V183-D233 HydrophobicContact CG1-CB 3.65Å
184	Y	98.9	Very high	97.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-73.5	-36.8	179	-161.7	-85.3	0	0	0	112.8	L147 A150 K151 T182 Y186 F187 V188 L230 W285 P394 P397 V400	L147-Y184 HydrophobicContact CD2-CD2 4.16Å; L147-Y184 HydrophobicContact CD2-CE2 3.88Å; A150-Y184 PolarHBondContact O-N 3.04Å; K151-Y184 HydrophobicContact CD-CD1 4.16Å; T182-Y184 PolarHBondContact O-N 3.39Å; Y184-Y186 VanDerWaalsContact C-N 3.28Å; Y184-Y186 PolarHBondContact O-N 3.08Å; Y184-F187 HydrophobicContact CE2-CD1 4.36Å; Y184-F187 VanDerWaalsContact O-CB 3.3Å; Y184-F187 WeakPolarHBondContact O-CB 2.85Å; Y184-F187 PolarHBondContact O-N 2.99Å; Y184-V188 HydrophobicContact CD1-CG2 3.99Å; Y184-V188 HydrophobicContact CE1-CG2 3.82Å; Y184-V188 WeakPolarHBondContact O-CG2 3.08Å; Y184-V188 PolarHBondContact O-N 2.89Å; Y184-L230 HydrophobicContact CD2-CD1 4.49Å; Y184-W285 AromaticContact CD1-CH2 3.95Å; Y184-W285 HydrophobicContact CD1-CH2 3.95Å; Y184-W285 AromaticContact CD1-CZ3 3.62Å; Y184-W285 HydrophobicContact CD1-CZ3 3.62Å; Y184-W285 AromaticContact CD2-CH2 3.92Å; Y184-W285 HydrophobicContact CD2-CH2 3.92Å; Y184-W285 HydrophobicContact CD2-CZ3 4.32Å; Y184-W285 HydrophobicContact CE1-CE3 4.35Å; Y184-W285 AromaticContact CE1-CH2 3.99Å; Y184-W285 HydrophobicContact CE1-CH2 3.99Å; Y184-W285 AromaticContact CE1-CZ3 3.38Å; Y184-W285 HydrophobicContact CE1-CZ3 3.38Å; Y184-W285 AromaticContact CE2-CH2 3.94Å; Y184-W285 HydrophobicContact CE2-CH2 3.94Å; Y184-W285 HydrophobicContact CE2-CZ3 4.11Å; Y184-W285 AromaticContact CG-CH2 3.93Å; Y184-W285 HydrophobicContact CG-CH2 3.93Å; Y184-W285 HydrophobicContact CG-CZ3 4.1Å; Y184-W285 AromaticContact CZ-CH2 3.99Å; Y184-W285 AromaticContact CZ-CZ3 3.66Å; Y184-P394 WeakPolarHBondContact CE1-O 3.42Å; Y184-P394 VanDerWaalsContact CZ-O 3.32Å; Y184-P394 PolarHBondContact OH-O 3.39Å; Y184-P397 VanDerWaalsContact OH-CA 3.27Å; Y184-P397 WeakPolarHBondContact OH-CA 3.31Å; Y184-V400 HydrophobicContact CE2-CG2 4Å
185	N	98.9	Very high	98.2	Very high	4 Å²	4	18 Å²	18	2%	0.021	10%	0.096	C	C	.	.	H	α-helix	trans	-70.5	-25.1	177.9	-73	-10.7	0	0	0	112.7	K151 V181 T182 V188 W189 V288 E306	K151-N185 WeakPolarHBondContact CD-OD1 3.5Å; K151-N185 PolarHBondContact NZ-OD1 3.11Å; V181-N185 VanDerWaalsContact CG2-C 3.47Å; V181-N185 HydrophobicContact CG2-CB 3.41Å; V181-N185 VanDerWaalsContact CG2-CB 3.41Å; T182-N185 PolarHBondContact O-N 3.31Å; T182-N185 VanDerWaalsContact O-N 3.11Å; T182-N185 WeakPolarHBondContact OG1-CB 3.5Å; T182-N185 VanDerWaalsContact OG1-CG 3.28Å; T182-N185 PolarHBondContact OG1-N 2.56Å; T182-N185 PolarHBondContact OG1-ND2 3.41Å; N185-V188 PolarHBondContact O-N 2.79Å; N185-W189 VanDerWaalsContact O-CB 3.28Å; N185-W189 WeakPolarHBondContact O-CB 3.22Å; N185-W189 PolarHBondContact O-N 2.92Å; N185-V288 HydrophobicContact CB-CG2 4.41Å; N185-E306 PolarHBondContact ND2-OE1 2.82Å
186	Y	98.8	Very high	98.3	Very high	3 Å²	3	15 Å²	15	1%	0.012	8%	0.078	C	C	.	.	H	α-helix	trans	-64.3	-43.9	169	174.9	-97.6	0	0	0	111.1	Q27 L158 I160 V181 T182 Y184 V188 W189 S190 Q229	Q27-Y186 HydrophobicContact CB-CE2 4.33Å; Q27-Y186 PolarHBondContact NE2-OH 3.2Å; Q27-Y186 PolarHBondContact OE1-OH 3.22Å; L158-Y186 HydrophobicContact CB-CD2 3.99Å; L158-Y186 HydrophobicContact CB-CE2 3.85Å; L158-Y186 HydrophobicContact CD1-CD1 4.27Å; L158-Y186 HydrophobicContact CD1-CD2 4.23Å; L158-Y186 HydrophobicContact CD1-CE1 3.68Å; L158-Y186 HydrophobicContact CD1-CE2 3.57Å; L158-Y186 WeakPolarHBondContact CD1-OH 3.3Å; L158-Y186 HydrophobicContact CG-CE2 4.31Å; I160-Y186 HydrophobicContact CG2-CD2 4.44Å; V181-Y186 HydrophobicContact CG1-CD2 4.26Å; V181-Y186 HydrophobicContact CG1-CG 4.5Å; T182-Y186 PolarHBondContact O-N 2.65Å; Y184-Y186 VanDerWaalsContact C-N 3.28Å; Y184-Y186 PolarHBondContact O-N 3.08Å; Y186-V188 VanDerWaalsContact C-N 3.29Å; Y186-V188 PolarHBondContact O-N 2.86Å; Y186-W189 PolarHBondContact O-N 3.28Å; Y186-S190 WeakPolarHBondContact O-CB 3.31Å; Y186-S190 PolarHBondContact O-N 2.9Å; Y186-S190 PolarHBondContact O-OG 3.01Å; Y186-Q229 HydrophobicContact CE1-CG 4.05Å
187	F	98.9	Very high	98.4	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.018	9%	0.086	C	C	.	.	H	α-helix	trans	-58.1	-41.8	172.8	176.3	-99.4	0	0	0	111.3	V183 Y184 S190 H226 L230 P394 F399 V400	V183-F187 PolarHBondContact O-N 2.81Å; Y184-F187 HydrophobicContact CE2-CD1 4.36Å; Y184-F187 VanDerWaalsContact O-CB 3.3Å; Y184-F187 WeakPolarHBondContact O-CB 2.85Å; Y184-F187 PolarHBondContact O-N 2.99Å; F187-S190 PolarHBondContact O-OG 3.38Å; F187-S190 VanDerWaalsContact O-OG 3.07Å; F187-H226 AromaticContact CD2-CD2 3.38Å; F187-H226 WeakPolarHBondContact CD2-CD2 3.33Å; F187-H226 AromaticContact CD2-CE1 3.39Å; F187-H226 WeakPolarHBondContact CD2-CE1 3.46Å; F187-H226 AromaticContact CD2-CG 3.84Å; F187-H226 AromaticContact CD2-ND1 3.85Å; F187-H226 AromaticContact CD2-NE2 3.08Å; F187-H226 WeakPolarHBondContact CD2-NE2 3.18Å; F187-H226 AromaticContact CE1-CE1 3.82Å; F187-H226 HydrophobicContact CE2-CB 4.44Å; F187-H226 AromaticContact CE2-CD2 3.54Å; F187-H226 AromaticContact CE2-CE1 3.11Å; F187-H226 WeakPolarHBondContact CE2-CE1 3.47Å; F187-H226 AromaticContact CE2-CG 3.47Å; F187-H226 VanDerWaalsContact CE2-CG 3.47Å; F187-H226 AromaticContact CE2-ND1 3.21Å; F187-H226 WeakPolarHBondContact CE2-ND1 3.46Å; F187-H226 AromaticContact CE2-NE2 3.32Å; F187-H226 VanDerWaalsContact CE2-NE2 3.32Å; F187-H226 WeakPolarHBondContact CE2-NE2 3.42Å; F187-H226 AromaticContact CG-CE1 3.87Å; F187-H226 AromaticContact CG-NE2 3.56Å; F187-H226 AromaticContact CZ-CE1 3.34Å; F187-H226 WeakPolarHBondContact CZ-CE1 3.43Å; F187-H226 AromaticContact CZ-ND1 3.56Å; F187-H226 AromaticContact CZ-NE2 3.95Å; F187-H226 PolarHBondContact O-CE1 2.67Å; F187-H226 PolarHBondContact O-NE2 3.4Å; F187-L230 HydrophobicContact CB-CD1 4.21Å; F187-L230 HydrophobicContact CD1-CD2 4.19Å; F187-L230 HydrophobicContact CD2-CB 3.63Å; F187-L230 HydrophobicContact CD2-CD1 4.48Å; F187-L230 HydrophobicContact CD2-CD2 3.8Å; F187-L230 HydrophobicContact CD2-CG 4.16Å; F187-L230 HydrophobicContact CE1-CD2 4.19Å; F187-L230 HydrophobicContact CE2-CB 3.98Å; F187-L230 HydrophobicContact CE2-CD2 3.79Å; F187-L230 HydrophobicContact CE2-CG 4.49Å; F187-L230 HydrophobicContact CG-CB 4.34Å; F187-L230 HydrophobicContact CG-CD1 4.37Å; F187-L230 HydrophobicContact CG-CD2 3.99Å; F187-L230 HydrophobicContact CG-CG 4.46Å; F187-L230 HydrophobicContact CZ-CD2 3.99Å; F187-P394 HydrophobicContact CD1-CB 3.96Å; F187-P394 HydrophobicContact CE1-CB 3.76Å; F187-F399 AromaticContact CE1-CD1 3.56Å; F187-F399 HydrophobicContact CE1-CD1 3.56Å; F187-F399 AromaticContact CE1-CE1 3.89Å; F187-F399 HydrophobicContact CE1-CE1 3.89Å; F187-F399 AromaticContact CZ-CD1 3.51Å; F187-F399 HydrophobicContact CZ-CD1 3.51Å; F187-F399 AromaticContact CZ-CE1 3.54Å; F187-F399 HydrophobicContact CZ-CE1 3.54Å; F187-V400 HydrophobicContact CE1-CG2 3.89Å; F187-V400 HydrophobicContact CZ-CG2 4.07Å
188	V	98.9	Very high	98.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65.4	-48.9	173.1	-178.7	0	0	0	0	112.3	Y184 N185 Y186 S190 H191 Y192 V288 P394 N395	Y184-V188 HydrophobicContact CD1-CG2 3.99Å; Y184-V188 HydrophobicContact CE1-CG2 3.82Å; Y184-V188 WeakPolarHBondContact O-CG2 3.08Å; Y184-V188 PolarHBondContact O-N 2.89Å; N185-V188 PolarHBondContact O-N 2.79Å; Y186-V188 VanDerWaalsContact C-N 3.29Å; Y186-V188 PolarHBondContact O-N 2.86Å; V188-S190 PolarHBondContact O-N 3.3Å; V188-H191 PolarHBondContact O-N 3.45Å; V188-Y192 PolarHBondContact O-N 3.14Å; V188-V288 HydrophobicContact CB-CG2 3.89Å; V188-V288 HydrophobicContact CG1-CG2 3.54Å; V188-P394 HydrophobicContact CG2-CB 4.15Å; V188-N395 VanDerWaalsContact CG1-ND2 3.29Å; V188-N395 WeakPolarHBondContact CG1-ND2 2.94Å
189	W	98.9	Very high	98.5	Very high	4 Å²	4	16.2 Å²	16.2	2%	0.015	8%	0.08	C	C	.	.	H	α-helix	trans	-65	-40.3	-173.6	-177.1	97	0	0	0	112.6	Q27 I160 A161 N185 Y186 H191 Y192 Y193 I301 C302 P441	Q27-W189 HydrophobicContact CB-CH2 4.46Å; Q27-W189 HydrophobicContact CB-CZ3 4.16Å; Q27-W189 HydrophobicContact CG-CH2 4.19Å; Q27-W189 HydrophobicContact CG-CZ3 3.72Å; Q27-W189 VanDerWaalsContact OE1-CE3 3.29Å; I160-W189 HydrophobicContact CB-CD2 3.78Å; I160-W189 HydrophobicContact CB-CE3 4.4Å; I160-W189 HydrophobicContact CB-CG 3.96Å; I160-W189 HydrophobicContact CB-CZ2 4.06Å; I160-W189 VanDerWaalsContact CD1-CD1 3.47Å; I160-W189 HydrophobicContact CD1-CG 4.05Å; I160-W189 HydrophobicContact CG2-CB 3.94Å; I160-W189 HydrophobicContact CG2-CD2 3.36Å; I160-W189 HydrophobicContact CG2-CE3 3.73Å; I160-W189 HydrophobicContact CG2-CG 3.45Å; I160-W189 VanDerWaalsContact CG2-CG 3.45Å; I160-W189 HydrophobicContact CG2-CZ2 4.43Å; I160-W189 HydrophobicContact CG2-CZ3 4.45Å; A161-W189 HydrophobicContact CB-CZ2 4.42Å; A161-W189 WeakPolarHBondContact O-CZ2 2.73Å; N185-W189 VanDerWaalsContact O-CB 3.28Å; N185-W189 WeakPolarHBondContact O-CB 3.22Å; N185-W189 PolarHBondContact O-N 2.92Å; Y186-W189 PolarHBondContact O-N 3.28Å; W189-H191 VanDerWaalsContact C-N 3.31Å; W189-H191 PolarHBondContact O-N 2.86Å; W189-Y192 WeakPolarHBondContact O-CB 3.36Å; W189-Y192 PolarHBondContact O-N 2.96Å; W189-Y193 HydrophobicContact CH2-CD1 4.14Å; W189-Y193 AromaticContact CH2-CD2 3.72Å; W189-Y193 HydrophobicContact CH2-CD2 3.72Å; W189-Y193 HydrophobicContact CH2-CE2 4.24Å; W189-Y193 AromaticContact CH2-CG 3.66Å; W189-Y193 HydrophobicContact CH2-CG 3.66Å; W189-Y193 AromaticContact CZ2-CD2 3.83Å; W189-Y193 HydrophobicContact CZ2-CD2 3.83Å; W189-Y193 HydrophobicContact CZ2-CE2 4.44Å; W189-Y193 HydrophobicContact CZ2-CG 4.13Å; W189-Y193 HydrophobicContact CZ3-CD1 4.28Å; W189-Y193 HydrophobicContact CZ3-CD2 4.44Å; W189-Y193 AromaticContact CZ3-CG 3.94Å; W189-Y193 HydrophobicContact CZ3-CG 3.94Å; W189-Y193 WeakPolarHBondContact O-CB 3.1Å; W189-Y193 PolarHBondContact O-N 2.72Å; W189-I301 HydrophobicContact CZ2-CG2 3.77Å; W189-C302 PolarHBondContact NE1-O 2.78Å; W189-P441 HydrophobicContact CE3-CG 4.48Å; W189-P441 HydrophobicContact CZ3-CB 4.39Å; W189-P441 HydrophobicContact CZ3-CG 3.82Å
190	S	98.8	Very high	98.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.7	-39.6	179	49.7	0	0	0	0	112	Y186 F187 V188 S194 H226 P441	Y186-S190 WeakPolarHBondContact O-CB 3.31Å; Y186-S190 PolarHBondContact O-N 2.9Å; Y186-S190 PolarHBondContact O-OG 3.01Å; F187-S190 PolarHBondContact O-OG 3.38Å; F187-S190 VanDerWaalsContact O-OG 3.07Å; V188-S190 PolarHBondContact O-N 3.3Å; S190-S194 PolarHBondContact O-N 3.2Å; S190-S194 VanDerWaalsContact O-N 3.14Å; S190-H226 PolarHBondContact OG-NE2 3.11Å; S190-P441 WeakPolarHBondContact O-CD 3.31Å
191	H	98.9	Very high	98.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.8	-52.5	171.9	-173.5	-87.2	0	0	0	111.4	V188 W189 Y193 S194 V195 H214 W222 H223 T390 P394 F399	V188-H191 PolarHBondContact O-N 3.45Å; W189-H191 VanDerWaalsContact C-N 3.31Å; W189-H191 PolarHBondContact O-N 2.86Å; H191-Y193 VanDerWaalsContact C-N 3.28Å; H191-Y193 PolarHBondContact O-N 3.32Å; H191-S194 PolarHBondContact O-N 2.81Å; H191-S194 PolarHBondContact O-OG 2.91Å; H191-V195 PolarHBondContact O-N 3.36Å; H191-H214 AromaticContact CE1-CE1 3.6Å; H191-H214 AromaticContact CE1-NE2 3.93Å; H191-H214 AromaticContact NE2-CE1 3.12Å; H191-H214 PolarHBondContact NE2-CE1 3.43Å; H191-H214 AromaticContact NE2-NE2 3.28Å; H191-H214 PolarHBondContact NE2-NE2 3.27Å; H191-W222 VanDerWaalsContact CA-CH2 3.49Å; H191-W222 HydrophobicContact CB-CH2 3.88Å; H191-W222 HydrophobicContact CB-CZ3 4.44Å; H191-W222 AromaticContact CD2-CH2 3.95Å; H191-W222 AromaticContact CD2-CZ3 3.71Å; H191-H223 AromaticContact CD2-NE2 3.58Å; H191-H223 AromaticContact NE2-NE2 3.49Å; H191-H223 PolarHBondContact NE2-NE2 3.08Å; H191-T390 PolarHBondContact CE1-O 2.89Å; H191-T390 PolarHBondContact ND1-O 3.47Å; H191-P394 HydrophobicContact CB-CG 3.6Å; H191-F399 AromaticContact CD2-CZ 3.66Å; H191-F399 AromaticContact NE2-CE2 3.84Å; H191-F399 AromaticContact NE2-CZ 3.8Å
192	Y	98.8	Very high	98	Very high	7 Å²	7	16.4 Å²	16.4	3%	0.027	10%	0.1	C	C	.	.	H	α-helix	trans	-50.2	-48.2	175.3	162.2	-93.8	0	0	0	112	V188 W189 S194 V195 S196 C289 V292 Y295 I301 C302 H391	V188-Y192 PolarHBondContact O-N 3.14Å; W189-Y192 WeakPolarHBondContact O-CB 3.36Å; W189-Y192 PolarHBondContact O-N 2.96Å; Y192-S194 VanDerWaalsContact C-N 3.3Å; Y192-S194 PolarHBondContact O-N 3.42Å; Y192-V195 CarbonylContact O-C 3.56Å; Y192-V195 WeakPolarHBondContact O-CG2 3.45Å; Y192-V195 PolarHBondContact O-N 2.8Å; Y192-V195 VanDerWaalsContact O-N 3.15Å; Y192-S196 WeakPolarHBondContact O-CB 3.21Å; Y192-S196 PolarHBondContact O-N 2.88Å; Y192-C289 HydrophobicContact CD1-CB 4.31Å; Y192-C289 HydrophobicContact CD2-CB 3.63Å; Y192-C289 HydrophobicContact CE2-CB 4.25Å; Y192-C289 HydrophobicContact CG-CB 3.67Å; Y192-V292 HydrophobicContact CE2-CG1 4.34Å; Y192-Y295 AromaticContact CE2-CD2 3.8Å; Y192-Y295 HydrophobicContact CE2-CD2 3.8Å; Y192-Y295 HydrophobicContact CE2-CE2 4.12Å; Y192-Y295 AromaticContact CZ-CD2 3.58Å; Y192-Y295 WeakPolarHBondContact OH-CB 3.35Å; Y192-Y295 WeakPolarHBondContact OH-CD2 3.04Å; Y192-I301 HydrophobicContact CE1-CG2 4.06Å; Y192-C302 HydrophobicContact CD1-CB 3.44Å; Y192-C302 VanDerWaalsContact CD1-CB 3.44Å; Y192-C302 HydrophobicContact CE1-CB 3.32Å; Y192-C302 HydrophobicContact CE2-CB 4.45Å; Y192-C302 HydrophobicContact CG-CB 4.12Å; Y192-H391 HydrophobicContact CD2-CB 4.23Å
193	Y	98.7	Very high	97.7	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.016	14%	0.138	C	C	.	.	H	α-helix	trans	-67.5	-31	-177.2	-172.6	-100.1	0	0	0	112.4	R86 W89 W189 H191 V195 S196 I301 V440 P441	R86-Y193 WeakPolarHBondContact CD-O 3.43Å; R86-Y193 HydrophobicContact CG-CD1 4.17Å; R86-Y193 HydrophobicContact CG-CE1 3.44Å; R86-Y193 VanDerWaalsContact CG-CE1 3.44Å; R86-Y193 PolarHBondContact NH1-O 2.96Å; W89-Y193 HydrophobicContact CZ3-CE1 4.09Å; W189-Y193 HydrophobicContact CH2-CD1 4.14Å; W189-Y193 AromaticContact CH2-CD2 3.72Å; W189-Y193 HydrophobicContact CH2-CD2 3.72Å; W189-Y193 HydrophobicContact CH2-CE2 4.24Å; W189-Y193 AromaticContact CH2-CG 3.66Å; W189-Y193 HydrophobicContact CH2-CG 3.66Å; W189-Y193 AromaticContact CZ2-CD2 3.83Å; W189-Y193 HydrophobicContact CZ2-CD2 3.83Å; W189-Y193 HydrophobicContact CZ2-CE2 4.44Å; W189-Y193 HydrophobicContact CZ2-CG 4.13Å; W189-Y193 HydrophobicContact CZ3-CD1 4.28Å; W189-Y193 HydrophobicContact CZ3-CD2 4.44Å; W189-Y193 AromaticContact CZ3-CG 3.94Å; W189-Y193 HydrophobicContact CZ3-CG 3.94Å; W189-Y193 WeakPolarHBondContact O-CB 3.1Å; W189-Y193 PolarHBondContact O-N 2.72Å; H191-Y193 VanDerWaalsContact C-N 3.28Å; H191-Y193 PolarHBondContact O-N 3.32Å; Y193-V195 VanDerWaalsContact C-N 3.31Å; Y193-S196 PolarHBondContact O-OG 2.72Å; Y193-I301 HydrophobicContact CD2-CG2 3.98Å; Y193-I301 HydrophobicContact CE2-CD1 3.89Å; Y193-I301 HydrophobicContact CE2-CG2 4.39Å; Y193-V440 HydrophobicContact CD1-CG1 4.09Å; Y193-V440 HydrophobicContact CE1-CG1 4.02Å; Y193-P441 HydrophobicContact CD1-CB 3.51Å; Y193-P441 HydrophobicContact CD1-CG 3.65Å; Y193-P441 HydrophobicContact CE1-CB 3.8Å; Y193-P441 HydrophobicContact CE1-CG 4.44Å; Y193-P441 HydrophobicContact CG-CG 4.35Å
194	S	98.8	Very high	97.6	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-70	-27	174.4	74.9	0	0	0	0	113.3	S190 H191 Y192 F212 S213 W222 V440	S190-S194 PolarHBondContact O-N 3.2Å; S190-S194 VanDerWaalsContact O-N 3.14Å; H191-S194 PolarHBondContact O-N 2.81Å; H191-S194 PolarHBondContact O-OG 2.91Å; Y192-S194 VanDerWaalsContact C-N 3.3Å; Y192-S194 PolarHBondContact O-N 3.42Å; S194-F212 WeakPolarHBondContact O-CB 3.3Å; S194-F212 WeakPolarHBondContact O-CD2 3.49Å; S194-F212 PolarHBondContact O-N 2.99Å; S194-S213 WeakPolarHBondContact OG-CB 3.49Å; S194-S213 PolarHBondContact OG-OG 2.91Å; S194-W222 WeakPolarHBondContact OG-CZ2 3.48Å; S194-V440 WeakPolarHBondContact CB-O 3.23Å
195	V	98.5	Very high	97.4	Very high	19 Å²	19	29.3 Å²	29.3	12%	0.115	20%	0.198	C	C	.	.	H	α-helix	trans	-108.6	-5.3	-175.1	-51.7	0	0	0	0	113.9	H191 Y192 Y193 D211 S213 H214 T390 H391	H191-V195 PolarHBondContact O-N 3.36Å; Y192-V195 CarbonylContact O-C 3.56Å; Y192-V195 WeakPolarHBondContact O-CG2 3.45Å; Y192-V195 PolarHBondContact O-N 2.8Å; Y192-V195 VanDerWaalsContact O-N 3.15Å; Y193-V195 VanDerWaalsContact C-N 3.31Å; V195-D211 WeakPolarHBondContact CG1-OD2 3.33Å; V195-S213 WeakPolarHBondContact CG1-OG 3.39Å; V195-H214 WeakPolarHBondContact CG1-ND1 3.3Å; V195-T390 HydrophobicContact CB-CG2 4.08Å; V195-T390 HydrophobicContact CG1-CG2 3.88Å; V195-T390 HydrophobicContact CG2-CG2 4.16Å; V195-H391 HydrophobicContact CG2-CB 4.36Å
196	S	97.5	Very high	97.4	Very high	14 Å²	14	30.1 Å²	30.1	10%	0.098	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-64.7	153.5	-178	68.4	0	0	0	0	111.2	R86 Y192 Y193	R86-S196 VanDerWaalsContact CZ-O 3.23Å; R86-S196 PolarHBondContact NH1-O 3.04Å; R86-S196 PolarHBondContact NH1-OG 3.05Å; R86-S196 VanDerWaalsContact NH1-OG 3.13Å; R86-S196 PolarHBondContact NH2-O 3.11Å; Y192-S196 WeakPolarHBondContact O-CB 3.21Å; Y192-S196 PolarHBondContact O-N 2.88Å; Y193-S196 PolarHBondContact O-OG 2.72Å
197	K	98.3	Very high	97.3	Very high	89 Å²	89	32.1 Å²	32.1	39%	0.387	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-67.9	157.7	177.4	-59.8	-169.7	-167.8	143	0	111.4	F199 F207 D296	K197-F199 PolarHBondContact O-N 3.06Å; K197-F207 WeakPolarHBondContact CA-O 3.44Å; K197-F207 VanDerWaalsContact CB-O 3.3Å; K197-F207 WeakPolarHBondContact CB-O 3.16Å; K197-D296 WeakPolarHBondContact CD-OD2 3.39Å; K197-D296 WeakPolarHBondContact CE-OD2 3.26Å; K197-D296 IonicContact NZ-OD2 3.38Å; K197-D296 PolarHBondContact NZ-OD2 3.09Å
198	T	98.4	Very high	97.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-77.6	118.7	167.3	-62.3	0	0	0	0	109.3	Y78 R83 D84 L200 S206 F207	Y78-T198 WeakPolarHBondContact CE2-OG1 3.28Å; Y78-T198 PolarHBondContact OH-OG1 2.76Å; R83-T198 HydrophobicContact CB-CG2 4.32Å; D84-T198 HydrophobicContact CB-CG2 3.94Å; D84-T198 WeakPolarHBondContact OD2-CA 3.27Å; D84-T198 VanDerWaalsContact OD2-CB 3.3Å; D84-T198 WeakPolarHBondContact OD2-CB 3.49Å; D84-T198 PolarHBondContact OD2-OG1 3.46Å; T198-L200 HydrophobicContact CG2-CD2 3.93Å; T198-L200 PolarHBondContact O-N 2.92Å; T198-S206 CarbonylContact O-C 3.55Å; T198-S206 WeakPolarHBondContact O-CA 3.41Å; T198-S206 WeakPolarHBondContact O-CB 3.2Å; T198-F207 PolarHBondContact N-O 2.77Å; T198-F207 PolarHBondContact O-N 3.14Å
199	F	97.6	Very high	96.9	Very high	45 Å²	45	35.8 Å²	35.8	20%	0.197	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-72.8	121.9	173.9	-179	-112.7	0	0	0	111.1	K197 G201 A202 D296 G299	K197-F199 PolarHBondContact O-N 3.06Å; F199-G201 VanDerWaalsContact CE1-CA 3.47Å; F199-G201 VanDerWaalsContact CZ-CA 3.45Å; F199-A202 VanDerWaalsContact CZ-N 3.34Å; F199-D296 WeakPolarHBondContact CD2-O 3.12Å; F199-G299 VanDerWaalsContact CE1-CA 3.48Å; F199-G299 VanDerWaalsContact CE2-N 3.32Å; F199-G299 VanDerWaalsContact CZ-CA 3.5Å
200	L	96.7	Very high	96.8	Very high	20 Å²	20	36.1 Å²	36.1	11%	0.105	25%	0.254	C	S	.	.			trans	-99.5	-1.4	-177.6	-63.1	-176.9	0	0	0	113.8	H80 R83 T198 Q204 F207	H80-L200 HydrophobicContact CB-CD2 4.46Å; R83-L200 PolarHBondContact NH2-O 2.02Å; T198-L200 HydrophobicContact CG2-CD2 3.93Å; T198-L200 PolarHBondContact O-N 2.92Å; L200-Q204 HydrophobicContact CB-CB 4.16Å; L200-Q204 PolarHBondContact O-OE1 2.91Å; L200-F207 HydrophobicContact CD1-CB 4.18Å; L200-F207 HydrophobicContact CG-CB 4.49Å
201	G	93.9	Very high	96.8	Very high	23 Å²	23	37.4 Å²	37.4	24%	0.237	26%	0.261	C	S	.	.			trans	117.8	156.7	-178.8	0	0	0	0	0	112.7	F199 G203 Q204	F199-G201 VanDerWaalsContact CE1-CA 3.47Å; F199-G201 VanDerWaalsContact CZ-CA 3.45Å; G201-G203 PolarHBondContact O-N 3.2Å; G201-Q204 WeakPolarHBondContact O-CB 3.47Å; G201-Q204 PolarHBondContact O-N 3.41Å
202	A	92.4	Very high	96.8	Very high	87 Å²	87	37.5 Å²	37.5	72%	0.719	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	132.4	-178.4	0	0	0	0	0	111.4	F199 Q204	F199-A202 VanDerWaalsContact CZ-N 3.34Å; A202-Q204 VanDerWaalsContact C-N 3.27Å; A202-Q204 PolarHBondContact O-N 3.38Å
203	G	92.6	Very high	96.8	Very high	89 Å²	89	37.2 Å²	37.2	92%	0.918	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	0.5	-177.1	0	0	0	0	0	115.1	G201	G201-G203 PolarHBondContact O-N 3.2Å
204	Q	95.8	Very high	96.8	Very high	113 Å²	113	37.7 Å²	37.7	53%	0.528	26%	0.263	S	S	.	.	S	Bend	trans	-105.3	143.8	169.2	-59.7	-171.6	5.1	0	0	110.1	L200 G201 A202 S206	L200-Q204 HydrophobicContact CB-CB 4.16Å; L200-Q204 PolarHBondContact O-OE1 2.91Å; G201-Q204 WeakPolarHBondContact O-CB 3.47Å; G201-Q204 PolarHBondContact O-N 3.41Å; A202-Q204 VanDerWaalsContact C-N 3.27Å; A202-Q204 PolarHBondContact O-N 3.38Å; Q204-S206 PolarHBondContact O-N 3.35Å
205	A	96.3	Very high	96.8	Very high	90 Å²	90	39.8 Å²	39.8	74%	0.744	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-68.6	126.8	173.9	0	0	0	0	0	109.8
206	S	97.5	Very high	96.8	Very high	21 Å²	21	38.9 Å²	38.9	15%	0.147	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-63.4	143.9	174.4	-70.5	0	0	0	0	111.7	T198 Q204 D296	T198-S206 CarbonylContact O-C 3.55Å; T198-S206 WeakPolarHBondContact O-CA 3.41Å; T198-S206 WeakPolarHBondContact O-CB 3.2Å; Q204-S206 PolarHBondContact O-N 3.35Å; S206-D296 PolarHBondContact OG-O 2.84Å
207	F	97.9	Very high	96.8	Very high	45 Å²	45	38.2 Å²	38.2	20%	0.197	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-86.8	119.7	-175.4	178.9	-98.4	0	0	0	111.3	Q77 Y78 P79 H80 K197 T198 L200 G209 V210	Q77-F207 WeakPolarHBondContact O-CZ 3.43Å; Y78-F207 HydrophobicContact CD2-CD1 4.13Å; Y78-F207 AromaticContact CD2-CE1 3.86Å; Y78-F207 HydrophobicContact CD2-CE1 3.86Å; Y78-F207 HydrophobicContact CE2-CD1 4.18Å; Y78-F207 HydrophobicContact CE2-CE1 4.37Å; P79-F207 HydrophobicContact CG-CE2 4.41Å; P79-F207 HydrophobicContact CG-CZ 4.46Å; H80-F207 AromaticContact CD2-CD1 3.79Å; H80-F207 AromaticContact CD2-CD2 3.72Å; H80-F207 AromaticContact CD2-CG 3.45Å; H80-F207 VanDerWaalsContact CD2-CG 3.45Å; H80-F207 WeakPolarHBondContact CD2-CG 3.38Å; H80-F207 AromaticContact NE2-CD2 3.45Å; H80-F207 WeakPolarHBondContact NE2-CD2 3.49Å; H80-F207 AromaticContact NE2-CG 3.64Å; K197-F207 WeakPolarHBondContact CA-O 3.44Å; K197-F207 VanDerWaalsContact CB-O 3.3Å; K197-F207 WeakPolarHBondContact CB-O 3.16Å; T198-F207 PolarHBondContact N-O 2.77Å; T198-F207 PolarHBondContact O-N 3.14Å; L200-F207 HydrophobicContact CD1-CB 4.18Å; L200-F207 HydrophobicContact CG-CB 4.49Å; F207-G209 VanDerWaalsContact CE1-CA 3.48Å; F207-G209 WeakPolarHBondContact CE1-O 3.28Å; F207-V210 HydrophobicContact CD1-CB 4.28Å; F207-V210 HydrophobicContact CD1-CG1 4.06Å; F207-V210 HydrophobicContact CE1-CB 4.17Å; F207-V210 HydrophobicContact CE1-CG1 4.43Å
208	G	95.4	Very high	96.9	Very high	47 Å²	47	34 Å²	34	49%	0.485	24%	0.244	S	C	.	.			trans	-105.5	4.5	-177.7	0	0	0	0	0	115.8	V210	G208-V210 PolarHBondContact O-N 3.09Å
209	G	93.3	Very high	96.9	Very high	34 Å²	34	34 Å²	34	35%	0.351	24%	0.244	S	C	.	.	S	Bend	trans	-79.2	33.1	175.1	0	0	0	0	0	113.1	F207	F207-G209 VanDerWaalsContact CE1-CA 3.48Å; F207-G209 WeakPolarHBondContact CE1-O 3.28Å
210	V	97.5	Very high	97	Very high	11 Å²	11	32 Å²	32	7%	0.067	24%	0.236	C	C	.	.			trans	-140.7	133.3	-174.7	62	0	0	0	0	109.7	Y78 F207 G208 F212 I431	Y78-V210 HydrophobicContact CD2-CB 3.94Å; Y78-V210 HydrophobicContact CD2-CG2 3.95Å; Y78-V210 HydrophobicContact CE2-CB 4.23Å; Y78-V210 HydrophobicContact CE2-CG1 4.46Å; Y78-V210 HydrophobicContact CE2-CG2 4.17Å; F207-V210 HydrophobicContact CD1-CB 4.28Å; F207-V210 HydrophobicContact CD1-CG1 4.06Å; F207-V210 HydrophobicContact CE1-CB 4.17Å; F207-V210 HydrophobicContact CE1-CG1 4.43Å; G208-V210 PolarHBondContact O-N 3.09Å; V210-F212 HydrophobicContact CG2-CD2 3.99Å; V210-F212 HydrophobicContact CG2-CE2 3.49Å; V210-F212 VanDerWaalsContact CG2-CE2 3.49Å; V210-F212 HydrophobicContact CG2-CZ 4.23Å; V210-I431 HydrophobicContact CG2-CG2 3.6Å
211	D	98.5	Very high	97.1	Very high	28 Å²	28	31 Å²	31	15%	0.15	23%	0.231	C	C	.	.			trans	-148.8	132.4	172.6	-166.4	-48.2	0	0	0	106.1	V195 S213 H214 H433	V195-D211 WeakPolarHBondContact CG1-OD2 3.33Å; D211-S213 PolarHBondContact OD1-N 3.38Å; D211-S213 PolarHBondContact OD1-OG 3.48Å; D211-H214 IonicContact OD1-CG 2.63Å; D211-H214 PolarHBondContact OD1-N 3.1Å; D211-H214 IonicContact OD1-ND1 3.26Å; D211-H214 PolarHBondContact OD1-ND1 3.48Å; D211-H214 VanDerWaalsContact OD1-ND1 3.12Å; D211-H214 IonicContact OD2-CG 3.81Å; D211-H214 IonicContact OD2-ND1 3.12Å; D211-H214 PolarHBondContact OD2-ND1 3.36Å; D211-H433 PolarHBondContact O-NE2 2.94Å
212	F	98.8	Very high	97.3	Very high	2 Å²	2	30 Å²	30	1%	0.009	22%	0.219	C	C	.	.	S	Bend	trans	-98.3	-1.4	-178.4	-72.8	-103.2	0	0	0	113	R86 S194 V210 I431 Y437 V440	R86-F212 HydrophobicContact CB-CD1 4.45Å; R86-F212 HydrophobicContact CB-CD2 4.43Å; R86-F212 HydrophobicContact CB-CE1 3.83Å; R86-F212 HydrophobicContact CB-CE2 3.81Å; R86-F212 HydrophobicContact CB-CZ 3.47Å; R86-F212 VanDerWaalsContact CB-CZ 3.47Å; S194-F212 WeakPolarHBondContact O-CB 3.3Å; S194-F212 WeakPolarHBondContact O-CD2 3.49Å; S194-F212 PolarHBondContact O-N 2.99Å; V210-F212 HydrophobicContact CG2-CD2 3.99Å; V210-F212 HydrophobicContact CG2-CE2 3.49Å; V210-F212 VanDerWaalsContact CG2-CE2 3.49Å; V210-F212 HydrophobicContact CG2-CZ 4.23Å; F212-I431 HydrophobicContact CE1-CD1 4.37Å; F212-I431 HydrophobicContact CE1-CG1 3.98Å; F212-I431 HydrophobicContact CE1-CG2 4.48Å; F212-I431 HydrophobicContact CZ-CD1 4.17Å; F212-I431 HydrophobicContact CZ-CG1 4.18Å; F212-I431 HydrophobicContact CZ-CG2 4.2Å; F212-Y437 HydrophobicContact CD1-CE1 4.35Å; F212-Y437 HydrophobicContact CE1-CE1 4.3Å; F212-V440 HydrophobicContact CB-CB 4.16Å; F212-V440 HydrophobicContact CB-CG2 4.36Å; F212-V440 HydrophobicContact CD1-CB 4.11Å; F212-V440 HydrophobicContact CD1-CG2 3.46Å; F212-V440 VanDerWaalsContact CD1-CG2 3.46Å; F212-V440 HydrophobicContact CE1-CG2 4.01Å; F212-V440 HydrophobicContact CG-CB 4.28Å; F212-V440 HydrophobicContact CG-CG2 4.14Å
213	S	98.7	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-138.4	-3.4	-173	60.9	0	0	0	0	114.6	S194 V195 D211 F219 W222 H223	S194-S213 WeakPolarHBondContact OG-CB 3.49Å; S194-S213 PolarHBondContact OG-OG 2.91Å; V195-S213 WeakPolarHBondContact CG1-OG 3.39Å; D211-S213 PolarHBondContact OD1-N 3.38Å; D211-S213 PolarHBondContact OD1-OG 3.48Å; S213-F219 VanDerWaalsContact O-CA 3.27Å; S213-F219 WeakPolarHBondContact O-CA 3.43Å; S213-W222 VanDerWaalsContact CB-CG 3.46Å; S213-H223 PolarHBondContact O-CE1 2.96Å; S213-H223 VanDerWaalsContact O-CE1 3.31Å
214	H	98.8	Very high	97.9	Very high	14 Å²	14	21.9 Å²	21.9	7%	0.065	14%	0.143	C	C	.	.	S	Bend	trans	-136.4	171.1	175	-49.6	77.7	0	0	0	111.4	H191 V195 D211 G216 H223 H433	H191-H214 AromaticContact CE1-CE1 3.6Å; H191-H214 AromaticContact CE1-NE2 3.93Å; H191-H214 AromaticContact NE2-CE1 3.12Å; H191-H214 PolarHBondContact NE2-CE1 3.43Å; H191-H214 AromaticContact NE2-NE2 3.28Å; H191-H214 PolarHBondContact NE2-NE2 3.27Å; V195-H214 WeakPolarHBondContact CG1-ND1 3.3Å; D211-H214 IonicContact OD1-CG 2.63Å; D211-H214 PolarHBondContact OD1-N 3.1Å; D211-H214 IonicContact OD1-ND1 3.26Å; D211-H214 PolarHBondContact OD1-ND1 3.48Å; D211-H214 VanDerWaalsContact OD1-ND1 3.12Å; D211-H214 IonicContact OD2-CG 3.81Å; D211-H214 IonicContact OD2-ND1 3.12Å; D211-H214 PolarHBondContact OD2-ND1 3.36Å; H214-G216 PolarHBondContact O-N 3.22Å; H214-G216 VanDerWaalsContact O-N 3.14Å; H214-H223 AromaticContact CD2-CE1 3.77Å; H214-H223 AromaticContact CE1-CE1 3.68Å; H214-H223 AromaticContact CE1-NE2 3.86Å; H214-H223 AromaticContact NE2-CE1 3.26Å; H214-H223 PolarHBondContact NE2-CE1 3.13Å; H214-H223 VanDerWaalsContact NE2-CE1 3.26Å; H214-H223 AromaticContact NE2-NE2 3.41Å; H214-H223 PolarHBondContact NE2-NE2 3.26Å; H214-H433 PolarHBondContact O-CE1 3.29Å; H214-H433 PolarHBondContact O-NE2 3.41Å
215	E	98.4	Very high	98.1	Very high	44 Å²	44	17.7 Å²	17.7	21%	0.206	12%	0.123	C	C	.	.	S	Bend	trans	58.1	27.2	176.2	-51.2	-159.8	179.7	0	0	113.8	Y347 S348 E359 Y361	E215-Y347 HydrophobicContact CB-CD2 4.09Å; E215-Y347 HydrophobicContact CB-CE2 3.69Å; E215-Y347 CarbonylContact O-C 3.4Å; E215-Y347 WeakPolarHBondContact O-CA 3.43Å; E215-Y347 WeakPolarHBondContact O-CD2 3.16Å; E215-Y347 WeakPolarHBondContact OE2-CE2 3.47Å; E215-Y347 PolarHBondContact OE2-OH 3.27Å; E215-S348 PolarHBondContact O-N 2.99Å; E215-S348 WeakPolarHBondContact OE2-CB 3.27Å; E215-S348 PolarHBondContact OE2-OG 3.42Å; E215-E359 PolarHBondContact N-OE1 2.9Å; E215-Y361 HydrophobicContact CG-CE2 3.88Å; E215-Y361 WeakPolarHBondContact CG-OH 3.41Å; E215-Y361 PolarHBondContact OE1-OH 3.35Å
216	G	98.5	Very high	98.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-168.8	173.7	177.1	0	0	0	0	0	113.2	H214 G218 F219 F346 R355 H433	H214-G216 PolarHBondContact O-N 3.22Å; H214-G216 VanDerWaalsContact O-N 3.14Å; G216-G218 PolarHBondContact O-N 2.96Å; G216-F219 WeakPolarHBondContact O-CB 3.43Å; G216-F219 PolarHBondContact O-N 3.45Å; G216-F346 WeakPolarHBondContact CA-O 3.28Å; G216-R355 VanDerWaalsContact C-NE 3.26Å; G216-R355 VanDerWaalsContact CA-CZ 3.49Å; G216-R355 VanDerWaalsContact O-CD 3.25Å; G216-R355 WeakPolarHBondContact O-CD 3.46Å; G216-R355 PolarHBondContact O-NE 2.81Å; G216-H433 VanDerWaalsContact CA-ND1 3.33Å; G216-H433 WeakPolarHBondContact CA-ND1 3.09Å; G216-H433 PolarHBondContact O-ND1 3Å
217	P	98.7	Very high	98.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48	-36	-174.1	-27.4	26.2	0	0	0	115	F219 F341 D342 F346 Y424 P425 A429 H433	P217-F219 PolarHBondContact O-N 3.15Å; P217-F219 VanDerWaalsContact O-N 3.16Å; P217-F341 HydrophobicContact CB-CE1 4.11Å; P217-D342 WeakPolarHBondContact CA-OD2 3.22Å; P217-D342 VanDerWaalsContact CD-OD2 3.22Å; P217-D342 WeakPolarHBondContact CD-OD2 3.4Å; P217-D342 HydrophobicContact CG-CB 4.5Å; P217-D342 WeakPolarHBondContact CG-OD2 3.14Å; P217-F346 VanDerWaalsContact CD-O 3.29Å; P217-F346 WeakPolarHBondContact CD-O 3.23Å; P217-F346 HydrophobicContact CG-CB 3.82Å; P217-F346 HydrophobicContact CG-CD1 4.31Å; P217-F346 HydrophobicContact CG-CG 4.35Å; P217-Y424 HydrophobicContact CB-CD1 4.24Å; P217-Y424 HydrophobicContact CB-CE1 3.57Å; P217-Y424 HydrophobicContact CB-CE2 4.04Å; P217-Y424 VanDerWaalsContact CB-CZ 3.45Å; P217-Y424 PolarHBondContact O-OH 3.36Å; P217-P425 HydrophobicContact CB-CG 4.13Å; P217-P425 HydrophobicContact CG-CG 3.5Å; P217-P425 VanDerWaalsContact CG-CG 3.5Å; P217-A429 HydrophobicContact CG-CB 4.19Å; P217-H433 HydrophobicContact CG-CB 4.45Å
218	G	98.6	Very high	98.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.7	-11.9	178.9	0	0	0	0	0	116	G216 L220 T221 W222 Y424 H433 N448	G216-G218 PolarHBondContact O-N 2.96Å; G218-L220 PolarHBondContact O-N 3.27Å; G218-T221 WeakPolarHBondContact CA-OG1 3.48Å; G218-T221 PolarHBondContact O-N 3.03Å; G218-T221 PolarHBondContact O-OG1 3.32Å; G218-W222 WeakPolarHBondContact O-CB 3.44Å; G218-W222 PolarHBondContact O-N 3.32Å; G218-Y424 WeakPolarHBondContact CA-OH 3.21Å; G218-Y424 PolarHBondContact N-OH 2.83Å; G218-H433 WeakPolarHBondContact CA-ND1 3.17Å; G218-H433 PolarHBondContact N-ND1 2.58Å; G218-N448 WeakPolarHBondContact CA-OD1 3.44Å
219	F	98.9	Very high	98.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-52.1	-51.8	-175.5	164.1	-111.2	0	0	0	113.6	S213 G216 P217 H223 R355 V358 E359 H376 T406	S213-F219 VanDerWaalsContact O-CA 3.27Å; S213-F219 WeakPolarHBondContact O-CA 3.43Å; G216-F219 WeakPolarHBondContact O-CB 3.43Å; G216-F219 PolarHBondContact O-N 3.45Å; P217-F219 PolarHBondContact O-N 3.15Å; P217-F219 VanDerWaalsContact O-N 3.16Å; F219-H223 AromaticContact CD2-CE1 3.66Å; F219-H223 AromaticContact CD2-ND1 3.48Å; F219-H223 WeakPolarHBondContact CD2-ND1 3.27Å; F219-H223 AromaticContact CE2-CE1 3.75Å; F219-H223 AromaticContact CE2-ND1 3.61Å; F219-H223 PolarHBondContact O-N 3.38Å; F219-H223 PolarHBondContact O-ND1 2.73Å; F219-R355 HydrophobicContact CB-CG 4.42Å; F219-V358 HydrophobicContact CE1-CG1 4.48Å; F219-E359 HydrophobicContact CD1-CB 3.65Å; F219-E359 HydrophobicContact CD1-CG 3.85Å; F219-E359 HydrophobicContact CD2-CG 4.11Å; F219-E359 HydrophobicContact CE1-CB 3.59Å; F219-E359 HydrophobicContact CE1-CG 3.88Å; F219-E359 HydrophobicContact CE2-CG 4.13Å; F219-E359 HydrophobicContact CG-CB 4.29Å; F219-E359 HydrophobicContact CG-CG 3.99Å; F219-E359 HydrophobicContact CZ-CB 4.16Å; F219-E359 HydrophobicContact CZ-CG 4.03Å; F219-H376 AromaticContact CE2-CE1 3.56Å; F219-H376 AromaticContact CE2-NE2 3.59Å; F219-H376 HydrophobicContact CZ-CB 4.36Å; F219-H376 AromaticContact CZ-CD2 3.68Å; F219-H376 AromaticContact CZ-CE1 3.72Å; F219-H376 AromaticContact CZ-CG 3.7Å; F219-H376 AromaticContact CZ-ND1 3.73Å; F219-H376 AromaticContact CZ-NE2 3.67Å; F219-T406 HydrophobicContact CE1-CG2 4.09Å; F219-T406 HydrophobicContact CZ-CG2 4.02Å
220	L	98.9	Very high	98.6	Very high	4 Å²	4	8.9 Å²	8.9	2%	0.021	4%	0.043	C	C	.	.	H	α-helix	trans	-74.2	-42.4	-174.9	-69.6	169.2	0	0	0	112.2	G218 R224 F341 F354 R355 V358 T406 F410	G218-L220 PolarHBondContact O-N 3.27Å; L220-R224 WeakPolarHBondContact O-CB 3.27Å; L220-R224 PolarHBondContact O-N 2.89Å; L220-F341 HydrophobicContact CD1-CE2 3.85Å; L220-F354 HydrophobicContact CD1-CD1 4.17Å; L220-F354 HydrophobicContact CD1-CE1 3.64Å; L220-R355 HydrophobicContact CD1-CB 4.41Å; L220-R355 HydrophobicContact CD1-CG 4.32Å; L220-V358 HydrophobicContact CD1-CG1 3.85Å; L220-V358 HydrophobicContact CD2-CG1 3.86Å; L220-V358 HydrophobicContact CG-CG1 4.26Å; L220-T406 HydrophobicContact CD2-CG2 3.85Å; L220-F410 HydrophobicContact CB-CD1 3.78Å; L220-F410 HydrophobicContact CB-CD2 4.26Å; L220-F410 HydrophobicContact CB-CE1 3.94Å; L220-F410 HydrophobicContact CB-CE2 4.4Å; L220-F410 HydrophobicContact CB-CG 3.94Å; L220-F410 HydrophobicContact CB-CZ 4.25Å; L220-F410 HydrophobicContact CD1-CB 4.22Å; L220-F410 HydrophobicContact CD1-CD2 3.74Å; L220-F410 HydrophobicContact CD1-CE2 4.24Å; L220-F410 HydrophobicContact CD1-CG 3.96Å; L220-F410 HydrophobicContact CD2-CB 4.03Å; L220-F410 HydrophobicContact CD2-CG 4.34Å; L220-F410 HydrophobicContact CG-CB 4.48Å; L220-F410 HydrophobicContact CG-CG 4.29Å
221	T	98.9	Very high	98.7	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-68.3	-38.5	-179.7	41.7	0	0	0	0	111.8	G218 F225 F410 Y424 M439 N448 M451 F452	G218-T221 WeakPolarHBondContact CA-OG1 3.48Å; G218-T221 PolarHBondContact O-N 3.03Å; G218-T221 PolarHBondContact O-OG1 3.32Å; T221-F225 PolarHBondContact O-N 2.84Å; T221-F225 VanDerWaalsContact O-N 3.11Å; T221-F410 HydrophobicContact CG2-CE1 4.34Å; T221-F410 HydrophobicContact CG2-CZ 4.24Å; T221-Y424 HydrophobicContact CG2-CE2 4.3Å; T221-M439 VanDerWaalsContact O-SD 3.42Å; T221-N448 VanDerWaalsContact CG2-O 3.3Å; T221-N448 WeakPolarHBondContact CG2-O 3.47Å; T221-N448 PolarHBondContact OG1-OD1 2.84Å; T221-M451 HydrophobicContact CG2-CB 3.8Å; T221-F452 HydrophobicContact CG2-CB 4.21Å; T221-F452 HydrophobicContact CG2-CD2 4.2Å
222	W	98.9	Very high	98.6	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-63.5	-52.2	176.6	-169	102.7	0	0	0	111.3	H191 S194 S213 G218 R224 F225 H226 M439 V440 F442	H191-W222 VanDerWaalsContact CA-CH2 3.49Å; H191-W222 HydrophobicContact CB-CH2 3.88Å; H191-W222 HydrophobicContact CB-CZ3 4.44Å; H191-W222 AromaticContact CD2-CH2 3.95Å; H191-W222 AromaticContact CD2-CZ3 3.71Å; S194-W222 WeakPolarHBondContact OG-CZ2 3.48Å; S213-W222 VanDerWaalsContact CB-CG 3.46Å; G218-W222 WeakPolarHBondContact O-CB 3.44Å; G218-W222 PolarHBondContact O-N 3.32Å; W222-R224 VanDerWaalsContact C-N 3.32Å; W222-R224 PolarHBondContact O-N 3.34Å; W222-F225 PolarHBondContact O-N 3.46Å; W222-H226 HydrophobicContact CE3-CB 4.03Å; W222-H226 HydrophobicContact CH2-CB 4.19Å; W222-H226 AromaticContact CH2-CD2 3.8Å; W222-H226 AromaticContact CH2-CG 3.76Å; W222-H226 AromaticContact CH2-ND1 3.94Å; W222-H226 AromaticContact CH2-NE2 3.95Å; W222-H226 HydrophobicContact CZ3-CB 3.65Å; W222-H226 AromaticContact CZ3-CE1 3.95Å; W222-H226 AromaticContact CZ3-CG 3.48Å; W222-H226 VanDerWaalsContact CZ3-CG 3.48Å; W222-H226 AromaticContact CZ3-ND1 3.46Å; W222-H226 WeakPolarHBondContact CZ3-ND1 3.24Å; W222-H226 WeakPolarHBondContact O-CB 3.04Å; W222-H226 PolarHBondContact O-N 3.42Å; W222-M439 VanDerWaalsContact CA-SD 3.56Å; W222-M439 HydrophobicContact CB-SD 4.31Å; W222-V440 PolarHBondContact NE1-O 3.14Å; W222-F442 AromaticContact CD1-CE2 3.87Å; W222-F442 AromaticContact CD2-CE2 3.87Å; W222-F442 HydrophobicContact CD2-CE2 3.87Å; W222-F442 HydrophobicContact CD2-CZ 4.03Å; W222-F442 AromaticContact CE2-CE2 3.53Å; W222-F442 AromaticContact CE2-CZ 3.6Å; W222-F442 HydrophobicContact CE3-CZ 4.4Å; W222-F442 HydrophobicContact CG-CE2 4.03Å; W222-F442 AromaticContact CH2-CZ 3.89Å; W222-F442 HydrophobicContact CH2-CZ 3.89Å; W222-F442 HydrophobicContact CZ2-CE1 4.36Å; W222-F442 AromaticContact CZ2-CE2 3.96Å; W222-F442 HydrophobicContact CZ2-CE2 3.96Å; W222-F442 AromaticContact CZ2-CZ 3.54Å; W222-F442 HydrophobicContact CZ2-CZ 3.54Å; W222-F442 HydrophobicContact CZ3-CZ 4.33Å; W222-F442 AromaticContact NE1-CE2 3.55Å
223	H	98.9	Very high	98.5	Very high	5 Å²	5	9.3 Å²	9.3	2%	0.023	4%	0.042	C	C	.	.	H	α-helix	trans	-68.6	-31.2	-179.7	-71.6	90.1	0	0	0	112.5	H191 S213 H214 F219 H226 L227 F399 H403	H191-H223 AromaticContact CD2-NE2 3.58Å; H191-H223 AromaticContact NE2-NE2 3.49Å; H191-H223 PolarHBondContact NE2-NE2 3.08Å; S213-H223 PolarHBondContact O-CE1 2.96Å; S213-H223 VanDerWaalsContact O-CE1 3.31Å; H214-H223 AromaticContact CD2-CE1 3.77Å; H214-H223 AromaticContact CE1-CE1 3.68Å; H214-H223 AromaticContact CE1-NE2 3.86Å; H214-H223 AromaticContact NE2-CE1 3.26Å; H214-H223 PolarHBondContact NE2-CE1 3.13Å; H214-H223 VanDerWaalsContact NE2-CE1 3.26Å; H214-H223 AromaticContact NE2-NE2 3.41Å; H214-H223 PolarHBondContact NE2-NE2 3.26Å; F219-H223 AromaticContact CD2-CE1 3.66Å; F219-H223 AromaticContact CD2-ND1 3.48Å; F219-H223 WeakPolarHBondContact CD2-ND1 3.27Å; F219-H223 AromaticContact CE2-CE1 3.75Å; F219-H223 AromaticContact CE2-ND1 3.61Å; F219-H223 PolarHBondContact O-N 3.38Å; F219-H223 PolarHBondContact O-ND1 2.73Å; H223-H226 WeakPolarHBondContact O-CB 3.32Å; H223-H226 PolarHBondContact O-N 2.89Å; H223-L227 VanDerWaalsContact O-CG 3.29Å; H223-L227 WeakPolarHBondContact O-CG 3.45Å; H223-L227 PolarHBondContact O-N 3.07Å; H223-F399 AromaticContact CD2-CZ 3.86Å; H223-F399 AromaticContact NE2-CZ 4Å; H223-H403 AromaticContact CD2-CE1 3.08Å; H223-H403 PolarHBondContact CD2-CE1 3.09Å; H223-H403 AromaticContact CD2-CG 3.99Å; H223-H403 AromaticContact CD2-ND1 3.23Å; H223-H403 PolarHBondContact CD2-ND1 3.13Å; H223-H403 AromaticContact CD2-NE2 3.79Å; H223-H403 AromaticContact CG-CE1 3.6Å; H223-H403 AromaticContact CG-ND1 3.46Å; H223-H403 AromaticContact NE2-CE1 3.4Å; H223-H403 PolarHBondContact NE2-CE1 3.16Å
224	R	98.9	Very high	98.5	Very high	1 Å²	1	9.3 Å²	9.3	0%	0.004	4%	0.042	C	C	.	.	H	α-helix	trans	-58.5	-49.4	170.6	170.4	172.5	-74.9	-161.4	-13.2	111.7	L220 W222 L227 L228 D407 F410 D411 M451 V453 L459 Y461	L220-R224 WeakPolarHBondContact O-CB 3.27Å; L220-R224 PolarHBondContact O-N 2.89Å; W222-R224 VanDerWaalsContact C-N 3.32Å; W222-R224 PolarHBondContact O-N 3.34Å; R224-L227 PolarHBondContact O-N 2.96Å; R224-L228 WeakPolarHBondContact O-CB 3.48Å; R224-L228 PolarHBondContact O-N 3.24Å; R224-D407 IonicContact CZ-OD1 3.64Å; R224-D407 VanDerWaalsContact CZ-OD1 3.25Å; R224-D407 IonicContact NE-OD1 3.7Å; R224-D407 PolarHBondContact NE-OD1 3.48Å; R224-D407 IonicContact NH2-OD1 3.62Å; R224-D407 PolarHBondContact NH2-OD1 2.95Å; R224-F410 VanDerWaalsContact NH2-CD1 3.35Å; R224-D411 IonicContact NH2-OD1 2.99Å; R224-D411 PolarHBondContact NH2-OD1 3.37Å; R224-M451 WeakPolarHBondContact CD-O 3.37Å; R224-M451 HydrophobicContact CG-CB 4.42Å; R224-M451 HydrophobicContact CG-SD 4.12Å; R224-M451 PolarHBondContact NH1-O 2.73Å; R224-V453 PolarHBondContact NH1-O 2.68Å; R224-L459 HydrophobicContact CG-CD1 4.29Å; R224-Y461 PolarHBondContact NE-OH 3.17Å
225	F	98.8	Very high	98.4	Very high	26 Å²	26	9 Å²	9	11%	0.114	4%	0.04	C	C	.	.	H	α-helix	trans	-68.7	-36.1	177.3	-169.2	-91.6	0	0	0	112.2	T221 W222 L227 L228 Q229 M439 F442 V446 M451	T221-F225 PolarHBondContact O-N 2.84Å; T221-F225 VanDerWaalsContact O-N 3.11Å; W222-F225 PolarHBondContact O-N 3.46Å; F225-L227 VanDerWaalsContact C-N 3.32Å; F225-L227 PolarHBondContact O-N 2.98Å; F225-L228 HydrophobicContact CD2-CD2 4.5Å; F225-L228 PolarHBondContact O-N 2.95Å; F225-L228 VanDerWaalsContact O-N 3.14Å; F225-Q229 HydrophobicContact CE1-CB 4.3Å; F225-Q229 WeakPolarHBondContact O-CB 3.39Å; F225-Q229 PolarHBondContact O-N 3.42Å; F225-M439 HydrophobicContact CB-CE 3.72Å; F225-M439 HydrophobicContact CD2-CE 4.48Å; F225-M439 HydrophobicContact CG-CE 4.06Å; F225-F442 HydrophobicContact CB-CD2 4.43Å; F225-F442 HydrophobicContact CB-CE2 4.25Å; F225-F442 HydrophobicContact CD1-CB 3.86Å; F225-F442 AromaticContact CD1-CD1 3.63Å; F225-F442 HydrophobicContact CD1-CD1 3.63Å; F225-F442 AromaticContact CD1-CD2 3.41Å; F225-F442 HydrophobicContact CD1-CD2 3.41Å; F225-F442 VanDerWaalsContact CD1-CD2 3.41Å; F225-F442 HydrophobicContact CD1-CE1 4Å; F225-F442 AromaticContact CD1-CE2 3.79Å; F225-F442 HydrophobicContact CD1-CE2 3.79Å; F225-F442 AromaticContact CD1-CG 3.33Å; F225-F442 HydrophobicContact CD1-CG 3.33Å; F225-F442 HydrophobicContact CD1-CZ 4.08Å; F225-F442 HydrophobicContact CE1-CB 3.58Å; F225-F442 AromaticContact CE1-CD1 3.74Å; F225-F442 HydrophobicContact CE1-CD1 3.74Å; F225-F442 HydrophobicContact CE1-CD2 4.06Å; F225-F442 HydrophobicContact CE1-CE1 4.47Å; F225-F442 AromaticContact CE1-CG 3.52Å; F225-F442 HydrophobicContact CE1-CG 3.52Å; F225-F442 HydrophobicContact CG-CD2 4.24Å; F225-F442 HydrophobicContact CG-CE2 4.47Å; F225-V446 HydrophobicContact CD1-CG1 3.94Å; F225-V446 HydrophobicContact CD2-CB 4.44Å; F225-V446 HydrophobicContact CD2-CG1 3.95Å; F225-V446 HydrophobicContact CD2-CG2 3.92Å; F225-V446 HydrophobicContact CE1-CG1 3.81Å; F225-V446 HydrophobicContact CE2-CB 4.16Å; F225-V446 HydrophobicContact CE2-CG1 3.81Å; F225-V446 HydrophobicContact CE2-CG2 3.94Å; F225-V446 HydrophobicContact CG-CG1 4Å; F225-V446 HydrophobicContact CZ-CB 4.4Å; F225-V446 HydrophobicContact CZ-CG1 3.73Å; F225-M451 HydrophobicContact CB-CG 3.99Å; F225-M451 HydrophobicContact CB-SD 3.99Å; F225-M451 HydrophobicContact CD2-CE 3.9Å; F225-M451 HydrophobicContact CD2-CG 4.43Å; F225-M451 HydrophobicContact CD2-SD 3.8Å; F225-M451 HydrophobicContact CG-SD 4.4Å
226	H	98.9	Very high	98.2	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.009	5%	0.046	C	C	.	.	H	α-helix	trans	-55.1	-46.3	175	-170.1	-144.7	0	0	0	112.2	F187 S190 W222 H223 L230 F399 F442	F187-H226 AromaticContact CD2-CD2 3.38Å; F187-H226 WeakPolarHBondContact CD2-CD2 3.33Å; F187-H226 AromaticContact CD2-CE1 3.39Å; F187-H226 WeakPolarHBondContact CD2-CE1 3.46Å; F187-H226 AromaticContact CD2-CG 3.84Å; F187-H226 AromaticContact CD2-ND1 3.85Å; F187-H226 AromaticContact CD2-NE2 3.08Å; F187-H226 WeakPolarHBondContact CD2-NE2 3.18Å; F187-H226 AromaticContact CE1-CE1 3.82Å; F187-H226 HydrophobicContact CE2-CB 4.44Å; F187-H226 AromaticContact CE2-CD2 3.54Å; F187-H226 AromaticContact CE2-CE1 3.11Å; F187-H226 WeakPolarHBondContact CE2-CE1 3.47Å; F187-H226 AromaticContact CE2-CG 3.47Å; F187-H226 VanDerWaalsContact CE2-CG 3.47Å; F187-H226 AromaticContact CE2-ND1 3.21Å; F187-H226 WeakPolarHBondContact CE2-ND1 3.46Å; F187-H226 AromaticContact CE2-NE2 3.32Å; F187-H226 VanDerWaalsContact CE2-NE2 3.32Å; F187-H226 WeakPolarHBondContact CE2-NE2 3.42Å; F187-H226 AromaticContact CG-CE1 3.87Å; F187-H226 AromaticContact CG-NE2 3.56Å; F187-H226 AromaticContact CZ-CE1 3.34Å; F187-H226 WeakPolarHBondContact CZ-CE1 3.43Å; F187-H226 AromaticContact CZ-ND1 3.56Å; F187-H226 AromaticContact CZ-NE2 3.95Å; F187-H226 PolarHBondContact O-CE1 2.67Å; F187-H226 PolarHBondContact O-NE2 3.4Å; S190-H226 PolarHBondContact OG-NE2 3.11Å; W222-H226 HydrophobicContact CE3-CB 4.03Å; W222-H226 HydrophobicContact CH2-CB 4.19Å; W222-H226 AromaticContact CH2-CD2 3.8Å; W222-H226 AromaticContact CH2-CG 3.76Å; W222-H226 AromaticContact CH2-ND1 3.94Å; W222-H226 AromaticContact CH2-NE2 3.95Å; W222-H226 HydrophobicContact CZ3-CB 3.65Å; W222-H226 AromaticContact CZ3-CE1 3.95Å; W222-H226 AromaticContact CZ3-CG 3.48Å; W222-H226 VanDerWaalsContact CZ3-CG 3.48Å; W222-H226 AromaticContact CZ3-ND1 3.46Å; W222-H226 WeakPolarHBondContact CZ3-ND1 3.24Å; W222-H226 WeakPolarHBondContact O-CB 3.04Å; W222-H226 PolarHBondContact O-N 3.42Å; H223-H226 WeakPolarHBondContact O-CB 3.32Å; H223-H226 PolarHBondContact O-N 2.89Å; H226-L230 PolarHBondContact O-N 3.38Å; H226-F399 AromaticContact CE1-CE1 3.73Å; H226-F399 AromaticContact ND1-CE1 3.67Å; H226-F442 HydrophobicContact CB-CE1 4.43Å; H226-F442 HydrophobicContact CB-CZ 3.79Å
227	L	98.9	Very high	98.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-67	-42.7	174.3	-67.8	169.3	0	0	0	112.2	H223 R224 F225 Q229 L230 E231 L245 V400 H403 T404 D407	H223-L227 VanDerWaalsContact O-CG 3.29Å; H223-L227 WeakPolarHBondContact O-CG 3.45Å; H223-L227 PolarHBondContact O-N 3.07Å; R224-L227 PolarHBondContact O-N 2.96Å; F225-L227 VanDerWaalsContact C-N 3.32Å; F225-L227 PolarHBondContact O-N 2.98Å; L227-Q229 VanDerWaalsContact C-N 3.28Å; L227-Q229 PolarHBondContact O-N 3.24Å; L227-L230 PolarHBondContact O-N 2.9Å; L227-E231 VanDerWaalsContact O-CB 3.31Å; L227-E231 WeakPolarHBondContact O-CB 3.29Å; L227-E231 PolarHBondContact O-N 2.69Å; L227-L245 HydrophobicContact CB-CD1 4.35Å; L227-L245 HydrophobicContact CD2-CD1 4.15Å; L227-L245 WeakPolarHBondContact O-CD1 3.34Å; L227-V400 HydrophobicContact CD2-CG1 4.43Å; L227-H403 HydrophobicContact CD1-CB 4.03Å; L227-H403 HydrophobicContact CD2-CB 4.16Å; L227-H403 HydrophobicContact CG-CB 4.34Å; L227-T404 HydrophobicContact CD1-CG2 3.88Å; L227-T404 HydrophobicContact CD2-CG2 3.84Å; L227-T404 HydrophobicContact CG-CG2 4.38Å; L227-D407 HydrophobicContact CD1-CB 4.07Å
228	L	98.3	Very high	98.1	Very high	17 Å²	17	14 Å²	14	9%	0.089	7%	0.068	C	C	.	.	H	α-helix	trans	-61.8	-38.6	-179.8	-160.9	70.7	0	0	0	111.7	H114 R224 F225 R232 Y461	H114-L228 HydrophobicContact CB-CD1 4.15Å; H114-L228 HydrophobicContact CB-CG 4.45Å; H114-L228 WeakPolarHBondContact CD2-CD1 3.42Å; R224-L228 WeakPolarHBondContact O-CB 3.48Å; R224-L228 PolarHBondContact O-N 3.24Å; F225-L228 HydrophobicContact CD2-CD2 4.5Å; F225-L228 PolarHBondContact O-N 2.95Å; F225-L228 VanDerWaalsContact O-N 3.14Å; L228-R232 VanDerWaalsContact O-CB 3.28Å; L228-R232 WeakPolarHBondContact O-CB 3.33Å; L228-R232 PolarHBondContact O-N 2.9Å; L228-Y461 HydrophobicContact CD1-CD1 3.74Å; L228-Y461 HydrophobicContact CD1-CE1 3.75Å
229	Q	97.5	Very high	98	Very high	29 Å²	29	22.5 Å²	22.5	14%	0.136	11%	0.107	C	C	.	.	H	α-helix	trans	-65.6	-50.2	175.2	-175.5	60.6	55.7	0	0	111	Y186 F225 L227 E231 R232 D233	Y186-Q229 HydrophobicContact CE1-CG 4.05Å; F225-Q229 HydrophobicContact CE1-CB 4.3Å; F225-Q229 WeakPolarHBondContact O-CB 3.39Å; F225-Q229 PolarHBondContact O-N 3.42Å; L227-Q229 VanDerWaalsContact C-N 3.28Å; L227-Q229 PolarHBondContact O-N 3.24Å; Q229-E231 PolarHBondContact O-N 3.04Å; Q229-R232 PolarHBondContact O-N 3.2Å; Q229-D233 VanDerWaalsContact NE2-CG 3.29Å; Q229-D233 PolarHBondContact NE2-OD1 3.3Å; Q229-D233 VanDerWaalsContact NE2-OD1 3.15Å; Q229-D233 PolarHBondContact NE2-OD2 3.42Å; Q229-D233 PolarHBondContact O-N 2.96Å; Q229-D233 VanDerWaalsContact O-OD2 3.13Å
230	L	98.8	Very high	97.8	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-59.4	-46.9	177.1	176.2	63.8	0	0	0	112.1	V183 Y184 F187 H226 L227 R232 D233 M234 L245 V400	V183-L230 HydrophobicContact CG1-CD1 4.24Å; Y184-L230 HydrophobicContact CD2-CD1 4.49Å; F187-L230 HydrophobicContact CB-CD1 4.21Å; F187-L230 HydrophobicContact CD1-CD2 4.19Å; F187-L230 HydrophobicContact CD2-CB 3.63Å; F187-L230 HydrophobicContact CD2-CD1 4.48Å; F187-L230 HydrophobicContact CD2-CD2 3.8Å; F187-L230 HydrophobicContact CD2-CG 4.16Å; F187-L230 HydrophobicContact CE1-CD2 4.19Å; F187-L230 HydrophobicContact CE2-CB 3.98Å; F187-L230 HydrophobicContact CE2-CD2 3.79Å; F187-L230 HydrophobicContact CE2-CG 4.49Å; F187-L230 HydrophobicContact CG-CB 4.34Å; F187-L230 HydrophobicContact CG-CD1 4.37Å; F187-L230 HydrophobicContact CG-CD2 3.99Å; F187-L230 HydrophobicContact CG-CG 4.46Å; F187-L230 HydrophobicContact CZ-CD2 3.99Å; H226-L230 PolarHBondContact O-N 3.38Å; L227-L230 PolarHBondContact O-N 2.9Å; L230-R232 VanDerWaalsContact C-N 3.26Å; L230-R232 PolarHBondContact O-N 2.94Å; L230-D233 PolarHBondContact O-N 2.96Å; L230-M234 HydrophobicContact CD1-CG 4.04Å; L230-M234 HydrophobicContact CD1-SD 3.84Å; L230-M234 HydrophobicContact CD2-SD 4.41Å; L230-M234 HydrophobicContact CG-CG 4.42Å; L230-M234 HydrophobicContact CG-SD 3.87Å; L230-M234 WeakPolarHBondContact O-CB 3.44Å; L230-M234 VanDerWaalsContact O-CG 3.26Å; L230-M234 WeakPolarHBondContact O-CG 3.44Å; L230-M234 PolarHBondContact O-N 3.24Å; L230-L245 HydrophobicContact CD2-CD1 4.34Å; L230-L245 HydrophobicContact CG-CD1 4.49Å; L230-V400 HydrophobicContact CD2-CG1 4.24Å; L230-V400 HydrophobicContact CD2-CG2 3.68Å
231	E	98.7	Very high	97.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.4	-42.5	178.1	-170.1	170.6	-110.6	0	0	110.6	H114 R129 L227 Q229 M234 Q235 F243 A244 L245	H114-E231 IonicContact CD2-OE2 3.85Å; H114-E231 IonicContact CE1-OE2 3.4Å; H114-E231 PolarHBondContact CE1-OE2 2.93Å; H114-E231 IonicContact NE2-OE2 2.74Å; H114-E231 PolarHBondContact NE2-OE2 3.46Å; R129-E231 IonicContact CZ-OE1 2.8Å; R129-E231 IonicContact CZ-OE2 3.78Å; R129-E231 IonicContact NE-OE1 3.25Å; R129-E231 PolarHBondContact NE-OE1 3.19Å; R129-E231 IonicContact NE-OE2 3.25Å; R129-E231 IonicContact NH2-OE1 3.31Å; R129-E231 IonicContact NH2-OE2 3.89Å; R129-E231 PolarHBondContact NH2-OE2 3.47Å; L227-E231 VanDerWaalsContact O-CB 3.31Å; L227-E231 WeakPolarHBondContact O-CB 3.29Å; L227-E231 PolarHBondContact O-N 2.69Å; Q229-E231 PolarHBondContact O-N 3.04Å; E231-M234 PolarHBondContact O-N 3.43Å; E231-Q235 WeakPolarHBondContact O-CB 3.2Å; E231-Q235 WeakPolarHBondContact O-CG 3.29Å; E231-Q235 PolarHBondContact O-N 2.89Å; E231-F243 HydrophobicContact CG-CD1 4.45Å; E231-A244 WeakPolarHBondContact OE1-CA 3.33Å; E231-L245 HydrophobicContact CB-CD1 3.77Å; E231-L245 HydrophobicContact CB-CG 3.84Å; E231-L245 HydrophobicContact CG-CD1 4.43Å; E231-L245 HydrophobicContact CG-CG 4Å; E231-L245 PolarHBondContact OE1-N 3.3Å
232	R	95.9	Very high	97.2	Very high	45 Å²	45	31 Å²	31	17%	0.17	16%	0.161	C	C	.	.	H	α-helix	trans	-65.3	-45.8	177.8	-178.3	65	-162.3	-164	7.2	112.6	L228 Q229 L230 M234 Q235 D236	L228-R232 VanDerWaalsContact O-CB 3.28Å; L228-R232 WeakPolarHBondContact O-CB 3.33Å; L228-R232 PolarHBondContact O-N 2.9Å; Q229-R232 PolarHBondContact O-N 3.2Å; L230-R232 VanDerWaalsContact C-N 3.26Å; L230-R232 PolarHBondContact O-N 2.94Å; R232-M234 VanDerWaalsContact C-N 3.27Å; R232-M234 PolarHBondContact O-N 3.47Å; R232-Q235 WeakPolarHBondContact O-CB 3.35Å; R232-Q235 PolarHBondContact O-N 2.75Å; R232-D236 IonicContact CZ-OD1 3.53Å; R232-D236 IonicContact CZ-OD2 3.97Å; R232-D236 IonicContact NE-OD1 3.4Å; R232-D236 PolarHBondContact NE-OD1 3.32Å; R232-D236 IonicContact NE-OD2 3.19Å; R232-D236 PolarHBondContact NE-OD2 3.45Å; R232-D236 IonicContact NH2-OD1 3.04Å; R232-D236 PolarHBondContact NH2-OD1 3.35Å; R232-D236 IonicContact NH2-OD2 3.83Å; R232-D236 PolarHBondContact O-N 2.97Å
233	D	97.6	Very high	97.1	Very high	6 Å²	6	32 Å²	32	3%	0.032	17%	0.166	C	C	.	.	H	α-helix	trans	-67	-33.3	179.8	-64.7	-37.1	0	0	0	111.4	R111 H155 V183 Q229 L230 M237	R111-D233 IonicContact NH1-OD1 2.89Å; H155-D233 IonicContact CD2-OD2 3.92Å; H155-D233 IonicContact CE1-OD1 2.87Å; H155-D233 VanDerWaalsContact NE2-CG 3.35Å; H155-D233 IonicContact NE2-OD1 2.75Å; H155-D233 IonicContact NE2-OD2 3.09Å; H155-D233 PolarHBondContact NE2-OD2 2.94Å; H155-D233 VanDerWaalsContact NE2-OD2 3.14Å; V183-D233 HydrophobicContact CG1-CB 3.65Å; Q229-D233 VanDerWaalsContact NE2-CG 3.29Å; Q229-D233 PolarHBondContact NE2-OD1 3.3Å; Q229-D233 VanDerWaalsContact NE2-OD1 3.15Å; Q229-D233 PolarHBondContact NE2-OD2 3.42Å; Q229-D233 PolarHBondContact O-N 2.96Å; Q229-D233 VanDerWaalsContact O-OD2 3.13Å; L230-D233 PolarHBondContact O-N 2.96Å; D233-M237 WeakPolarHBondContact O-CB 3.34Å; D233-M237 PolarHBondContact O-N 2.99Å
234	M	98.5	Very high	97.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-70.2	-41.4	172.3	-69.7	180	73.2	0	0	112.4	A146 L147 A150 L230 E231 R232 D236 M237 L238 F243 L245	A146-M234 HydrophobicContact CB-CE 3.61Å; L147-M234 HydrophobicContact CD2-CE 4.03Å; L147-M234 HydrophobicContact CD2-SD 4.21Å; L147-M234 HydrophobicContact CG-CE 4.4Å; A150-M234 HydrophobicContact CB-CG 4.16Å; L230-M234 HydrophobicContact CD1-CG 4.04Å; L230-M234 HydrophobicContact CD1-SD 3.84Å; L230-M234 HydrophobicContact CD2-SD 4.41Å; L230-M234 HydrophobicContact CG-CG 4.42Å; L230-M234 HydrophobicContact CG-SD 3.87Å; L230-M234 WeakPolarHBondContact O-CB 3.44Å; L230-M234 VanDerWaalsContact O-CG 3.26Å; L230-M234 WeakPolarHBondContact O-CG 3.44Å; L230-M234 PolarHBondContact O-N 3.24Å; E231-M234 PolarHBondContact O-N 3.43Å; R232-M234 VanDerWaalsContact C-N 3.27Å; R232-M234 PolarHBondContact O-N 3.47Å; M234-D236 VanDerWaalsContact C-N 3.34Å; M234-D236 PolarHBondContact O-N 3.15Å; M234-M237 HydrophobicContact CG-CE 4.44Å; M234-M237 PolarHBondContact O-N 2.85Å; M234-L238 VanDerWaalsContact O-CB 3.27Å; M234-L238 WeakPolarHBondContact O-CB 3.08Å; M234-L238 WeakPolarHBondContact O-CG 3.38Å; M234-L238 PolarHBondContact O-N 3.1Å; M234-F243 HydrophobicContact CB-CD1 3.95Å; M234-F243 HydrophobicContact CB-CE1 3.64Å; M234-F243 HydrophobicContact CB-CZ 4.39Å; M234-F243 HydrophobicContact CE-CE1 3.78Å; M234-F243 HydrophobicContact CE-CE2 4.27Å; M234-F243 HydrophobicContact CE-CZ 3.4Å; M234-F243 HydrophobicContact CG-CE1 4.39Å; M234-F243 HydrophobicContact SD-CE1 3.93Å; M234-F243 HydrophobicContact SD-CZ 4.11Å; M234-L245 HydrophobicContact SD-CD2 3.97Å
235	Q	96.4	Very high	97.1	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.028	17%	0.173	C	C	.	.	H	α-helix	trans	-57.2	-47.4	173.1	-76.1	168.1	-4.2	0	0	111.2	E231 R232 L238 Q239 D240 F243	E231-Q235 WeakPolarHBondContact O-CB 3.2Å; E231-Q235 WeakPolarHBondContact O-CG 3.29Å; E231-Q235 PolarHBondContact O-N 2.89Å; R232-Q235 WeakPolarHBondContact O-CB 3.35Å; R232-Q235 PolarHBondContact O-N 2.75Å; Q235-L238 PolarHBondContact O-N 3.35Å; Q235-Q239 WeakPolarHBondContact O-CA 3.44Å; Q235-Q239 PolarHBondContact O-N 3.48Å; Q235-D240 WeakPolarHBondContact CA-O 3.4Å; Q235-D240 WeakPolarHBondContact CB-O 3.38Å; Q235-D240 VanDerWaalsContact CG-O 3.32Å; Q235-D240 WeakPolarHBondContact CG-O 3.39Å; Q235-D240 PolarHBondContact O-N 3.35Å; Q235-F243 HydrophobicContact CG-CB 3.91Å; Q235-F243 HydrophobicContact CG-CD1 4.24Å; Q235-F243 PolarHBondContact NE2-O 2.87Å
236	D	94.6	Very high	97.1	Very high	60 Å²	60	31.8 Å²	31.8	32%	0.321	17%	0.169	S	C	.	.	H	α-helix	trans	-66.8	-40.6	179.1	-68.9	-30.5	0	0	0	110.9	R111 R232 M234 Q239	R111-D236 IonicContact CZ-OD2 3.62Å; R111-D236 IonicContact NE-OD2 3.58Å; R111-D236 IonicContact NH1-OD2 3.75Å; R111-D236 PolarHBondContact NH1-OD2 2.87Å; R111-D236 IonicContact NH2-OD2 3.78Å; R232-D236 IonicContact CZ-OD1 3.53Å; R232-D236 IonicContact CZ-OD2 3.97Å; R232-D236 IonicContact NE-OD1 3.4Å; R232-D236 PolarHBondContact NE-OD1 3.32Å; R232-D236 IonicContact NE-OD2 3.19Å; R232-D236 PolarHBondContact NE-OD2 3.45Å; R232-D236 IonicContact NH2-OD1 3.04Å; R232-D236 PolarHBondContact NH2-OD1 3.35Å; R232-D236 IonicContact NH2-OD2 3.83Å; R232-D236 PolarHBondContact O-N 2.97Å; M234-D236 VanDerWaalsContact C-N 3.34Å; M234-D236 PolarHBondContact O-N 3.15Å; D236-Q239 PolarHBondContact O-N 3.01Å
237	M	97.8	Very high	97.1	Very high	33 Å²	33	32.1 Å²	32.1	16%	0.163	17%	0.17	C	C	.	.	H	α-helix	trans	-63.1	-41.8	175.6	177.2	-171	73.2	0	0	112.9	A146 Q149 A150 T153 D233 M234 Q239	A146-M237 WeakPolarHBondContact O-CE 3.32Å; Q149-M237 HydrophobicContact CB-CE 3.87Å; Q149-M237 HydrophobicContact CB-SD 4.12Å; Q149-M237 HydrophobicContact CG-CE 3.93Å; Q149-M237 HydrophobicContact CG-CG 4.39Å; Q149-M237 HydrophobicContact CG-SD 3.7Å; A150-M237 VanDerWaalsContact CA-SD 3.58Å; A150-M237 HydrophobicContact CB-CE 4.04Å; A150-M237 HydrophobicContact CB-SD 4.13Å; T153-M237 HydrophobicContact CG2-CG 4.28Å; T153-M237 HydrophobicContact CG2-SD 4.33Å; D233-M237 WeakPolarHBondContact O-CB 3.34Å; D233-M237 PolarHBondContact O-N 2.99Å; M234-M237 HydrophobicContact CG-CE 4.44Å; M234-M237 PolarHBondContact O-N 2.85Å; M237-Q239 VanDerWaalsContact C-N 3.32Å
238	L	97.8	Very high	97.1	Very high	56 Å²	56	32.2 Å²	32.2	29%	0.293	17%	0.171	S	C	.	.	H	α-helix	trans	-82.4	-12.7	-179.1	-65.2	171.5	0	0	0	112.6	A146 M234 Q235 D240 F243	A146-L238 HydrophobicContact CB-CD1 3.9Å; A146-L238 HydrophobicContact CB-CD2 4.17Å; M234-L238 VanDerWaalsContact O-CB 3.27Å; M234-L238 WeakPolarHBondContact O-CB 3.08Å; M234-L238 WeakPolarHBondContact O-CG 3.38Å; M234-L238 PolarHBondContact O-N 3.1Å; Q235-L238 PolarHBondContact O-N 3.35Å; L238-D240 HydrophobicContact CB-CB 4.14Å; L238-D240 PolarHBondContact O-N 3.19Å; L238-F243 HydrophobicContact CD1-CB 4.24Å; L238-F243 HydrophobicContact CD1-CD1 4.35Å; L238-F243 HydrophobicContact CD1-CD2 3.55Å; L238-F243 HydrophobicContact CD1-CE2 3.96Å; L238-F243 HydrophobicContact CD1-CG 3.78Å
239	Q	95.4	Very high	97.1	Very high	179 Å²	179	33.7 Å²	33.7	84%	0.836	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	33.3	-167.6	-55.1	-178.4	-3.9	0	0	112.3	Q235 D236 M237	Q235-Q239 WeakPolarHBondContact O-CA 3.44Å; Q235-Q239 PolarHBondContact O-N 3.48Å; D236-Q239 PolarHBondContact O-N 3.01Å; M237-Q239 VanDerWaalsContact C-N 3.32Å
240	D	94.8	Very high	97.1	Very high	59 Å²	59	32.4 Å²	32.4	32%	0.316	17%	0.173	S	C	.	.			trans	-125	97.2	179.7	178.8	5.3	0	0	0	108.9	Q235 L238 S242 F243	Q235-D240 WeakPolarHBondContact CA-O 3.4Å; Q235-D240 WeakPolarHBondContact CB-O 3.38Å; Q235-D240 VanDerWaalsContact CG-O 3.32Å; Q235-D240 WeakPolarHBondContact CG-O 3.39Å; Q235-D240 PolarHBondContact O-N 3.35Å; L238-D240 HydrophobicContact CB-CB 4.14Å; L238-D240 PolarHBondContact O-N 3.19Å; D240-S242 PolarHBondContact O-N 3.37Å; D240-S242 WeakPolarHBondContact OD1-CA 3.3Å; D240-S242 WeakPolarHBondContact OD1-CB 3.34Å; D240-S242 PolarHBondContact OD1-N 2.74Å; D240-S242 PolarHBondContact OD1-OG 2.87Å; D240-F243 HydrophobicContact CB-CB 4.35Å; D240-F243 WeakPolarHBondContact O-CB 3.25Å; D240-F243 PolarHBondContact O-N 2.92Å; D240-F243 PolarHBondContact OD1-N 3.25Å
241	P	92.6	Very high	97	Very high	59 Å²	59	32.3 Å²	32.3	38%	0.383	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-4.4	-178.8	35.1	-38.9	0	0	0	113.2	I125	I125-P241 HydrophobicContact CD1-CB 3.42Å; I125-P241 VanDerWaalsContact CD1-CB 3.42Å; I125-P241 HydrophobicContact CD1-CG 3.54Å
242	S	93.4	Very high	96.9	Very high	64 Å²	64	35.5 Å²	35.5	45%	0.448	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-8.6	174.1	72.6	0	0	0	0	113.6	D240 A244	D240-S242 PolarHBondContact O-N 3.37Å; D240-S242 WeakPolarHBondContact OD1-CA 3.3Å; D240-S242 WeakPolarHBondContact OD1-CB 3.34Å; D240-S242 PolarHBondContact OD1-N 2.74Å; D240-S242 PolarHBondContact OD1-OG 2.87Å; S242-A244 PolarHBondContact O-N 3.07Å
243	F	97.1	Very high	96.9	Very high	23 Å²	23	33.5 Å²	33.5	10%	0.101	18%	0.183	C	C	.	.			trans	-54	131.4	175.7	173.4	-93.8	0	0	0	110.6	F143 A146 E231 M234 Q235 L238 D240 L245	F143-F243 HydrophobicContact CD2-CE2 4.43Å; F143-F243 HydrophobicContact CD2-CZ 4.26Å; A146-F243 HydrophobicContact CB-CE2 4.14Å; A146-F243 HydrophobicContact CB-CZ 4.47Å; E231-F243 HydrophobicContact CG-CD1 4.45Å; M234-F243 HydrophobicContact CB-CD1 3.95Å; M234-F243 HydrophobicContact CB-CE1 3.64Å; M234-F243 HydrophobicContact CB-CZ 4.39Å; M234-F243 HydrophobicContact CE-CE1 3.78Å; M234-F243 HydrophobicContact CE-CE2 4.27Å; M234-F243 HydrophobicContact CE-CZ 3.4Å; M234-F243 HydrophobicContact CG-CE1 4.39Å; M234-F243 HydrophobicContact SD-CE1 3.93Å; M234-F243 HydrophobicContact SD-CZ 4.11Å; Q235-F243 HydrophobicContact CG-CB 3.91Å; Q235-F243 HydrophobicContact CG-CD1 4.24Å; Q235-F243 PolarHBondContact NE2-O 2.87Å; L238-F243 HydrophobicContact CD1-CB 4.24Å; L238-F243 HydrophobicContact CD1-CD1 4.35Å; L238-F243 HydrophobicContact CD1-CD2 3.55Å; L238-F243 HydrophobicContact CD1-CE2 3.96Å; L238-F243 HydrophobicContact CD1-CG 3.78Å; D240-F243 HydrophobicContact CB-CB 4.35Å; D240-F243 WeakPolarHBondContact O-CB 3.25Å; D240-F243 PolarHBondContact O-N 2.92Å; D240-F243 PolarHBondContact OD1-N 3.25Å; F243-L245 HydrophobicContact CE1-CD2 3.77Å; F243-L245 HydrophobicContact CE1-CG 4.39Å; F243-L245 HydrophobicContact CZ-CD2 4Å
244	A	98	Very high	96.8	Very high	21 Å²	21	34.5 Å²	34.5	17%	0.174	19%	0.194	C	C	.	.			trans	-129.6	138.9	-179.3	0	0	0	0	0	110.1	V127 V128 R129 E231 S242 P246	V127-A244 HydrophobicContact CG1-CB 3.54Å; V128-A244 WeakPolarHBondContact O-CB 3.19Å; R129-A244 HydrophobicContact CG-CB 4.34Å; E231-A244 WeakPolarHBondContact OE1-CA 3.33Å; S242-A244 PolarHBondContact O-N 3.07Å; A244-P246 WeakPolarHBondContact O-CD 3.4Å
245	L	98.8	Very high	96.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.219	C	C	.	.			trans	-71.5	120.2	172.3	-64.7	176.5	0	0	0	109.4	R129 F143 L227 L230 E231 M234 F243 V400 T404	R129-L245 WeakPolarHBondContact CB-O 3.43Å; R129-L245 WeakPolarHBondContact CD-O 3.42Å; R129-L245 WeakPolarHBondContact CG-O 3.47Å; F143-L245 HydrophobicContact CE2-CD2 4.32Å; L227-L245 HydrophobicContact CB-CD1 4.35Å; L227-L245 HydrophobicContact CD2-CD1 4.15Å; L227-L245 WeakPolarHBondContact O-CD1 3.34Å; L230-L245 HydrophobicContact CD2-CD1 4.34Å; L230-L245 HydrophobicContact CG-CD1 4.49Å; E231-L245 HydrophobicContact CB-CD1 3.77Å; E231-L245 HydrophobicContact CB-CG 3.84Å; E231-L245 HydrophobicContact CG-CD1 4.43Å; E231-L245 HydrophobicContact CG-CG 4Å; E231-L245 PolarHBondContact OE1-N 3.3Å; M234-L245 HydrophobicContact SD-CD2 3.97Å; F243-L245 HydrophobicContact CE1-CD2 3.77Å; F243-L245 HydrophobicContact CE1-CG 4.39Å; F243-L245 HydrophobicContact CZ-CD2 4Å; L245-V400 HydrophobicContact CB-CG1 4.43Å; L245-V400 HydrophobicContact CD1-CG1 4.04Å; L245-V400 HydrophobicContact CD2-CG1 3.89Å; L245-V400 HydrophobicContact CG-CG1 4.35Å; L245-T404 HydrophobicContact CB-CG2 3.77Å; L245-T404 HydrophobicContact CD1-CG2 4.4Å
246	P	98.8	Very high	96.7	Very high	6 Å²	6	43 Å²	43	4%	0.039	24%	0.243	C	C	.	.			trans	-71.7	172.9	173.4	30.5	-31.5	0	0	0	111	R130 V132 L135 F143 A244 L401 T404	R130-P246 CarbonylContact O-C 3.55Å; R130-P246 WeakPolarHBondContact O-CA 3.2Å; R130-P246 VanDerWaalsContact O-CB 3.25Å; R130-P246 WeakPolarHBondContact O-CB 3.38Å; V132-P246 HydrophobicContact CB-CB 4.01Å; V132-P246 HydrophobicContact CB-CG 4.35Å; V132-P246 HydrophobicContact CG2-CB 4.25Å; V132-P246 HydrophobicContact CG2-CG 4.11Å; L135-P246 HydrophobicContact CD1-CB 3.97Å; L135-P246 HydrophobicContact CD1-CG 4.15Å; F143-P246 HydrophobicContact CD1-CG 3.93Å; F143-P246 HydrophobicContact CD2-CG 3.8Å; F143-P246 HydrophobicContact CE1-CG 3.88Å; F143-P246 HydrophobicContact CE2-CG 3.77Å; F143-P246 HydrophobicContact CG-CG 3.88Å; F143-P246 HydrophobicContact CZ-CG 3.78Å; A244-P246 WeakPolarHBondContact O-CD 3.4Å; P246-L401 HydrophobicContact CB-CD2 4.25Å; P246-L401 HydrophobicContact CG-CD2 3.75Å; P246-L401 WeakPolarHBondContact O-CD2 3.3Å; P246-T404 PolarHBondContact O-OG1 3.4Å
247	Y	98.9	Very high	96.9	Very high	9 Å²	9	41.1 Å²	41.1	4%	0.035	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-125.2	155.7	178	72	-97.5	0	0	0	112.9	R130 N131 V132 N249 T404 F405 Y463 E464 A465	R130-Y247 WeakPolarHBondContact O-CD1 3.32Å; R130-Y247 PolarHBondContact O-N 2.6Å; N131-Y247 HydrophobicContact CB-CE1 4.18Å; N131-Y247 HydrophobicContact CB-CE2 3.83Å; V132-Y247 WeakPolarHBondContact CB-O 2.99Å; V132-Y247 WeakPolarHBondContact CG1-O 3.33Å; V132-Y247 PolarHBondContact N-O 3.41Å; Y247-N249 HydrophobicContact CE2-CB 4.37Å; Y247-T404 WeakPolarHBondContact CA-OG1 3.33Å; Y247-T404 WeakPolarHBondContact CB-OG1 3.47Å; Y247-F405 HydrophobicContact CD2-CB 4.16Å; Y247-F405 AromaticContact CD2-CD2 3.46Å; Y247-F405 HydrophobicContact CD2-CD2 3.46Å; Y247-F405 VanDerWaalsContact CD2-CD2 3.46Å; Y247-F405 HydrophobicContact CD2-CE2 4.25Å; Y247-F405 HydrophobicContact CD2-CG 4.15Å; Y247-F405 AromaticContact CE2-CD2 3.77Å; Y247-F405 HydrophobicContact CE2-CD2 3.77Å; Y247-F405 HydrophobicContact CE2-CE2 4.11Å; Y247-F405 HydrophobicContact CG-CD2 4.31Å; Y247-Y463 AromaticContact CD1-CD1 3.85Å; Y247-Y463 HydrophobicContact CD1-CD1 3.85Å; Y247-Y463 HydrophobicContact CD1-CE1 4.19Å; Y247-Y463 HydrophobicContact CE1-CD1 4.23Å; Y247-E464 PolarHBondContact OH-O 2.9Å; Y247-A465 HydrophobicContact CE1-CB 4.22Å; Y247-A465 WeakPolarHBondContact OH-CA 3.24Å
248	W	98.8	Very high	96.9	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	24%	0.238	C	C	.	.			trans	-108.1	113.5	171.8	168.7	42	0	0	0	109.7	V132 F250 D258 I259 L326 I398 L401 L402 F405	V132-W248 HydrophobicContact CG1-CB 4.47Å; W248-F250 VanDerWaalsContact C-N 3.29Å; W248-F250 HydrophobicContact CD2-CB 3.81Å; W248-F250 HydrophobicContact CE3-CB 3.91Å; W248-F250 HydrophobicContact CH2-CB 3.88Å; W248-F250 HydrophobicContact CZ2-CB 3.78Å; W248-F250 HydrophobicContact CZ3-CB 3.94Å; W248-F250 PolarHBondContact O-N 3.04Å; W248-D258 PolarHBondContact NE1-OD1 2.91Å; W248-I259 HydrophobicContact CB-CD1 3.94Å; W248-I259 HydrophobicContact CB-CG2 4.45Å; W248-I259 VanDerWaalsContact CD1-CG2 3.49Å; W248-I259 HydrophobicContact CD2-CD1 3.41Å; W248-I259 VanDerWaalsContact CD2-CD1 3.41Å; W248-I259 HydrophobicContact CD2-CG1 4Å; W248-I259 HydrophobicContact CE3-CD1 3.66Å; W248-I259 HydrophobicContact CG-CD1 3.56Å; W248-I259 HydrophobicContact CG-CG1 4.16Å; W248-I259 HydrophobicContact CG-CG2 3.99Å; W248-I259 HydrophobicContact CZ2-CG1 4.4Å; W248-I259 HydrophobicContact CZ3-CD1 4.31Å; W248-L326 HydrophobicContact CH2-CD1 4.36Å; W248-L326 HydrophobicContact CH2-CD2 3.99Å; W248-L326 HydrophobicContact CZ2-CD1 3.8Å; W248-L326 HydrophobicContact CZ2-CD2 4.23Å; W248-I398 HydrophobicContact CE3-CG2 3.71Å; W248-I398 HydrophobicContact CZ3-CG2 3.54Å; W248-L401 HydrophobicContact CB-CB 3.62Å; W248-L401 PolarHBondContact N-O 2.96Å; W248-L402 HydrophobicContact CE3-CB 4.41Å; W248-F405 WeakPolarHBondContact O-CB 3.14Å; W248-F405 WeakPolarHBondContact O-CD1 3.15Å; W248-F405 VanDerWaalsContact O-CG 3.29Å; W248-F405 WeakPolarHBondContact O-CG 3.25Å
249	N	98.3	Very high	96.9	Very high	49 Å²	49	39.1 Å²	39.1	26%	0.262	22%	0.224	S	C	.	.			trans	-69	91.7	166.9	179.8	8.2	0	0	0	109.1	Y247 A251 I252 F405	Y247-N249 HydrophobicContact CE2-CB 4.37Å; N249-A251 PolarHBondContact O-N 3.49Å; N249-A251 PolarHBondContact OD1-N 2.93Å; N249-I252 WeakPolarHBondContact O-CG2 3.38Å; N249-F405 HydrophobicContact CB-CD2 4.48Å; N249-F405 HydrophobicContact CB-CE1 4.44Å; N249-F405 HydrophobicContact CB-CE2 4.08Å; N249-F405 HydrophobicContact CB-CZ 4.06Å; N249-F405 WeakPolarHBondContact OD1-CE1 3.38Å; N249-F405 WeakPolarHBondContact OD1-CZ 3.21Å
250	F	98.3	Very high	97.1	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	19%	0.191	C	C	.	.			trans	-77.1	-9.5	176.2	58.1	-113.7	0	0	0	113	W248 I252 L326 P327 A379 L402 F405	W248-F250 VanDerWaalsContact C-N 3.29Å; W248-F250 HydrophobicContact CD2-CB 3.81Å; W248-F250 HydrophobicContact CE3-CB 3.91Å; W248-F250 HydrophobicContact CH2-CB 3.88Å; W248-F250 HydrophobicContact CZ2-CB 3.78Å; W248-F250 HydrophobicContact CZ3-CB 3.94Å; W248-F250 PolarHBondContact O-N 3.04Å; F250-I252 PolarHBondContact O-N 2.93Å; F250-L326 HydrophobicContact CB-CD2 4.3Å; F250-L326 WeakPolarHBondContact O-CB 3.25Å; F250-P327 HydrophobicContact CD2-CB 4.48Å; F250-P327 HydrophobicContact CD2-CG 3.8Å; F250-P327 HydrophobicContact CE2-CG 3.96Å; F250-A379 HydrophobicContact CB-CB 4.21Å; F250-A379 HydrophobicContact CD1-CB 3.95Å; F250-A379 HydrophobicContact CD2-CB 3.95Å; F250-A379 HydrophobicContact CE1-CB 4.27Å; F250-A379 HydrophobicContact CE2-CB 4.31Å; F250-A379 HydrophobicContact CG-CB 3.78Å; F250-A379 HydrophobicContact CZ-CB 4.45Å; F250-L402 HydrophobicContact CD1-CG 4Å; F250-L402 HydrophobicContact CE1-CD2 4.15Å; F250-L402 HydrophobicContact CE1-CG 4Å; F250-F405 HydrophobicContact CD1-CB 4.47Å; F250-F405 AromaticContact CD1-CD1 3.75Å; F250-F405 HydrophobicContact CD1-CD1 3.75Å; F250-F405 HydrophobicContact CD2-CD1 4.37Å; F250-F405 HydrophobicContact CD2-CE1 4.48Å; F250-F405 HydrophobicContact CE1-CB 4.29Å; F250-F405 AromaticContact CE1-CD1 3.6Å; F250-F405 HydrophobicContact CE1-CD1 3.6Å; F250-F405 HydrophobicContact CE1-CE1 4.5Å; F250-F405 HydrophobicContact CE1-CG 4.44Å; F250-F405 HydrophobicContact CE2-CD1 4.22Å; F250-F405 HydrophobicContact CE2-CE1 4.36Å; F250-F405 HydrophobicContact CG-CD1 4.14Å; F250-F405 AromaticContact CZ-CD1 3.84Å; F250-F405 HydrophobicContact CZ-CD1 3.84Å; F250-F405 HydrophobicContact CZ-CE1 4.37Å
251	A	97.8	Very high	97.2	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.017	19%	0.191	C	C	.	.			trans	-85.2	57.7	-177.4	0	0	0	0	0	111.5	N249 P327 P329 V332 F405	N249-A251 PolarHBondContact O-N 3.49Å; N249-A251 PolarHBondContact OD1-N 2.93Å; A251-P327 CarbonylContact C-O 3.46Å; A251-P327 VanDerWaalsContact C-O 3.25Å; A251-P327 VanDerWaalsContact CA-O 3.25Å; A251-P327 WeakPolarHBondContact CA-O 3.35Å; A251-P327 HydrophobicContact CB-CB 4.43Å; A251-P329 WeakPolarHBondContact O-CA 3.35Å; A251-P329 WeakPolarHBondContact O-CD 3.27Å; A251-P329 VanDerWaalsContact O-CG 3.24Å; A251-P329 WeakPolarHBondContact O-CG 3.47Å; A251-V332 HydrophobicContact CB-CG2 3.43Å; A251-V332 VanDerWaalsContact CB-CG2 3.43Å; A251-F405 HydrophobicContact CB-CE1 4.14Å
252	I	96.4	Very high	97.5	Very high	66 Å²	66	31.1 Å²	31.1	34%	0.338	19%	0.187	S	C	.	.	S	Bend	trans	-110.1	-3.9	-176.4	57.1	166.5	0	0	0	113.4	N249 F250 D258 L326 P327	N249-I252 WeakPolarHBondContact O-CG2 3.38Å; F250-I252 PolarHBondContact O-N 2.93Å; I252-D258 HydrophobicContact CD1-CB 4.08Å; I252-L326 HydrophobicContact CD1-CD1 4.08Å; I252-L326 HydrophobicContact CG1-CD1 3.87Å; I252-P327 PolarHBondContact N-O 3.13Å
253	G	95.7	Very high	97.7	Very high	4 Å²	4	32.4 Å²	32.4	4%	0.041	19%	0.189	C	C	.	.			trans	64.2	-172.7	-170.8	0	0	0	0	0	113	P327 E328	G253-P327 WeakPolarHBondContact CA-O 3.47Å; G253-P327 PolarHBondContact N-O 2.77Å; G253-E328 WeakPolarHBondContact CA-OE2 3.44Å
254	G	95.8	Very high	97.7	Very high	26 Å²	26	31.4 Å²	31.4	27%	0.268	19%	0.185	S	C	.	.	S	Bend	trans	72.2	-171.3	176.2	0	0	0	0	0	114.3	R325 L326	G254-R325 CarbonylContact O-C 3.06Å; G254-R325 WeakPolarHBondContact O-CA 3.21Å; G254-R325 WeakPolarHBondContact O-CB 3.47Å; G254-L326 PolarHBondContact O-N 2.99Å
255	N	96.1	Very high	97.7	Very high	99 Å²	99	30.4 Å²	30.4	53%	0.529	18%	0.177	S	C	.	.	S	Bend	trans	-121.6	15.9	-168.4	65.7	-11	0	0	0	113.7	A315 Q324 R325	N255-A315 HydrophobicContact CB-CB 4.15Å; N255-A315 WeakPolarHBondContact O-CB 3.49Å; N255-Q324 WeakPolarHBondContact CB-O 3.36Å; N255-R325 HydrophobicContact CB-CG 4.45Å
256	T	95.6	Very high	97.7	Very high	87 Å²	87	30.4 Å²	30.4	53%	0.534	18%	0.177	S	C	.	.			trans	-112.8	136.5	-177.8	52	0	0	0	0	110.7	D258	T256-D258 PolarHBondContact O-N 2.76Å
257	C	98.1	Very high	97.7	Very high	19 Å²	19	31.3 Å²	31.3	13%	0.128	19%	0.185	C	C	.	.			trans	-84.4	104	165.8	175.9	0	0	0	0	108.5	I259 C260 P314 F382	C257-I259 VanDerWaalsContact C-N 3.32Å; C257-I259 PolarHBondContact O-N 3.4Å; C257-C260 HydrophobicContact CB-CB 3.6Å; C257-C260 WeakPolarHBondContact CB-SG 3.23Å; C257-C260 PolarHBondContact O-N 3.38Å; C257-C260 WeakPolarHBondContact SG-CB 3.23Å; C257-C260 PolarHBondContact SG-N 3.17Å; C257-C260 CovalentContact SG-SG 2.04Å; C257-C260 PolarHBondContact SG-SG 2.86Å; C257-P314 HydrophobicContact CB-CB 3.85Å; C257-P314 HydrophobicContact CB-CG 3.92Å; C257-F382 HydrophobicContact CB-CE1 4.06Å
258	D	98	Very high	97.7	Very high	47 Å²	47	36.5 Å²	36.5	25%	0.251	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-21.7	-176.3	62.6	-27.4	0	0	0	113.8	M133 W248 I252 T256	M133-D258 HydrophobicContact CE-CB 4.32Å; W248-D258 PolarHBondContact NE1-OD1 2.91Å; I252-D258 HydrophobicContact CD1-CB 4.08Å; T256-D258 PolarHBondContact O-N 2.76Å
259	I	98.6	Very high	97.7	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-5.9	174	60.7	165	0	0	0	114.1	V132 M133 W248 C257 T261 L264 M265 I398 L401	V132-I259 HydrophobicContact CG1-CG2 3.71Å; M133-I259 HydrophobicContact CG-CG2 4.14Å; M133-I259 HydrophobicContact SD-CG2 3.7Å; W248-I259 HydrophobicContact CB-CD1 3.94Å; W248-I259 HydrophobicContact CB-CG2 4.45Å; W248-I259 VanDerWaalsContact CD1-CG2 3.49Å; W248-I259 HydrophobicContact CD2-CD1 3.41Å; W248-I259 VanDerWaalsContact CD2-CD1 3.41Å; W248-I259 HydrophobicContact CD2-CG1 4Å; W248-I259 HydrophobicContact CE3-CD1 3.66Å; W248-I259 HydrophobicContact CG-CD1 3.56Å; W248-I259 HydrophobicContact CG-CG1 4.16Å; W248-I259 HydrophobicContact CG-CG2 3.99Å; W248-I259 HydrophobicContact CZ2-CG1 4.4Å; W248-I259 HydrophobicContact CZ3-CD1 4.31Å; C257-I259 VanDerWaalsContact C-N 3.32Å; C257-I259 PolarHBondContact O-N 3.4Å; I259-T261 VanDerWaalsContact C-N 3.25Å; I259-T261 PolarHBondContact O-N 3.15Å; I259-L264 HydrophobicContact CB-CD2 3.75Å; I259-L264 HydrophobicContact CG2-CD2 3.87Å; I259-M265 HydrophobicContact CB-CG 4.23Å; I259-M265 HydrophobicContact CD1-CG 3.95Å; I259-M265 HydrophobicContact CG1-CG 4.31Å; I259-M265 WeakPolarHBondContact O-CB 3.4Å; I259-M265 PolarHBondContact O-N 3.26Å; I259-M265 VanDerWaalsContact O-N 3.16Å; I259-I398 HydrophobicContact CD1-CD1 4.12Å; I259-I398 HydrophobicContact CD1-CG1 3.97Å; I259-I398 HydrophobicContact CD1-CG2 4.1Å; I259-I398 HydrophobicContact CG1-CD1 4.48Å; I259-L401 HydrophobicContact CD1-CD1 3.83Å
260	C	98.6	Very high	97.6	Very high	22 Å²	22	39.9 Å²	39.9	15%	0.149	23%	0.232	C	C	.	.			trans	-84.1	67.1	-178.9	-67.1	0	0	0	0	111	C257 G266 A267	C257-C260 HydrophobicContact CB-CB 3.6Å; C257-C260 WeakPolarHBondContact CB-SG 3.23Å; C257-C260 PolarHBondContact O-N 3.38Å; C257-C260 WeakPolarHBondContact SG-CB 3.23Å; C257-C260 PolarHBondContact SG-N 3.17Å; C257-C260 CovalentContact SG-SG 2.04Å; C257-C260 PolarHBondContact SG-SG 2.86Å; C260-G266 CarbonylContact C-O 3.31Å; C260-G266 WeakPolarHBondContact CA-O 3.48Å; C260-A267 VanDerWaalsContact O-CA 3.32Å; C260-A267 WeakPolarHBondContact O-CA 3.37Å
261	T	98.6	Very high	97.5	Very high	51 Å²	51	48.2 Å²	48.2	31%	0.313	27%	0.269	S	S	.	.	S	Bend	trans	-127.3	155.8	177.7	60.1	0	0	0	0	110.5	I259 D263 L264 M265 G266	I259-T261 VanDerWaalsContact C-N 3.25Å; I259-T261 PolarHBondContact O-N 3.15Å; T261-D263 VanDerWaalsContact C-N 3.25Å; T261-D263 WeakPolarHBondContact CB-OD1 3.31Å; T261-D263 PolarHBondContact O-N 2.98Å; T261-D263 PolarHBondContact OG1-OD1 2.94Å; T261-L264 CarbonylContact O-C 3.47Å; T261-L264 VanDerWaalsContact O-C 3.3Å; T261-L264 PolarHBondContact O-N 3.23Å; T261-M265 PolarHBondContact O-N 3.01Å; T261-G266 VanDerWaalsContact O-CA 3.31Å; T261-G266 WeakPolarHBondContact O-CA 3.49Å; T261-G266 PolarHBondContact O-N 3.11Å
262	D	98.4	Very high	97.5	Very high	56 Å²	56	50.7 Å²	50.7	30%	0.299	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.7	-174.4	-73.7	-17.7	0	0	0	114.2	L264 A267 S277 N279	D262-L264 VanDerWaalsContact C-N 3.27Å; D262-A267 VanDerWaalsContact OD1-CB 3.29Å; D262-A267 WeakPolarHBondContact OD1-CB 3.46Å; D262-A267 PolarHBondContact OD1-N 3.36Å; D262-S277 WeakPolarHBondContact OD1-CB 3.37Å; D262-S277 PolarHBondContact OD1-OG 2.96Å; D262-S277 PolarHBondContact OD2-OG 3.37Å; D262-N279 HydrophobicContact CB-CB 4.29Å; D262-N279 WeakPolarHBondContact OD2-CB 3.44Å
263	D	96.6	Very high	97.5	Very high	92 Å²	92	51.9 Å²	51.9	49%	0.492	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-10.1	171.1	66.7	-54.1	0	0	0	113.5	T261	T261-D263 VanDerWaalsContact C-N 3.25Å; T261-D263 WeakPolarHBondContact CB-OD1 3.31Å; T261-D263 PolarHBondContact O-N 2.98Å; T261-D263 PolarHBondContact OG1-OD1 2.94Å
264	L	97.9	Very high	97.6	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-109.2	-179.4	-160.1	70.2	0	0	0	111.1	V132 M133 K140 V144 I259 T261 D262 G266 F282	V132-L264 HydrophobicContact CG1-CD2 4Å; V132-L264 HydrophobicContact CG2-CD1 3.61Å; V132-L264 HydrophobicContact CG2-CD2 3.72Å; V132-L264 HydrophobicContact CG2-CG 4.19Å; M133-L264 HydrophobicContact SD-CD2 4.48Å; K140-L264 HydrophobicContact CB-CD1 3.94Å; K140-L264 HydrophobicContact CD-CD1 4.24Å; K140-L264 HydrophobicContact CG-CD1 3.9Å; V144-L264 HydrophobicContact CG2-CD1 4.31Å; V144-L264 WeakPolarHBondContact CG2-O 3.4Å; I259-L264 HydrophobicContact CB-CD2 3.75Å; I259-L264 HydrophobicContact CG2-CD2 3.87Å; T261-L264 CarbonylContact O-C 3.47Å; T261-L264 VanDerWaalsContact O-C 3.3Å; T261-L264 PolarHBondContact O-N 3.23Å; D262-L264 VanDerWaalsContact C-N 3.27Å; L264-G266 VanDerWaalsContact C-N 3.31Å; L264-G266 PolarHBondContact O-N 3.22Å; L264-F282 VanDerWaalsContact O-CE2 3.28Å; L264-F282 WeakPolarHBondContact O-CE2 3.49Å
265	M	98.6	Very high	97.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	4.2	-168.3	-51.8	-46.6	-75.8	0	0	115	F143 L147 I259 T261 F282 R312 P397 I398 L401	F143-M265 HydrophobicContact CE1-SD 4.26Å; L147-M265 HydrophobicContact CD1-CE 4.21Å; I259-M265 HydrophobicContact CB-CG 4.23Å; I259-M265 HydrophobicContact CD1-CG 3.95Å; I259-M265 HydrophobicContact CG1-CG 4.31Å; I259-M265 WeakPolarHBondContact O-CB 3.4Å; I259-M265 PolarHBondContact O-N 3.26Å; I259-M265 VanDerWaalsContact O-N 3.16Å; T261-M265 PolarHBondContact O-N 3.01Å; M265-F282 HydrophobicContact CE-CE2 4.18Å; M265-F282 HydrophobicContact CE-CZ 4.35Å; M265-F282 HydrophobicContact SD-CE2 4.16Å; M265-R312 PolarHBondContact O-NH1 3.25Å; M265-P397 HydrophobicContact CE-CB 3.66Å; M265-P397 HydrophobicContact CE-CG 3.89Å; M265-P397 VanDerWaalsContact CE-O 3.28Å; M265-P397 WeakPolarHBondContact CE-O 3.26Å; M265-I398 HydrophobicContact CB-CD1 4.24Å; M265-I398 HydrophobicContact CB-CG1 3.86Å; M265-I398 HydrophobicContact CE-CG1 4.41Å; M265-I398 HydrophobicContact CG-CG1 4.07Å; M265-L401 HydrophobicContact CE-CD1 3.76Å; M265-L401 HydrophobicContact CE-CG 4.46Å; M265-L401 HydrophobicContact CG-CD1 3.69Å; M265-L401 HydrophobicContact SD-CD1 3.56Å; M265-L401 VanDerWaalsContact SD-CD1 3.56Å
266	G	98.5	Very high	97.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.273	C	S	.	.			trans	92.5	127.6	-179.1	0	0	0	0	0	112.9	C260 T261 L264 S280	C260-G266 CarbonylContact C-O 3.31Å; C260-G266 WeakPolarHBondContact CA-O 3.48Å; T261-G266 VanDerWaalsContact O-CA 3.31Å; T261-G266 WeakPolarHBondContact O-CA 3.49Å; T261-G266 PolarHBondContact O-N 3.11Å; L264-G266 VanDerWaalsContact C-N 3.31Å; L264-G266 PolarHBondContact O-N 3.22Å; G266-S280 VanDerWaalsContact CA-CB 3.43Å; G266-S280 VanDerWaalsContact CA-OG 3.25Å; G266-S280 WeakPolarHBondContact CA-OG 3.06Å
267	A	98.5	Very high	98	Very high	25 Å²	25	46.6 Å²	46.6	21%	0.207	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-73.3	169.6	173.6	0	0	0	0	0	111.4	C260 D262 L276 S277	C260-A267 VanDerWaalsContact O-CA 3.32Å; C260-A267 WeakPolarHBondContact O-CA 3.37Å; D262-A267 VanDerWaalsContact OD1-CB 3.29Å; D262-A267 WeakPolarHBondContact OD1-CB 3.46Å; D262-A267 PolarHBondContact OD1-N 3.36Å; A267-L276 CarbonylContact O-C 3.46Å; A267-L276 WeakPolarHBondContact O-CA 3.36Å; A267-S277 WeakPolarHBondContact O-CB 3.48Å; A267-S277 PolarHBondContact O-N 3.19Å
268	R	98.4	Very high	98	Very high	118 Å²	118	49.4 Å²	49.4	45%	0.445	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-69.1	137.3	170.7	-175.8	-179	-68.3	-178.4	1.5	110.3	N313 P314	R268-N313 VanDerWaalsContact CZ-OD1 3.31Å; R268-N313 PolarHBondContact NH2-OD1 3.27Å; R268-P314 PolarHBondContact NH2-O 2.98Å
269	S	98.2	Very high	98	Very high	11 Å²	11	53.5 Å²	53.5	8%	0.077	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-67.4	140.4	173.6	179	0	0	0	0	111.8	F271 D272 S275 L276	S269-F271 VanDerWaalsContact C-N 3.26Å; S269-F271 PolarHBondContact OG-N 2.96Å; S269-F271 VanDerWaalsContact OG-N 3.12Å; S269-D272 WeakPolarHBondContact CB-O 3.38Å; S269-S275 WeakPolarHBondContact CB-O 3.38Å; S269-S275 PolarHBondContact N-O 3.09Å; S269-L276 WeakPolarHBondContact CB-O 3.28Å
270	S	97.2	Very high	98	Very high	111 Å²	111	53.7 Å²	53.7	78%	0.776	29%	0.293	S	S	*	.	S	Bend	trans	-75.4	-15	170.8	54.8	0	0	0	0	113.1
271	F	96.7	Very high	98	Very high	176 Å²	176	54.8 Å²	54.8	77%	0.772	30%	0.297	S	S	*	.	S	Bend	trans	-95.6	-28.6	-177.3	-53.9	-69.8	0	0	0	113.3	S269 P278	S269-F271 VanDerWaalsContact C-N 3.26Å; S269-F271 PolarHBondContact OG-N 2.96Å; S269-F271 VanDerWaalsContact OG-N 3.12Å; F271-P278 HydrophobicContact CD2-CG 4.4Å; F271-P278 HydrophobicContact CE2-CG 4.43Å
272	D	97.5	Very high	98	Very high	53 Å²	53	52.3 Å²	52.3	28%	0.283	28%	0.282	S	S	.	.			trans	-148.2	118.1	177.9	172.3	10.1	0	0	0	109.6	S269 N274 S275 R311	S269-D272 WeakPolarHBondContact CB-O 3.38Å; D272-N274 PolarHBondContact O-N 3.39Å; D272-N274 VanDerWaalsContact O-N 3.11Å; D272-N274 PolarHBondContact OD1-N 2.8Å; D272-S275 PolarHBondContact O-N 3.31Å; D272-S275 PolarHBondContact OD2-OG 2.97Å; D272-R311 IonicContact OD2-NH1 2.67Å; D272-R311 PolarHBondContact OD2-NH1 3.25Å
273	I	96.7	Very high	98	Very high	91 Å²	91	51 Å²	51	47%	0.467	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.5	-175.9	-159.6	-179.4	0	0	0	113.4
274	N	97.9	Very high	98.1	Very high	61 Å²	61	51.9 Å²	51.9	33%	0.326	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	2.9	-179.9	-59.1	-52.3	0	0	0	113.1	D272 R311 R312 N313	D272-N274 PolarHBondContact O-N 3.39Å; D272-N274 VanDerWaalsContact O-N 3.11Å; D272-N274 PolarHBondContact OD1-N 2.8Å; N274-R311 CarbonylContact O-C 3.55Å; N274-R311 VanDerWaalsContact O-CA 3.26Å; N274-R311 WeakPolarHBondContact O-CA 3.46Å; N274-R312 CarbonylContact C-O 3.47Å; N274-R312 PolarHBondContact O-N 3.43Å; N274-N313 WeakPolarHBondContact OD1-CB 3.48Å; N274-N313 PolarHBondContact OD1-ND2 2.88Å
275	S	98.3	Very high	98.2	Very high	22 Å²	22	52.1 Å²	52.1	15%	0.154	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-112.8	156.3	-177.9	-69	0	0	0	0	111.7	S269 D272 R311	S269-S275 WeakPolarHBondContact CB-O 3.38Å; S269-S275 PolarHBondContact N-O 3.09Å; D272-S275 PolarHBondContact O-N 3.31Å; D272-S275 PolarHBondContact OD2-OG 2.97Å; S275-R311 PolarHBondContact OG-NH1 3.43Å
276	L	98.7	Very high	98.2	Very high	11 Å²	11	56.6 Å²	56.6	6%	0.058	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-77.2	148.3	172.7	-59.3	174.7	0	0	0	111	A267 S269 F282 I310 R312	A267-L276 CarbonylContact O-C 3.46Å; A267-L276 WeakPolarHBondContact O-CA 3.36Å; S269-L276 WeakPolarHBondContact CB-O 3.28Å; L276-F282 HydrophobicContact CD1-CB 3.77Å; L276-I310 HydrophobicContact CD1-CB 4.17Å; L276-I310 HydrophobicContact CD1-CD1 4.36Å; L276-I310 HydrophobicContact CD1-CG2 4.13Å; L276-R312 HydrophobicContact CD2-CB 4.1Å
277	S	98.6	Very high	98.2	Very high	11 Å²	11	56.6 Å²	56.6	8%	0.077	30%	0.296	C	S	.	.			trans	-53.8	131.4	173.5	172.4	0	0	0	0	110.4	D262 A267 N279 S280 S283	D262-S277 WeakPolarHBondContact OD1-CB 3.37Å; D262-S277 PolarHBondContact OD1-OG 2.96Å; D262-S277 PolarHBondContact OD2-OG 3.37Å; A267-S277 WeakPolarHBondContact O-CB 3.48Å; A267-S277 PolarHBondContact O-N 3.19Å; S277-N279 PolarHBondContact O-N 3.41Å; S277-N279 PolarHBondContact OG-N 2.95Å; S277-S280 PolarHBondContact O-N 3.38Å; S277-S283 WeakPolarHBondContact O-CB 3.29Å; S277-S283 PolarHBondContact O-OG 3.1Å
278	P	98.3	Very high	98.2	Very high	79 Å²	79	55.5 Å²	55.5	51%	0.513	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-14.9	176.2	-25.6	35.2	0	0	0	114.9	F271 S280 S283	F271-P278 HydrophobicContact CD2-CG 4.4Å; F271-P278 HydrophobicContact CE2-CG 4.43Å; P278-S280 VanDerWaalsContact C-N 3.29Å; P278-S283 WeakPolarHBondContact CA-OG 3.22Å
279	N	98.1	Very high	98.2	Very high	133 Å²	133	50 Å²	50	71%	0.711	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-14.9	176	-63.2	-26.5	0	0	0	112.8	D262 S277	D262-N279 HydrophobicContact CB-CB 4.29Å; D262-N279 WeakPolarHBondContact OD2-CB 3.44Å; S277-N279 PolarHBondContact O-N 3.41Å; S277-N279 PolarHBondContact OG-N 2.95Å
280	S	98.5	Very high	98.1	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.021	28%	0.278	C	S	.	.	S	Bend	trans	-91.1	135.2	173.4	-178.9	0	0	0	0	110.4	G266 S277 P278 F282 S283	G266-S280 VanDerWaalsContact CA-CB 3.43Å; G266-S280 VanDerWaalsContact CA-OG 3.25Å; G266-S280 WeakPolarHBondContact CA-OG 3.06Å; S277-S280 PolarHBondContact O-N 3.38Å; P278-S280 VanDerWaalsContact C-N 3.29Å; S280-F282 PolarHBondContact O-N 3.24Å; S280-F282 VanDerWaalsContact O-N 3.13Å; S280-F282 PolarHBondContact OG-N 2.87Å; S280-S283 WeakPolarHBondContact O-CB 3.32Å; S280-S283 PolarHBondContact O-N 3.47Å; S280-S283 PolarHBondContact O-OG 3.21Å
281	I	98.3	Very high	98.1	Very high	45 Å²	45	49.6 Å²	49.6	23%	0.231	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-60.1	-24.7	176.4	-160.9	156.5	0	0	0	112.9	V144 N148 S283 E284	V144-I281 HydrophobicContact CG1-CG2 3.77Å; N148-I281 HydrophobicContact CB-CD1 3.82Å; N148-I281 HydrophobicContact CB-CG1 4.24Å; N148-I281 HydrophobicContact CB-CG2 4.22Å; N148-I281 WeakPolarHBondContact ND2-CD1 3.09Å; N148-I281 WeakPolarHBondContact OD1-CG1 3.42Å; I281-S283 PolarHBondContact O-N 2.84Å; I281-E284 WeakPolarHBondContact O-CB 3.35Å; I281-E284 PolarHBondContact O-N 3.45Å; I281-E284 VanDerWaalsContact O-N 3.15Å
282	F	98.8	Very high	98	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-71.2	-15.9	178.1	-59.4	-54.1	0	0	0	113.1	V144 L147 L264 M265 L276 S280 E284 W285 P397	V144-F282 HydrophobicContact CG1-CE2 3.98Å; V144-F282 HydrophobicContact CG1-CZ 3.97Å; V144-F282 HydrophobicContact CG2-CE2 4.28Å; V144-F282 HydrophobicContact CG2-CZ 4.49Å; L147-F282 HydrophobicContact CB-CE1 4.16Å; L147-F282 HydrophobicContact CB-CZ 4.25Å; L147-F282 HydrophobicContact CD1-CE1 4.39Å; L147-F282 HydrophobicContact CD1-CZ 3.94Å; L264-F282 VanDerWaalsContact O-CE2 3.28Å; L264-F282 WeakPolarHBondContact O-CE2 3.49Å; M265-F282 HydrophobicContact CE-CE2 4.18Å; M265-F282 HydrophobicContact CE-CZ 4.35Å; M265-F282 HydrophobicContact SD-CE2 4.16Å; L276-F282 HydrophobicContact CD1-CB 3.77Å; S280-F282 PolarHBondContact O-N 3.24Å; S280-F282 VanDerWaalsContact O-N 3.13Å; S280-F282 PolarHBondContact OG-N 2.87Å; F282-E284 PolarHBondContact O-N 2.81Å; F282-W285 AromaticContact CD1-CD2 3.84Å; F282-W285 HydrophobicContact CD1-CD2 3.84Å; F282-W285 AromaticContact CD1-CE2 3.51Å; F282-W285 HydrophobicContact CD1-CE3 4.27Å; F282-W285 HydrophobicContact CD1-CG 4.34Å; F282-W285 HydrophobicContact CD1-CH2 4.14Å; F282-W285 AromaticContact CD1-CZ2 3.68Å; F282-W285 HydrophobicContact CD1-CZ2 3.68Å; F282-W285 HydrophobicContact CD1-CZ3 4.39Å; F282-W285 AromaticContact CD1-NE1 3.82Å; F282-W285 HydrophobicContact CE1-CD2 4.47Å; F282-W285 AromaticContact CE1-CE2 3.81Å; F282-W285 AromaticContact CE1-CH2 3.85Å; F282-W285 HydrophobicContact CE1-CH2 3.85Å; F282-W285 AromaticContact CE1-CZ2 3.46Å; F282-W285 HydrophobicContact CE1-CZ2 3.46Å; F282-W285 VanDerWaalsContact CE1-CZ2 3.46Å; F282-W285 HydrophobicContact CE1-CZ3 4.46Å; F282-W285 WeakPolarHBondContact O-CB 3.16Å; F282-W285 PolarHBondContact O-N 3.25Å; F282-P397 HydrophobicContact CD1-CB 4.47Å; F282-P397 HydrophobicContact CD1-CG 3.57Å; F282-P397 HydrophobicContact CD2-CG 4.18Å; F282-P397 HydrophobicContact CE1-CB 4.1Å; F282-P397 HydrophobicContact CE1-CG 3.65Å; F282-P397 HydrophobicContact CE2-CG 4.24Å; F282-P397 HydrophobicContact CG-CG 3.85Å; F282-P397 HydrophobicContact CZ-CB 4.32Å; F282-P397 HydrophobicContact CZ-CG 3.99Å
283	S	98.6	Very high	97.9	Very high	27 Å²	27	48.1 Å²	48.1	19%	0.189	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-68.5	-22.5	170.5	70.1	0	0	0	0	113	S277 P278 S280 I281 R286	S277-S283 WeakPolarHBondContact O-CB 3.29Å; S277-S283 PolarHBondContact O-OG 3.1Å; P278-S283 WeakPolarHBondContact CA-OG 3.22Å; S280-S283 WeakPolarHBondContact O-CB 3.32Å; S280-S283 PolarHBondContact O-N 3.47Å; S280-S283 PolarHBondContact O-OG 3.21Å; I281-S283 PolarHBondContact O-N 2.84Å; S283-R286 PolarHBondContact O-NH1 3.21Å
284	E	98.5	Very high	97.8	Very high	111 Å²	111	47.6 Å²	47.6	52%	0.519	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-81	-19.5	175.2	-59.4	-176.3	-179.2	0	0	112.6	R152 I281 F282 R286	R152-E284 IonicContact CZ-OE2 2.84Å; R152-E284 IonicContact NH2-OE2 3.08Å; R152-E284 PolarHBondContact NH2-OE2 3.03Å; I281-E284 WeakPolarHBondContact O-CB 3.35Å; I281-E284 PolarHBondContact O-N 3.45Å; I281-E284 VanDerWaalsContact O-N 3.15Å; F282-E284 PolarHBondContact O-N 2.81Å; E284-R286 PolarHBondContact O-NH1 2.8Å; E284-R286 VanDerWaalsContact O-NH1 3.12Å
285	W	98.8	Very high	97.7	Very high	6 Å²	6	45.6 Å²	45.6	2%	0.023	24%	0.238	C	C	.	.			trans	-64	142.2	-177.5	-76	26.5	0	0	0	110.8	L147 N148 K151 Y184 F282 I310 P397	L147-W285 HydrophobicContact CB-CH2 4.29Å; L147-W285 HydrophobicContact CB-CZ2 4.33Å; L147-W285 WeakPolarHBondContact O-CZ2 3.5Å; N148-W285 PolarHBondContact OD1-NE1 2.9Å; K151-W285 HydrophobicContact CB-CD2 4.29Å; K151-W285 HydrophobicContact CB-CH2 3.94Å; K151-W285 HydrophobicContact CB-CZ2 3.44Å; K151-W285 VanDerWaalsContact CB-CZ2 3.44Å; K151-W285 HydrophobicContact CD-CD2 4.08Å; K151-W285 HydrophobicContact CD-CE3 4.07Å; K151-W285 HydrophobicContact CD-CZ3 4.31Å; K151-W285 HydrophobicContact CG-CD2 3.76Å; K151-W285 HydrophobicContact CG-CE3 4.23Å; K151-W285 HydrophobicContact CG-CG 4.18Å; K151-W285 HydrophobicContact CG-CH2 4.34Å; K151-W285 HydrophobicContact CG-CZ2 3.89Å; Y184-W285 AromaticContact CD1-CH2 3.95Å; Y184-W285 HydrophobicContact CD1-CH2 3.95Å; Y184-W285 AromaticContact CD1-CZ3 3.62Å; Y184-W285 HydrophobicContact CD1-CZ3 3.62Å; Y184-W285 AromaticContact CD2-CH2 3.92Å; Y184-W285 HydrophobicContact CD2-CH2 3.92Å; Y184-W285 HydrophobicContact CD2-CZ3 4.32Å; Y184-W285 HydrophobicContact CE1-CE3 4.35Å; Y184-W285 AromaticContact CE1-CH2 3.99Å; Y184-W285 HydrophobicContact CE1-CH2 3.99Å; Y184-W285 AromaticContact CE1-CZ3 3.38Å; Y184-W285 HydrophobicContact CE1-CZ3 3.38Å; Y184-W285 AromaticContact CE2-CH2 3.94Å; Y184-W285 HydrophobicContact CE2-CH2 3.94Å; Y184-W285 HydrophobicContact CE2-CZ3 4.11Å; Y184-W285 AromaticContact CG-CH2 3.93Å; Y184-W285 HydrophobicContact CG-CH2 3.93Å; Y184-W285 HydrophobicContact CG-CZ3 4.1Å; Y184-W285 AromaticContact CZ-CH2 3.99Å; Y184-W285 AromaticContact CZ-CZ3 3.66Å; F282-W285 AromaticContact CD1-CD2 3.84Å; F282-W285 HydrophobicContact CD1-CD2 3.84Å; F282-W285 AromaticContact CD1-CE2 3.51Å; F282-W285 HydrophobicContact CD1-CE3 4.27Å; F282-W285 HydrophobicContact CD1-CG 4.34Å; F282-W285 HydrophobicContact CD1-CH2 4.14Å; F282-W285 AromaticContact CD1-CZ2 3.68Å; F282-W285 HydrophobicContact CD1-CZ2 3.68Å; F282-W285 HydrophobicContact CD1-CZ3 4.39Å; F282-W285 AromaticContact CD1-NE1 3.82Å; F282-W285 HydrophobicContact CE1-CD2 4.47Å; F282-W285 AromaticContact CE1-CE2 3.81Å; F282-W285 AromaticContact CE1-CH2 3.85Å; F282-W285 HydrophobicContact CE1-CH2 3.85Å; F282-W285 AromaticContact CE1-CZ2 3.46Å; F282-W285 HydrophobicContact CE1-CZ2 3.46Å; F282-W285 VanDerWaalsContact CE1-CZ2 3.46Å; F282-W285 HydrophobicContact CE1-CZ3 4.46Å; F282-W285 WeakPolarHBondContact O-CB 3.16Å; F282-W285 PolarHBondContact O-N 3.25Å; W285-I310 HydrophobicContact CB-CD1 3.82Å; W285-I310 HydrophobicContact CB-CG1 4.37Å; W285-I310 HydrophobicContact CE3-CD1 4.1Å; W285-I310 HydrophobicContact CG-CD1 4.49Å; W285-P397 HydrophobicContact CE3-CG 4.44Å; W285-P397 HydrophobicContact CH2-CB 4.16Å; W285-P397 HydrophobicContact CH2-CG 4.41Å; W285-P397 HydrophobicContact CZ3-CB 3.98Å; W285-P397 HydrophobicContact CZ3-CG 4.03Å
286	R	98.8	Very high	97.5	Very high	94 Å²	94	45.7 Å²	45.7	36%	0.355	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-117.4	144.3	172.7	-60.5	-61.7	177.2	-99.3	-0.1	109.3	K151 S283 E284 E306 T307 S308	K151-R286 WeakPolarHBondContact CE-O 3.47Å; K151-R286 PolarHBondContact NZ-O 2.95Å; S283-R286 PolarHBondContact O-NH1 3.21Å; E284-R286 PolarHBondContact O-NH1 2.8Å; E284-R286 VanDerWaalsContact O-NH1 3.12Å; R286-E306 HydrophobicContact CB-CB 3.48Å; R286-E306 VanDerWaalsContact CB-CB 3.48Å; R286-E306 HydrophobicContact CB-CG 4.47Å; R286-T307 WeakPolarHBondContact CD-O 3.33Å; R286-S308 CarbonylContact C-O 3.55Å; R286-S308 VanDerWaalsContact CA-O 3.27Å; R286-S308 WeakPolarHBondContact CA-O 3.22Å
287	V	98.8	Very high	97.4	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	25%	0.254	C	S	.	.			trans	-85.5	152	-172.3	-53.5	0	0	0	0	111.1	E290 E306 T307 S308 I310 T386 N395	V287-E290 HydrophobicContact CG2-CB 4.11Å; V287-E306 CarbonylContact O-C 3.55Å; V287-E306 VanDerWaalsContact O-CA 3.24Å; V287-E306 WeakPolarHBondContact O-CA 3.5Å; V287-T307 PolarHBondContact O-N 2.81Å; V287-T307 PolarHBondContact O-OG1 2.84Å; V287-S308 WeakPolarHBondContact CG2-O 3.5Å; V287-S308 PolarHBondContact N-O 3.15Å; V287-I310 HydrophobicContact CG1-CG1 4.18Å; V287-T386 HydrophobicContact CG1-CG2 4.13Å; V287-N395 WeakPolarHBondContact CA-OD1 3.29Å; V287-N395 HydrophobicContact CB-CB 4.04Å; V287-N395 HydrophobicContact CG1-CB 3.8Å
288	V	98.8	Very high	97.2	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.012	28%	0.279	C	S	.	.	S	Bend	trans	-110.2	162.8	165.3	-63.3	0	0	0	0	109.7	N185 V188 E290 E306 L392 N395	N185-V288 HydrophobicContact CB-CG2 4.41Å; V188-V288 HydrophobicContact CB-CG2 3.89Å; V188-V288 HydrophobicContact CG1-CG2 3.54Å; V288-E290 PolarHBondContact O-N 3.3Å; V288-E306 HydrophobicContact CG1-CB 4.44Å; V288-E306 HydrophobicContact CG1-CG 3.87Å; V288-L392 VanDerWaalsContact O-CD2 3.24Å; V288-L392 WeakPolarHBondContact O-CD2 3.45Å; V288-N395 PolarHBondContact N-OD1 2.96Å; V288-N395 PolarHBondContact O-ND2 3.37Å
289	C	98.2	Very high	97	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.007	26%	0.257	C	S	.	.	S	Bend	trans	68.9	25.4	174.9	-44.6	0	0	0	0	116	Y192 C302	Y192-C289 HydrophobicContact CD1-CB 4.31Å; Y192-C289 HydrophobicContact CD2-CB 3.63Å; Y192-C289 HydrophobicContact CE2-CB 4.25Å; Y192-C289 HydrophobicContact CG-CB 3.67Å; C289-C302 WeakPolarHBondContact CA-SG 3.41Å; C289-C302 HydrophobicContact CB-CB 3.64Å; C289-C302 WeakPolarHBondContact CB-SG 3.19Å; C289-C302 PolarHBondContact N-SG 3.43Å; C289-C302 WeakPolarHBondContact SG-CB 3.34Å; C289-C302 CovalentContact SG-SG 2.03Å; C289-C302 PolarHBondContact SG-SG 2.93Å
290	E	97.1	Very high	96.9	Very high	73 Å²	73	44.5 Å²	44.5	34%	0.341	23%	0.229	S	C	.	.			trans	-79.8	-26.8	178.5	-173	174	-132.5	0	0	113.4	V287 V288 V292 T307 S308 L392	V287-E290 HydrophobicContact CG2-CB 4.11Å; V288-E290 PolarHBondContact O-N 3.3Å; E290-V292 PolarHBondContact O-N 3.29Å; E290-T307 PolarHBondContact OE2-OG1 3.21Å; E290-S308 PolarHBondContact OE1-OG 2.92Å; E290-S308 VanDerWaalsContact OE2-CB 3.25Å; E290-S308 WeakPolarHBondContact OE2-CB 3.29Å; E290-S308 PolarHBondContact OE2-OG 3.31Å; E290-L392 HydrophobicContact CB-CD2 4.15Å; E290-L392 HydrophobicContact CG-CD1 4.37Å
291	S	96.8	Very high	96.9	Very high	42 Å²	42	44.7 Å²	44.7	29%	0.294	23%	0.23	S	C	.	.			trans	-81.1	49.5	-174.1	-53	0	0	0	0	113.9	E293 D294 Y295	S291-E293 PolarHBondContact O-N 3.46Å; S291-E293 VanDerWaalsContact O-N 3.17Å; S291-D294 WeakPolarHBondContact O-CB 3.39Å; S291-D294 PolarHBondContact O-N 3.3Å; S291-Y295 VanDerWaalsContact C-CE2 3.42Å; S291-Y295 PolarHBondContact N-OH 3.42Å; S291-Y295 WeakPolarHBondContact O-CD1 3.3Å; S291-Y295 VanDerWaalsContact O-CD2 3.28Å; S291-Y295 WeakPolarHBondContact O-CD2 3.41Å; S291-Y295 WeakPolarHBondContact O-CE2 3.33Å; S291-Y295 VanDerWaalsContact O-CG 3.27Å; S291-Y295 PolarHBondContact O-N 2.86Å
292	V	94.9	Very high	96.8	Very high	46 Å²	46	42.5 Å²	42.5	28%	0.279	22%	0.219	S	C	.	.	H	α-helix	trans	-58.4	-29.9	-176.9	-67.1	0	0	0	0	114.1	Y192 E290 Y295 D296 H391	Y192-V292 HydrophobicContact CE2-CG1 4.34Å; E290-V292 PolarHBondContact O-N 3.29Å; V292-Y295 HydrophobicContact CG1-CD2 4.3Å; V292-Y295 PolarHBondContact O-N 2.83Å; V292-D296 VanDerWaalsContact O-CB 3.23Å; V292-D296 WeakPolarHBondContact O-CB 3.27Å; V292-D296 PolarHBondContact O-N 3.5Å; V292-H391 HydrophobicContact CG1-CB 4.4Å; V292-H391 WeakPolarHBondContact CG1-CD2 3.23Å
293	E	93.9	Very high	96.8	Very high	151 Å²	151	44.8 Å²	44.8	71%	0.706	23%	0.231	S	C	*	.	H	α-helix	trans	-63.6	-42.8	174.8	-173.8	174	-174.8	0	0	111.7	S291 T297	S291-E293 PolarHBondContact O-N 3.46Å; S291-E293 VanDerWaalsContact O-N 3.17Å; E293-T297 HydrophobicContact CG-CG2 4.43Å; E293-T297 VanDerWaalsContact O-CB 3.31Å; E293-T297 WeakPolarHBondContact O-CB 3.25Å; E293-T297 WeakPolarHBondContact O-CG2 3.34Å; E293-T297 PolarHBondContact O-N 2.92Å; E293-T297 VanDerWaalsContact O-N 3.07Å; E293-T297 PolarHBondContact O-OG1 3.35Å
294	D	94.4	Very high	96.7	Very high	81 Å²	81	45.3 Å²	45.3	43%	0.433	23%	0.234	S	C	.	.	H	α-helix	trans	-65.3	-42.4	176.6	-66.7	-22.9	0	0	0	110.7	S291 L298	S291-D294 WeakPolarHBondContact O-CB 3.39Å; S291-D294 PolarHBondContact O-N 3.3Å; D294-L298 HydrophobicContact CB-CD1 4.26Å; D294-L298 WeakPolarHBondContact O-CB 3.33Å; D294-L298 WeakPolarHBondContact O-CG 3.45Å; D294-L298 PolarHBondContact O-N 2.8Å
295	Y	96.1	Very high	96.7	Very high	18 Å²	18	43.7 Å²	43.7	7%	0.071	23%	0.232	C	C	.	.	H	α-helix	trans	-63.8	-49.3	-179.7	-48.7	-29.6	0	0	0	110.8	Y192 S291 V292 T297 G299 T300 C302	Y192-Y295 AromaticContact CE2-CD2 3.8Å; Y192-Y295 HydrophobicContact CE2-CD2 3.8Å; Y192-Y295 HydrophobicContact CE2-CE2 4.12Å; Y192-Y295 AromaticContact CZ-CD2 3.58Å; Y192-Y295 WeakPolarHBondContact OH-CB 3.35Å; Y192-Y295 WeakPolarHBondContact OH-CD2 3.04Å; S291-Y295 VanDerWaalsContact C-CE2 3.42Å; S291-Y295 PolarHBondContact N-OH 3.42Å; S291-Y295 WeakPolarHBondContact O-CD1 3.3Å; S291-Y295 VanDerWaalsContact O-CD2 3.28Å; S291-Y295 WeakPolarHBondContact O-CD2 3.41Å; S291-Y295 WeakPolarHBondContact O-CE2 3.33Å; S291-Y295 VanDerWaalsContact O-CG 3.27Å; S291-Y295 PolarHBondContact O-N 2.86Å; V292-Y295 HydrophobicContact CG1-CD2 4.3Å; V292-Y295 PolarHBondContact O-N 2.83Å; Y295-T297 VanDerWaalsContact C-N 3.31Å; Y295-T297 PolarHBondContact O-N 3.46Å; Y295-G299 WeakPolarHBondContact O-CA 3.37Å; Y295-G299 PolarHBondContact O-N 3.18Å; Y295-G299 VanDerWaalsContact O-N 3.11Å; Y295-T300 VanDerWaalsContact CA-O 3.31Å; Y295-T300 WeakPolarHBondContact CA-O 3.27Å; Y295-T300 VanDerWaalsContact CB-O 3.31Å; Y295-T300 WeakPolarHBondContact CB-O 3.22Å; Y295-T300 PolarHBondContact O-N 3.06Å; Y295-C302 HydrophobicContact CE2-CB 4Å
296	D	95.5	Very high	96.7	Very high	25 Å²	25	47.1 Å²	47.1	13%	0.134	25%	0.249	C	C	.	.	H	α-helix	trans	-70	-23.5	-176.8	-73.9	-11.4	0	0	0	113.5	K197 F199 S206 V292	K197-D296 WeakPolarHBondContact CD-OD2 3.39Å; K197-D296 WeakPolarHBondContact CE-OD2 3.26Å; K197-D296 IonicContact NZ-OD2 3.38Å; K197-D296 PolarHBondContact NZ-OD2 3.09Å; F199-D296 WeakPolarHBondContact CD2-O 3.12Å; S206-D296 PolarHBondContact OG-O 2.84Å; V292-D296 VanDerWaalsContact O-CB 3.23Å; V292-D296 WeakPolarHBondContact O-CB 3.27Å; V292-D296 PolarHBondContact O-N 3.5Å
297	T	95.1	Very high	96.6	Very high	69 Å²	69	45.4 Å²	45.4	42%	0.423	25%	0.249	S	C	.	.	H	α-helix	trans	-103.2	-35.6	-176.6	60.4	0	0	0	0	113.5	E293 Y295	E293-T297 HydrophobicContact CG-CG2 4.43Å; E293-T297 VanDerWaalsContact O-CB 3.31Å; E293-T297 WeakPolarHBondContact O-CB 3.25Å; E293-T297 WeakPolarHBondContact O-CG2 3.34Å; E293-T297 PolarHBondContact O-N 2.92Å; E293-T297 VanDerWaalsContact O-N 3.07Å; E293-T297 PolarHBondContact O-OG1 3.35Å; Y295-T297 VanDerWaalsContact C-N 3.31Å; Y295-T297 PolarHBondContact O-N 3.46Å
298	L	95.3	Very high	96.5	Very high	114 Å²	114	47.3 Å²	47.3	60%	0.597	26%	0.262	S	S	*	.	H	α-helix	trans	-96	-9.4	-177.2	-53.8	177	0	0	0	113	D294 T300	D294-L298 HydrophobicContact CB-CD1 4.26Å; D294-L298 WeakPolarHBondContact O-CB 3.33Å; D294-L298 WeakPolarHBondContact O-CG 3.45Å; D294-L298 PolarHBondContact O-N 2.8Å; L298-T300 VanDerWaalsContact C-N 3.3Å; L298-T300 HydrophobicContact CB-CG2 4.07Å
299	G	93.9	Very high	96.5	Very high	4 Å²	4	49.2 Å²	49.2	4%	0.041	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	33.8	-175.1	0	0	0	0	0	112.2	H164 F199 Y295	H164-G299 PolarHBondContact CD2-O 2.82Å; H164-G299 VanDerWaalsContact CD2-O 3.26Å; F199-G299 VanDerWaalsContact CE1-CA 3.48Å; F199-G299 VanDerWaalsContact CE2-N 3.32Å; F199-G299 VanDerWaalsContact CZ-CA 3.5Å; Y295-G299 WeakPolarHBondContact O-CA 3.37Å; Y295-G299 PolarHBondContact O-N 3.18Å; Y295-G299 VanDerWaalsContact O-N 3.11Å
300	T	96.3	Very high	96.5	Very high	22 Å²	22	49.4 Å²	49.4	14%	0.135	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-99.9	160.8	174	60.5	0	0	0	0	109.9	Y295 L298	Y295-T300 VanDerWaalsContact CA-O 3.31Å; Y295-T300 WeakPolarHBondContact CA-O 3.27Å; Y295-T300 VanDerWaalsContact CB-O 3.31Å; Y295-T300 WeakPolarHBondContact CB-O 3.22Å; Y295-T300 PolarHBondContact O-N 3.06Å; L298-T300 VanDerWaalsContact C-N 3.3Å; L298-T300 HydrophobicContact CB-CG2 4.07Å
301	I	97.2	Very high	96.6	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.031	28%	0.277	C	S	.	.			trans	-109.9	148.8	175.5	-56.1	170.7	0	0	0	107.8	A161 T162 R163 W189 Y192 Y193 N303	A161-I301 HydrophobicContact CB-CD1 4.39Å; A161-I301 WeakPolarHBondContact O-CG2 3.48Å; T162-I301 PolarHBondContact O-N 3.15Å; R163-I301 VanDerWaalsContact O-CD1 3.29Å; R163-I301 WeakPolarHBondContact O-CD1 3.39Å; W189-I301 HydrophobicContact CZ2-CG2 3.77Å; Y192-I301 HydrophobicContact CE1-CG2 4.06Å; Y193-I301 HydrophobicContact CD2-CG2 3.98Å; Y193-I301 HydrophobicContact CE2-CD1 3.89Å; Y193-I301 HydrophobicContact CE2-CG2 4.39Å; I301-N303 PolarHBondContact O-N 2.96Å
302	C	97.9	Very high	96.7	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.264	C	S	.	.			trans	-41.5	130.8	170.5	173.2	0	0	0	0	111.7	W189 Y192 C289 Y295	W189-C302 PolarHBondContact NE1-O 2.78Å; Y192-C302 HydrophobicContact CD1-CB 3.44Å; Y192-C302 VanDerWaalsContact CD1-CB 3.44Å; Y192-C302 HydrophobicContact CE1-CB 3.32Å; Y192-C302 HydrophobicContact CE2-CB 4.45Å; Y192-C302 HydrophobicContact CG-CB 4.12Å; C289-C302 WeakPolarHBondContact CA-SG 3.41Å; C289-C302 HydrophobicContact CB-CB 3.64Å; C289-C302 WeakPolarHBondContact CB-SG 3.19Å; C289-C302 PolarHBondContact N-SG 3.43Å; C289-C302 WeakPolarHBondContact SG-CB 3.34Å; C289-C302 CovalentContact SG-SG 2.03Å; C289-C302 PolarHBondContact SG-SG 2.93Å; Y295-C302 HydrophobicContact CE2-CB 4Å
303	N	97.6	Very high	96.9	Very high	47 Å²	47	47.3 Å²	47.3	25%	0.251	25%	0.254	S	S	.	.			trans	-106.2	-174.9	-179.6	75.7	1.3	0	0	0	110.8	T162 E179 I301 T305	T162-N303 HydrophobicContact CG2-CB 3.78Å; E179-N303 WeakPolarHBondContact OE2-CB 3.33Å; I301-N303 PolarHBondContact O-N 2.96Å; N303-T305 VanDerWaalsContact C-N 3.27Å; N303-T305 PolarHBondContact ND2-OG1 3.43Å; N303-T305 PolarHBondContact O-N 2.95Å; N303-T305 VanDerWaalsContact OD1-CB 3.3Å; N303-T305 WeakPolarHBondContact OD1-CB 3.29Å; N303-T305 PolarHBondContact OD1-N 3.39Å; N303-T305 PolarHBondContact OD1-OG1 3.02Å
304	S	97.5	Very high	97.1	Very high	38 Å²	38	40.9 Å²	40.9	27%	0.266	23%	0.225	S	C	.	.	S	Bend	trans	-85.5	4.3	-177.1	70.3	0	0	0	0	114.1	E179 N180 E306	E179-S304 PolarHBondContact OE2-N 3.38Å; E179-S304 PolarHBondContact OE2-OG 3.39Å; E179-S304 VanDerWaalsContact OE2-OG 3.08Å; N180-S304 WeakPolarHBondContact O-CB 3.36Å; N180-S304 PolarHBondContact O-OG 2.63Å; S304-E306 PolarHBondContact O-N 3.19Å
305	T	97.7	Very high	97.3	Very high	78 Å²	78	37.8 Å²	37.8	48%	0.479	21%	0.21	S	C	.	.			trans	-77.5	121.3	-175.8	-57.3	0	0	0	0	109.8	N303	N303-T305 VanDerWaalsContact C-N 3.27Å; N303-T305 PolarHBondContact ND2-OG1 3.43Å; N303-T305 PolarHBondContact O-N 2.95Å; N303-T305 VanDerWaalsContact OD1-CB 3.3Å; N303-T305 WeakPolarHBondContact OD1-CB 3.29Å; N303-T305 PolarHBondContact OD1-N 3.39Å; N303-T305 PolarHBondContact OD1-OG1 3.02Å
306	E	98.4	Very high	97.3	Very high	77 Å²	77	37.9 Å²	37.9	36%	0.36	22%	0.217	S	C	.	.			trans	-85.1	140.2	177	-45.9	-169.1	143	0	0	111.5	K151 N185 R286 V287 V288 S304	K151-E306 WeakPolarHBondContact CE-OE1 3.36Å; K151-E306 IonicContact NZ-OE1 3.77Å; K151-E306 PolarHBondContact NZ-OE1 2.88Å; N185-E306 PolarHBondContact ND2-OE1 2.82Å; R286-E306 HydrophobicContact CB-CB 3.48Å; R286-E306 VanDerWaalsContact CB-CB 3.48Å; R286-E306 HydrophobicContact CB-CG 4.47Å; V287-E306 CarbonylContact O-C 3.55Å; V287-E306 VanDerWaalsContact O-CA 3.24Å; V287-E306 WeakPolarHBondContact O-CA 3.5Å; V288-E306 HydrophobicContact CG1-CB 4.44Å; V288-E306 HydrophobicContact CG1-CG 3.87Å; S304-E306 PolarHBondContact O-N 3.19Å
307	T	96.9	Very high	97.4	Very high	58 Å²	58	38.5 Å²	38.5	36%	0.356	22%	0.221	S	C	.	.			trans	-115.2	-99.3	-173	59.3	0	0	0	0	112.5	R286 V287 E290	R286-T307 WeakPolarHBondContact CD-O 3.33Å; V287-T307 PolarHBondContact O-N 2.81Å; V287-T307 PolarHBondContact O-OG1 2.84Å; E290-T307 PolarHBondContact OE2-OG1 3.21Å
308	S	97.6	Very high	97.4	Very high	42 Å²	42	40.2 Å²	40.2	29%	0.294	23%	0.231	S	C	.	.	S	Bend	trans	-84.7	158.6	-170.1	-61.7	0	0	0	0	112	R286 V287 E290	R286-S308 CarbonylContact C-O 3.55Å; R286-S308 VanDerWaalsContact CA-O 3.27Å; R286-S308 WeakPolarHBondContact CA-O 3.22Å; V287-S308 WeakPolarHBondContact CG2-O 3.5Å; V287-S308 PolarHBondContact N-O 3.15Å; E290-S308 PolarHBondContact OE1-OG 2.92Å; E290-S308 VanDerWaalsContact OE2-CB 3.25Å; E290-S308 WeakPolarHBondContact OE2-CB 3.29Å; E290-S308 PolarHBondContact OE2-OG 3.31Å
309	P	98.6	Very high	97.3	Very high	41 Å²	41	42.1 Å²	42.1	27%	0.266	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-66.9	159.8	168.9	29.8	-35.7	0	0	0	111.9	R311	P309-R311 PolarHBondContact O-N 3.06Å
310	I	98.8	Very high	97.3	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.026	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-58.5	134.5	169.5	-62.4	168.9	0	0	0	109.7	L276 W285 V287 N395 D396	L276-I310 HydrophobicContact CD1-CB 4.17Å; L276-I310 HydrophobicContact CD1-CD1 4.36Å; L276-I310 HydrophobicContact CD1-CG2 4.13Å; W285-I310 HydrophobicContact CB-CD1 3.82Å; W285-I310 HydrophobicContact CB-CG1 4.37Å; W285-I310 HydrophobicContact CE3-CD1 4.1Å; W285-I310 HydrophobicContact CG-CD1 4.49Å; V287-I310 HydrophobicContact CG1-CG1 4.18Å; I310-N395 VanDerWaalsContact CD1-O 3.26Å; I310-N395 WeakPolarHBondContact CD1-O 3.02Å; I310-D396 HydrophobicContact CG2-CB 4.36Å
311	R	98.8	Very high	97.1	Very high	102 Å²	102	48.3 Å²	48.3	39%	0.385	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-105.6	128.9	170.4	-59.8	-56.8	-169.2	163.2	3.6	109.6	D272 N274 S275 P309 G385 T386	D272-R311 IonicContact OD2-NH1 2.67Å; D272-R311 PolarHBondContact OD2-NH1 3.25Å; N274-R311 CarbonylContact O-C 3.55Å; N274-R311 VanDerWaalsContact O-CA 3.26Å; N274-R311 WeakPolarHBondContact O-CA 3.46Å; S275-R311 PolarHBondContact OG-NH1 3.43Å; P309-R311 PolarHBondContact O-N 3.06Å; R311-G385 CarbonylContact O-C 3.46Å; R311-G385 VanDerWaalsContact O-CA 3.31Å; R311-G385 WeakPolarHBondContact O-CA 3.45Å; R311-T386 PolarHBondContact N-OG1 3.08Å; R311-T386 PolarHBondContact O-N 3.36Å; R311-T386 PolarHBondContact O-OG1 3.47Å
312	R	98.8	Very high	96.9	Very high	5 Å²	5	52.5 Å²	52.5	2%	0.019	29%	0.293	C	S	.	.			trans	-150.4	127.2	178.2	-160.7	-168.7	-65.5	152.8	4.5	110.3	M265 N274 L276 P314 L383 D396 I398	M265-R312 PolarHBondContact O-NH1 3.25Å; N274-R312 CarbonylContact C-O 3.47Å; N274-R312 PolarHBondContact O-N 3.43Å; L276-R312 HydrophobicContact CD2-CB 4.1Å; R312-P314 HydrophobicContact CG-CG 4.14Å; R312-L383 HydrophobicContact CG-CB 4.35Å; R312-L383 HydrophobicContact CG-CD2 4.45Å; R312-D396 IonicContact CZ-OD1 3.36Å; R312-D396 VanDerWaalsContact CZ-OD1 3.26Å; R312-D396 IonicContact CZ-OD2 3.24Å; R312-D396 IonicContact NE-OD1 3.36Å; R312-D396 PolarHBondContact NE-OD1 3.48Å; R312-D396 IonicContact NE-OD2 2.8Å; R312-D396 PolarHBondContact NE-OD2 2.71Å; R312-D396 IonicContact NH2-OD1 2.72Å; R312-D396 PolarHBondContact NH2-OD1 2.79Å; R312-D396 IonicContact NH2-OD2 2.69Å; R312-D396 PolarHBondContact NH2-OD2 3.14Å; R312-I398 VanDerWaalsContact CZ-CD1 3.49Å
313	N	98.5	Very high	96.9	Very high	11 Å²	11	52.6 Å²	52.6	6%	0.059	29%	0.293	C	S	.	.			trans	-142.1	74.1	177.5	-174.5	3.5	0	0	0	110.5	R268 N274 A315 G316 L383 N384	R268-N313 VanDerWaalsContact CZ-OD1 3.31Å; R268-N313 PolarHBondContact NH2-OD1 3.27Å; N274-N313 WeakPolarHBondContact OD1-CB 3.48Å; N274-N313 PolarHBondContact OD1-ND2 2.88Å; N313-A315 PolarHBondContact O-N 3.38Å; N313-G316 WeakPolarHBondContact O-CA 3.46Å; N313-G316 PolarHBondContact O-N 2.61Å; N313-L383 CarbonylContact C-O 3.26Å; N313-L383 VanDerWaalsContact C-O 3.31Å; N313-L383 PolarHBondContact N-O 3.05Å; N313-N384 WeakPolarHBondContact O-CB 3.37Å
314	P	98.5	Very high	96.8	Very high	15 Å²	15	52.8 Å²	52.8	10%	0.097	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	136.6	-174.5	-26.6	36.4	0	0	0	112.3	C257 R268 R312 G316 F382	C257-P314 HydrophobicContact CB-CB 3.85Å; C257-P314 HydrophobicContact CB-CG 3.92Å; R268-P314 PolarHBondContact NH2-O 2.98Å; R312-P314 HydrophobicContact CG-CG 4.14Å; P314-G316 PolarHBondContact O-N 2.71Å; P314-G316 VanDerWaalsContact O-N 3.11Å; P314-F382 CarbonylContact C-O 3.32Å; P314-F382 VanDerWaalsContact CA-O 3.28Å; P314-F382 WeakPolarHBondContact CA-O 3.19Å; P314-F382 HydrophobicContact CB-CD1 4.3Å; P314-F382 HydrophobicContact CB-CE1 3.68Å; P314-F382 HydrophobicContact CB-CZ 3.98Å
315	A	98.1	Very high	96.9	Very high	16 Å²	16	58.2 Å²	58.2	13%	0.132	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	9	-172.8	0	0	0	0	0	115.8	N255 N313 N317 Q324 F382	N255-A315 HydrophobicContact CB-CB 4.15Å; N255-A315 WeakPolarHBondContact O-CB 3.49Å; N313-A315 PolarHBondContact O-N 3.38Å; A315-N317 VanDerWaalsContact C-N 3.34Å; A315-N317 PolarHBondContact O-N 2.83Å; A315-Q324 HydrophobicContact CB-CB 4.32Å; A315-Q324 WeakPolarHBondContact CB-O 3.43Å; A315-Q324 WeakPolarHBondContact O-CG 3.33Å; A315-Q324 PolarHBondContact O-NE2 2.8Å; A315-F382 HydrophobicContact CB-CD2 4.31Å; A315-F382 HydrophobicContact CB-CE2 3.62Å; A315-F382 HydrophobicContact CB-CZ 4.21Å; A315-F382 PolarHBondContact N-O 3.02Å
316	G	97.3	Very high	96.9	Very high	21 Å²	21	54.7 Å²	54.7	22%	0.216	29%	0.285	C	S	.	.			trans	-79.8	-6	-170.3	0	0	0	0	0	115.8	N313 P314 V318	N313-G316 WeakPolarHBondContact O-CA 3.46Å; N313-G316 PolarHBondContact O-N 2.61Å; P314-G316 PolarHBondContact O-N 2.71Å; P314-G316 VanDerWaalsContact O-N 3.11Å; G316-V318 PolarHBondContact O-N 3.4Å
317	N	96.4	Very high	96.9	Very high	38 Å²	38	51 Å²	51	20%	0.203	27%	0.269	C	S	.	.			trans	-81.4	79.8	-176.4	-165.4	-19.5	0	0	0	112.1	A315 N319 R320 V323 Q324 N384	A315-N317 VanDerWaalsContact C-N 3.34Å; A315-N317 PolarHBondContact O-N 2.83Å; N317-N319 PolarHBondContact O-N 3.16Å; N317-N319 PolarHBondContact OD1-N 3.37Å; N317-R320 CarbonylContact O-C 3.38Å; N317-R320 PolarHBondContact O-N 2.94Å; N317-R320 VanDerWaalsContact O-N 3.13Å; N317-R320 PolarHBondContact OD1-N 2.81Å; N317-V323 HydrophobicContact CB-CG2 3.83Å; N317-Q324 WeakPolarHBondContact O-CG 3.49Å; N317-N384 HydrophobicContact CB-CB 4.22Å; N317-N384 PolarHBondContact N-ND2 3.25Å
318	V	94.6	Very high	96.9	Very high	105 Å²	105	52.4 Å²	52.4	64%	0.636	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-23	179.6	-62.1	0	0	0	0	113.8	G316 R320	G316-V318 PolarHBondContact O-N 3.4Å; V318-R320 VanDerWaalsContact C-N 3.26Å; V318-R320 PolarHBondContact O-N 2.97Å
319	N	94.1	Very high	96.9	Very high	153 Å²	153	53.2 Å²	53.2	82%	0.818	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-16	178.4	-65.7	-30.3	0	0	0	112.2	N317	N317-N319 PolarHBondContact O-N 3.16Å; N317-N319 PolarHBondContact OD1-N 3.37Å
320	R	93.8	Very high	96.8	Very high	72 Å²	72	55.3 Å²	55.3	27%	0.272	28%	0.281	S	S	.	.			trans	-136.7	77	-179.3	-166.6	175.5	-179.9	-171	2.3	110.7	N317 V318 M322 V323	N317-R320 CarbonylContact O-C 3.38Å; N317-R320 PolarHBondContact O-N 2.94Å; N317-R320 VanDerWaalsContact O-N 3.13Å; N317-R320 PolarHBondContact OD1-N 2.81Å; V318-R320 VanDerWaalsContact C-N 3.26Å; V318-R320 PolarHBondContact O-N 2.97Å; R320-M322 HydrophobicContact CG-CG 3.72Å; R320-M322 HydrophobicContact CG-SD 4.12Å; R320-M322 PolarHBondContact NE-SD 2.8Å; R320-M322 VanDerWaalsContact NE-SD 3.44Å; R320-M322 PolarHBondContact O-N 3.02Å; R320-V323 HydrophobicContact CB-CG2 4.11Å; R320-V323 HydrophobicContact CG-CG1 4.22Å; R320-V323 HydrophobicContact CG-CG2 4.2Å; R320-V323 VanDerWaalsContact O-CG2 3.29Å; R320-V323 WeakPolarHBondContact O-CG2 3.4Å; R320-V323 PolarHBondContact O-N 2.85Å
321	P	93.3	Very high	96.7	Very high	85 Å²	85	56.8 Å²	56.8	55%	0.552	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-55.3	-30	-173.4	-28.8	36.2	0	0	0	115.5	V323 Q324	P321-V323 PolarHBondContact O-N 2.97Å; P321-V323 VanDerWaalsContact O-N 3.17Å; P321-Q324 WeakPolarHBondContact O-CB 3.39Å; P321-Q324 PolarHBondContact O-N 3.17Å
322	M	93	Very high	96.7	Very high	94 Å²	94	52 Å²	52	46%	0.463	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-59.7	-23.6	177.3	66.3	-175	69	0	0	113.8	R320 I371 L378	R320-M322 HydrophobicContact CG-CG 3.72Å; R320-M322 HydrophobicContact CG-SD 4.12Å; R320-M322 PolarHBondContact NE-SD 2.8Å; R320-M322 VanDerWaalsContact NE-SD 3.44Å; R320-M322 PolarHBondContact O-N 3.02Å; M322-I371 HydrophobicContact CE-CG2 3.85Å; M322-I371 HydrophobicContact SD-CG2 4.35Å; M322-L378 WeakPolarHBondContact O-CD1 3.46Å
323	V	95.9	Very high	96.6	Very high	1 Å²	1	52 Å²	52	1%	0.006	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-99.4	8.1	177.6	-50.8	0	0	0	0	113.1	N317 R320 P321 R325 L378 L381 F382	N317-V323 HydrophobicContact CB-CG2 3.83Å; R320-V323 HydrophobicContact CB-CG2 4.11Å; R320-V323 HydrophobicContact CG-CG1 4.22Å; R320-V323 HydrophobicContact CG-CG2 4.2Å; R320-V323 VanDerWaalsContact O-CG2 3.29Å; R320-V323 WeakPolarHBondContact O-CG2 3.4Å; R320-V323 PolarHBondContact O-N 2.85Å; P321-V323 PolarHBondContact O-N 2.97Å; P321-V323 VanDerWaalsContact O-N 3.17Å; V323-R325 VanDerWaalsContact C-N 3.25Å; V323-L378 HydrophobicContact CB-CD1 4.07Å; V323-L378 HydrophobicContact CG1-CD1 4.11Å; V323-L381 HydrophobicContact CB-CB 3.87Å; V323-L381 HydrophobicContact CG1-CB 3.79Å; V323-L381 HydrophobicContact CG1-CD1 3.94Å; V323-L381 HydrophobicContact CG2-CB 4.3Å; V323-F382 VanDerWaalsContact O-CA 3.3Å; V323-F382 WeakPolarHBondContact O-CA 3.5Å
324	Q	97.4	Very high	96.5	Very high	51 Å²	51	53 Å²	53	24%	0.238	28%	0.278	C	S	.	.	S	Bend	trans	-86.3	1.4	176.8	-60.7	-172.1	-69.3	0	0	113.1	N255 A315 N317 P321	N255-Q324 WeakPolarHBondContact CB-O 3.36Å; A315-Q324 HydrophobicContact CB-CB 4.32Å; A315-Q324 WeakPolarHBondContact CB-O 3.43Å; A315-Q324 WeakPolarHBondContact O-CG 3.33Å; A315-Q324 PolarHBondContact O-NE2 2.8Å; N317-Q324 WeakPolarHBondContact O-CG 3.49Å; P321-Q324 WeakPolarHBondContact O-CB 3.39Å; P321-Q324 PolarHBondContact O-N 3.17Å
325	R	97.7	Very high	96.5	Very high	152 Å²	152	52.3 Å²	52.3	57%	0.574	27%	0.273	S	S	*	.	S	Bend	trans	-129.8	144.2	177.9	-71.9	-175.1	152.1	-170.7	-8.8	111	G254 N255 V323 L378	G254-R325 CarbonylContact O-C 3.06Å; G254-R325 WeakPolarHBondContact O-CA 3.21Å; G254-R325 WeakPolarHBondContact O-CB 3.47Å; N255-R325 HydrophobicContact CB-CG 4.45Å; V323-R325 VanDerWaalsContact C-N 3.25Å; R325-L378 WeakPolarHBondContact O-CD1 3.26Å; R325-L378 WeakPolarHBondContact O-CG 3.49Å
326	L	98.4	Very high	96.4	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.021	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-74	160.6	173.5	-76.4	174.1	0	0	0	111.3	W248 F250 I252 G254 F382	W248-L326 HydrophobicContact CH2-CD1 4.36Å; W248-L326 HydrophobicContact CH2-CD2 3.99Å; W248-L326 HydrophobicContact CZ2-CD1 3.8Å; W248-L326 HydrophobicContact CZ2-CD2 4.23Å; F250-L326 HydrophobicContact CB-CD2 4.3Å; F250-L326 WeakPolarHBondContact O-CB 3.25Å; I252-L326 HydrophobicContact CD1-CD1 4.08Å; I252-L326 HydrophobicContact CG1-CD1 3.87Å; G254-L326 PolarHBondContact O-N 2.99Å; L326-F382 HydrophobicContact CD1-CD1 4.46Å; L326-F382 HydrophobicContact CD1-CE1 4.04Å; L326-F382 HydrophobicContact CD1-CZ 4.24Å; L326-F382 HydrophobicContact CD2-CB 4.05Å; L326-F382 HydrophobicContact CD2-CD1 3.5Å; L326-F382 HydrophobicContact CD2-CD2 4.25Å; L326-F382 HydrophobicContact CD2-CE1 3.93Å; L326-F382 HydrophobicContact CD2-CG 3.67Å; L326-F382 HydrophobicContact CD2-CZ 4.49Å; L326-F382 HydrophobicContact CG-CD1 3.9Å; L326-F382 HydrophobicContact CG-CD2 4.13Å; L326-F382 HydrophobicContact CG-CE1 3.85Å; L326-F382 HydrophobicContact CG-CE2 4.09Å; L326-F382 HydrophobicContact CG-CG 4.03Å; L326-F382 HydrophobicContact CG-CZ 3.96Å
327	P	98.2	Very high	96.4	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.006	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-55.5	148.8	170.9	-21.1	31.5	0	0	0	112.1	F250 A251 I252 G253 D331 L375 L378	F250-P327 HydrophobicContact CD2-CB 4.48Å; F250-P327 HydrophobicContact CD2-CG 3.8Å; F250-P327 HydrophobicContact CE2-CG 3.96Å; A251-P327 CarbonylContact C-O 3.46Å; A251-P327 VanDerWaalsContact C-O 3.25Å; A251-P327 VanDerWaalsContact CA-O 3.25Å; A251-P327 WeakPolarHBondContact CA-O 3.35Å; A251-P327 HydrophobicContact CB-CB 4.43Å; I252-P327 PolarHBondContact N-O 3.13Å; G253-P327 WeakPolarHBondContact CA-O 3.47Å; G253-P327 PolarHBondContact N-O 2.77Å; P327-D331 WeakPolarHBondContact CA-OD2 3.32Å; P327-D331 HydrophobicContact CB-CB 4.39Å; P327-L375 HydrophobicContact CB-CD2 4.18Å; P327-L378 HydrophobicContact CG-CB 4.22Å; P327-L378 HydrophobicContact CG-CD2 3.94Å; P327-L378 HydrophobicContact CG-CG 4.24Å
328	E	97.3	Very high	96.5	Very high	86 Å²	86	54.5 Å²	54.5	40%	0.402	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-84.6	155.1	174.7	-63.9	-67.2	164.3	0	0	110.5	G253 Q330 D331	G253-E328 WeakPolarHBondContact CA-OE2 3.44Å; E328-Q330 PolarHBondContact O-N 3.26Å; E328-Q330 VanDerWaalsContact O-N 3.13Å; E328-D331 PolarHBondContact N-OD2 3.27Å; E328-D331 VanDerWaalsContact O-CB 3.27Å; E328-D331 WeakPolarHBondContact O-CB 3.25Å; E328-D331 PolarHBondContact O-N 2.93Å
329	P	96.9	Very high	96.6	Very high	59 Å²	59	51.7 Å²	51.7	38%	0.383	27%	0.267	S	S	.	.	H	α-helix	trans	-54.8	-33.9	176.1	-23.8	29.4	0	0	0	113.5	A251 D331 V332 A333 P468	A251-P329 WeakPolarHBondContact O-CA 3.35Å; A251-P329 WeakPolarHBondContact O-CD 3.27Å; A251-P329 VanDerWaalsContact O-CG 3.24Å; A251-P329 WeakPolarHBondContact O-CG 3.47Å; P329-D331 PolarHBondContact O-N 2.78Å; P329-V332 PolarHBondContact O-N 3.48Å; P329-A333 PolarHBondContact O-N 3.4Å; P329-P468 HydrophobicContact CB-CG 4.36Å
330	Q	96.5	Very high	96.7	Very high	86 Å²	86	47.8 Å²	47.8	40%	0.402	25%	0.249	S	C	.	.	H	α-helix	trans	-65.1	-27	177.7	-170.7	60.8	48	0	0	112.3	E328 V332 A333 D334	E328-Q330 PolarHBondContact O-N 3.26Å; E328-Q330 VanDerWaalsContact O-N 3.13Å; Q330-V332 VanDerWaalsContact C-N 3.29Å; Q330-V332 PolarHBondContact O-N 2.89Å; Q330-A333 PolarHBondContact O-N 3.27Å; Q330-D334 PolarHBondContact NE2-OD1 3.44Å; Q330-D334 WeakPolarHBondContact O-CB 3.46Å; Q330-D334 PolarHBondContact O-N 2.89Å
331	D	97.8	Very high	96.9	Very high	35 Å²	35	44.4 Å²	44.4	19%	0.187	24%	0.236	C	C	.	.	H	α-helix	trans	-64.3	-38	179.2	-60.8	-20.8	0	0	0	110.8	P327 E328 P329 C335 P364 L375	P327-D331 WeakPolarHBondContact CA-OD2 3.32Å; P327-D331 HydrophobicContact CB-CB 4.39Å; E328-D331 PolarHBondContact N-OD2 3.27Å; E328-D331 VanDerWaalsContact O-CB 3.27Å; E328-D331 WeakPolarHBondContact O-CB 3.25Å; E328-D331 PolarHBondContact O-N 2.93Å; P329-D331 PolarHBondContact O-N 2.78Å; D331-C335 WeakPolarHBondContact O-CB 3.16Å; D331-C335 PolarHBondContact O-N 2.67Å; D331-P364 HydrophobicContact CB-CB 3.92Å; D331-P364 HydrophobicContact CB-CG 3.67Å; D331-P364 WeakPolarHBondContact OD1-CG 3.38Å; D331-L375 HydrophobicContact CB-CD2 3.86Å; D331-L375 HydrophobicContact CB-CG 4.4Å
332	V	98.1	Very high	97.2	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-68.2	-43	174.4	175.8	0	0	0	0	110.6	A251 P329 Q330 D334 C335 L336 L375 F405 I409 W467	A251-V332 HydrophobicContact CB-CG2 3.43Å; A251-V332 VanDerWaalsContact CB-CG2 3.43Å; P329-V332 PolarHBondContact O-N 3.48Å; Q330-V332 VanDerWaalsContact C-N 3.29Å; Q330-V332 PolarHBondContact O-N 2.89Å; V332-D334 PolarHBondContact O-N 3.47Å; V332-C335 PolarHBondContact O-N 3.49Å; V332-L336 HydrophobicContact CG1-CD1 3.94Å; V332-L336 HydrophobicContact CG1-CG 4.48Å; V332-L336 WeakPolarHBondContact O-CB 3.34Å; V332-L336 WeakPolarHBondContact O-CG 3.11Å; V332-L336 PolarHBondContact O-N 3.03Å; V332-L375 HydrophobicContact CG2-CD2 3.85Å; V332-F405 HydrophobicContact CG2-CE1 4.39Å; V332-I409 HydrophobicContact CG1-CD1 4.2Å; V332-I409 HydrophobicContact CG1-CG1 4.08Å; V332-I409 HydrophobicContact CG2-CD1 4.04Å; V332-W467 HydrophobicContact CG1-CE3 3.89Å; V332-W467 HydrophobicContact CG1-CZ3 3.87Å
333	A	96.6	Very high	97.4	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.033	20%	0.196	C	C	.	.	H	α-helix	trans	-61.9	-43.9	178.9	0	0	0	0	0	112.2	P329 Q330 Q337 P468	P329-A333 PolarHBondContact O-N 3.4Å; Q330-A333 PolarHBondContact O-N 3.27Å; A333-Q337 WeakPolarHBondContact O-CG 3.21Å; A333-P468 HydrophobicContact CB-CB 4.22Å
334	D	97.1	Very high	97.5	Very high	32 Å²	32	41.9 Å²	41.9	17%	0.171	23%	0.226	C	C	.	.	H	α-helix	trans	-66.4	-44	177.4	-77.3	-0.6	0	0	0	111.2	Q330 V332 L336 Q337 P364 K365	Q330-D334 PolarHBondContact NE2-OD1 3.44Å; Q330-D334 WeakPolarHBondContact O-CB 3.46Å; Q330-D334 PolarHBondContact O-N 2.89Å; V332-D334 PolarHBondContact O-N 3.47Å; D334-L336 VanDerWaalsContact C-N 3.32Å; D334-L336 PolarHBondContact O-N 2.78Å; D334-Q337 WeakPolarHBondContact O-CB 3.39Å; D334-Q337 PolarHBondContact O-N 3.29Å; D334-P364 CarbonylContact C-O 2.81Å; D334-P364 HydrophobicContact CB-CB 4.02Å; D334-K365 HydrophobicContact CB-CG 3.98Å; D334-K365 WeakPolarHBondContact OD2-CE 3.34Å; D334-K365 WeakPolarHBondContact OD2-CG 3.47Å
335	C	97.4	Very high	97.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.6	-40.5	178.9	174.3	0	0	0	0	112.1	D331 V332 Q337 V338 F354 T357 P364 L375	D331-C335 WeakPolarHBondContact O-CB 3.16Å; D331-C335 PolarHBondContact O-N 2.67Å; V332-C335 PolarHBondContact O-N 3.49Å; C335-Q337 PolarHBondContact O-N 2.81Å; C335-Q337 VanDerWaalsContact O-N 3.14Å; C335-V338 WeakPolarHBondContact O-CB 3.5Å; C335-V338 PolarHBondContact O-N 3.41Å; C335-F354 VanDerWaalsContact SG-CE2 3.58Å; C335-T357 HydrophobicContact CB-CG2 3.85Å; C335-P364 WeakPolarHBondContact CA-O 3.46Å; C335-P364 PolarHBondContact N-O 3.01Å; C335-L375 HydrophobicContact CB-CD1 3.58Å
336	L	97.6	Very high	97.5	Very high	1 Å²	1	37 Å²	37	1%	0.005	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-6.5	175.6	-73.3	170.5	0	0	0	114	V332 D334 I409 E412 W413 H417 W467	V332-L336 HydrophobicContact CG1-CD1 3.94Å; V332-L336 HydrophobicContact CG1-CG 4.48Å; V332-L336 WeakPolarHBondContact O-CB 3.34Å; V332-L336 WeakPolarHBondContact O-CG 3.11Å; V332-L336 PolarHBondContact O-N 3.03Å; D334-L336 VanDerWaalsContact C-N 3.32Å; D334-L336 PolarHBondContact O-N 2.78Å; L336-I409 HydrophobicContact CD2-CG2 3.95Å; L336-I409 HydrophobicContact CG-CG2 4.29Å; L336-E412 HydrophobicContact CD1-CG 4.05Å; L336-E412 HydrophobicContact CD2-CB 4.24Å; L336-E412 HydrophobicContact CD2-CG 3.96Å; L336-W413 HydrophobicContact CD2-CB 3.99Å; L336-H417 PolarHBondContact O-CE1 3.24Å; L336-H417 VanDerWaalsContact O-CE1 3.25Å; L336-W467 HydrophobicContact CD1-CD2 4.21Å; L336-W467 HydrophobicContact CD1-CE3 3.87Å; L336-W467 HydrophobicContact CD1-CZ3 4.46Å
337	Q	96.9	Very high	97.5	Very high	110 Å²	110	40 Å²	40	51%	0.514	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-12.5	171.1	-58.3	-55.9	-46.4	0	0	113.3	A333 D334 C335 G339	A333-Q337 WeakPolarHBondContact O-CG 3.21Å; D334-Q337 WeakPolarHBondContact O-CB 3.39Å; D334-Q337 PolarHBondContact O-N 3.29Å; C335-Q337 PolarHBondContact O-N 2.81Å; C335-Q337 VanDerWaalsContact O-N 3.14Å; Q337-G339 PolarHBondContact O-N 3.4Å
338	V	97.3	Very high	97.5	Very high	10 Å²	10	40.5 Å²	40.5	6%	0.061	23%	0.229	C	C	.	.			trans	-72.4	101.7	178.9	-175.8	0	0	0	0	108.4	C335 T340 F354 W413	C335-V338 WeakPolarHBondContact O-CB 3.5Å; C335-V338 PolarHBondContact O-N 3.41Å; V338-T340 PolarHBondContact O-N 3.31Å; V338-F354 HydrophobicContact CB-CB 4.21Å; V338-F354 HydrophobicContact CG1-CB 4.14Å; V338-W413 PolarHBondContact O-NE1 3.49Å
339	G	96.3	Very high	97.5	Very high	46 Å²	46	39 Å²	39	47%	0.474	23%	0.226	S	C	.	.			trans	-76.8	-16.5	-169.2	0	0	0	0	0	115.7	Q337 W413	Q337-G339 PolarHBondContact O-N 3.4Å; G339-W413 WeakPolarHBondContact O-CZ2 3.28Å
340	T	97.3	Very high	97.5	Very high	72 Å²	72	36.2 Å²	36.2	44%	0.442	21%	0.208	S	C	.	.			trans	-94.9	126.9	179.2	-50.9	0	0	0	0	109.8	V338 D342 T343 F354	V338-T340 PolarHBondContact O-N 3.31Å; T340-D342 VanDerWaalsContact CG2-O 3.32Å; T340-D342 WeakPolarHBondContact CG2-O 3.12Å; T340-T343 HydrophobicContact CG2-CG2 3.82Å; T340-F354 VanDerWaalsContact O-CB 3.29Å; T340-F354 WeakPolarHBondContact O-CB 3.21Å; T340-F354 PolarHBondContact O-N 3.26Å
341	F	98.5	Very high	97.6	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	21%	0.206	C	C	.	.	S	Bend	trans	-56.7	-55.7	180	177.3	-117.5	0	0	0	112.1	P217 L220 F354 R355 F410 W413 V423 Y424 F452	P217-F341 HydrophobicContact CB-CE1 4.11Å; L220-F341 HydrophobicContact CD1-CE2 3.85Å; F341-F354 HydrophobicContact CD2-CD1 4.17Å; F341-F354 PolarHBondContact O-N 2.7Å; F341-R355 HydrophobicContact CE2-CB 4.13Å; F341-R355 HydrophobicContact CZ-CB 4.22Å; F341-R355 HydrophobicContact CZ-CG 4.29Å; F341-R355 WeakPolarHBondContact O-CB 3.02Å; F341-R355 PolarHBondContact O-N 3.22Å; F341-F410 HydrophobicContact CE2-CE2 4.09Å; F341-W413 HydrophobicContact CB-CH2 3.52Å; F341-W413 HydrophobicContact CB-CZ2 4.07Å; F341-W413 HydrophobicContact CB-CZ3 4.11Å; F341-W413 HydrophobicContact CD2-CE3 4.4Å; F341-W413 HydrophobicContact CD2-CH2 4.08Å; F341-W413 AromaticContact CD2-CZ3 3.83Å; F341-W413 HydrophobicContact CD2-CZ3 3.83Å; F341-W413 HydrophobicContact CG-CH2 4.23Å; F341-W413 HydrophobicContact CG-CZ3 4.35Å; F341-V423 HydrophobicContact CB-CB 4.43Å; F341-V423 HydrophobicContact CB-CG2 3.69Å; F341-V423 HydrophobicContact CG-CG2 4.44Å; F341-Y424 HydrophobicContact CD1-CD2 4.07Å; F341-Y424 HydrophobicContact CD1-CG 4.44Å; F341-Y424 AromaticContact CE1-CD2 3.38Å; F341-Y424 HydrophobicContact CE1-CD2 3.38Å; F341-Y424 AromaticContact CE1-CE2 3.66Å; F341-Y424 HydrophobicContact CE1-CE2 3.66Å; F341-Y424 HydrophobicContact CE1-CG 4.07Å; F341-Y424 HydrophobicContact CZ-CD2 4.05Å; F341-Y424 HydrophobicContact CZ-CE2 4.04Å; F341-F452 HydrophobicContact CB-CZ 4.29Å; F341-F452 AromaticContact CD1-CE2 3.92Å; F341-F452 HydrophobicContact CD1-CE2 3.92Å; F341-F452 HydrophobicContact CD1-CZ 4.16Å; F341-F452 AromaticContact CD2-CE2 3.53Å; F341-F452 HydrophobicContact CD2-CE2 3.53Å; F341-F452 AromaticContact CD2-CZ 3.89Å; F341-F452 HydrophobicContact CD2-CZ 3.89Å; F341-F452 HydrophobicContact CE1-CD2 4.5Å; F341-F452 AromaticContact CE1-CE2 3.84Å; F341-F452 HydrophobicContact CE1-CE2 3.84Å; F341-F452 HydrophobicContact CE2-CD2 4.35Å; F341-F452 AromaticContact CE2-CE2 3.46Å; F341-F452 HydrophobicContact CE2-CE2 3.46Å; F341-F452 VanDerWaalsContact CE2-CE2 3.46Å; F341-F452 HydrophobicContact CE2-CZ 4.29Å; F341-F452 AromaticContact CG-CE2 3.77Å; F341-F452 HydrophobicContact CG-CE2 3.77Å; F341-F452 AromaticContact CG-CZ 3.82Å; F341-F452 HydrophobicContact CG-CZ 3.82Å; F341-F452 HydrophobicContact CZ-CD2 4.22Å; F341-F452 AromaticContact CZ-CE2 3.62Å; F341-F452 HydrophobicContact CZ-CE2 3.62Å
342	D	98.6	Very high	97.6	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.032	22%	0.217	C	C	.	.			trans	-149.9	161.4	176.6	-150.6	-8.6	0	0	0	111.1	P217 T340 F346 S353 R355	P217-D342 WeakPolarHBondContact CA-OD2 3.22Å; P217-D342 VanDerWaalsContact CD-OD2 3.22Å; P217-D342 WeakPolarHBondContact CD-OD2 3.4Å; P217-D342 HydrophobicContact CG-CB 4.5Å; P217-D342 WeakPolarHBondContact CG-OD2 3.14Å; T340-D342 VanDerWaalsContact CG2-O 3.32Å; T340-D342 WeakPolarHBondContact CG2-O 3.12Å; D342-F346 HydrophobicContact CB-CD1 4.15Å; D342-S353 WeakPolarHBondContact CA-OG 3.29Å; D342-S353 VanDerWaalsContact OD1-CB 3.31Å; D342-S353 WeakPolarHBondContact OD1-CB 3.15Å; D342-S353 PolarHBondContact OD1-OG 3.41Å; D342-R355 HydrophobicContact CB-CB 4.38Å; D342-R355 VanDerWaalsContact CG-NH2 3.34Å; D342-R355 IonicContact OD1-CZ 3.97Å; D342-R355 IonicContact OD1-NE 3.19Å; D342-R355 IonicContact OD1-NH2 2.79Å; D342-R355 PolarHBondContact OD1-NH2 3.15Å; D342-R355 IonicContact OD2-CZ 2.83Å; D342-R355 VanDerWaalsContact OD2-CZ 3.24Å; D342-R355 IonicContact OD2-NE 2.67Å; D342-R355 PolarHBondContact OD2-NE 2.67Å; D342-R355 IonicContact OD2-NH2 3.21Å; D342-R355 PolarHBondContact OD2-NH2 3.04Å
343	T	98.1	Very high	97.6	Very high	22 Å²	22	37.1 Å²	37.1	14%	0.135	22%	0.217	C	C	.	.			trans	-133.7	150.5	-176.7	55.2	0	0	0	0	110.4	T340 F346 S350 S351 E352	T340-T343 HydrophobicContact CG2-CG2 3.82Å; T343-F346 WeakPolarHBondContact O-CA 3.47Å; T343-F346 WeakPolarHBondContact O-CD1 3.41Å; T343-F346 PolarHBondContact O-N 3.24Å; T343-S350 WeakPolarHBondContact O-CB 3.29Å; T343-S350 PolarHBondContact O-OG 3.14Å; T343-S351 WeakPolarHBondContact CB-O 3.35Å; T343-S351 WeakPolarHBondContact CG2-O 3.39Å; T343-S351 PolarHBondContact OG1-O 3.02Å; T343-E352 HydrophobicContact CG2-CB 4.48Å; T343-E352 WeakPolarHBondContact CG2-O 3.33Å
344	P	97.2	Very high	97.7	Very high	98 Å²	98	36.9 Å²	36.9	64%	0.636	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	140.4	171.4	-26	34.1	0	0	0	111.6	F346	P344-F346 VanDerWaalsContact C-N 3.32Å; P344-F346 VanDerWaalsContact CA-N 3.35Å; P344-F346 HydrophobicContact CB-CE2 4.31Å; P344-F346 HydrophobicContact CB-CZ 4.42Å; P344-F346 HydrophobicContact CG-CE1 4.23Å; P344-F346 HydrophobicContact CG-CE2 3.96Å; P344-F346 HydrophobicContact CG-CZ 3.68Å
345	P	97.2	Very high	97.8	Very high	63 Å²	63	35.4 Å²	35.4	41%	0.409	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	cis	-87.9	20.7	10.6	37.1	-37	0	0	0	114.4	Y347	P345-Y347 PolarHBondContact O-N 3.39Å
346	F	98.1	Very high	97.8	Very high	38 Å²	38	35.4 Å²	35.4	17%	0.167	21%	0.207	C	C	.	.			trans	59.4	35.8	-179.1	-49.9	-66.4	0	0	0	112.4	G216 P217 D342 T343 P344 S350 P425 A429 P430	G216-F346 WeakPolarHBondContact CA-O 3.28Å; P217-F346 VanDerWaalsContact CD-O 3.29Å; P217-F346 WeakPolarHBondContact CD-O 3.23Å; P217-F346 HydrophobicContact CG-CB 3.82Å; P217-F346 HydrophobicContact CG-CD1 4.31Å; P217-F346 HydrophobicContact CG-CG 4.35Å; D342-F346 HydrophobicContact CB-CD1 4.15Å; T343-F346 WeakPolarHBondContact O-CA 3.47Å; T343-F346 WeakPolarHBondContact O-CD1 3.41Å; T343-F346 PolarHBondContact O-N 3.24Å; P344-F346 VanDerWaalsContact C-N 3.32Å; P344-F346 VanDerWaalsContact CA-N 3.35Å; P344-F346 HydrophobicContact CB-CE2 4.31Å; P344-F346 HydrophobicContact CB-CZ 4.42Å; P344-F346 HydrophobicContact CG-CE1 4.23Å; P344-F346 HydrophobicContact CG-CE2 3.96Å; P344-F346 HydrophobicContact CG-CZ 3.68Å; F346-S350 PolarHBondContact N-OG 2.82Å; F346-P425 HydrophobicContact CD1-CB 4.25Å; F346-P425 HydrophobicContact CD1-CG 3.78Å; F346-P425 HydrophobicContact CD2-CB 4.13Å; F346-P425 HydrophobicContact CD2-CG 4.26Å; F346-P425 HydrophobicContact CE1-CB 4.01Å; F346-P425 HydrophobicContact CE1-CG 3.95Å; F346-P425 HydrophobicContact CE2-CB 3.88Å; F346-P425 HydrophobicContact CE2-CG 4.41Å; F346-P425 HydrophobicContact CG-CB 4.3Å; F346-P425 HydrophobicContact CG-CG 3.94Å; F346-P425 HydrophobicContact CZ-CB 3.81Å; F346-P425 HydrophobicContact CZ-CG 4.25Å; F346-A429 HydrophobicContact CB-CB 4.28Å; F346-P430 WeakPolarHBondContact O-CD 3.49Å; F346-P430 WeakPolarHBondContact O-CG 3.37Å
347	Y	98.2	Very high	97.9	Very high	66 Å²	66	35.3 Å²	35.3	26%	0.259	21%	0.207	S	C	.	.	S	Bend	trans	-125.8	-177.6	-174.5	-162.4	-127.5	0	0	0	112.1	E215 P345 T349 S350 R355 N356 P430	E215-Y347 HydrophobicContact CB-CD2 4.09Å; E215-Y347 HydrophobicContact CB-CE2 3.69Å; E215-Y347 CarbonylContact O-C 3.4Å; E215-Y347 WeakPolarHBondContact O-CA 3.43Å; E215-Y347 WeakPolarHBondContact O-CD2 3.16Å; E215-Y347 WeakPolarHBondContact OE2-CE2 3.47Å; E215-Y347 PolarHBondContact OE2-OH 3.27Å; P345-Y347 PolarHBondContact O-N 3.39Å; Y347-T349 HydrophobicContact CD1-CG2 4.36Å; Y347-T349 PolarHBondContact O-N 2.97Å; Y347-T349 VanDerWaalsContact O-N 3.08Å; Y347-S350 PolarHBondContact N-OG 3.02Å; Y347-S350 WeakPolarHBondContact O-CB 3.08Å; Y347-S350 PolarHBondContact O-N 2.96Å; Y347-S350 VanDerWaalsContact O-N 3.17Å; Y347-S350 PolarHBondContact O-OG 3.31Å; Y347-R355 PolarHBondContact O-NH1 2.86Å; Y347-R355 PolarHBondContact O-NH2 3.31Å; Y347-N356 PolarHBondContact O-OD1 2.9Å; Y347-P430 HydrophobicContact CD2-CG 3.72Å; Y347-P430 HydrophobicContact CE2-CG 4.48Å
348	S	97.6	Very high	98	Very high	12 Å²	12	30.1 Å²	30.1	8%	0.084	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-10.5	173.7	50.9	0	0	0	0	114.1	E215 N356 Y361 Y368	E215-S348 PolarHBondContact O-N 2.99Å; E215-S348 WeakPolarHBondContact OE2-CB 3.27Å; E215-S348 PolarHBondContact OE2-OG 3.42Å; S348-N356 VanDerWaalsContact CA-OD1 3.29Å; S348-N356 WeakPolarHBondContact CA-OD1 3.28Å; S348-N356 PolarHBondContact O-ND2 2.03Å; S348-N356 PolarHBondContact O-OD1 3.03Å; S348-Y361 VanDerWaalsContact O-CB 3.27Å; S348-Y361 WeakPolarHBondContact O-CB 2.99Å; S348-Y368 WeakPolarHBondContact O-CD2 3.45Å; S348-Y368 WeakPolarHBondContact O-CE2 3.44Å
349	T	97.7	Very high	98.1	Very high	55 Å²	55	29.7 Å²	29.7	34%	0.337	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	8.5	178.2	57.6	0	0	0	0	114.3	Y347 Y368	Y347-T349 HydrophobicContact CD1-CG2 4.36Å; Y347-T349 PolarHBondContact O-N 2.97Å; Y347-T349 VanDerWaalsContact O-N 3.08Å; T349-Y368 HydrophobicContact CG2-CE1 4.18Å; T349-Y368 HydrophobicContact CG2-CE2 4.31Å
350	S	98.1	Very high	98.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.157	C	C	.	.			trans	-75.7	129.1	-174.7	-49	0	0	0	0	111.5	T343 F346 Y347 N356 S362	T343-S350 WeakPolarHBondContact O-CB 3.29Å; T343-S350 PolarHBondContact O-OG 3.14Å; F346-S350 PolarHBondContact N-OG 2.82Å; Y347-S350 PolarHBondContact N-OG 3.02Å; Y347-S350 WeakPolarHBondContact O-CB 3.08Å; Y347-S350 PolarHBondContact O-N 2.96Å; Y347-S350 VanDerWaalsContact O-N 3.17Å; Y347-S350 PolarHBondContact O-OG 3.31Å; S350-N356 PolarHBondContact N-ND2 2.86Å; S350-N356 PolarHBondContact O-ND2 3.22Å; S350-S362 PolarHBondContact O-OG 2.83Å; S350-S362 VanDerWaalsContact O-OG 3.11Å
351	S	97.9	Very high	98.2	Very high	50 Å²	50	25.5 Å²	25.5	35%	0.35	14%	0.142	S	C	.	.	S	Bend	trans	-99.2	153	174.6	-113.7	0	0	0	0	110.7	T343 S353 G366 Y368	T343-S351 WeakPolarHBondContact CB-O 3.35Å; T343-S351 WeakPolarHBondContact CG2-O 3.39Å; T343-S351 PolarHBondContact OG1-O 3.02Å; S351-S353 PolarHBondContact O-N 3.08Å; S351-G366 CarbonylContact C-O 2.7Å; S351-G366 WeakPolarHBondContact CA-O 3.47Å; S351-Y368 WeakPolarHBondContact OG-CB 3.42Å; S351-Y368 PolarHBondContact OG-N 2.88Å
352	E	97.6	Very high	98.2	Very high	93 Å²	93	25.5 Å²	25.5	44%	0.435	14%	0.141	S	C	.	.	S	Bend	trans	57.5	30.7	-177.6	-52.3	-56.9	133.6	0	0	112.8	T343 G366 N367	T343-E352 HydrophobicContact CG2-CB 4.48Å; T343-E352 WeakPolarHBondContact CG2-O 3.33Å; E352-G366 PolarHBondContact N-O 2.95Å; E352-N367 PolarHBondContact OE1-OD1 2.78Å
353	S	98.5	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.151	C	C	.	.			trans	-112.4	118.9	-179.4	161.9	0	0	0	0	109.7	D342 S351 R355 N356 T357	D342-S353 WeakPolarHBondContact CA-OG 3.29Å; D342-S353 VanDerWaalsContact OD1-CB 3.31Å; D342-S353 WeakPolarHBondContact OD1-CB 3.15Å; D342-S353 PolarHBondContact OD1-OG 3.41Å; S351-S353 PolarHBondContact O-N 3.08Å; S353-R355 VanDerWaalsContact C-N 3.34Å; S353-N356 PolarHBondContact O-N 3.23Å; S353-N356 WeakPolarHBondContact OG-CB 3.49Å; S353-N356 PolarHBondContact OG-N 3.4Å; S353-T357 WeakPolarHBondContact O-CB 3.35Å; S353-T357 PolarHBondContact O-N 3.32Å; S353-T357 PolarHBondContact O-OG1 2.74Å
354	F	98.8	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.6	-48	175	166	-104.9	0	0	0	110.6	L220 C335 V338 T340 F341 N356 T357 V358 I409 F410 W413	L220-F354 HydrophobicContact CD1-CD1 4.17Å; L220-F354 HydrophobicContact CD1-CE1 3.64Å; C335-F354 VanDerWaalsContact SG-CE2 3.58Å; V338-F354 HydrophobicContact CB-CB 4.21Å; V338-F354 HydrophobicContact CG1-CB 4.14Å; T340-F354 VanDerWaalsContact O-CB 3.29Å; T340-F354 WeakPolarHBondContact O-CB 3.21Å; T340-F354 PolarHBondContact O-N 3.26Å; F341-F354 HydrophobicContact CD2-CD1 4.17Å; F341-F354 PolarHBondContact O-N 2.7Å; F354-N356 PolarHBondContact O-N 3.42Å; F354-T357 WeakPolarHBondContact O-CB 3.43Å; F354-T357 PolarHBondContact O-N 3.34Å; F354-T357 VanDerWaalsContact O-N 3.1Å; F354-V358 HydrophobicContact CE1-CG1 4.12Å; F354-V358 HydrophobicContact CE2-CB 4.19Å; F354-V358 HydrophobicContact CE2-CG1 4.39Å; F354-V358 HydrophobicContact CZ-CB 4.21Å; F354-V358 HydrophobicContact CZ-CG1 4.02Å; F354-V358 WeakPolarHBondContact O-CG1 3.49Å; F354-V358 PolarHBondContact O-N 3.27Å; F354-I409 HydrophobicContact CE2-CG2 4.14Å; F354-I409 HydrophobicContact CZ-CG2 4.11Å; F354-F410 HydrophobicContact CE1-CD2 4.12Å; F354-W413 HydrophobicContact CD1-CB 4.33Å; F354-W413 AromaticContact CD1-CD1 3.84Å; F354-W413 AromaticContact CD1-CD2 3.63Å; F354-W413 HydrophobicContact CD1-CD2 3.63Å; F354-W413 AromaticContact CD1-CE2 3.89Å; F354-W413 HydrophobicContact CD1-CE3 4.1Å; F354-W413 AromaticContact CD1-CG 3.69Å; F354-W413 HydrophobicContact CD1-CG 3.69Å; F354-W413 AromaticContact CD1-NE1 3.93Å; F354-W413 HydrophobicContact CD2-CB 4.38Å; F354-W413 AromaticContact CD2-CD1 3.27Å; F354-W413 HydrophobicContact CD2-CD2 4.46Å; F354-W413 AromaticContact CD2-CG 3.81Å; F354-W413 HydrophobicContact CD2-CG 3.81Å; F354-W413 AromaticContact CD2-NE1 3.7Å; F354-W413 HydrophobicContact CE1-CB 3.71Å; F354-W413 AromaticContact CE1-CD2 3.82Å; F354-W413 HydrophobicContact CE1-CD2 3.82Å; F354-W413 HydrophobicContact CE1-CE3 4.17Å; F354-W413 AromaticContact CE1-CG 3.57Å; F354-W413 HydrophobicContact CE1-CG 3.57Å; F354-W413 HydrophobicContact CE2-CB 3.76Å; F354-W413 AromaticContact CE2-CD1 3.5Å; F354-W413 AromaticContact CE2-CG 3.69Å; F354-W413 HydrophobicContact CE2-CG 3.69Å; F354-W413 AromaticContact CG-CD1 3.45Å; F354-W413 VanDerWaalsContact CG-CD1 3.45Å; F354-W413 AromaticContact CG-CD2 3.98Å; F354-W413 HydrophobicContact CG-CD2 3.98Å; F354-W413 AromaticContact CG-CE2 3.85Å; F354-W413 AromaticContact CG-CG 3.8Å; F354-W413 HydrophobicContact CG-CG 3.8Å; F354-W413 AromaticContact CG-NE1 3.45Å; F354-W413 HydrophobicContact CZ-CB 3.38Å; F354-W413 AromaticContact CZ-CD1 3.89Å; F354-W413 HydrophobicContact CZ-CD2 4.32Å; F354-W413 AromaticContact CZ-CG 3.57Å; F354-W413 HydrophobicContact CZ-CG 3.57Å
355	R	98.8	Very high	98.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-53.7	-51.8	178.2	-175.9	-80.5	-59.7	165.3	5.8	110.7	G216 F219 L220 F341 D342 Y347 S353 T357 V358 E359	G216-R355 VanDerWaalsContact C-NE 3.26Å; G216-R355 VanDerWaalsContact CA-CZ 3.49Å; G216-R355 VanDerWaalsContact O-CD 3.25Å; G216-R355 WeakPolarHBondContact O-CD 3.46Å; G216-R355 PolarHBondContact O-NE 2.81Å; F219-R355 HydrophobicContact CB-CG 4.42Å; L220-R355 HydrophobicContact CD1-CB 4.41Å; L220-R355 HydrophobicContact CD1-CG 4.32Å; F341-R355 HydrophobicContact CE2-CB 4.13Å; F341-R355 HydrophobicContact CZ-CB 4.22Å; F341-R355 HydrophobicContact CZ-CG 4.29Å; F341-R355 WeakPolarHBondContact O-CB 3.02Å; F341-R355 PolarHBondContact O-N 3.22Å; D342-R355 HydrophobicContact CB-CB 4.38Å; D342-R355 VanDerWaalsContact CG-NH2 3.34Å; D342-R355 IonicContact OD1-CZ 3.97Å; D342-R355 IonicContact OD1-NE 3.19Å; D342-R355 IonicContact OD1-NH2 2.79Å; D342-R355 PolarHBondContact OD1-NH2 3.15Å; D342-R355 IonicContact OD2-CZ 2.83Å; D342-R355 VanDerWaalsContact OD2-CZ 3.24Å; D342-R355 IonicContact OD2-NE 2.67Å; D342-R355 PolarHBondContact OD2-NE 2.67Å; D342-R355 IonicContact OD2-NH2 3.21Å; D342-R355 PolarHBondContact OD2-NH2 3.04Å; Y347-R355 PolarHBondContact O-NH1 2.86Å; Y347-R355 PolarHBondContact O-NH2 3.31Å; S353-R355 VanDerWaalsContact C-N 3.34Å; R355-T357 VanDerWaalsContact C-N 3.27Å; R355-T357 PolarHBondContact O-N 3.04Å; R355-V358 WeakPolarHBondContact O-CG1 3.47Å; R355-V358 PolarHBondContact O-N 3.03Å; R355-E359 WeakPolarHBondContact CD-OE2 3.33Å; R355-E359 IonicContact CZ-OE2 3.59Å; R355-E359 IonicContact NE-OE2 2.98Å; R355-E359 IonicContact NH1-OE2 3.67Å; R355-E359 PolarHBondContact NH1-OE2 3.36Å; R355-E359 WeakPolarHBondContact O-CB 3.32Å; R355-E359 PolarHBondContact O-N 3.46Å
356	N	98.8	Very high	98	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-69.2	-27.4	-178	-155.5	49.6	0	0	0	112.8	Y347 S348 S350 S353 F354 G360 Y361 S362	Y347-N356 PolarHBondContact O-OD1 2.9Å; S348-N356 VanDerWaalsContact CA-OD1 3.29Å; S348-N356 WeakPolarHBondContact CA-OD1 3.28Å; S348-N356 PolarHBondContact O-ND2 2.03Å; S348-N356 PolarHBondContact O-OD1 3.03Å; S350-N356 PolarHBondContact N-ND2 2.86Å; S350-N356 PolarHBondContact O-ND2 3.22Å; S353-N356 PolarHBondContact O-N 3.23Å; S353-N356 WeakPolarHBondContact OG-CB 3.49Å; S353-N356 PolarHBondContact OG-N 3.4Å; F354-N356 PolarHBondContact O-N 3.42Å; N356-G360 PolarHBondContact O-N 3.24Å; N356-Y361 PolarHBondContact O-N 3.04Å; N356-S362 PolarHBondContact ND2-OG 3.37Å; N356-S362 VanDerWaalsContact ND2-OG 3.14Å; N356-S362 PolarHBondContact O-N 3.4Å
357	T	98.8	Very high	98	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-70.8	-53.5	175.1	-56.8	0	0	0	0	111.4	C335 S353 F354 R355 G360 A363 P364 G366 L375	C335-T357 HydrophobicContact CB-CG2 3.85Å; S353-T357 WeakPolarHBondContact O-CB 3.35Å; S353-T357 PolarHBondContact O-N 3.32Å; S353-T357 PolarHBondContact O-OG1 2.74Å; F354-T357 WeakPolarHBondContact O-CB 3.43Å; F354-T357 PolarHBondContact O-N 3.34Å; F354-T357 VanDerWaalsContact O-N 3.1Å; R355-T357 VanDerWaalsContact C-N 3.27Å; R355-T357 PolarHBondContact O-N 3.04Å; T357-G360 WeakPolarHBondContact O-CA 3.47Å; T357-G360 PolarHBondContact O-N 3.45Å; T357-G360 VanDerWaalsContact O-N 3.09Å; T357-A363 WeakPolarHBondContact CG2-O 3.45Å; T357-P364 WeakPolarHBondContact CG2-O 3.37Å; T357-G366 WeakPolarHBondContact OG1-CA 3.31Å; T357-L375 HydrophobicContact CG2-CD1 4.41Å
358	V	98.8	Very high	97.9	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-68.5	-36.2	-178.7	69.9	0	0	0	0	112	F219 L220 F354 R355 G360 L375 H376 T406 I409	F219-V358 HydrophobicContact CE1-CG1 4.48Å; L220-V358 HydrophobicContact CD1-CG1 3.85Å; L220-V358 HydrophobicContact CD2-CG1 3.86Å; L220-V358 HydrophobicContact CG-CG1 4.26Å; F354-V358 HydrophobicContact CE1-CG1 4.12Å; F354-V358 HydrophobicContact CE2-CB 4.19Å; F354-V358 HydrophobicContact CE2-CG1 4.39Å; F354-V358 HydrophobicContact CZ-CB 4.21Å; F354-V358 HydrophobicContact CZ-CG1 4.02Å; F354-V358 WeakPolarHBondContact O-CG1 3.49Å; F354-V358 PolarHBondContact O-N 3.27Å; R355-V358 WeakPolarHBondContact O-CG1 3.47Å; R355-V358 PolarHBondContact O-N 3.03Å; V358-G360 PolarHBondContact O-N 3.05Å; V358-L375 WeakPolarHBondContact O-CB 3.39Å; V358-H376 WeakPolarHBondContact O-CB 3.19Å; V358-H376 PolarHBondContact O-N 2.95Å; V358-T406 HydrophobicContact CG2-CG2 4.29Å; V358-I409 HydrophobicContact CG2-CB 4.26Å; V358-I409 HydrophobicContact CG2-CD1 4.36Å; V358-I409 HydrophobicContact CG2-CG2 3.81Å
359	E	98.8	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.8	-35.2	171.3	-173.2	171.4	-171.1	0	0	111.4	E215 F219 R355 Y361 H376 N377	E215-E359 PolarHBondContact N-OE1 2.9Å; F219-E359 HydrophobicContact CD1-CB 3.65Å; F219-E359 HydrophobicContact CD1-CG 3.85Å; F219-E359 HydrophobicContact CD2-CG 4.11Å; F219-E359 HydrophobicContact CE1-CB 3.59Å; F219-E359 HydrophobicContact CE1-CG 3.88Å; F219-E359 HydrophobicContact CE2-CG 4.13Å; F219-E359 HydrophobicContact CG-CB 4.29Å; F219-E359 HydrophobicContact CG-CG 3.99Å; F219-E359 HydrophobicContact CZ-CB 4.16Å; F219-E359 HydrophobicContact CZ-CG 4.03Å; R355-E359 WeakPolarHBondContact CD-OE2 3.33Å; R355-E359 IonicContact CZ-OE2 3.59Å; R355-E359 IonicContact NE-OE2 2.98Å; R355-E359 IonicContact NH1-OE2 3.67Å; R355-E359 PolarHBondContact NH1-OE2 3.36Å; R355-E359 WeakPolarHBondContact O-CB 3.32Å; R355-E359 PolarHBondContact O-N 3.46Å; E359-Y361 HydrophobicContact CB-CD2 4.44Å; E359-Y361 HydrophobicContact CG-CD2 3.84Å; E359-Y361 HydrophobicContact CG-CE2 3.82Å; E359-Y361 WeakPolarHBondContact OE1-CE2 3.09Å; E359-H376 WeakPolarHBondContact O-CB 3.33Å; E359-H376 PolarHBondContact O-ND1 3.26Å; E359-N377 WeakPolarHBondContact O-CB 3.44Å; E359-N377 PolarHBondContact O-N 2.97Å; E359-N377 PolarHBondContact O-ND2 3.06Å; E359-N377 PolarHBondContact O-OD1 3.17Å
360	G	98.4	Very high	97.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.6	26.7	167.5	0	0	0	0	0	114.9	N356 T357 V358 R373 S374 N377	N356-G360 PolarHBondContact O-N 3.24Å; T357-G360 WeakPolarHBondContact O-CA 3.47Å; T357-G360 PolarHBondContact O-N 3.45Å; T357-G360 VanDerWaalsContact O-N 3.09Å; V358-G360 PolarHBondContact O-N 3.05Å; G360-R373 WeakPolarHBondContact O-CA 3.42Å; G360-S374 VanDerWaalsContact CA-O 3.25Å; G360-S374 WeakPolarHBondContact CA-O 3.39Å; G360-S374 WeakPolarHBondContact CA-OG 3.45Å; G360-S374 PolarHBondContact O-N 3.35Å; G360-S374 VanDerWaalsContact O-N 3.13Å; G360-N377 PolarHBondContact O-ND2 3.22Å
361	Y	98.1	Very high	97.1	Very high	31 Å²	31	37.5 Å²	37.5	12%	0.122	20%	0.196	C	C	.	.	S	Bend	trans	-92.3	-20.2	169.9	-71.7	-80.9	0	0	0	112.7	E215 S348 N356 E359 N377	E215-Y361 HydrophobicContact CG-CE2 3.88Å; E215-Y361 WeakPolarHBondContact CG-OH 3.41Å; E215-Y361 PolarHBondContact OE1-OH 3.35Å; S348-Y361 VanDerWaalsContact O-CB 3.27Å; S348-Y361 WeakPolarHBondContact O-CB 2.99Å; N356-Y361 PolarHBondContact O-N 3.04Å; E359-Y361 HydrophobicContact CB-CD2 4.44Å; E359-Y361 HydrophobicContact CG-CD2 3.84Å; E359-Y361 HydrophobicContact CG-CE2 3.82Å; E359-Y361 WeakPolarHBondContact OE1-CE2 3.09Å; Y361-N377 WeakPolarHBondContact CD2-ND2 3.41Å; Y361-N377 VanDerWaalsContact CE2-ND2 3.28Å; Y361-N377 WeakPolarHBondContact CE2-ND2 3.36Å
362	S	98.1	Very high	96.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-102.5	159.3	172.7	-62.7	0	0	0	0	111.7	S350 N356 G366 N367 S374	S350-S362 PolarHBondContact O-OG 2.83Å; S350-S362 VanDerWaalsContact O-OG 3.11Å; N356-S362 PolarHBondContact ND2-OG 3.37Å; N356-S362 VanDerWaalsContact ND2-OG 3.14Å; N356-S362 PolarHBondContact O-N 3.4Å; S362-G366 PolarHBondContact OG-O 2.85Å; S362-N367 WeakPolarHBondContact CB-O 3.42Å; S362-S374 PolarHBondContact O-OG 3.4Å
363	A	97.2	Very high	96.7	Very high	28 Å²	28	35.8 Å²	35.8	23%	0.231	18%	0.182	C	C	.	.			trans	-60.9	153	164.7	0	0	0	0	0	110.1	T357 K365 G366 N367	T357-A363 WeakPolarHBondContact CG2-O 3.45Å; A363-K365 PolarHBondContact O-N 3.08Å; A363-G366 PolarHBondContact O-N 2.99Å; A363-N367 PolarHBondContact N-O 3.46Å
364	P	97.3	Very high	96.7	Very high	21 Å²	21	36 Å²	36	14%	0.136	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-18.4	-174.5	-29	35.5	0	0	0	116.1	D331 D334 C335 T357	D331-P364 HydrophobicContact CB-CB 3.92Å; D331-P364 HydrophobicContact CB-CG 3.67Å; D331-P364 WeakPolarHBondContact OD1-CG 3.38Å; D334-P364 CarbonylContact C-O 2.81Å; D334-P364 HydrophobicContact CB-CB 4.02Å; C335-P364 WeakPolarHBondContact CA-O 3.46Å; C335-P364 PolarHBondContact N-O 3.01Å; T357-P364 WeakPolarHBondContact CG2-O 3.37Å
365	K	96.7	Very high	96.7	Very high	136 Å²	136	36 Å²	36	59%	0.591	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	5.9	177.5	-64.4	-175.7	178.6	-177.4	0	114.9	D334 A363	D334-K365 HydrophobicContact CB-CG 3.98Å; D334-K365 WeakPolarHBondContact OD2-CE 3.34Å; D334-K365 WeakPolarHBondContact OD2-CG 3.47Å; A363-K365 PolarHBondContact O-N 3.08Å
366	G	96.4	Very high	96.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	105.3	-24.5	178	0	0	0	0	0	115.6	S351 E352 T357 S362 A363 Y368	S351-G366 CarbonylContact C-O 2.7Å; S351-G366 WeakPolarHBondContact CA-O 3.47Å; E352-G366 PolarHBondContact N-O 2.95Å; T357-G366 WeakPolarHBondContact OG1-CA 3.31Å; S362-G366 PolarHBondContact OG-O 2.85Å; A363-G366 PolarHBondContact O-N 2.99Å; G366-Y368 PolarHBondContact O-N 2.63Å
367	N	96.8	Very high	96.7	Very high	91 Å²	91	37 Å²	37	49%	0.487	19%	0.189	S	C	.	.			trans	-70.4	120.9	-175.8	-68.4	-59.7	0	0	0	112	E352 S362 A363	E352-N367 PolarHBondContact OE1-OD1 2.78Å; S362-N367 WeakPolarHBondContact CB-O 3.42Å; A363-N367 PolarHBondContact N-O 3.46Å
368	Y	96.9	Very high	96.7	Very high	81 Å²	81	37.7 Å²	37.7	32%	0.318	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-66.4	133.7	172.3	173.7	-109.7	0	0	0	111.5	S348 T349 S351 G366 P370	S348-Y368 WeakPolarHBondContact O-CD2 3.45Å; S348-Y368 WeakPolarHBondContact O-CE2 3.44Å; T349-Y368 HydrophobicContact CG2-CE1 4.18Å; T349-Y368 HydrophobicContact CG2-CE2 4.31Å; S351-Y368 WeakPolarHBondContact OG-CB 3.42Å; S351-Y368 PolarHBondContact OG-N 2.88Å; G366-Y368 PolarHBondContact O-N 2.63Å; Y368-P370 HydrophobicContact CE1-CB 4.49Å
369	D	92.5	Very high	96.7	Very high	65 Å²	65	37.7 Å²	37.7	35%	0.348	19%	0.192	S	C	.	.			trans	-142.8	121.9	169.9	179	-26	0	0	0	108.2	I371 V372	D369-I371 PolarHBondContact O-N 2.76Å; D369-I371 WeakPolarHBondContact OD1-CB 3.34Å; D369-I371 PolarHBondContact OD1-N 3.49Å; D369-V372 HydrophobicContact CB-CB 4.02Å; D369-V372 HydrophobicContact CB-CG2 3.62Å; D369-V372 PolarHBondContact O-N 3.43Å; D369-V372 VanDerWaalsContact O-N 3.11Å
370	P	92.4	Very high	96.7	Very high	80 Å²	80	38.4 Å²	38.4	52%	0.519	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.8	-176	23.6	-34.3	0	0	0	114.2	Y368 R373	Y368-P370 HydrophobicContact CE1-CB 4.49Å; P370-R373 PolarHBondContact O-NH1 3.48Å
371	I	92.1	Very high	96.7	Very high	111 Å²	111	40.4 Å²	40.4	57%	0.569	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-28.9	-177.1	-57.6	171.3	0	0	0	111.2	M322 D369	M322-I371 HydrophobicContact CE-CG2 3.85Å; M322-I371 HydrophobicContact SD-CG2 4.35Å; D369-I371 PolarHBondContact O-N 2.76Å; D369-I371 WeakPolarHBondContact OD1-CB 3.34Å; D369-I371 PolarHBondContact OD1-N 3.49Å
372	V	91.6	Very high	96.7	Very high	38 Å²	38	39 Å²	39	23%	0.23	20%	0.2	C	C	.	.			trans	-69.6	136.6	-175.2	170.2	0	0	0	0	111	D369	D369-V372 HydrophobicContact CB-CB 4.02Å; D369-V372 HydrophobicContact CB-CG2 3.62Å; D369-V372 PolarHBondContact O-N 3.43Å; D369-V372 VanDerWaalsContact O-N 3.11Å
373	R	95.8	Very high	96.8	Very high	68 Å²	68	39 Å²	39	26%	0.257	20%	0.2	S	C	.	.			trans	-129	122.9	159.7	-63.2	-65	-178.8	-80.2	2.7	106.9	G360 P370 N377 L381	G360-R373 WeakPolarHBondContact O-CA 3.42Å; P370-R373 PolarHBondContact O-NH1 3.48Å; R373-N377 HydrophobicContact CB-CB 4.43Å; R373-L381 HydrophobicContact CB-CD1 3.93Å; R373-L381 HydrophobicContact CG-CD1 3.71Å
374	S	97.7	Very high	96.8	Very high	5 Å²	5	39.9 Å²	39.9	4%	0.035	20%	0.201	C	C	.	.			trans	-126.2	175.9	-176.7	68	0	0	0	0	110	G360 S362 H376 N377 L378	G360-S374 VanDerWaalsContact CA-O 3.25Å; G360-S374 WeakPolarHBondContact CA-O 3.39Å; G360-S374 WeakPolarHBondContact CA-OG 3.45Å; G360-S374 PolarHBondContact O-N 3.35Å; G360-S374 VanDerWaalsContact O-N 3.13Å; S362-S374 PolarHBondContact O-OG 3.4Å; S374-H376 PolarHBondContact O-N 2.93Å; S374-N377 PolarHBondContact O-N 3.47Å; S374-L378 VanDerWaalsContact C-CB 3.41Å; S374-L378 WeakPolarHBondContact O-CB 3.33Å; S374-L378 PolarHBondContact O-N 3.08Å
375	L	98.6	Very high	96.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	41.3	-119.2	168.4	-64.6	170.4	0	0	0	113.9	P327 D331 V332 C335 T357 V358 L378 A379	P327-L375 HydrophobicContact CB-CD2 4.18Å; D331-L375 HydrophobicContact CB-CD2 3.86Å; D331-L375 HydrophobicContact CB-CG 4.4Å; V332-L375 HydrophobicContact CG2-CD2 3.85Å; C335-L375 HydrophobicContact CB-CD1 3.58Å; T357-L375 HydrophobicContact CG2-CD1 4.41Å; V358-L375 WeakPolarHBondContact O-CB 3.39Å; L375-L378 PolarHBondContact O-N 2.96Å; L375-A379 PolarHBondContact O-N 3.23Å
376	H	98.9	Very high	97	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.019	18%	0.176	C	C	.	.	H	α-helix	trans	-56.4	-54.8	-176.8	159	-89.6	0	0	0	112.7	F219 V358 E359 S374 L378 A379 H380 H403	F219-H376 AromaticContact CE2-CE1 3.56Å; F219-H376 AromaticContact CE2-NE2 3.59Å; F219-H376 HydrophobicContact CZ-CB 4.36Å; F219-H376 AromaticContact CZ-CD2 3.68Å; F219-H376 AromaticContact CZ-CE1 3.72Å; F219-H376 AromaticContact CZ-CG 3.7Å; F219-H376 AromaticContact CZ-ND1 3.73Å; F219-H376 AromaticContact CZ-NE2 3.67Å; V358-H376 WeakPolarHBondContact O-CB 3.19Å; V358-H376 PolarHBondContact O-N 2.95Å; E359-H376 WeakPolarHBondContact O-CB 3.33Å; E359-H376 PolarHBondContact O-ND1 3.26Å; S374-H376 PolarHBondContact O-N 2.93Å; H376-L378 VanDerWaalsContact C-N 3.26Å; H376-L378 PolarHBondContact O-N 3.3Å; H376-A379 PolarHBondContact O-N 2.8Å; H376-A379 VanDerWaalsContact O-N 3.11Å; H376-H380 AromaticContact CD2-CD2 3.58Å; H376-H380 AromaticContact CD2-NE2 3.52Å; H376-H380 AromaticContact CE1-CD2 3.59Å; H376-H380 AromaticContact CE1-NE2 3.84Å; H376-H380 AromaticContact NE2-CD2 3.32Å; H376-H380 PolarHBondContact NE2-CD2 2.82Å; H376-H380 VanDerWaalsContact NE2-CD2 3.32Å; H376-H380 AromaticContact NE2-NE2 3.13Å; H376-H380 PolarHBondContact NE2-NE2 3.33Å; H376-H380 VanDerWaalsContact NE2-NE2 3.13Å; H376-H380 PolarHBondContact O-CD2 3.17Å; H376-H380 VanDerWaalsContact O-CD2 3.32Å; H376-H380 PolarHBondContact O-N 3.3Å; H376-H403 AromaticContact CD2-CE1 3.53Å; H376-H403 AromaticContact CD2-NE2 3.92Å; H376-H403 AromaticContact NE2-CE1 3.02Å; H376-H403 PolarHBondContact NE2-CE1 2.78Å; H376-H403 AromaticContact NE2-ND1 3.98Å; H376-H403 AromaticContact NE2-NE2 3.38Å; H376-H403 PolarHBondContact NE2-NE2 2.81Å
377	N	98.8	Very high	97.1	Very high	18 Å²	18	33.5 Å²	33.5	10%	0.096	18%	0.176	C	C	.	.	H	α-helix	trans	-59.4	-38.6	179.8	-79.5	-17	0	0	0	111.9	E359 G360 Y361 R373 S374 H380 L381	E359-N377 WeakPolarHBondContact O-CB 3.44Å; E359-N377 PolarHBondContact O-N 2.97Å; E359-N377 PolarHBondContact O-ND2 3.06Å; E359-N377 PolarHBondContact O-OD1 3.17Å; G360-N377 PolarHBondContact O-ND2 3.22Å; Y361-N377 WeakPolarHBondContact CD2-ND2 3.41Å; Y361-N377 VanDerWaalsContact CE2-ND2 3.28Å; Y361-N377 WeakPolarHBondContact CE2-ND2 3.36Å; R373-N377 HydrophobicContact CB-CB 4.43Å; S374-N377 PolarHBondContact O-N 3.47Å; N377-H380 PolarHBondContact O-N 3.1Å; N377-L381 WeakPolarHBondContact O-CB 3.13Å; N377-L381 WeakPolarHBondContact O-CG 3.49Å; N377-L381 PolarHBondContact O-N 3.31Å
378	L	98.7	Very high	97.1	Very high	14 Å²	14	30.3 Å²	30.3	7%	0.073	17%	0.165	C	C	.	.	H	α-helix	trans	-65.1	-43.7	176.5	-178.2	55.5	0	0	0	111.5	M322 V323 R325 P327 S374 L375 H376 H380 L381 F382	M322-L378 WeakPolarHBondContact O-CD1 3.46Å; V323-L378 HydrophobicContact CB-CD1 4.07Å; V323-L378 HydrophobicContact CG1-CD1 4.11Å; R325-L378 WeakPolarHBondContact O-CD1 3.26Å; R325-L378 WeakPolarHBondContact O-CG 3.49Å; P327-L378 HydrophobicContact CG-CB 4.22Å; P327-L378 HydrophobicContact CG-CD2 3.94Å; P327-L378 HydrophobicContact CG-CG 4.24Å; S374-L378 VanDerWaalsContact C-CB 3.41Å; S374-L378 WeakPolarHBondContact O-CB 3.33Å; S374-L378 PolarHBondContact O-N 3.08Å; L375-L378 PolarHBondContact O-N 2.96Å; H376-L378 VanDerWaalsContact C-N 3.26Å; H376-L378 PolarHBondContact O-N 3.3Å; L378-H380 VanDerWaalsContact C-N 3.34Å; L378-H380 PolarHBondContact O-N 3.49Å; L378-L381 PolarHBondContact O-N 2.76Å; L378-F382 WeakPolarHBondContact O-CB 3.42Å; L378-F382 PolarHBondContact O-N 2.95Å
379	A	98.8	Very high	97.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.3	-40.2	177.2	0	0	0	0	0	112.1	F250 L375 H376 L402	F250-A379 HydrophobicContact CB-CB 4.21Å; F250-A379 HydrophobicContact CD1-CB 3.95Å; F250-A379 HydrophobicContact CD2-CB 3.95Å; F250-A379 HydrophobicContact CE1-CB 4.27Å; F250-A379 HydrophobicContact CE2-CB 4.31Å; F250-A379 HydrophobicContact CG-CB 3.78Å; F250-A379 HydrophobicContact CZ-CB 4.45Å; L375-A379 PolarHBondContact O-N 3.23Å; H376-A379 PolarHBondContact O-N 2.8Å; H376-A379 VanDerWaalsContact O-N 3.11Å; A379-L402 HydrophobicContact CB-CD1 3.65Å; A379-L402 HydrophobicContact CB-CG 4.07Å
380	H	98.8	Very high	97.4	Very high	15 Å²	15	30.9 Å²	30.9	7%	0.069	17%	0.174	C	C	.	.	H	α-helix	trans	-63.3	-51.4	172.6	-82.2	-74.2	0	0	0	112.5	H376 N377 L378 F382 L383 G387 G388 F399 L402 H403	H376-H380 AromaticContact CD2-CD2 3.58Å; H376-H380 AromaticContact CD2-NE2 3.52Å; H376-H380 AromaticContact CE1-CD2 3.59Å; H376-H380 AromaticContact CE1-NE2 3.84Å; H376-H380 AromaticContact NE2-CD2 3.32Å; H376-H380 PolarHBondContact NE2-CD2 2.82Å; H376-H380 VanDerWaalsContact NE2-CD2 3.32Å; H376-H380 AromaticContact NE2-NE2 3.13Å; H376-H380 PolarHBondContact NE2-NE2 3.33Å; H376-H380 VanDerWaalsContact NE2-NE2 3.13Å; H376-H380 PolarHBondContact O-CD2 3.17Å; H376-H380 VanDerWaalsContact O-CD2 3.32Å; H376-H380 PolarHBondContact O-N 3.3Å; N377-H380 PolarHBondContact O-N 3.1Å; L378-H380 VanDerWaalsContact C-N 3.34Å; L378-H380 PolarHBondContact O-N 3.49Å; H380-F382 VanDerWaalsContact C-N 3.26Å; H380-F382 PolarHBondContact O-N 3.25Å; H380-L383 WeakPolarHBondContact O-CB 3.43Å; H380-L383 PolarHBondContact O-N 2.6Å; H380-G387 PolarHBondContact ND1-O 3.4Å; H380-G388 WeakPolarHBondContact O-CA 3.44Å; H380-F399 AromaticContact CE1-CD2 3.63Å; H380-F399 AromaticContact CE1-CE2 3.93Å; H380-L402 WeakPolarHBondContact NE2-CD2 3.32Å; H380-H403 AromaticContact CE1-NE2 3.67Å; H380-H403 AromaticContact NE2-CD2 3.91Å; H380-H403 AromaticContact NE2-NE2 3.21Å; H380-H403 PolarHBondContact NE2-NE2 3.32Å
381	L	98.6	Very high	97.6	Very high	42 Å²	42	29.2 Å²	29.2	22%	0.22	16%	0.159	C	C	.	.	H	α-helix	trans	-67	-29.4	-176.6	-67.7	170.5	0	0	0	112.5	V323 R373 N377 L378 L383 N384	V323-L381 HydrophobicContact CB-CB 3.87Å; V323-L381 HydrophobicContact CG1-CB 3.79Å; V323-L381 HydrophobicContact CG1-CD1 3.94Å; V323-L381 HydrophobicContact CG2-CB 4.3Å; R373-L381 HydrophobicContact CB-CD1 3.93Å; R373-L381 HydrophobicContact CG-CD1 3.71Å; N377-L381 WeakPolarHBondContact O-CB 3.13Å; N377-L381 WeakPolarHBondContact O-CG 3.49Å; N377-L381 PolarHBondContact O-N 3.31Å; L378-L381 PolarHBondContact O-N 2.76Å; L381-L383 PolarHBondContact O-N 2.9Å; L381-N384 PolarHBondContact O-N 2.6Å; L381-N384 VanDerWaalsContact O-N 3.15Å
382	F	98.8	Very high	97.9	Very high	1 Å²	1	24.1 Å²	24.1	0%	0.004	13%	0.133	C	C	.	.	H	α-helix	trans	-58.5	-34.1	174.7	172.8	-100.1	0	0	0	112.8	C257 P314 A315 V323 L326 L378 H380 N384	C257-F382 HydrophobicContact CB-CE1 4.06Å; P314-F382 CarbonylContact C-O 3.32Å; P314-F382 VanDerWaalsContact CA-O 3.28Å; P314-F382 WeakPolarHBondContact CA-O 3.19Å; P314-F382 HydrophobicContact CB-CD1 4.3Å; P314-F382 HydrophobicContact CB-CE1 3.68Å; P314-F382 HydrophobicContact CB-CZ 3.98Å; A315-F382 HydrophobicContact CB-CD2 4.31Å; A315-F382 HydrophobicContact CB-CE2 3.62Å; A315-F382 HydrophobicContact CB-CZ 4.21Å; A315-F382 PolarHBondContact N-O 3.02Å; V323-F382 VanDerWaalsContact O-CA 3.3Å; V323-F382 WeakPolarHBondContact O-CA 3.5Å; L326-F382 HydrophobicContact CD1-CD1 4.46Å; L326-F382 HydrophobicContact CD1-CE1 4.04Å; L326-F382 HydrophobicContact CD1-CZ 4.24Å; L326-F382 HydrophobicContact CD2-CB 4.05Å; L326-F382 HydrophobicContact CD2-CD1 3.5Å; L326-F382 HydrophobicContact CD2-CD2 4.25Å; L326-F382 HydrophobicContact CD2-CE1 3.93Å; L326-F382 HydrophobicContact CD2-CG 3.67Å; L326-F382 HydrophobicContact CD2-CZ 4.49Å; L326-F382 HydrophobicContact CG-CD1 3.9Å; L326-F382 HydrophobicContact CG-CD2 4.13Å; L326-F382 HydrophobicContact CG-CE1 3.85Å; L326-F382 HydrophobicContact CG-CE2 4.09Å; L326-F382 HydrophobicContact CG-CG 4.03Å; L326-F382 HydrophobicContact CG-CZ 3.96Å; L378-F382 WeakPolarHBondContact O-CB 3.42Å; L378-F382 PolarHBondContact O-N 2.95Å; H380-F382 VanDerWaalsContact C-N 3.26Å; H380-F382 PolarHBondContact O-N 3.25Å; F382-N384 PolarHBondContact O-N 2.68Å
383	L	98.6	Very high	98.2	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-22.5	179.3	-60.3	177.5	0	0	0	113.2	R312 N313 H380 L381 G385 I398	R312-L383 HydrophobicContact CG-CB 4.35Å; R312-L383 HydrophobicContact CG-CD2 4.45Å; N313-L383 CarbonylContact C-O 3.26Å; N313-L383 VanDerWaalsContact C-O 3.31Å; N313-L383 PolarHBondContact N-O 3.05Å; H380-L383 WeakPolarHBondContact O-CB 3.43Å; H380-L383 PolarHBondContact O-N 2.6Å; L381-L383 PolarHBondContact O-N 2.9Å; L383-G385 PolarHBondContact O-N 2.96Å; L383-I398 HydrophobicContact CD1-CB 4.27Å; L383-I398 HydrophobicContact CD1-CG2 3.92Å; L383-I398 HydrophobicContact CD2-CD1 3.92Å; L383-I398 HydrophobicContact CD2-CG2 4.33Å
384	N	98.6	Very high	98.4	Very high	47 Å²	47	19.2 Å²	19.2	25%	0.251	11%	0.111	S	C	.	.			trans	42.9	63.9	175.3	-178.1	52.5	0	0	0	112.8	N313 N317 L381 F382	N313-N384 WeakPolarHBondContact O-CB 3.37Å; N317-N384 HydrophobicContact CB-CB 4.22Å; N317-N384 PolarHBondContact N-ND2 3.25Å; L381-N384 PolarHBondContact O-N 2.6Å; L381-N384 VanDerWaalsContact O-N 3.15Å; F382-N384 PolarHBondContact O-N 2.68Å
385	G	98.3	Very high	98.4	Very high	15 Å²	15	19.1 Å²	19.1	16%	0.155	11%	0.11	C	C	.	.	S	Bend	trans	178.9	-147.8	-174.7	0	0	0	0	0	111.9	R311 L383 G387 G388	R311-G385 CarbonylContact O-C 3.46Å; R311-G385 VanDerWaalsContact O-CA 3.31Å; R311-G385 WeakPolarHBondContact O-CA 3.45Å; L383-G385 PolarHBondContact O-N 2.96Å; G385-G387 VanDerWaalsContact C-N 3.32Å; G385-G387 PolarHBondContact O-N 3.17Å; G385-G388 PolarHBondContact O-N 3.34Å
386	T	98.8	Very high	98.4	Very high	6 Å²	6	19.1 Å²	19.1	4%	0.037	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-51.9	-48.4	177.1	-57.8	0	0	0	0	111.4	V287 R311 G388 Q389 L392 S393 N395	V287-T386 HydrophobicContact CG1-CG2 4.13Å; R311-T386 PolarHBondContact N-OG1 3.08Å; R311-T386 PolarHBondContact O-N 3.36Å; R311-T386 PolarHBondContact O-OG1 3.47Å; T386-G388 PolarHBondContact O-N 3.4Å; T386-G388 VanDerWaalsContact O-N 3.09Å; T386-Q389 PolarHBondContact O-N 3.05Å; T386-L392 HydrophobicContact CG2-CB 4.12Å; T386-S393 WeakPolarHBondContact O-CA 3.19Å; T386-N395 HydrophobicContact CG2-CB 3.73Å
387	G	98.5	Very high	98.4	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.01	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-63.1	-13.3	178.5	0	0	0	0	0	115.7	H380 G385 S393	H380-G387 PolarHBondContact ND1-O 3.4Å; G385-G387 VanDerWaalsContact C-N 3.32Å; G385-G387 PolarHBondContact O-N 3.17Å; G387-S393 WeakPolarHBondContact O-CB 3.41Å
388	G	97.5	Very high	98.4	Very high	24 Å²	24	18 Å²	18	25%	0.247	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-100.9	5.3	179.5	0	0	0	0	0	114.6	H380 G385 T386	H380-G388 WeakPolarHBondContact O-CA 3.44Å; G385-G388 PolarHBondContact O-N 3.34Å; T386-G388 PolarHBondContact O-N 3.4Å; T386-G388 VanDerWaalsContact O-N 3.09Å
389	Q	98.2	Very high	98.5	Very high	86 Å²	86	17.5 Å²	17.5	40%	0.402	10%	0.101	S	C	.	.	S	Bend	trans	-113.5	118	179.7	-67.5	177.7	67.7	0	0	109.3	T386 H391 L392 S393	T386-Q389 PolarHBondContact O-N 3.05Å; Q389-H391 PolarHBondContact O-N 3.45Å; Q389-H391 PolarHBondContact OE1-CE1 2.68Å; Q389-L392 HydrophobicContact CB-CB 4.21Å; Q389-L392 CarbonylContact O-C 3.58Å; Q389-L392 PolarHBondContact O-N 2.87Å; Q389-S393 WeakPolarHBondContact O-CA 3.42Å; Q389-S393 WeakPolarHBondContact O-CB 3.21Å; Q389-S393 PolarHBondContact O-N 3.01Å
390	T	97.1	Very high	98.5	Very high	73 Å²	73	17.5 Å²	17.5	45%	0.448	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	-48.5	-55.5	-171.8	-49.3	0	0	0	0	112.5	H191 V195 L392 S393	H191-T390 PolarHBondContact CE1-O 2.89Å; H191-T390 PolarHBondContact ND1-O 3.47Å; V195-T390 HydrophobicContact CB-CG2 4.08Å; V195-T390 HydrophobicContact CG1-CG2 3.88Å; V195-T390 HydrophobicContact CG2-CG2 4.16Å; T390-L392 PolarHBondContact O-N 3.07Å; T390-L392 VanDerWaalsContact O-N 3.08Å; T390-S393 PolarHBondContact O-N 3.39Å; T390-S393 PolarHBondContact O-OG 3.1Å
391	H	96.4	Very high	98.5	Very high	44 Å²	44	16.8 Å²	16.8	20%	0.204	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-63.3	-14.2	-179.5	71.3	-73	0	0	0	116.3	Y192 V195 V292 Q389	Y192-H391 HydrophobicContact CD2-CB 4.23Å; V195-H391 HydrophobicContact CG2-CB 4.36Å; V292-H391 HydrophobicContact CG1-CB 4.4Å; V292-H391 WeakPolarHBondContact CG1-CD2 3.23Å; Q389-H391 PolarHBondContact O-N 3.45Å; Q389-H391 PolarHBondContact OE1-CE1 2.68Å
392	L	98.3	Very high	98.5	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.021	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-119.8	-15.6	-176.7	-78.7	173.6	0	0	0	114	V288 E290 T386 Q389 T390 P394 N395	V288-L392 VanDerWaalsContact O-CD2 3.24Å; V288-L392 WeakPolarHBondContact O-CD2 3.45Å; E290-L392 HydrophobicContact CB-CD2 4.15Å; E290-L392 HydrophobicContact CG-CD1 4.37Å; T386-L392 HydrophobicContact CG2-CB 4.12Å; Q389-L392 HydrophobicContact CB-CB 4.21Å; Q389-L392 CarbonylContact O-C 3.58Å; Q389-L392 PolarHBondContact O-N 2.87Å; T390-L392 PolarHBondContact O-N 3.07Å; T390-L392 VanDerWaalsContact O-N 3.08Å; L392-P394 VanDerWaalsContact C-N 3.32Å; L392-P394 WeakPolarHBondContact O-CD 3.41Å; L392-P394 VanDerWaalsContact O-N 3.11Å; L392-N395 WeakPolarHBondContact CD2-ND2 3.31Å; L392-N395 VanDerWaalsContact O-CB 3.25Å; L392-N395 WeakPolarHBondContact O-CB 3.31Å; L392-N395 PolarHBondContact O-N 3.4Å; L392-N395 PolarHBondContact O-ND2 3.14Å
393	S	98.8	Very high	98.5	Very high	4 Å²	4	14.9 Å²	14.9	3%	0.028	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-53	-37.3	-163.5	59.3	0	0	0	0	115.2	T386 G387 Q389 T390 N395 D396 F399	T386-S393 WeakPolarHBondContact O-CA 3.19Å; G387-S393 WeakPolarHBondContact O-CB 3.41Å; Q389-S393 WeakPolarHBondContact O-CA 3.42Å; Q389-S393 WeakPolarHBondContact O-CB 3.21Å; Q389-S393 PolarHBondContact O-N 3.01Å; T390-S393 PolarHBondContact O-N 3.39Å; T390-S393 PolarHBondContact O-OG 3.1Å; S393-N395 PolarHBondContact O-N 2.66Å; S393-D396 WeakPolarHBondContact O-CB 3.42Å; S393-D396 PolarHBondContact O-N 2.85Å; S393-D396 VanDerWaalsContact O-N 3.17Å; S393-F399 WeakPolarHBondContact OG-CD2 3.39Å; S393-F399 WeakPolarHBondContact OG-CE2 3.33Å
394	P	98.9	Very high	98.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-72.3	-13.5	179.6	-8.1	23.3	0	0	0	114.2	Y184 F187 V188 H191 L392 D396 F399	Y184-P394 WeakPolarHBondContact CE1-O 3.42Å; Y184-P394 VanDerWaalsContact CZ-O 3.32Å; Y184-P394 PolarHBondContact OH-O 3.39Å; F187-P394 HydrophobicContact CD1-CB 3.96Å; F187-P394 HydrophobicContact CE1-CB 3.76Å; V188-P394 HydrophobicContact CG2-CB 4.15Å; H191-P394 HydrophobicContact CB-CG 3.6Å; L392-P394 VanDerWaalsContact C-N 3.32Å; L392-P394 WeakPolarHBondContact O-CD 3.41Å; L392-P394 VanDerWaalsContact O-N 3.11Å; P394-D396 PolarHBondContact O-N 2.96Å; P394-F399 HydrophobicContact CB-CB 4.4Å; P394-F399 HydrophobicContact CB-CD1 3.9Å; P394-F399 HydrophobicContact CB-CD2 3.98Å; P394-F399 HydrophobicContact CB-CE1 4.13Å; P394-F399 HydrophobicContact CB-CE2 4.22Å; P394-F399 HydrophobicContact CB-CG 3.84Å; P394-F399 HydrophobicContact CB-CZ 4.29Å; P394-F399 HydrophobicContact CG-CD1 4.36Å; P394-F399 HydrophobicContact CG-CD2 3.89Å; P394-F399 HydrophobicContact CG-CE1 4.17Å; P394-F399 HydrophobicContact CG-CE2 3.7Å; P394-F399 HydrophobicContact CG-CG 4.24Å; P394-F399 HydrophobicContact CG-CZ 3.85Å
395	N	98.9	Very high	98.5	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.011	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-60.5	-27.4	171.6	-76	-77.4	0	0	0	111.7	V188 V287 V288 I310 T386 L392 S393	V188-N395 VanDerWaalsContact CG1-ND2 3.29Å; V188-N395 WeakPolarHBondContact CG1-ND2 2.94Å; V287-N395 WeakPolarHBondContact CA-OD1 3.29Å; V287-N395 HydrophobicContact CB-CB 4.04Å; V287-N395 HydrophobicContact CG1-CB 3.8Å; V288-N395 PolarHBondContact N-OD1 2.96Å; V288-N395 PolarHBondContact O-ND2 3.37Å; I310-N395 VanDerWaalsContact CD1-O 3.26Å; I310-N395 WeakPolarHBondContact CD1-O 3.02Å; T386-N395 HydrophobicContact CG2-CB 3.73Å; L392-N395 WeakPolarHBondContact CD2-ND2 3.31Å; L392-N395 VanDerWaalsContact O-CB 3.25Å; L392-N395 WeakPolarHBondContact O-CB 3.31Å; L392-N395 PolarHBondContact O-N 3.4Å; L392-N395 PolarHBondContact O-ND2 3.14Å; S393-N395 PolarHBondContact O-N 2.66Å
396	D	98.9	Very high	98.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-84	116.8	170.1	-170.5	-39.2	0	0	0	109.7	I310 R312 S393 P394 I398 F399	I310-D396 HydrophobicContact CG2-CB 4.36Å; R312-D396 IonicContact CZ-OD1 3.36Å; R312-D396 VanDerWaalsContact CZ-OD1 3.26Å; R312-D396 IonicContact CZ-OD2 3.24Å; R312-D396 IonicContact NE-OD1 3.36Å; R312-D396 PolarHBondContact NE-OD1 3.48Å; R312-D396 IonicContact NE-OD2 2.8Å; R312-D396 PolarHBondContact NE-OD2 2.71Å; R312-D396 IonicContact NH2-OD1 2.72Å; R312-D396 PolarHBondContact NH2-OD1 2.79Å; R312-D396 IonicContact NH2-OD2 2.69Å; R312-D396 PolarHBondContact NH2-OD2 3.14Å; S393-D396 WeakPolarHBondContact O-CB 3.42Å; S393-D396 PolarHBondContact O-N 2.85Å; S393-D396 VanDerWaalsContact O-N 3.17Å; P394-D396 PolarHBondContact O-N 2.96Å; D396-I398 PolarHBondContact O-N 3.19Å; D396-I398 WeakPolarHBondContact OD1-CB 3.15Å; D396-I398 PolarHBondContact OD1-N 3.12Å; D396-F399 WeakPolarHBondContact O-CB 3.41Å; D396-F399 PolarHBondContact O-N 3.39Å
397	P	98.9	Very high	98.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-7.2	-175.7	27.9	-34.5	0	0	0	115.1	L147 Y184 M265 F282 W285 F399 V400	L147-P397 HydrophobicContact CD1-CB 4.06Å; Y184-P397 VanDerWaalsContact OH-CA 3.27Å; Y184-P397 WeakPolarHBondContact OH-CA 3.31Å; M265-P397 HydrophobicContact CE-CB 3.66Å; M265-P397 HydrophobicContact CE-CG 3.89Å; M265-P397 VanDerWaalsContact CE-O 3.28Å; M265-P397 WeakPolarHBondContact CE-O 3.26Å; F282-P397 HydrophobicContact CD1-CB 4.47Å; F282-P397 HydrophobicContact CD1-CG 3.57Å; F282-P397 HydrophobicContact CD2-CG 4.18Å; F282-P397 HydrophobicContact CE1-CB 4.1Å; F282-P397 HydrophobicContact CE1-CG 3.65Å; F282-P397 HydrophobicContact CE2-CG 4.24Å; F282-P397 HydrophobicContact CG-CG 3.85Å; F282-P397 HydrophobicContact CZ-CB 4.32Å; F282-P397 HydrophobicContact CZ-CG 3.99Å; W285-P397 HydrophobicContact CE3-CG 4.44Å; W285-P397 HydrophobicContact CH2-CB 4.16Å; W285-P397 HydrophobicContact CH2-CG 4.41Å; W285-P397 HydrophobicContact CZ3-CB 3.98Å; W285-P397 HydrophobicContact CZ3-CG 4.03Å; P397-F399 PolarHBondContact O-N 3.11Å; P397-V400 PolarHBondContact O-N 2.87Å
398	I	98.9	Very high	98.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.4	-28.3	165.8	-68.5	-177.2	0	0	0	110.9	W248 I259 M265 R312 L383 D396 V400 L401 L402	W248-I398 HydrophobicContact CE3-CG2 3.71Å; W248-I398 HydrophobicContact CZ3-CG2 3.54Å; I259-I398 HydrophobicContact CD1-CD1 4.12Å; I259-I398 HydrophobicContact CD1-CG1 3.97Å; I259-I398 HydrophobicContact CD1-CG2 4.1Å; I259-I398 HydrophobicContact CG1-CD1 4.48Å; M265-I398 HydrophobicContact CB-CD1 4.24Å; M265-I398 HydrophobicContact CB-CG1 3.86Å; M265-I398 HydrophobicContact CE-CG1 4.41Å; M265-I398 HydrophobicContact CG-CG1 4.07Å; R312-I398 VanDerWaalsContact CZ-CD1 3.49Å; L383-I398 HydrophobicContact CD1-CB 4.27Å; L383-I398 HydrophobicContact CD1-CG2 3.92Å; L383-I398 HydrophobicContact CD2-CD1 3.92Å; L383-I398 HydrophobicContact CD2-CG2 4.33Å; D396-I398 PolarHBondContact O-N 3.19Å; D396-I398 WeakPolarHBondContact OD1-CB 3.15Å; D396-I398 PolarHBondContact OD1-N 3.12Å; I398-V400 PolarHBondContact O-N 3.31Å; I398-L401 PolarHBondContact O-N 3.3Å; I398-L401 VanDerWaalsContact O-N 3.1Å; I398-L402 WeakPolarHBondContact O-CB 3.4Å; I398-L402 PolarHBondContact O-N 3.45Å
399	F	98.9	Very high	98.6	Very high	3 Å²	3	11.1 Å²	11.1	1%	0.013	6%	0.058	C	C	.	.	H	α-helix	trans	-50.2	-44.8	176.2	-175.7	-79.5	0	0	0	112.2	F187 H191 H223 H226 H380 S393 P394 D396 P397 L401 L402 H403	F187-F399 AromaticContact CE1-CD1 3.56Å; F187-F399 HydrophobicContact CE1-CD1 3.56Å; F187-F399 AromaticContact CE1-CE1 3.89Å; F187-F399 HydrophobicContact CE1-CE1 3.89Å; F187-F399 AromaticContact CZ-CD1 3.51Å; F187-F399 HydrophobicContact CZ-CD1 3.51Å; F187-F399 AromaticContact CZ-CE1 3.54Å; F187-F399 HydrophobicContact CZ-CE1 3.54Å; H191-F399 AromaticContact CD2-CZ 3.66Å; H191-F399 AromaticContact NE2-CE2 3.84Å; H191-F399 AromaticContact NE2-CZ 3.8Å; H223-F399 AromaticContact CD2-CZ 3.86Å; H223-F399 AromaticContact NE2-CZ 4Å; H226-F399 AromaticContact CE1-CE1 3.73Å; H226-F399 AromaticContact ND1-CE1 3.67Å; H380-F399 AromaticContact CE1-CD2 3.63Å; H380-F399 AromaticContact CE1-CE2 3.93Å; S393-F399 WeakPolarHBondContact OG-CD2 3.39Å; S393-F399 WeakPolarHBondContact OG-CE2 3.33Å; P394-F399 HydrophobicContact CB-CB 4.4Å; P394-F399 HydrophobicContact CB-CD1 3.9Å; P394-F399 HydrophobicContact CB-CD2 3.98Å; P394-F399 HydrophobicContact CB-CE1 4.13Å; P394-F399 HydrophobicContact CB-CE2 4.22Å; P394-F399 HydrophobicContact CB-CG 3.84Å; P394-F399 HydrophobicContact CB-CZ 4.29Å; P394-F399 HydrophobicContact CG-CD1 4.36Å; P394-F399 HydrophobicContact CG-CD2 3.89Å; P394-F399 HydrophobicContact CG-CE1 4.17Å; P394-F399 HydrophobicContact CG-CE2 3.7Å; P394-F399 HydrophobicContact CG-CG 4.24Å; P394-F399 HydrophobicContact CG-CZ 3.85Å; D396-F399 WeakPolarHBondContact O-CB 3.41Å; D396-F399 PolarHBondContact O-N 3.39Å; P397-F399 PolarHBondContact O-N 3.11Å; F399-L401 PolarHBondContact O-N 3.47Å; F399-L402 PolarHBondContact O-N 3.16Å; F399-H403 AromaticContact CD1-CD2 3.55Å; F399-H403 AromaticContact CD2-CD2 3.72Å; F399-H403 AromaticContact CD2-NE2 3.76Å; F399-H403 HydrophobicContact CE1-CB 4.49Å; F399-H403 AromaticContact CE1-CD2 3.32Å; F399-H403 WeakPolarHBondContact CE1-CD2 3.03Å; F399-H403 AromaticContact CE1-CG 3.94Å; F399-H403 AromaticContact CE1-NE2 3.76Å; F399-H403 AromaticContact CE2-CD2 3.47Å; F399-H403 VanDerWaalsContact CE2-CD2 3.47Å; F399-H403 WeakPolarHBondContact CE2-CD2 3.42Å; F399-H403 AromaticContact CE2-NE2 3.15Å; F399-H403 WeakPolarHBondContact CE2-NE2 3.44Å; F399-H403 AromaticContact CG-CD2 3.74Å; F399-H403 AromaticContact CZ-CD2 3.27Å; F399-H403 WeakPolarHBondContact CZ-CD2 3.28Å; F399-H403 AromaticContact CZ-CE1 3.93Å; F399-H403 AromaticContact CZ-NE2 3.16Å; F399-H403 WeakPolarHBondContact CZ-NE2 3.5Å; F399-H403 WeakPolarHBondContact O-CB 3.47Å; F399-H403 PolarHBondContact O-CD2 2.91Å; F399-H403 PolarHBondContact O-N 3.45Å
400	V	98.9	Very high	98.7	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-58.4	-50.6	179.8	178	0	0	0	0	110.7	L147 Y184 F187 L227 L230 L245 P397 I398 T404	L147-V400 HydrophobicContact CD2-CG2 4.47Å; Y184-V400 HydrophobicContact CE2-CG2 4Å; F187-V400 HydrophobicContact CE1-CG2 3.89Å; F187-V400 HydrophobicContact CZ-CG2 4.07Å; L227-V400 HydrophobicContact CD2-CG1 4.43Å; L230-V400 HydrophobicContact CD2-CG1 4.24Å; L230-V400 HydrophobicContact CD2-CG2 3.68Å; L245-V400 HydrophobicContact CB-CG1 4.43Å; L245-V400 HydrophobicContact CD1-CG1 4.04Å; L245-V400 HydrophobicContact CD2-CG1 3.89Å; L245-V400 HydrophobicContact CG-CG1 4.35Å; P397-V400 PolarHBondContact O-N 2.87Å; I398-V400 PolarHBondContact O-N 3.31Å; V400-T404 WeakPolarHBondContact O-CG2 3.13Å; V400-T404 PolarHBondContact O-N 3.02Å; V400-T404 PolarHBondContact O-OG1 2.99Å; V400-T404 VanDerWaalsContact O-OG1 3.05Å
401	L	98.9	Very high	98.8	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-69.6	-34.6	-177.7	-62	172.3	0	0	0	112.9	V132 F143 P246 W248 I259 M265 I398 F399 T404 F405	V132-L401 HydrophobicContact CB-CD2 4.06Å; V132-L401 HydrophobicContact CG1-CD1 4.39Å; V132-L401 HydrophobicContact CG1-CD2 4.43Å; V132-L401 HydrophobicContact CG2-CD1 4.49Å; V132-L401 HydrophobicContact CG2-CD2 4.11Å; F143-L401 HydrophobicContact CE1-CD1 4.38Å; F143-L401 HydrophobicContact CE1-CD2 3.79Å; F143-L401 HydrophobicContact CE1-CG 4.29Å; F143-L401 HydrophobicContact CZ-CD2 3.79Å; F143-L401 HydrophobicContact CZ-CG 4.32Å; P246-L401 HydrophobicContact CB-CD2 4.25Å; P246-L401 HydrophobicContact CG-CD2 3.75Å; P246-L401 WeakPolarHBondContact O-CD2 3.3Å; W248-L401 HydrophobicContact CB-CB 3.62Å; W248-L401 PolarHBondContact N-O 2.96Å; I259-L401 HydrophobicContact CD1-CD1 3.83Å; M265-L401 HydrophobicContact CE-CD1 3.76Å; M265-L401 HydrophobicContact CE-CG 4.46Å; M265-L401 HydrophobicContact CG-CD1 3.69Å; M265-L401 HydrophobicContact SD-CD1 3.56Å; M265-L401 VanDerWaalsContact SD-CD1 3.56Å; I398-L401 PolarHBondContact O-N 3.3Å; I398-L401 VanDerWaalsContact O-N 3.1Å; F399-L401 PolarHBondContact O-N 3.47Å; L401-T404 WeakPolarHBondContact CA-OG1 3.35Å; L401-T404 PolarHBondContact O-OG1 3.49Å; L401-F405 PolarHBondContact O-N 2.86Å
402	L	98.9	Very high	98.8	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-65.8	-51.2	176.7	-174.1	164.5	0	0	0	109.5	W248 F250 A379 H380 I398 F399 F405 T406	W248-L402 HydrophobicContact CE3-CB 4.41Å; F250-L402 HydrophobicContact CD1-CG 4Å; F250-L402 HydrophobicContact CE1-CD2 4.15Å; F250-L402 HydrophobicContact CE1-CG 4Å; A379-L402 HydrophobicContact CB-CD1 3.65Å; A379-L402 HydrophobicContact CB-CG 4.07Å; H380-L402 WeakPolarHBondContact NE2-CD2 3.32Å; I398-L402 WeakPolarHBondContact O-CB 3.4Å; I398-L402 PolarHBondContact O-N 3.45Å; F399-L402 PolarHBondContact O-N 3.16Å; L402-F405 PolarHBondContact O-N 3.36Å; L402-T406 PolarHBondContact O-N 3.27Å; L402-T406 PolarHBondContact O-OG1 3.28Å
403	H	98.9	Very high	98.8	Very high	2 Å²	2	2.6 Å²	2.6	1%	0.009	1%	0.013	C	C	.	.	H	α-helix	trans	-71.9	-30.9	-178.2	-81.2	-85.1	0	0	0	113.3	H223 L227 H376 H380 F399 F405 T406 D407	H223-H403 AromaticContact CD2-CE1 3.08Å; H223-H403 PolarHBondContact CD2-CE1 3.09Å; H223-H403 AromaticContact CD2-CG 3.99Å; H223-H403 AromaticContact CD2-ND1 3.23Å; H223-H403 PolarHBondContact CD2-ND1 3.13Å; H223-H403 AromaticContact CD2-NE2 3.79Å; H223-H403 AromaticContact CG-CE1 3.6Å; H223-H403 AromaticContact CG-ND1 3.46Å; H223-H403 AromaticContact NE2-CE1 3.4Å; H223-H403 PolarHBondContact NE2-CE1 3.16Å; L227-H403 HydrophobicContact CD1-CB 4.03Å; L227-H403 HydrophobicContact CD2-CB 4.16Å; L227-H403 HydrophobicContact CG-CB 4.34Å; H376-H403 AromaticContact CD2-CE1 3.53Å; H376-H403 AromaticContact CD2-NE2 3.92Å; H376-H403 AromaticContact NE2-CE1 3.02Å; H376-H403 PolarHBondContact NE2-CE1 2.78Å; H376-H403 AromaticContact NE2-ND1 3.98Å; H376-H403 AromaticContact NE2-NE2 3.38Å; H376-H403 PolarHBondContact NE2-NE2 2.81Å; H380-H403 AromaticContact CE1-NE2 3.67Å; H380-H403 AromaticContact NE2-CD2 3.91Å; H380-H403 AromaticContact NE2-NE2 3.21Å; H380-H403 PolarHBondContact NE2-NE2 3.32Å; F399-H403 AromaticContact CD1-CD2 3.55Å; F399-H403 AromaticContact CD2-CD2 3.72Å; F399-H403 AromaticContact CD2-NE2 3.76Å; F399-H403 HydrophobicContact CE1-CB 4.49Å; F399-H403 AromaticContact CE1-CD2 3.32Å; F399-H403 WeakPolarHBondContact CE1-CD2 3.03Å; F399-H403 AromaticContact CE1-CG 3.94Å; F399-H403 AromaticContact CE1-NE2 3.76Å; F399-H403 AromaticContact CE2-CD2 3.47Å; F399-H403 VanDerWaalsContact CE2-CD2 3.47Å; F399-H403 WeakPolarHBondContact CE2-CD2 3.42Å; F399-H403 AromaticContact CE2-NE2 3.15Å; F399-H403 WeakPolarHBondContact CE2-NE2 3.44Å; F399-H403 AromaticContact CG-CD2 3.74Å; F399-H403 AromaticContact CZ-CD2 3.27Å; F399-H403 WeakPolarHBondContact CZ-CD2 3.28Å; F399-H403 AromaticContact CZ-CE1 3.93Å; F399-H403 AromaticContact CZ-NE2 3.16Å; F399-H403 WeakPolarHBondContact CZ-NE2 3.5Å; F399-H403 WeakPolarHBondContact O-CB 3.47Å; F399-H403 PolarHBondContact O-CD2 2.91Å; F399-H403 PolarHBondContact O-N 3.45Å; H403-F405 VanDerWaalsContact C-N 3.26Å; H403-F405 PolarHBondContact O-N 2.9Å; H403-T406 PolarHBondContact O-N 3.05Å; H403-D407 WeakPolarHBondContact O-CB 3.44Å; H403-D407 PolarHBondContact O-N 3.12Å
404	T	98.9	Very high	98.8	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-64.7	-32	171.9	47.9	0	0	0	0	111.8	L227 L245 P246 Y247 V400 L401 A408 Y463	L227-T404 HydrophobicContact CD1-CG2 3.88Å; L227-T404 HydrophobicContact CD2-CG2 3.84Å; L227-T404 HydrophobicContact CG-CG2 4.38Å; L245-T404 HydrophobicContact CB-CG2 3.77Å; L245-T404 HydrophobicContact CD1-CG2 4.4Å; P246-T404 PolarHBondContact O-OG1 3.4Å; Y247-T404 WeakPolarHBondContact CA-OG1 3.33Å; Y247-T404 WeakPolarHBondContact CB-OG1 3.47Å; V400-T404 WeakPolarHBondContact O-CG2 3.13Å; V400-T404 PolarHBondContact O-N 3.02Å; V400-T404 PolarHBondContact O-OG1 2.99Å; V400-T404 VanDerWaalsContact O-OG1 3.05Å; L401-T404 WeakPolarHBondContact CA-OG1 3.35Å; L401-T404 PolarHBondContact O-OG1 3.49Å; T404-A408 PolarHBondContact O-N 3.08Å; T404-Y463 WeakPolarHBondContact O-CE1 3.34Å; T404-Y463 PolarHBondContact O-OH 2.9Å
405	F	98.9	Very high	98.7	Very high	7 Å²	7	10.1 Å²	10.1	3%	0.031	4%	0.042	C	C	.	.	H	α-helix	trans	-74.7	-38.7	173.1	-170.9	-121.6	0	0	0	112.4	Y247 W248 N249 F250 A251 V332 L401 L402 H403 D407 A408 I409 W467	Y247-F405 HydrophobicContact CD2-CB 4.16Å; Y247-F405 AromaticContact CD2-CD2 3.46Å; Y247-F405 HydrophobicContact CD2-CD2 3.46Å; Y247-F405 VanDerWaalsContact CD2-CD2 3.46Å; Y247-F405 HydrophobicContact CD2-CE2 4.25Å; Y247-F405 HydrophobicContact CD2-CG 4.15Å; Y247-F405 AromaticContact CE2-CD2 3.77Å; Y247-F405 HydrophobicContact CE2-CD2 3.77Å; Y247-F405 HydrophobicContact CE2-CE2 4.11Å; Y247-F405 HydrophobicContact CG-CD2 4.31Å; W248-F405 WeakPolarHBondContact O-CB 3.14Å; W248-F405 WeakPolarHBondContact O-CD1 3.15Å; W248-F405 VanDerWaalsContact O-CG 3.29Å; W248-F405 WeakPolarHBondContact O-CG 3.25Å; N249-F405 HydrophobicContact CB-CD2 4.48Å; N249-F405 HydrophobicContact CB-CE1 4.44Å; N249-F405 HydrophobicContact CB-CE2 4.08Å; N249-F405 HydrophobicContact CB-CZ 4.06Å; N249-F405 WeakPolarHBondContact OD1-CE1 3.38Å; N249-F405 WeakPolarHBondContact OD1-CZ 3.21Å; F250-F405 HydrophobicContact CD1-CB 4.47Å; F250-F405 AromaticContact CD1-CD1 3.75Å; F250-F405 HydrophobicContact CD1-CD1 3.75Å; F250-F405 HydrophobicContact CD2-CD1 4.37Å; F250-F405 HydrophobicContact CD2-CE1 4.48Å; F250-F405 HydrophobicContact CE1-CB 4.29Å; F250-F405 AromaticContact CE1-CD1 3.6Å; F250-F405 HydrophobicContact CE1-CD1 3.6Å; F250-F405 HydrophobicContact CE1-CE1 4.5Å; F250-F405 HydrophobicContact CE1-CG 4.44Å; F250-F405 HydrophobicContact CE2-CD1 4.22Å; F250-F405 HydrophobicContact CE2-CE1 4.36Å; F250-F405 HydrophobicContact CG-CD1 4.14Å; F250-F405 AromaticContact CZ-CD1 3.84Å; F250-F405 HydrophobicContact CZ-CD1 3.84Å; F250-F405 HydrophobicContact CZ-CE1 4.37Å; A251-F405 HydrophobicContact CB-CE1 4.14Å; V332-F405 HydrophobicContact CG2-CE1 4.39Å; L401-F405 PolarHBondContact O-N 2.86Å; L402-F405 PolarHBondContact O-N 3.36Å; H403-F405 VanDerWaalsContact C-N 3.26Å; H403-F405 PolarHBondContact O-N 2.9Å; F405-D407 VanDerWaalsContact C-N 3.29Å; F405-D407 PolarHBondContact O-N 2.87Å; F405-A408 HydrophobicContact CD2-CB 4.43Å; F405-A408 WeakPolarHBondContact O-CB 3.48Å; F405-A408 PolarHBondContact O-N 3.38Å; F405-A408 VanDerWaalsContact O-N 3.15Å; F405-I409 HydrophobicContact CD1-CD1 4.18Å; F405-I409 HydrophobicContact CE1-CD1 3.97Å; F405-I409 HydrophobicContact CZ-CD1 4.41Å; F405-I409 WeakPolarHBondContact O-CG1 3.35Å; F405-I409 PolarHBondContact O-N 3.19Å; F405-W467 HydrophobicContact CE2-CH2 4.44Å; F405-W467 HydrophobicContact CE2-CZ3 4.23Å; F405-W467 HydrophobicContact CZ-CZ3 4.43Å
406	T	98.9	Very high	98.5	Very high	3 Å²	3	14.1 Å²	14.1	2%	0.018	6%	0.057	C	C	.	.	H	α-helix	trans	-57.7	-43	170.3	-57.9	0	0	0	0	111.5	F219 L220 V358 L402 H403 I409 F410	F219-T406 HydrophobicContact CE1-CG2 4.09Å; F219-T406 HydrophobicContact CZ-CG2 4.02Å; L220-T406 HydrophobicContact CD2-CG2 3.85Å; V358-T406 HydrophobicContact CG2-CG2 4.29Å; L402-T406 PolarHBondContact O-N 3.27Å; L402-T406 PolarHBondContact O-OG1 3.28Å; H403-T406 PolarHBondContact O-N 3.05Å; T406-I409 PolarHBondContact O-N 3.32Å; T406-F410 PolarHBondContact O-N 3.41Å
407	D	98.9	Very high	98.4	Very high	5 Å²	5	17.3 Å²	17.3	3%	0.027	7%	0.071	C	C	.	.	H	α-helix	trans	-67.1	-33.8	175.4	-178	49.2	0	0	0	112.6	R129 R224 L227 H403 F405 I409 F410 D411 Y461 Y463	R129-D407 IonicContact NH1-OD2 2.82Å; R129-D407 PolarHBondContact NH1-OD2 3.46Å; R129-D407 VanDerWaalsContact NH1-OD2 3.1Å; R224-D407 IonicContact CZ-OD1 3.64Å; R224-D407 VanDerWaalsContact CZ-OD1 3.25Å; R224-D407 IonicContact NE-OD1 3.7Å; R224-D407 PolarHBondContact NE-OD1 3.48Å; R224-D407 IonicContact NH2-OD1 3.62Å; R224-D407 PolarHBondContact NH2-OD1 2.95Å; L227-D407 HydrophobicContact CD1-CB 4.07Å; H403-D407 WeakPolarHBondContact O-CB 3.44Å; H403-D407 PolarHBondContact O-N 3.12Å; F405-D407 VanDerWaalsContact C-N 3.29Å; F405-D407 PolarHBondContact O-N 2.87Å; D407-I409 VanDerWaalsContact C-N 3.34Å; D407-F410 PolarHBondContact O-N 3.35Å; D407-D411 WeakPolarHBondContact O-CB 3.26Å; D407-D411 PolarHBondContact O-N 3.38Å; D407-Y461 WeakPolarHBondContact OD2-CE2 3.46Å; D407-Y461 PolarHBondContact OD2-OH 3.18Å; D407-Y463 WeakPolarHBondContact CB-OH 3.24Å; D407-Y463 PolarHBondContact OD2-OH 3.16Å
408	A	98.9	Very high	98.1	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.008	10%	0.101	C	C	.	.	H	α-helix	trans	-61.8	-43.2	172.1	0	0	0	0	0	111.4	T404 F405 F410 D411 E412 Y463 W467	T404-A408 PolarHBondContact O-N 3.08Å; F405-A408 HydrophobicContact CD2-CB 4.43Å; F405-A408 WeakPolarHBondContact O-CB 3.48Å; F405-A408 PolarHBondContact O-N 3.38Å; F405-A408 VanDerWaalsContact O-N 3.15Å; A408-F410 VanDerWaalsContact C-N 3.31Å; A408-F410 PolarHBondContact O-N 3.2Å; A408-D411 PolarHBondContact O-N 3.13Å; A408-E412 WeakPolarHBondContact O-CB 3.24Å; A408-E412 PolarHBondContact O-N 3.32Å; A408-Y463 HydrophobicContact CB-CD1 3.59Å; A408-Y463 HydrophobicContact CB-CD2 3.89Å; A408-Y463 HydrophobicContact CB-CE1 3.65Å; A408-Y463 HydrophobicContact CB-CE2 3.94Å; A408-Y463 HydrophobicContact CB-CG 3.72Å; A408-W467 HydrophobicContact CB-CH2 3.78Å; A408-W467 HydrophobicContact CB-CZ2 4.05Å; A408-W467 WeakPolarHBondContact O-CH2 3.3Å; A408-W467 WeakPolarHBondContact O-CZ2 3.38Å
409	I	98.8	Very high	97.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.5	-41.4	177	-63.8	165.1	0	0	0	109.9	V332 L336 F354 V358 F405 T406 D407 W413 W467	V332-I409 HydrophobicContact CG1-CD1 4.2Å; V332-I409 HydrophobicContact CG1-CG1 4.08Å; V332-I409 HydrophobicContact CG2-CD1 4.04Å; L336-I409 HydrophobicContact CD2-CG2 3.95Å; L336-I409 HydrophobicContact CG-CG2 4.29Å; F354-I409 HydrophobicContact CE2-CG2 4.14Å; F354-I409 HydrophobicContact CZ-CG2 4.11Å; V358-I409 HydrophobicContact CG2-CB 4.26Å; V358-I409 HydrophobicContact CG2-CD1 4.36Å; V358-I409 HydrophobicContact CG2-CG2 3.81Å; F405-I409 HydrophobicContact CD1-CD1 4.18Å; F405-I409 HydrophobicContact CE1-CD1 3.97Å; F405-I409 HydrophobicContact CZ-CD1 4.41Å; F405-I409 WeakPolarHBondContact O-CG1 3.35Å; F405-I409 PolarHBondContact O-N 3.19Å; T406-I409 PolarHBondContact O-N 3.32Å; D407-I409 VanDerWaalsContact C-N 3.34Å; I409-W413 WeakPolarHBondContact O-CB 3.39Å; I409-W413 PolarHBondContact O-N 3.2Å; I409-W467 HydrophobicContact CB-CH2 4.29Å; I409-W467 HydrophobicContact CB-CZ3 4.4Å; I409-W467 HydrophobicContact CG1-CH2 3.77Å; I409-W467 HydrophobicContact CG1-CZ3 3.59Å
410	F	98.9	Very high	97.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.4	-45.8	175.7	174.7	-141.9	0	0	0	112.7	L220 T221 R224 F341 F354 T406 D407 A408 E412 W413 L414 F452	L220-F410 HydrophobicContact CB-CD1 3.78Å; L220-F410 HydrophobicContact CB-CD2 4.26Å; L220-F410 HydrophobicContact CB-CE1 3.94Å; L220-F410 HydrophobicContact CB-CE2 4.4Å; L220-F410 HydrophobicContact CB-CG 3.94Å; L220-F410 HydrophobicContact CB-CZ 4.25Å; L220-F410 HydrophobicContact CD1-CB 4.22Å; L220-F410 HydrophobicContact CD1-CD2 3.74Å; L220-F410 HydrophobicContact CD1-CE2 4.24Å; L220-F410 HydrophobicContact CD1-CG 3.96Å; L220-F410 HydrophobicContact CD2-CB 4.03Å; L220-F410 HydrophobicContact CD2-CG 4.34Å; L220-F410 HydrophobicContact CG-CB 4.48Å; L220-F410 HydrophobicContact CG-CG 4.29Å; T221-F410 HydrophobicContact CG2-CE1 4.34Å; T221-F410 HydrophobicContact CG2-CZ 4.24Å; R224-F410 VanDerWaalsContact NH2-CD1 3.35Å; F341-F410 HydrophobicContact CE2-CE2 4.09Å; F354-F410 HydrophobicContact CE1-CD2 4.12Å; T406-F410 PolarHBondContact O-N 3.41Å; D407-F410 PolarHBondContact O-N 3.35Å; A408-F410 VanDerWaalsContact C-N 3.31Å; A408-F410 PolarHBondContact O-N 3.2Å; F410-E412 VanDerWaalsContact C-N 3.33Å; F410-E412 PolarHBondContact O-N 3.21Å; F410-W413 WeakPolarHBondContact O-CB 3.28Å; F410-W413 PolarHBondContact O-N 3.44Å; F410-L414 HydrophobicContact CD2-CD1 4.13Å; F410-L414 HydrophobicContact CD2-CG 3.99Å; F410-L414 HydrophobicContact CE1-CD1 4.11Å; F410-L414 HydrophobicContact CE2-CD1 3.67Å; F410-L414 HydrophobicContact CE2-CD2 3.82Å; F410-L414 HydrophobicContact CE2-CG 3.61Å; F410-L414 HydrophobicContact CZ-CD1 3.66Å; F410-L414 HydrophobicContact CZ-CD2 4.27Å; F410-L414 HydrophobicContact CZ-CG 4.12Å; F410-L414 WeakPolarHBondContact O-CG 3.47Å; F410-L414 PolarHBondContact O-N 3.06Å; F410-F452 HydrophobicContact CE2-CD2 4.05Å; F410-F452 AromaticContact CE2-CE2 3.86Å; F410-F452 HydrophobicContact CE2-CE2 3.86Å; F410-F452 AromaticContact CZ-CD2 3.72Å; F410-F452 HydrophobicContact CZ-CD2 3.72Å; F410-F452 HydrophobicContact CZ-CE2 4.02Å
411	D	98.7	Very high	97.3	Very high	14 Å²	14	30.4 Å²	30.4	8%	0.075	16%	0.157	C	C	.	.	H	α-helix	trans	-62.7	-41.5	178.5	-162	56.4	0	0	0	112	R224 D407 A408 W413 L414 R415 A455 Y463	R224-D411 IonicContact NH2-OD1 2.99Å; R224-D411 PolarHBondContact NH2-OD1 3.37Å; D407-D411 WeakPolarHBondContact O-CB 3.26Å; D407-D411 PolarHBondContact O-N 3.38Å; A408-D411 PolarHBondContact O-N 3.13Å; D411-W413 VanDerWaalsContact C-N 3.34Å; D411-W413 PolarHBondContact O-N 2.78Å; D411-L414 PolarHBondContact O-N 3.25Å; D411-R415 WeakPolarHBondContact O-CB 3.31Å; D411-R415 PolarHBondContact O-N 3.5Å; D411-A455 WeakPolarHBondContact OD1-CB 3.27Å; D411-A455 PolarHBondContact OD1-N 3.37Å; D411-Y463 HydrophobicContact CB-CD2 4.44Å
412	E	98.2	Very high	97	Very high	12 Å²	12	33.8 Å²	33.8	6%	0.056	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-40.1	173.9	176.2	65.2	178.1	0	0	112	L336 A408 F410 R415 R416 W467	L336-E412 HydrophobicContact CD1-CG 4.05Å; L336-E412 HydrophobicContact CD2-CB 4.24Å; L336-E412 HydrophobicContact CD2-CG 3.96Å; A408-E412 WeakPolarHBondContact O-CB 3.24Å; A408-E412 PolarHBondContact O-N 3.32Å; F410-E412 VanDerWaalsContact C-N 3.33Å; F410-E412 PolarHBondContact O-N 3.21Å; E412-R415 PolarHBondContact O-N 2.9Å; E412-R415 IonicContact OE1-CZ 3.98Å; E412-R415 IonicContact OE1-NH2 3.72Å; E412-R415 PolarHBondContact OE1-NH2 2.87Å; E412-R415 IonicContact OE2-CZ 2.61Å; E412-R415 VanDerWaalsContact OE2-CZ 3.25Å; E412-R415 IonicContact OE2-NE 3.04Å; E412-R415 PolarHBondContact OE2-NE 3.03Å; E412-R415 IonicContact OE2-NH2 2.89Å; E412-R415 PolarHBondContact OE2-NH2 3.1Å; E412-R416 HydrophobicContact CG-CG 4.39Å; E412-R416 WeakPolarHBondContact O-CB 3.25Å; E412-R416 WeakPolarHBondContact O-CG 3.4Å; E412-R416 PolarHBondContact O-N 2.94Å; E412-R416 IonicContact OE1-CZ 3.9Å; E412-R416 IonicContact OE1-NE 3.97Å; E412-R416 PolarHBondContact OE1-NE 3.32Å; E412-R416 IonicContact OE1-NH2 3.24Å; E412-R416 PolarHBondContact OE1-NH2 3.32Å; E412-W467 HydrophobicContact CB-CD2 4.21Å; E412-W467 VanDerWaalsContact CB-CE2 3.46Å; E412-W467 HydrophobicContact CB-CH2 4.28Å; E412-W467 HydrophobicContact CB-CZ2 3.49Å; E412-W467 VanDerWaalsContact CB-CZ2 3.49Å; E412-W467 HydrophobicContact CG-CD2 3.84Å; E412-W467 HydrophobicContact CG-CG 3.96Å; E412-W467 HydrophobicContact CG-CZ2 4.08Å; E412-W467 PolarHBondContact OE2-NE1 3.19Å
413	W	98.2	Very high	96.8	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-62.3	-44.4	176.2	-178.3	92.2	0	0	0	111.7	L336 V338 G339 F341 F354 I409 F410 D411 R415 R416 H417 P419 F452	L336-W413 HydrophobicContact CD2-CB 3.99Å; V338-W413 PolarHBondContact O-NE1 3.49Å; G339-W413 WeakPolarHBondContact O-CZ2 3.28Å; F341-W413 HydrophobicContact CB-CH2 3.52Å; F341-W413 HydrophobicContact CB-CZ2 4.07Å; F341-W413 HydrophobicContact CB-CZ3 4.11Å; F341-W413 HydrophobicContact CD2-CE3 4.4Å; F341-W413 HydrophobicContact CD2-CH2 4.08Å; F341-W413 AromaticContact CD2-CZ3 3.83Å; F341-W413 HydrophobicContact CD2-CZ3 3.83Å; F341-W413 HydrophobicContact CG-CH2 4.23Å; F341-W413 HydrophobicContact CG-CZ3 4.35Å; F354-W413 HydrophobicContact CD1-CB 4.33Å; F354-W413 AromaticContact CD1-CD1 3.84Å; F354-W413 AromaticContact CD1-CD2 3.63Å; F354-W413 HydrophobicContact CD1-CD2 3.63Å; F354-W413 AromaticContact CD1-CE2 3.89Å; F354-W413 HydrophobicContact CD1-CE3 4.1Å; F354-W413 AromaticContact CD1-CG 3.69Å; F354-W413 HydrophobicContact CD1-CG 3.69Å; F354-W413 AromaticContact CD1-NE1 3.93Å; F354-W413 HydrophobicContact CD2-CB 4.38Å; F354-W413 AromaticContact CD2-CD1 3.27Å; F354-W413 HydrophobicContact CD2-CD2 4.46Å; F354-W413 AromaticContact CD2-CG 3.81Å; F354-W413 HydrophobicContact CD2-CG 3.81Å; F354-W413 AromaticContact CD2-NE1 3.7Å; F354-W413 HydrophobicContact CE1-CB 3.71Å; F354-W413 AromaticContact CE1-CD2 3.82Å; F354-W413 HydrophobicContact CE1-CD2 3.82Å; F354-W413 HydrophobicContact CE1-CE3 4.17Å; F354-W413 AromaticContact CE1-CG 3.57Å; F354-W413 HydrophobicContact CE1-CG 3.57Å; F354-W413 HydrophobicContact CE2-CB 3.76Å; F354-W413 AromaticContact CE2-CD1 3.5Å; F354-W413 AromaticContact CE2-CG 3.69Å; F354-W413 HydrophobicContact CE2-CG 3.69Å; F354-W413 AromaticContact CG-CD1 3.45Å; F354-W413 VanDerWaalsContact CG-CD1 3.45Å; F354-W413 AromaticContact CG-CD2 3.98Å; F354-W413 HydrophobicContact CG-CD2 3.98Å; F354-W413 AromaticContact CG-CE2 3.85Å; F354-W413 AromaticContact CG-CG 3.8Å; F354-W413 HydrophobicContact CG-CG 3.8Å; F354-W413 AromaticContact CG-NE1 3.45Å; F354-W413 HydrophobicContact CZ-CB 3.38Å; F354-W413 AromaticContact CZ-CD1 3.89Å; F354-W413 HydrophobicContact CZ-CD2 4.32Å; F354-W413 AromaticContact CZ-CG 3.57Å; F354-W413 HydrophobicContact CZ-CG 3.57Å; I409-W413 WeakPolarHBondContact O-CB 3.39Å; I409-W413 PolarHBondContact O-N 3.2Å; F410-W413 WeakPolarHBondContact O-CB 3.28Å; F410-W413 PolarHBondContact O-N 3.44Å; D411-W413 VanDerWaalsContact C-N 3.34Å; D411-W413 PolarHBondContact O-N 2.78Å; W413-R415 VanDerWaalsContact C-N 3.32Å; W413-R415 PolarHBondContact O-N 3.08Å; W413-R416 PolarHBondContact O-N 2.94Å; W413-H417 AromaticContact CD1-CE1 3.35Å; W413-H417 AromaticContact CD1-ND1 3.3Å; W413-H417 VanDerWaalsContact CD1-ND1 3.3Å; W413-H417 AromaticContact CD2-ND1 3.86Å; W413-H417 AromaticContact CE2-CG 3.97Å; W413-H417 AromaticContact CE2-ND1 3.59Å; W413-H417 AromaticContact CG-ND1 3.65Å; W413-H417 HydrophobicContact CZ2-CB 4.25Å; W413-H417 AromaticContact NE1-CE1 3.37Å; W413-H417 PolarHBondContact NE1-CE1 2.68Å; W413-H417 AromaticContact NE1-CG 3.91Å; W413-H417 AromaticContact NE1-ND1 3.27Å; W413-H417 PolarHBondContact NE1-ND1 2.92Å; W413-H417 PolarHBondContact O-N 3.17Å; W413-H417 PolarHBondContact O-ND1 3.25Å; W413-P419 HydrophobicContact CH2-CB 3.88Å; W413-P419 HydrophobicContact CH2-CG 3.73Å; W413-P419 HydrophobicContact CZ3-CB 4.25Å; W413-P419 HydrophobicContact CZ3-CG 3.57Å; W413-F452 HydrophobicContact CH2-CZ 4.44Å; W413-F452 HydrophobicContact CZ3-CE2 4.4Å; W413-F452 AromaticContact CZ3-CZ 3.87Å; W413-F452 HydrophobicContact CZ3-CZ 3.87Å
414	L	98.2	Very high	96.8	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.037	20%	0.202	C	C	.	.	H	α-helix	trans	-58.5	-44.5	174.5	-71.4	171.3	0	0	0	111.2	F410 D411 G418 P419 F452 V453 T454	F410-L414 HydrophobicContact CD2-CD1 4.13Å; F410-L414 HydrophobicContact CD2-CG 3.99Å; F410-L414 HydrophobicContact CE1-CD1 4.11Å; F410-L414 HydrophobicContact CE2-CD1 3.67Å; F410-L414 HydrophobicContact CE2-CD2 3.82Å; F410-L414 HydrophobicContact CE2-CG 3.61Å; F410-L414 HydrophobicContact CZ-CD1 3.66Å; F410-L414 HydrophobicContact CZ-CD2 4.27Å; F410-L414 HydrophobicContact CZ-CG 4.12Å; F410-L414 WeakPolarHBondContact O-CG 3.47Å; F410-L414 PolarHBondContact O-N 3.06Å; D411-L414 PolarHBondContact O-N 3.25Å; L414-G418 WeakPolarHBondContact O-CA 3.37Å; L414-G418 PolarHBondContact O-N 3.01Å; L414-P419 HydrophobicContact CD2-CG 3.9Å; L414-F452 HydrophobicContact CD2-CD1 4.27Å; L414-F452 HydrophobicContact CD2-CD2 4.39Å; L414-F452 HydrophobicContact CD2-CE1 3.97Å; L414-F452 HydrophobicContact CD2-CE2 4.07Å; L414-F452 HydrophobicContact CD2-CG 4.48Å; L414-F452 HydrophobicContact CD2-CZ 3.88Å; L414-V453 VanDerWaalsContact CD1-O 3.31Å; L414-V453 WeakPolarHBondContact CD1-O 3.11Å; L414-T454 HydrophobicContact CB-CG2 4.09Å
415	R	96.5	Very high	96.7	Very high	156 Å²	156	37.2 Å²	37.2	59%	0.589	21%	0.206	S	C	*	.	H	α-helix	trans	-66.1	-38.5	179.2	-167.1	-169.8	67.4	74.9	0.4	112.8	D411 E412 W413	D411-R415 WeakPolarHBondContact O-CB 3.31Å; D411-R415 PolarHBondContact O-N 3.5Å; E412-R415 PolarHBondContact O-N 2.9Å; E412-R415 IonicContact OE1-CZ 3.98Å; E412-R415 IonicContact OE1-NH2 3.72Å; E412-R415 PolarHBondContact OE1-NH2 2.87Å; E412-R415 IonicContact OE2-CZ 2.61Å; E412-R415 VanDerWaalsContact OE2-CZ 3.25Å; E412-R415 IonicContact OE2-NE 3.04Å; E412-R415 PolarHBondContact OE2-NE 3.03Å; E412-R415 IonicContact OE2-NH2 2.89Å; E412-R415 PolarHBondContact OE2-NH2 3.1Å; W413-R415 VanDerWaalsContact C-N 3.32Å; W413-R415 PolarHBondContact O-N 3.08Å
416	R	95.3	Very high	96.6	Very high	86 Å²	86	40.7 Å²	40.7	33%	0.325	22%	0.223	S	C	.	.	H	α-helix	trans	-71	-42.9	179.5	-76.5	-177.4	-173.1	-162.9	5	113	E412 W413	E412-R416 HydrophobicContact CG-CG 4.39Å; E412-R416 WeakPolarHBondContact O-CB 3.25Å; E412-R416 WeakPolarHBondContact O-CG 3.4Å; E412-R416 PolarHBondContact O-N 2.94Å; E412-R416 IonicContact OE1-CZ 3.9Å; E412-R416 IonicContact OE1-NE 3.97Å; E412-R416 PolarHBondContact OE1-NE 3.32Å; E412-R416 IonicContact OE1-NH2 3.24Å; E412-R416 PolarHBondContact OE1-NH2 3.32Å; W413-R416 PolarHBondContact O-N 2.94Å
417	H	95.8	Very high	96.6	Very high	66 Å²	66	44.7 Å²	44.7	31%	0.306	24%	0.241	S	C	.	.	H	α-helix	trans	-98.4	-21.4	-169.5	-61.5	90.6	0	0	0	113.4	L336 W413 P419	L336-H417 PolarHBondContact O-CE1 3.24Å; L336-H417 VanDerWaalsContact O-CE1 3.25Å; W413-H417 AromaticContact CD1-CE1 3.35Å; W413-H417 AromaticContact CD1-ND1 3.3Å; W413-H417 VanDerWaalsContact CD1-ND1 3.3Å; W413-H417 AromaticContact CD2-ND1 3.86Å; W413-H417 AromaticContact CE2-CG 3.97Å; W413-H417 AromaticContact CE2-ND1 3.59Å; W413-H417 AromaticContact CG-ND1 3.65Å; W413-H417 HydrophobicContact CZ2-CB 4.25Å; W413-H417 AromaticContact NE1-CE1 3.37Å; W413-H417 PolarHBondContact NE1-CE1 2.68Å; W413-H417 AromaticContact NE1-CG 3.91Å; W413-H417 AromaticContact NE1-ND1 3.27Å; W413-H417 PolarHBondContact NE1-ND1 2.92Å; W413-H417 PolarHBondContact O-N 3.17Å; W413-H417 PolarHBondContact O-ND1 3.25Å; H417-P419 VanDerWaalsContact C-N 3.3Å
418	G	94.2	Very high	96.6	Very high	61 Å²	61	48.3 Å²	48.3	63%	0.629	26%	0.261	S	S	*	.			trans	47.8	48.1	-177.1	0	0	0	0	0	113.1	L414	L414-G418 WeakPolarHBondContact O-CA 3.37Å; L414-G418 PolarHBondContact O-N 3.01Å
419	P	93.8	Very high	96.5	Very high	34 Å²	34	48.2 Å²	48.2	22%	0.221	26%	0.26	C	S	.	.			trans	-65.6	145.4	-170.5	31.7	-39.2	0	0	0	111.7	W413 L414 H417 V423 F452	W413-P419 HydrophobicContact CH2-CB 3.88Å; W413-P419 HydrophobicContact CH2-CG 3.73Å; W413-P419 HydrophobicContact CZ3-CB 4.25Å; W413-P419 HydrophobicContact CZ3-CG 3.57Å; L414-P419 HydrophobicContact CD2-CG 3.9Å; H417-P419 VanDerWaalsContact C-N 3.3Å; P419-V423 HydrophobicContact CB-CG1 4.43Å; P419-V423 HydrophobicContact CB-CG2 3.92Å; P419-F452 HydrophobicContact CB-CE1 4.35Å; P419-F452 HydrophobicContact CG-CE1 3.78Å; P419-F452 HydrophobicContact CG-CZ 4.02Å
420	D	92.6	Very high	96.5	Very high	114 Å²	114	48.7 Å²	48.7	61%	0.61	26%	0.263	S	S	*	.			trans	-68.9	144.2	164.4	-169.3	-74.6	0	0	0	109.5	A422 V423	D420-A422 PolarHBondContact O-N 3.49Å; D420-A422 WeakPolarHBondContact OD1-CB 3.27Å; D420-A422 PolarHBondContact OD1-N 2.9Å; D420-V423 WeakPolarHBondContact O-CG1 3.45Å; D420-V423 VanDerWaalsContact O-CG2 3.3Å; D420-V423 WeakPolarHBondContact O-CG2 3.49Å; D420-V423 PolarHBondContact O-N 2.98Å
421	L	92.7	Very high	96.5	Very high	69 Å²	69	49 Å²	49	36%	0.361	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-55.7	-24.3	176.9	-177.9	60.9	0	0	0	112.8	V423 Y424 R435 A449 F452	L421-V423 PolarHBondContact O-N 3.06Å; L421-Y424 WeakPolarHBondContact O-CB 3.43Å; L421-Y424 PolarHBondContact O-N 2.99Å; L421-Y424 VanDerWaalsContact O-N 3.09Å; L421-R435 HydrophobicContact CD1-CG 4.28Å; L421-R435 PolarHBondContact O-NH1 3.13Å; L421-A449 HydrophobicContact CD1-CB 4.16Å; L421-A449 HydrophobicContact CD2-CB 4.2Å; L421-F452 HydrophobicContact CD1-CB 4.17Å; L421-F452 HydrophobicContact CD1-CD1 3.94Å; L421-F452 HydrophobicContact CD1-CG 4.34Å
422	A	93.4	Very high	96.5	Very high	71 Å²	71	48.4 Å²	48.4	59%	0.587	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-57.9	-20	174.4	0	0	0	0	0	115	D420 Y424 R435	D420-A422 PolarHBondContact O-N 3.49Å; D420-A422 WeakPolarHBondContact OD1-CB 3.27Å; D420-A422 PolarHBondContact OD1-N 2.9Å; A422-Y424 PolarHBondContact O-N 2.76Å; A422-R435 VanDerWaalsContact CA-NH1 3.26Å
423	V	94.6	Very high	96.5	Very high	59 Å²	59	47.9 Å²	47.9	36%	0.358	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-70.2	-20	174.7	-53.3	0	0	0	0	112.6	F341 P419 D420 L421 F452	F341-V423 HydrophobicContact CB-CB 4.43Å; F341-V423 HydrophobicContact CB-CG2 3.69Å; F341-V423 HydrophobicContact CG-CG2 4.44Å; P419-V423 HydrophobicContact CB-CG1 4.43Å; P419-V423 HydrophobicContact CB-CG2 3.92Å; D420-V423 WeakPolarHBondContact O-CG1 3.45Å; D420-V423 VanDerWaalsContact O-CG2 3.3Å; D420-V423 WeakPolarHBondContact O-CG2 3.49Å; D420-V423 PolarHBondContact O-N 2.98Å; L421-V423 PolarHBondContact O-N 3.06Å; V423-F452 HydrophobicContact CG2-CE1 4.16Å; V423-F452 HydrophobicContact CG2-CZ 4.03Å
424	Y	97.8	Very high	96.6	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	26%	0.259	C	S	.	.	S	Bend	trans	-86.7	124.8	176	-163.6	-53.9	0	0	0	108.8	P217 G218 T221 F341 L421 A422 E426 H433 R435 N448 F452	P217-Y424 HydrophobicContact CB-CD1 4.24Å; P217-Y424 HydrophobicContact CB-CE1 3.57Å; P217-Y424 HydrophobicContact CB-CE2 4.04Å; P217-Y424 VanDerWaalsContact CB-CZ 3.45Å; P217-Y424 PolarHBondContact O-OH 3.36Å; G218-Y424 WeakPolarHBondContact CA-OH 3.21Å; G218-Y424 PolarHBondContact N-OH 2.83Å; T221-Y424 HydrophobicContact CG2-CE2 4.3Å; F341-Y424 HydrophobicContact CD1-CD2 4.07Å; F341-Y424 HydrophobicContact CD1-CG 4.44Å; F341-Y424 AromaticContact CE1-CD2 3.38Å; F341-Y424 HydrophobicContact CE1-CD2 3.38Å; F341-Y424 AromaticContact CE1-CE2 3.66Å; F341-Y424 HydrophobicContact CE1-CE2 3.66Å; F341-Y424 HydrophobicContact CE1-CG 4.07Å; F341-Y424 HydrophobicContact CZ-CD2 4.05Å; F341-Y424 HydrophobicContact CZ-CE2 4.04Å; L421-Y424 WeakPolarHBondContact O-CB 3.43Å; L421-Y424 PolarHBondContact O-N 2.99Å; L421-Y424 VanDerWaalsContact O-N 3.09Å; A422-Y424 PolarHBondContact O-N 2.76Å; Y424-E426 PolarHBondContact O-N 2.63Å; Y424-H433 WeakPolarHBondContact CE1-O 3.46Å; Y424-H433 PolarHBondContact OH-O 3.27Å; Y424-H433 VanDerWaalsContact OH-O 3.09Å; Y424-R435 HydrophobicContact CD1-CB 3.53Å; Y424-R435 HydrophobicContact CD1-CG 4.05Å; Y424-R435 VanDerWaalsContact CE1-CA 3.43Å; Y424-R435 HydrophobicContact CE1-CB 3.98Å; Y424-R435 HydrophobicContact CG-CB 4.29Å; Y424-R435 HydrophobicContact CG-CG 4.35Å; Y424-N448 HydrophobicContact CE1-CB 4.33Å; Y424-N448 HydrophobicContact CE2-CB 4.04Å; Y424-N448 VanDerWaalsContact OH-CB 3.28Å; Y424-N448 WeakPolarHBondContact OH-CB 3.42Å; Y424-N448 PolarHBondContact OH-ND2 2.83Å; Y424-N448 PolarHBondContact OH-OD1 3.16Å; Y424-F452 AromaticContact CD2-CD2 3.79Å; Y424-F452 HydrophobicContact CD2-CD2 3.79Å; Y424-F452 HydrophobicContact CD2-CE2 4.1Å; Y424-F452 HydrophobicContact CD2-CG 4.24Å; Y424-F452 HydrophobicContact CE2-CD2 4.36Å
425	P	97.6	Very high	96.6	Very high	14 Å²	14	49.4 Å²	49.4	9%	0.091	27%	0.265	C	S	.	.			trans	-62.7	130.3	-174.4	26.2	-36	0	0	0	113.2	P217 F346 A429 R435	P217-P425 HydrophobicContact CB-CG 4.13Å; P217-P425 HydrophobicContact CG-CG 3.5Å; P217-P425 VanDerWaalsContact CG-CG 3.5Å; F346-P425 HydrophobicContact CD1-CB 4.25Å; F346-P425 HydrophobicContact CD1-CG 3.78Å; F346-P425 HydrophobicContact CD2-CB 4.13Å; F346-P425 HydrophobicContact CD2-CG 4.26Å; F346-P425 HydrophobicContact CE1-CB 4.01Å; F346-P425 HydrophobicContact CE1-CG 3.95Å; F346-P425 HydrophobicContact CE2-CB 3.88Å; F346-P425 HydrophobicContact CE2-CG 4.41Å; F346-P425 HydrophobicContact CG-CB 4.3Å; F346-P425 HydrophobicContact CG-CG 3.94Å; F346-P425 HydrophobicContact CZ-CB 3.81Å; F346-P425 HydrophobicContact CZ-CG 4.25Å; P425-A429 HydrophobicContact CG-CB 4.04Å; P425-R435 VanDerWaalsContact O-CB 3.3Å; P425-R435 WeakPolarHBondContact O-CB 3.44Å; P425-R435 PolarHBondContact O-N 3.27Å
426	E	97.7	Very high	96.7	Very high	81 Å²	81	43.1 Å²	43.1	38%	0.379	25%	0.248	S	C	.	.	S	Bend	trans	-71.2	-32.5	173.8	-71.6	-156.3	127.2	0	0	113.5	R72 Y424 N434 R435	R72-E426 VanDerWaalsContact CD-O 3.24Å; R72-E426 WeakPolarHBondContact CD-O 3.47Å; R72-E426 IonicContact CZ-OE1 2.6Å; R72-E426 IonicContact NH2-OE1 3.79Å; R72-E426 PolarHBondContact NH2-OE1 3.09Å; R72-E426 IonicContact NH2-OE2 3.1Å; Y424-E426 PolarHBondContact O-N 2.63Å; E426-N434 WeakPolarHBondContact O-CB 3.46Å; E426-R435 VanDerWaalsContact CG-CZ 3.44Å; E426-R435 IonicContact OE1-CZ 2.69Å; E426-R435 IonicContact OE1-NE 3.17Å; E426-R435 IonicContact OE1-NH2 3.82Å; E426-R435 PolarHBondContact OE1-NH2 3.15Å
427	E	98.1	Very high	96.8	Very high	86 Å²	86	39.4 Å²	39.4	40%	0.402	23%	0.234	S	C	.	.	S	Bend	trans	-152.1	168.8	-170.9	57.2	173.8	-134	0	0	111.1	R72 P73 A429 N434	R72-E427 HydrophobicContact CB-CB 3.97Å; P73-E427 HydrophobicContact CG-CB 4.28Å; E427-A429 PolarHBondContact O-N 3Å; E427-A429 VanDerWaalsContact O-N 3.09Å; E427-N434 WeakPolarHBondContact CA-OD1 3.29Å
428	N	97.9	Very high	97	Very high	81 Å²	81	36.6 Å²	36.6	43%	0.433	22%	0.221	S	C	.	.	S	Bend	trans	63	6.9	178.5	-52.9	-54.9	0	0	0	115.2	P73 G75	P73-N428 PolarHBondContact O-N 3.36Å; G75-N428 WeakPolarHBondContact CA-O 3.29Å
429	A	98.5	Very high	97.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-70.2	162.1	163.3	0	0	0	0	0	109.7	H74 G75 P217 F346 P425 E427 H433 N434	H74-A429 CarbonylContact C-O 3.25Å; H74-A429 WeakPolarHBondContact CA-O 3.3Å; H74-A429 WeakPolarHBondContact CB-O 3.35Å; G75-A429 PolarHBondContact N-O 2.81Å; P217-A429 HydrophobicContact CG-CB 4.19Å; F346-A429 HydrophobicContact CB-CB 4.28Å; P425-A429 HydrophobicContact CG-CB 4.04Å; E427-A429 PolarHBondContact O-N 3Å; E427-A429 VanDerWaalsContact O-N 3.09Å; A429-H433 HydrophobicContact CB-CB 3.97Å; A429-N434 WeakPolarHBondContact CB-OD1 3.28Å; A429-N434 PolarHBondContact N-OD1 3.33Å
430	P	98.7	Very high	97.4	Very high	9 Å²	9	32.2 Å²	32.2	6%	0.058	18%	0.182	C	C	.	.	S	Bend	trans	-48.4	147.4	170	-25.3	33.5	0	0	0	111.4	F346 Y347 G432 H433	F346-P430 WeakPolarHBondContact O-CD 3.49Å; F346-P430 WeakPolarHBondContact O-CG 3.37Å; Y347-P430 HydrophobicContact CD2-CG 3.72Å; Y347-P430 HydrophobicContact CE2-CG 4.48Å; P430-G432 PolarHBondContact O-N 2.75Å; P430-H433 WeakPolarHBondContact O-CB 2.92Å; P430-H433 PolarHBondContact O-N 3.41Å
431	I	98.7	Very high	97.7	Very high	7 Å²	7	26.8 Å²	26.8	4%	0.036	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	131.3	-178.7	-172.1	173.6	0	0	0	110.3	H74 Y78 E87 V210 F212 H433 Y437	H74-I431 HydrophobicContact CB-CB 3.9Å; H74-I431 HydrophobicContact CB-CG1 4.4Å; Y78-I431 HydrophobicContact CD1-CD1 3.66Å; Y78-I431 HydrophobicContact CD1-CG2 4.39Å; Y78-I431 HydrophobicContact CD2-CG2 4.19Å; Y78-I431 HydrophobicContact CE1-CD1 3.9Å; Y78-I431 HydrophobicContact CG-CB 4.47Å; Y78-I431 HydrophobicContact CG-CD1 4.21Å; Y78-I431 HydrophobicContact CG-CG2 3.87Å; E87-I431 HydrophobicContact CG-CD1 3.96Å; V210-I431 HydrophobicContact CG2-CG2 3.6Å; F212-I431 HydrophobicContact CE1-CD1 4.37Å; F212-I431 HydrophobicContact CE1-CG1 3.98Å; F212-I431 HydrophobicContact CE1-CG2 4.48Å; F212-I431 HydrophobicContact CZ-CD1 4.17Å; F212-I431 HydrophobicContact CZ-CG1 4.18Å; F212-I431 HydrophobicContact CZ-CG2 4.2Å; I431-H433 PolarHBondContact O-CD2 3.12Å; I431-Y437 HydrophobicContact CG1-CE2 4.32Å
432	G	98.4	Very high	98	Very high	2 Å²	2	23.5 Å²	23.5	2%	0.021	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.6	-20.6	-173.5	0	0	0	0	0	115.1	P430 Y437 N448	P430-G432 PolarHBondContact O-N 2.75Å; G432-Y437 WeakPolarHBondContact O-CB 3.39Å; G432-N448 PolarHBondContact O-ND2 3.42Å
433	H	98.8	Very high	98.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.			trans	-100.7	-2.7	-172.4	-64.7	-101.5	0	0	0	114.4	D211 H214 G216 P217 G218 Y424 A429 P430 I431	D211-H433 PolarHBondContact O-NE2 2.94Å; H214-H433 PolarHBondContact O-CE1 3.29Å; H214-H433 PolarHBondContact O-NE2 3.41Å; G216-H433 VanDerWaalsContact CA-ND1 3.33Å; G216-H433 WeakPolarHBondContact CA-ND1 3.09Å; G216-H433 PolarHBondContact O-ND1 3Å; P217-H433 HydrophobicContact CG-CB 4.45Å; G218-H433 WeakPolarHBondContact CA-ND1 3.17Å; G218-H433 PolarHBondContact N-ND1 2.58Å; Y424-H433 WeakPolarHBondContact CE1-O 3.46Å; Y424-H433 PolarHBondContact OH-O 3.27Å; Y424-H433 VanDerWaalsContact OH-O 3.09Å; A429-H433 HydrophobicContact CB-CB 3.97Å; P430-H433 WeakPolarHBondContact O-CB 2.92Å; P430-H433 PolarHBondContact O-N 3.41Å; I431-H433 PolarHBondContact O-CD2 3.12Å
434	N	98.8	Very high	98.2	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.102	C	C	.	.	S	Bend	trans	-57.7	147.5	172.2	-76	-7.7	0	0	0	110.6	D70 P73 E426 E427 A429 G436 Y437 N448	D70-N434 WeakPolarHBondContact OD1-CB 2.93Å; D70-N434 PolarHBondContact OD1-ND2 2.96Å; P73-N434 PolarHBondContact O-ND2 3.29Å; P73-N434 VanDerWaalsContact O-ND2 3.14Å; E426-N434 WeakPolarHBondContact O-CB 3.46Å; E427-N434 WeakPolarHBondContact CA-OD1 3.29Å; A429-N434 WeakPolarHBondContact CB-OD1 3.28Å; A429-N434 PolarHBondContact N-OD1 3.33Å; N434-G436 VanDerWaalsContact C-N 3.27Å; N434-G436 PolarHBondContact O-N 2.71Å; N434-Y437 HydrophobicContact CB-CD2 4.47Å; N434-Y437 VanDerWaalsContact O-CB 3.23Å; N434-Y437 WeakPolarHBondContact O-CB 3.35Å; N434-Y437 PolarHBondContact O-N 3.18Å; N434-N448 PolarHBondContact O-ND2 2.72Å
435	R	98.6	Very high	98.1	Very high	40 Å²	40	20.2 Å²	20.2	15%	0.151	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-44.2	-179.1	-179	166.8	59.7	179.6	8.9	114	L421 A422 Y424 P425 E426 Y437 A449	L421-R435 HydrophobicContact CD1-CG 4.28Å; L421-R435 PolarHBondContact O-NH1 3.13Å; A422-R435 VanDerWaalsContact CA-NH1 3.26Å; Y424-R435 HydrophobicContact CD1-CB 3.53Å; Y424-R435 HydrophobicContact CD1-CG 4.05Å; Y424-R435 VanDerWaalsContact CE1-CA 3.43Å; Y424-R435 HydrophobicContact CE1-CB 3.98Å; Y424-R435 HydrophobicContact CG-CB 4.29Å; Y424-R435 HydrophobicContact CG-CG 4.35Å; P425-R435 VanDerWaalsContact O-CB 3.3Å; P425-R435 WeakPolarHBondContact O-CB 3.44Å; P425-R435 PolarHBondContact O-N 3.27Å; E426-R435 VanDerWaalsContact CG-CZ 3.44Å; E426-R435 IonicContact OE1-CZ 2.69Å; E426-R435 IonicContact OE1-NE 3.17Å; E426-R435 IonicContact OE1-NH2 3.82Å; E426-R435 PolarHBondContact OE1-NH2 3.15Å; R435-Y437 VanDerWaalsContact C-N 3.32Å; R435-A449 HydrophobicContact CG-CB 3.94Å; R435-A449 PolarHBondContact O-N 3.02Å
436	G	98.2	Very high	98.1	Very high	23 Å²	23	20 Å²	20	24%	0.237	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	0.9	-178	0	0	0	0	0	114.3	N434 T447	N434-G436 VanDerWaalsContact C-N 3.27Å; N434-G436 PolarHBondContact O-N 2.71Å; G436-T447 WeakPolarHBondContact O-CG2 3.36Å
437	Y	98.8	Very high	98.2	Very high	9 Å²	9	17.4 Å²	17.4	4%	0.035	10%	0.097	C	C	.	.			trans	-70.3	134.3	-177.3	-147.4	-78.3	0	0	0	110.2	D70 R86 E87 R88 W89 F212 I431 G432 N434 R435 M439 V440 T447 N448	D70-Y437 HydrophobicContact CB-CD2 4.21Å; R86-Y437 PolarHBondContact O-OH 2.88Å; R86-Y437 VanDerWaalsContact O-OH 3.1Å; E87-Y437 WeakPolarHBondContact CA-OH 3.33Å; R88-Y437 PolarHBondContact N-OH 2.84Å; W89-Y437 HydrophobicContact CB-CE1 4.22Å; F212-Y437 HydrophobicContact CD1-CE1 4.35Å; F212-Y437 HydrophobicContact CE1-CE1 4.3Å; I431-Y437 HydrophobicContact CG1-CE2 4.32Å; G432-Y437 WeakPolarHBondContact O-CB 3.39Å; N434-Y437 HydrophobicContact CB-CD2 4.47Å; N434-Y437 VanDerWaalsContact O-CB 3.23Å; N434-Y437 WeakPolarHBondContact O-CB 3.35Å; N434-Y437 PolarHBondContact O-N 3.18Å; R435-Y437 VanDerWaalsContact C-N 3.32Å; Y437-M439 PolarHBondContact O-N 3.23Å; Y437-V440 HydrophobicContact CD1-CG2 4.43Å; Y437-V440 HydrophobicContact CE1-CG2 3.81Å; Y437-T447 VanDerWaalsContact O-CA 3.28Å; Y437-T447 WeakPolarHBondContact O-CA 3.35Å; Y437-N448 PolarHBondContact O-N 3.33Å
438	N	98.8	Very high	98.2	Very high	6 Å²	6	13.3 Å²	13.3	3%	0.032	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-73.3	115.3	171.4	-62.6	-47.2	0	0	0	108.6	S68 W89 V440 P445 V446 T447	S68-N438 PolarHBondContact O-ND2 3.06Å; W89-N438 WeakPolarHBondContact O-CB 3.34Å; W89-N438 PolarHBondContact O-ND2 2.82Å; N438-V440 PolarHBondContact O-N 3.48Å; N438-P445 HydrophobicContact CB-CB 4.12Å; N438-V446 CarbonylContact C-O 3.54Å; N438-V446 VanDerWaalsContact CA-O 3.28Å; N438-V446 WeakPolarHBondContact CA-O 3.42Å; N438-T447 WeakPolarHBondContact OD1-CG2 3.25Å
439	M	98.8	Very high	98.2	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.01	7%	0.067	C	C	.	.			trans	-57.9	122	-174.8	-68	175.3	-59.5	0	0	110.9	T221 W222 F225 Y437 F442 V446 T447 N448 M451	T221-M439 VanDerWaalsContact O-SD 3.42Å; W222-M439 VanDerWaalsContact CA-SD 3.56Å; W222-M439 HydrophobicContact CB-SD 4.31Å; F225-M439 HydrophobicContact CB-CE 3.72Å; F225-M439 HydrophobicContact CD2-CE 4.48Å; F225-M439 HydrophobicContact CG-CE 4.06Å; Y437-M439 PolarHBondContact O-N 3.23Å; M439-F442 HydrophobicContact CB-CD2 3.69Å; M439-F442 HydrophobicContact CB-CE2 4.16Å; M439-F442 PolarHBondContact O-N 3.37Å; M439-V446 HydrophobicContact CE-CB 4.19Å; M439-V446 HydrophobicContact CE-CG1 3.63Å; M439-V446 HydrophobicContact CE-CG2 3.74Å; M439-V446 PolarHBondContact N-O 2.84Å; M439-T447 WeakPolarHBondContact CE-O 3.45Å; M439-N448 VanDerWaalsContact CG-OD1 3.24Å; M439-N448 WeakPolarHBondContact CG-OD1 3.33Å; M439-N448 PolarHBondContact SD-OD1 2.91Å; M439-N448 VanDerWaalsContact SD-OD1 3.38Å; M439-M451 HydrophobicContact CE-CG 3.67Å; M439-M451 HydrophobicContact SD-CG 4.37Å
440	V	98.7	Very high	98.2	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.006	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	133.9	-171.7	-177.2	0	0	0	0	110.9	R86 W89 Y193 S194 F212 W222 Y437 N438	R86-V440 HydrophobicContact CB-CG1 3.85Å; R86-V440 HydrophobicContact CB-CG2 4.46Å; R86-V440 HydrophobicContact CG-CG1 3.62Å; W89-V440 HydrophobicContact CB-CG2 3.59Å; W89-V440 HydrophobicContact CD2-CG1 4.24Å; W89-V440 HydrophobicContact CE3-CG1 4.2Å; W89-V440 HydrophobicContact CG-CB 4.43Å; W89-V440 HydrophobicContact CG-CG1 4.48Å; W89-V440 HydrophobicContact CG-CG2 3.92Å; Y193-V440 HydrophobicContact CD1-CG1 4.09Å; Y193-V440 HydrophobicContact CE1-CG1 4.02Å; S194-V440 WeakPolarHBondContact CB-O 3.23Å; F212-V440 HydrophobicContact CB-CB 4.16Å; F212-V440 HydrophobicContact CB-CG2 4.36Å; F212-V440 HydrophobicContact CD1-CB 4.11Å; F212-V440 HydrophobicContact CD1-CG2 3.46Å; F212-V440 VanDerWaalsContact CD1-CG2 3.46Å; F212-V440 HydrophobicContact CE1-CG2 4.01Å; F212-V440 HydrophobicContact CG-CB 4.28Å; F212-V440 HydrophobicContact CG-CG2 4.14Å; W222-V440 PolarHBondContact NE1-O 3.14Å; Y437-V440 HydrophobicContact CD1-CG2 4.43Å; Y437-V440 HydrophobicContact CE1-CG2 3.81Å; N438-V440 PolarHBondContact O-N 3.48Å
441	P	98.4	Very high	98.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	cis	-102	27.3	-1.3	34.9	-30.6	0	0	0	113.9	Q27 W89 W189 S190 Y193	Q27-P441 HydrophobicContact CG-CB 4.28Å; Q27-P441 VanDerWaalsContact NE2-C 3.34Å; Q27-P441 PolarHBondContact NE2-O 2.98Å; W89-P441 VanDerWaalsContact CE2-C 3.48Å; W89-P441 HydrophobicContact CH2-CB 3.69Å; W89-P441 VanDerWaalsContact CZ2-C 3.42Å; W89-P441 HydrophobicContact CZ2-CB 3.67Å; W89-P441 WeakPolarHBondContact CZ2-O 3.34Å; W89-P441 HydrophobicContact CZ3-CB 4.27Å; W189-P441 HydrophobicContact CE3-CG 4.48Å; W189-P441 HydrophobicContact CZ3-CB 4.39Å; W189-P441 HydrophobicContact CZ3-CG 3.82Å; S190-P441 WeakPolarHBondContact O-CD 3.31Å; Y193-P441 HydrophobicContact CD1-CB 3.51Å; Y193-P441 HydrophobicContact CD1-CG 3.65Å; Y193-P441 HydrophobicContact CE1-CB 3.8Å; Y193-P441 HydrophobicContact CE1-CG 4.44Å; Y193-P441 HydrophobicContact CG-CG 4.35Å
442	F	98.4	Very high	98.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.09	C	C	.	.			trans	-58.4	146.2	-168	-60.5	-56.2	0	0	0	113.8	W89 W222 F225 H226 M439 V446	W89-F442 PolarHBondContact NE1-O 3.12Å; W222-F442 AromaticContact CD1-CE2 3.87Å; W222-F442 AromaticContact CD2-CE2 3.87Å; W222-F442 HydrophobicContact CD2-CE2 3.87Å; W222-F442 HydrophobicContact CD2-CZ 4.03Å; W222-F442 AromaticContact CE2-CE2 3.53Å; W222-F442 AromaticContact CE2-CZ 3.6Å; W222-F442 HydrophobicContact CE3-CZ 4.4Å; W222-F442 HydrophobicContact CG-CE2 4.03Å; W222-F442 AromaticContact CH2-CZ 3.89Å; W222-F442 HydrophobicContact CH2-CZ 3.89Å; W222-F442 HydrophobicContact CZ2-CE1 4.36Å; W222-F442 AromaticContact CZ2-CE2 3.96Å; W222-F442 HydrophobicContact CZ2-CE2 3.96Å; W222-F442 AromaticContact CZ2-CZ 3.54Å; W222-F442 HydrophobicContact CZ2-CZ 3.54Å; W222-F442 HydrophobicContact CZ3-CZ 4.33Å; W222-F442 AromaticContact NE1-CE2 3.55Å; F225-F442 HydrophobicContact CB-CD2 4.43Å; F225-F442 HydrophobicContact CB-CE2 4.25Å; F225-F442 HydrophobicContact CD1-CB 3.86Å; F225-F442 AromaticContact CD1-CD1 3.63Å; F225-F442 HydrophobicContact CD1-CD1 3.63Å; F225-F442 AromaticContact CD1-CD2 3.41Å; F225-F442 HydrophobicContact CD1-CD2 3.41Å; F225-F442 VanDerWaalsContact CD1-CD2 3.41Å; F225-F442 HydrophobicContact CD1-CE1 4Å; F225-F442 AromaticContact CD1-CE2 3.79Å; F225-F442 HydrophobicContact CD1-CE2 3.79Å; F225-F442 AromaticContact CD1-CG 3.33Å; F225-F442 HydrophobicContact CD1-CG 3.33Å; F225-F442 HydrophobicContact CD1-CZ 4.08Å; F225-F442 HydrophobicContact CE1-CB 3.58Å; F225-F442 AromaticContact CE1-CD1 3.74Å; F225-F442 HydrophobicContact CE1-CD1 3.74Å; F225-F442 HydrophobicContact CE1-CD2 4.06Å; F225-F442 HydrophobicContact CE1-CE1 4.47Å; F225-F442 AromaticContact CE1-CG 3.52Å; F225-F442 HydrophobicContact CE1-CG 3.52Å; F225-F442 HydrophobicContact CG-CD2 4.24Å; F225-F442 HydrophobicContact CG-CE2 4.47Å; H226-F442 HydrophobicContact CB-CE1 4.43Å; H226-F442 HydrophobicContact CB-CZ 3.79Å; M439-F442 HydrophobicContact CB-CD2 3.69Å; M439-F442 HydrophobicContact CB-CE2 4.16Å; M439-F442 PolarHBondContact O-N 3.37Å; F442-V446 HydrophobicContact CB-CG1 3.82Å; F442-V446 HydrophobicContact CD2-CG1 4.44Å
443	W	96.3	Very high	98.1	Very high	5 Å²	5	17.6 Å²	17.6	2%	0.019	10%	0.101	C	C	.	.	S	Bend	trans	-136.5	134	177.7	-173.5	-87.9	0	0	0	111.2	Q27 F28 C43 I67 P90 F94 T97 P445	Q27-W443 WeakPolarHBondContact O-CB 3.4Å; F28-W443 HydrophobicContact CD1-CB 4.46Å; F28-W443 AromaticContact CD1-CD2 3.83Å; F28-W443 HydrophobicContact CD1-CD2 3.83Å; F28-W443 AromaticContact CD1-CE3 3.52Å; F28-W443 HydrophobicContact CD1-CE3 3.52Å; F28-W443 HydrophobicContact CD1-CG 4.22Å; F28-W443 HydrophobicContact CD1-CZ3 4.02Å; F28-W443 HydrophobicContact CE1-CD2 4.41Å; F28-W443 AromaticContact CE1-CE3 3.68Å; F28-W443 HydrophobicContact CE1-CE3 3.68Å; F28-W443 HydrophobicContact CE1-CZ3 4.05Å; C43-W443 HydrophobicContact CB-CH2 3.83Å; C43-W443 HydrophobicContact CB-CZ2 3.43Å; C43-W443 VanDerWaalsContact CB-CZ2 3.43Å; C43-W443 WeakPolarHBondContact SG-CZ2 3.16Å; I67-W443 HydrophobicContact CD1-CH2 3.93Å; I67-W443 HydrophobicContact CD1-CZ3 3.99Å; P90-W443 HydrophobicContact CB-CE3 4.37Å; P90-W443 HydrophobicContact CB-CZ3 4.1Å; P90-W443 HydrophobicContact CG-CE3 4.11Å; P90-W443 HydrophobicContact CG-CZ3 3.56Å; F94-W443 HydrophobicContact CB-CH2 3.91Å; F94-W443 HydrophobicContact CB-CZ3 4.15Å; F94-W443 HydrophobicContact CD2-CH2 4.33Å; F94-W443 HydrophobicContact CD2-CZ3 4.28Å; F94-W443 HydrophobicContact CG-CH2 4.26Å; T97-W443 WeakPolarHBondContact OG1-CH2 2.98Å; T97-W443 WeakPolarHBondContact OG1-CZ2 3.36Å; W443-P445 HydrophobicContact CE3-CG 4.31Å; W443-P445 HydrophobicContact CZ3-CG 4.19Å
444	P	95.7	Very high	98.1	Very high	33 Å²	33	19.3 Å²	19.3	21%	0.214	11%	0.111	C	C	.	.	S	Bend	cis	-57.2	164	-5.7	-28.8	39.7	0	0	0	114.3	V446	P444-V446 PolarHBondContact O-N 3.11Å
445	P	97.3	Very high	98.1	Very high	25 Å²	25	19.3 Å²	19.3	16%	0.162	11%	0.111	C	C	.	.			trans	-55.7	126.1	176.2	-22.6	33.3	0	0	0	110.7	I67 P90 T97 N438 W443	I67-P445 HydrophobicContact CD1-CG 4.08Å; I67-P445 HydrophobicContact CG1-CG 4.34Å; I67-P445 HydrophobicContact CG2-CB 4.39Å; I67-P445 HydrophobicContact CG2-CG 4.01Å; P90-P445 HydrophobicContact CG-CG 3.94Å; T97-P445 HydrophobicContact CG2-CG 4.2Å; N438-P445 HydrophobicContact CB-CB 4.12Å; W443-P445 HydrophobicContact CE3-CG 4.31Å; W443-P445 HydrophobicContact CZ3-CG 4.19Å
446	V	97.4	Very high	97.9	Very high	9 Å²	9	19.9 Å²	19.9	6%	0.055	12%	0.12	C	C	.	.			trans	-133.4	131.7	179.1	54.7	0	0	0	0	108.4	F225 N438 M439 F442 P444 E450 M451	F225-V446 HydrophobicContact CD1-CG1 3.94Å; F225-V446 HydrophobicContact CD2-CB 4.44Å; F225-V446 HydrophobicContact CD2-CG1 3.95Å; F225-V446 HydrophobicContact CD2-CG2 3.92Å; F225-V446 HydrophobicContact CE1-CG1 3.81Å; F225-V446 HydrophobicContact CE2-CB 4.16Å; F225-V446 HydrophobicContact CE2-CG1 3.81Å; F225-V446 HydrophobicContact CE2-CG2 3.94Å; F225-V446 HydrophobicContact CG-CG1 4Å; F225-V446 HydrophobicContact CZ-CB 4.4Å; F225-V446 HydrophobicContact CZ-CG1 3.73Å; N438-V446 CarbonylContact C-O 3.54Å; N438-V446 VanDerWaalsContact CA-O 3.28Å; N438-V446 WeakPolarHBondContact CA-O 3.42Å; M439-V446 HydrophobicContact CE-CB 4.19Å; M439-V446 HydrophobicContact CE-CG1 3.63Å; M439-V446 HydrophobicContact CE-CG2 3.74Å; M439-V446 PolarHBondContact N-O 2.84Å; F442-V446 HydrophobicContact CB-CG1 3.82Å; F442-V446 HydrophobicContact CD2-CG1 4.44Å; P444-V446 PolarHBondContact O-N 3.11Å; V446-E450 HydrophobicContact CG2-CB 4.09Å; V446-M451 HydrophobicContact CG2-CE 4.04Å
447	T	98.6	Very high	97.6	Very high	26 Å²	26	24.9 Å²	24.9	16%	0.16	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-90.7	158.6	-174.9	61.6	0	0	0	0	112.6	G436 Y437 N438 M439 A449 E450	G436-T447 WeakPolarHBondContact O-CG2 3.36Å; Y437-T447 VanDerWaalsContact O-CA 3.28Å; Y437-T447 WeakPolarHBondContact O-CA 3.35Å; N438-T447 WeakPolarHBondContact OD1-CG2 3.25Å; M439-T447 WeakPolarHBondContact CE-O 3.45Å; T447-A449 PolarHBondContact O-N 3.38Å; T447-E450 PolarHBondContact N-OE1 2.84Å; T447-E450 PolarHBondContact O-N 3.04Å; T447-E450 WeakPolarHBondContact OG1-CG 3.35Å; T447-E450 PolarHBondContact OG1-N 3.45Å; T447-E450 PolarHBondContact OG1-OE1 3.03Å
448	N	98.8	Very high	97.4	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-55.3	-39.8	170.2	-70.6	-59.2	0	0	0	111.6	G218 T221 Y424 G432 N434 Y437 M439 E450 M451 F452	G218-N448 WeakPolarHBondContact CA-OD1 3.44Å; T221-N448 VanDerWaalsContact CG2-O 3.3Å; T221-N448 WeakPolarHBondContact CG2-O 3.47Å; T221-N448 PolarHBondContact OG1-OD1 2.84Å; Y424-N448 HydrophobicContact CE1-CB 4.33Å; Y424-N448 HydrophobicContact CE2-CB 4.04Å; Y424-N448 VanDerWaalsContact OH-CB 3.28Å; Y424-N448 WeakPolarHBondContact OH-CB 3.42Å; Y424-N448 PolarHBondContact OH-ND2 2.83Å; Y424-N448 PolarHBondContact OH-OD1 3.16Å; G432-N448 PolarHBondContact O-ND2 3.42Å; N434-N448 PolarHBondContact O-ND2 2.72Å; Y437-N448 PolarHBondContact O-N 3.33Å; M439-N448 VanDerWaalsContact CG-OD1 3.24Å; M439-N448 WeakPolarHBondContact CG-OD1 3.33Å; M439-N448 PolarHBondContact SD-OD1 2.91Å; M439-N448 VanDerWaalsContact SD-OD1 3.38Å; N448-E450 VanDerWaalsContact C-N 3.26Å; N448-E450 PolarHBondContact O-N 3.37Å; N448-M451 PolarHBondContact O-N 2.89Å; N448-M451 VanDerWaalsContact O-N 3.11Å; N448-F452 PolarHBondContact O-N 3.3Å
449	A	98.4	Very high	97.3	Very high	24 Å²	24	29.3 Å²	29.3	20%	0.198	16%	0.162	C	C	.	.	H	α-helix	trans	-57.4	-35.3	178.7	0	0	0	0	0	113.8	L421 R435 T447 M451 F452	L421-A449 HydrophobicContact CD1-CB 4.16Å; L421-A449 HydrophobicContact CD2-CB 4.2Å; R435-A449 HydrophobicContact CG-CB 3.94Å; R435-A449 PolarHBondContact O-N 3.02Å; T447-A449 PolarHBondContact O-N 3.38Å; A449-M451 VanDerWaalsContact C-N 3.25Å; A449-M451 PolarHBondContact O-N 2.83Å; A449-F452 PolarHBondContact O-N 3.05Å
450	E	97.7	Very high	97.1	Very high	99 Å²	99	30.1 Å²	30.1	46%	0.463	17%	0.17	S	C	.	.	H	α-helix	trans	-68.4	-25.6	179.8	-74	167.7	-95.7	0	0	113	V446 T447 N448 V453	V446-E450 HydrophobicContact CG2-CB 4.09Å; T447-E450 PolarHBondContact N-OE1 2.84Å; T447-E450 PolarHBondContact O-N 3.04Å; T447-E450 WeakPolarHBondContact OG1-CG 3.35Å; T447-E450 PolarHBondContact OG1-N 3.45Å; T447-E450 PolarHBondContact OG1-OE1 3.03Å; N448-E450 VanDerWaalsContact C-N 3.26Å; N448-E450 PolarHBondContact O-N 3.37Å; E450-V453 WeakPolarHBondContact O-CG2 3.41Å
451	M	98.5	Very high	97.1	Very high	10 Å²	10	30.2 Å²	30.2	5%	0.049	17%	0.17	C	C	.	.	H	α-helix	trans	-94.6	-10	178.5	-66	-58.6	108	0	0	113.2	T221 R224 F225 M439 V446 N448 A449 V453 L459	T221-M451 HydrophobicContact CG2-CB 3.8Å; R224-M451 WeakPolarHBondContact CD-O 3.37Å; R224-M451 HydrophobicContact CG-CB 4.42Å; R224-M451 HydrophobicContact CG-SD 4.12Å; R224-M451 PolarHBondContact NH1-O 2.73Å; F225-M451 HydrophobicContact CB-CG 3.99Å; F225-M451 HydrophobicContact CB-SD 3.99Å; F225-M451 HydrophobicContact CD2-CE 3.9Å; F225-M451 HydrophobicContact CD2-CG 4.43Å; F225-M451 HydrophobicContact CD2-SD 3.8Å; F225-M451 HydrophobicContact CG-SD 4.4Å; M439-M451 HydrophobicContact CE-CG 3.67Å; M439-M451 HydrophobicContact SD-CG 4.37Å; V446-M451 HydrophobicContact CG2-CE 4.04Å; N448-M451 PolarHBondContact O-N 2.89Å; N448-M451 VanDerWaalsContact O-N 3.11Å; A449-M451 VanDerWaalsContact C-N 3.25Å; A449-M451 PolarHBondContact O-N 2.83Å; M451-V453 PolarHBondContact O-N 3.19Å; M451-L459 HydrophobicContact CE-CD2 3.85Å; M451-L459 HydrophobicContact SD-CD1 4.32Å; M451-L459 HydrophobicContact SD-CD2 4.25Å
452	F	98.6	Very high	97.1	Very high	14 Å²	14	32 Å²	32	6%	0.061	18%	0.183	C	C	.	.	S	Bend	trans	-84.5	54.7	179.4	-158.7	-98.1	0	0	0	112	T221 F341 F410 W413 L414 P419 L421 V423 Y424 N448 A449	T221-F452 HydrophobicContact CG2-CB 4.21Å; T221-F452 HydrophobicContact CG2-CD2 4.2Å; F341-F452 HydrophobicContact CB-CZ 4.29Å; F341-F452 AromaticContact CD1-CE2 3.92Å; F341-F452 HydrophobicContact CD1-CE2 3.92Å; F341-F452 HydrophobicContact CD1-CZ 4.16Å; F341-F452 AromaticContact CD2-CE2 3.53Å; F341-F452 HydrophobicContact CD2-CE2 3.53Å; F341-F452 AromaticContact CD2-CZ 3.89Å; F341-F452 HydrophobicContact CD2-CZ 3.89Å; F341-F452 HydrophobicContact CE1-CD2 4.5Å; F341-F452 AromaticContact CE1-CE2 3.84Å; F341-F452 HydrophobicContact CE1-CE2 3.84Å; F341-F452 HydrophobicContact CE2-CD2 4.35Å; F341-F452 AromaticContact CE2-CE2 3.46Å; F341-F452 HydrophobicContact CE2-CE2 3.46Å; F341-F452 VanDerWaalsContact CE2-CE2 3.46Å; F341-F452 HydrophobicContact CE2-CZ 4.29Å; F341-F452 AromaticContact CG-CE2 3.77Å; F341-F452 HydrophobicContact CG-CE2 3.77Å; F341-F452 AromaticContact CG-CZ 3.82Å; F341-F452 HydrophobicContact CG-CZ 3.82Å; F341-F452 HydrophobicContact CZ-CD2 4.22Å; F341-F452 AromaticContact CZ-CE2 3.62Å; F341-F452 HydrophobicContact CZ-CE2 3.62Å; F410-F452 HydrophobicContact CE2-CD2 4.05Å; F410-F452 AromaticContact CE2-CE2 3.86Å; F410-F452 HydrophobicContact CE2-CE2 3.86Å; F410-F452 AromaticContact CZ-CD2 3.72Å; F410-F452 HydrophobicContact CZ-CD2 3.72Å; F410-F452 HydrophobicContact CZ-CE2 4.02Å; W413-F452 HydrophobicContact CH2-CZ 4.44Å; W413-F452 HydrophobicContact CZ3-CE2 4.4Å; W413-F452 AromaticContact CZ3-CZ 3.87Å; W413-F452 HydrophobicContact CZ3-CZ 3.87Å; L414-F452 HydrophobicContact CD2-CD1 4.27Å; L414-F452 HydrophobicContact CD2-CD2 4.39Å; L414-F452 HydrophobicContact CD2-CE1 3.97Å; L414-F452 HydrophobicContact CD2-CE2 4.07Å; L414-F452 HydrophobicContact CD2-CG 4.48Å; L414-F452 HydrophobicContact CD2-CZ 3.88Å; P419-F452 HydrophobicContact CB-CE1 4.35Å; P419-F452 HydrophobicContact CG-CE1 3.78Å; P419-F452 HydrophobicContact CG-CZ 4.02Å; L421-F452 HydrophobicContact CD1-CB 4.17Å; L421-F452 HydrophobicContact CD1-CD1 3.94Å; L421-F452 HydrophobicContact CD1-CG 4.34Å; V423-F452 HydrophobicContact CG2-CE1 4.16Å; V423-F452 HydrophobicContact CG2-CZ 4.03Å; Y424-F452 AromaticContact CD2-CD2 3.79Å; Y424-F452 HydrophobicContact CD2-CD2 3.79Å; Y424-F452 HydrophobicContact CD2-CE2 4.1Å; Y424-F452 HydrophobicContact CD2-CG 4.24Å; Y424-F452 HydrophobicContact CE2-CD2 4.36Å; N448-F452 PolarHBondContact O-N 3.3Å; A449-F452 PolarHBondContact O-N 3.05Å
453	V	97.8	Very high	97.1	Very high	41 Å²	41	33.6 Å²	33.6	25%	0.248	19%	0.189	C	C	.	.	S	Bend	trans	-142.3	155.2	-175.2	-66.3	0	0	0	0	109.8	R224 L414 E450 M451 A455 N458 L459	R224-V453 PolarHBondContact NH1-O 2.68Å; L414-V453 VanDerWaalsContact CD1-O 3.31Å; L414-V453 WeakPolarHBondContact CD1-O 3.11Å; E450-V453 WeakPolarHBondContact O-CG2 3.41Å; M451-V453 PolarHBondContact O-N 3.19Å; V453-A455 PolarHBondContact O-N 2.72Å; V453-N458 HydrophobicContact CB-CB 3.83Å; V453-N458 HydrophobicContact CG2-CB 3.52Å; V453-L459 HydrophobicContact CG2-CD1 4.07Å; V453-L459 HydrophobicContact CG2-CD2 3.85Å; V453-L459 HydrophobicContact CG2-CG 3.83Å
454	T	97.9	Very high	97.1	Very high	37 Å²	37	38 Å²	38	23%	0.227	21%	0.21	C	C	.	.			trans	-64.9	131.4	174.6	54.5	0	0	0	0	110.3	L414 E457 N458	L414-T454 HydrophobicContact CB-CG2 4.09Å; T454-E457 VanDerWaalsContact CB-OE2 3.25Å; T454-E457 WeakPolarHBondContact CB-OE2 3.39Å; T454-E457 PolarHBondContact OG1-OE2 3.07Å; T454-N458 WeakPolarHBondContact O-CB 3.17Å; T454-N458 PolarHBondContact O-N 2.71Å; T454-N458 PolarHBondContact O-ND2 3.24Å; T454-N458 PolarHBondContact OG1-ND2 3.23Å
455	A	97.8	Very high	97	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.3	-43.5	-173.3	0	0	0	0	0	114.1	D411 V453 E457 N458 L459 G460 Y461	D411-A455 WeakPolarHBondContact OD1-CB 3.27Å; D411-A455 PolarHBondContact OD1-N 3.37Å; V453-A455 PolarHBondContact O-N 2.72Å; A455-E457 PolarHBondContact O-N 2.79Å; A455-N458 PolarHBondContact O-N 2.95Å; A455-L459 HydrophobicContact CB-CB 4.38Å; A455-L459 HydrophobicContact CB-CD1 4.34Å; A455-L459 CarbonylContact O-C 3.57Å; A455-L459 WeakPolarHBondContact O-CA 3.2Å; A455-L459 PolarHBondContact O-N 3.13Å; A455-G460 PolarHBondContact O-N 3.09Å; A455-G460 VanDerWaalsContact O-N 3.08Å; A455-Y461 CarbonylContact C-O 3.43Å; A455-Y461 HydrophobicContact CB-CD1 4.11Å; A455-Y461 HydrophobicContact CB-CD2 3.98Å; A455-Y461 HydrophobicContact CB-CE1 3.68Å; A455-Y461 HydrophobicContact CB-CE2 3.54Å; A455-Y461 HydrophobicContact CB-CG 4.25Å; A455-Y461 WeakPolarHBondContact CB-O 3.27Å
456	P	95	Very high	96.6	Very high	53 Å²	53	44.9 Å²	44.9	34%	0.344	24%	0.241	S	C	.	.	H	α-helix	trans	-61.8	-40.6	-174.8	-25.2	35.5	0	0	0	113.5	Y461	P456-Y461 WeakPolarHBondContact CA-O 3.42Å; P456-Y461 VanDerWaalsContact N-O 3.09Å
457	E	92.1	Very high	96.3	Very high	128 Å²	128	46.8 Å²	46.8	60%	0.598	25%	0.247	S	C	*	.	H	α-helix	trans	-83.9	-31	-177.2	-62.5	75	-157.1	0	0	113	T454 A455	T454-E457 VanDerWaalsContact CB-OE2 3.25Å; T454-E457 WeakPolarHBondContact CB-OE2 3.39Å; T454-E457 PolarHBondContact OG1-OE2 3.07Å; A455-E457 PolarHBondContact O-N 2.79Å
458	N	95.2	Very high	95.3	Very high	92 Å²	92	47.8 Å²	47.8	49%	0.492	25%	0.254	S	S	.	.	H	α-helix	trans	-116.3	-28.6	-165.1	-57	-77.9	0	0	0	114.5	V453 T454 A455	V453-N458 HydrophobicContact CB-CB 3.83Å; V453-N458 HydrophobicContact CG2-CB 3.52Å; T454-N458 WeakPolarHBondContact O-CB 3.17Å; T454-N458 PolarHBondContact O-N 2.71Å; T454-N458 PolarHBondContact O-ND2 3.24Å; T454-N458 PolarHBondContact OG1-ND2 3.23Å; A455-N458 PolarHBondContact O-N 2.95Å
459	L	96.4	Very high	93.5	Very high	16 Å²	16	50.7 Å²	50.7	8%	0.084	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-6.6	-172.5	-54.6	178.2	0	0	0	113.5	H114 R224 M451 V453 A455 Y461	H114-L459 WeakPolarHBondContact CB-O 3.41Å; H114-L459 PolarHBondContact ND1-O 3.4Å; R224-L459 HydrophobicContact CG-CD1 4.29Å; M451-L459 HydrophobicContact CE-CD2 3.85Å; M451-L459 HydrophobicContact SD-CD1 4.32Å; M451-L459 HydrophobicContact SD-CD2 4.25Å; V453-L459 HydrophobicContact CG2-CD1 4.07Å; V453-L459 HydrophobicContact CG2-CD2 3.85Å; V453-L459 HydrophobicContact CG2-CG 3.83Å; A455-L459 HydrophobicContact CB-CB 4.38Å; A455-L459 HydrophobicContact CB-CD1 4.34Å; A455-L459 CarbonylContact O-C 3.57Å; A455-L459 WeakPolarHBondContact O-CA 3.2Å; A455-L459 PolarHBondContact O-N 3.13Å; L459-Y461 HydrophobicContact CB-CD1 3.86Å; L459-Y461 HydrophobicContact CB-CE1 3.57Å; L459-Y461 HydrophobicContact CD1-CE1 3.96Å; L459-Y461 HydrophobicContact CG-CE1 4.43Å
460	G	95.1	Very high	91.5	Very high	18 Å²	18	53.6 Å²	53.6	19%	0.186	30%	0.3	C	S	.	.	S	Bend	trans	83.8	13.2	169.4	0	0	0	0	0	115.4	A455	A455-G460 PolarHBondContact O-N 3.09Å; A455-G460 VanDerWaalsContact O-N 3.08Å
461	Y	98	Very high	89.5	Confident	3 Å²	3	53.3 Å²	53.3	1%	0.012	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	160.1	174.4	71.6	-86.3	0	0	0	111.9	V127 R129 R224 L228 D407 A455 P456 L459 Y463	V127-Y461 CarbonylContact O-C 3.59Å; V127-Y461 VanDerWaalsContact O-CA 3.26Å; V127-Y461 WeakPolarHBondContact O-CA 3.34Å; R129-Y461 HydrophobicContact CG-CD2 4.41Å; R224-Y461 PolarHBondContact NE-OH 3.17Å; L228-Y461 HydrophobicContact CD1-CD1 3.74Å; L228-Y461 HydrophobicContact CD1-CE1 3.75Å; D407-Y461 WeakPolarHBondContact OD2-CE2 3.46Å; D407-Y461 PolarHBondContact OD2-OH 3.18Å; A455-Y461 CarbonylContact C-O 3.43Å; A455-Y461 HydrophobicContact CB-CD1 4.11Å; A455-Y461 HydrophobicContact CB-CD2 3.98Å; A455-Y461 HydrophobicContact CB-CE1 3.68Å; A455-Y461 HydrophobicContact CB-CE2 3.54Å; A455-Y461 HydrophobicContact CB-CG 4.25Å; A455-Y461 WeakPolarHBondContact CB-O 3.27Å; P456-Y461 WeakPolarHBondContact CA-O 3.42Å; P456-Y461 VanDerWaalsContact N-O 3.09Å; L459-Y461 HydrophobicContact CB-CD1 3.86Å; L459-Y461 HydrophobicContact CB-CE1 3.57Å; L459-Y461 HydrophobicContact CD1-CE1 3.96Å; L459-Y461 HydrophobicContact CG-CE1 4.43Å; Y461-Y463 HydrophobicContact CD2-CE2 4.2Å; Y461-Y463 HydrophobicContact CE2-CD2 4.43Å; Y461-Y463 AromaticContact CE2-CE2 3.63Å; Y461-Y463 HydrophobicContact CE2-CE2 3.63Å
462	S	97.9	Very high	87.8	Confident	37 Å²	37	58.9 Å²	58.9	26%	0.259	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	167.3	177.7	60.3	0	0	0	0	111.4	V127 V128 R129	V127-S462 PolarHBondContact O-N 3.4Å; V128-S462 WeakPolarHBondContact CA-O 3.2Å; R129-S462 PolarHBondContact N-O 3.21Å
463	Y	98.4	Very high	86.4	Confident	35 Å²	35	60.4 Å²	60.4	14%	0.137	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.6	176	-74	-81.8	0	0	0	111.7	R129 Y247 T404 D407 A408 D411 Y461 A465	R129-Y463 HydrophobicContact CB-CD1 3.6Å; R129-Y463 HydrophobicContact CB-CE1 3.54Å; R129-Y463 HydrophobicContact CB-CG 4.42Å; R129-Y463 HydrophobicContact CG-CE1 4.21Å; R129-Y463 PolarHBondContact NH1-OH 3.17Å; R129-Y463 WeakPolarHBondContact O-CA 3.46Å; Y247-Y463 AromaticContact CD1-CD1 3.85Å; Y247-Y463 HydrophobicContact CD1-CD1 3.85Å; Y247-Y463 HydrophobicContact CD1-CE1 4.19Å; Y247-Y463 HydrophobicContact CE1-CD1 4.23Å; T404-Y463 WeakPolarHBondContact O-CE1 3.34Å; T404-Y463 PolarHBondContact O-OH 2.9Å; D407-Y463 WeakPolarHBondContact CB-OH 3.24Å; D407-Y463 PolarHBondContact OD2-OH 3.16Å; A408-Y463 HydrophobicContact CB-CD1 3.59Å; A408-Y463 HydrophobicContact CB-CD2 3.89Å; A408-Y463 HydrophobicContact CB-CE1 3.65Å; A408-Y463 HydrophobicContact CB-CE2 3.94Å; A408-Y463 HydrophobicContact CB-CG 3.72Å; D411-Y463 HydrophobicContact CB-CD2 4.44Å; Y461-Y463 HydrophobicContact CD2-CE2 4.2Å; Y461-Y463 HydrophobicContact CE2-CD2 4.43Å; Y461-Y463 AromaticContact CE2-CE2 3.63Å; Y461-Y463 HydrophobicContact CE2-CE2 3.63Å; Y463-A465 PolarHBondContact O-N 2.96Å
464	E	97.3	Very high	85.2	Confident	98 Å²	98	65 Å²	65	46%	0.458	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	72.4	160.4	-171.9	-178.8	-154.2	0	0	108	V128 R129 R130 Y247	V128-E464 HydrophobicContact CG1-CB 4Å; R129-E464 PolarHBondContact O-N 3.38Å; R130-E464 WeakPolarHBondContact CD-OE2 3.27Å; R130-E464 HydrophobicContact CG-CB 4.12Å; R130-E464 WeakPolarHBondContact CG-OE2 3.4Å; R130-E464 IonicContact CZ-OE2 2.81Å; R130-E464 IonicContact NE-OE2 2.71Å; R130-E464 PolarHBondContact NE-OE2 2.66Å; R130-E464 IonicContact NH2-OE2 3.47Å; Y247-E464 PolarHBondContact OH-O 2.9Å
465	A	93.1	Very high	84.2	Confident	23 Å²	23	67.8 Å²	67.8	19%	0.19	38%	0.383	C	S	.	.			trans	-120.7	140.5	-177.8	0	0	0	0	0	112.1	Y247 Y463 W467	Y247-A465 HydrophobicContact CE1-CB 4.22Å; Y247-A465 WeakPolarHBondContact OH-CA 3.24Å; Y463-A465 PolarHBondContact O-N 2.96Å; A465-W467 HydrophobicContact CB-CZ2 4.09Å
466	E	88.7	Confident	83.2	Confident	178 Å²	178	72.4 Å²	72.4	83%	0.832	40%	0.404	S	S	*	.			trans	-105	132.1	172.2	-65.7	-175.8	174.4	0	0	109.5
467	W	90.7	Very high	82.4	Confident	49 Å²	49	74.2 Å²	74.2	19%	0.186	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-100.1	139.8	179.1	-57.7	107.1	0	0	0	109.9	V332 L336 F405 A408 I409 E412 A465 G469	V332-W467 HydrophobicContact CG1-CE3 3.89Å; V332-W467 HydrophobicContact CG1-CZ3 3.87Å; L336-W467 HydrophobicContact CD1-CD2 4.21Å; L336-W467 HydrophobicContact CD1-CE3 3.87Å; L336-W467 HydrophobicContact CD1-CZ3 4.46Å; F405-W467 HydrophobicContact CE2-CH2 4.44Å; F405-W467 HydrophobicContact CE2-CZ3 4.23Å; F405-W467 HydrophobicContact CZ-CZ3 4.43Å; A408-W467 HydrophobicContact CB-CH2 3.78Å; A408-W467 HydrophobicContact CB-CZ2 4.05Å; A408-W467 WeakPolarHBondContact O-CH2 3.3Å; A408-W467 WeakPolarHBondContact O-CZ2 3.38Å; I409-W467 HydrophobicContact CB-CH2 4.29Å; I409-W467 HydrophobicContact CB-CZ3 4.4Å; I409-W467 HydrophobicContact CG1-CH2 3.77Å; I409-W467 HydrophobicContact CG1-CZ3 3.59Å; E412-W467 HydrophobicContact CB-CD2 4.21Å; E412-W467 VanDerWaalsContact CB-CE2 3.46Å; E412-W467 HydrophobicContact CB-CH2 4.28Å; E412-W467 HydrophobicContact CB-CZ2 3.49Å; E412-W467 VanDerWaalsContact CB-CZ2 3.49Å; E412-W467 HydrophobicContact CG-CD2 3.84Å; E412-W467 HydrophobicContact CG-CG 3.96Å; E412-W467 HydrophobicContact CG-CZ2 4.08Å; E412-W467 PolarHBondContact OE2-NE1 3.19Å; A465-W467 HydrophobicContact CB-CZ2 4.09Å; W467-G469 PolarHBondContact O-N 3.03Å; W467-G469 VanDerWaalsContact O-N 3.08Å
468	P	79.1	Confident	82.1	Confident	48 Å²	48	72.2 Å²	72.2	31%	0.312	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-55	121.8	173.1	-16.4	26.4	0	0	0	108.9	P329 A333	P329-P468 HydrophobicContact CB-CG 4.36Å; A333-P468 HydrophobicContact CB-CB 4.22Å
469	G	59.5	Low	81.6	Confident	62 Å²	62	71.6 Å²	71.6	64%	0.639	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-60.6	141.8	175.8	0	0	0	0	0	109.7	W467 P471	W467-G469 PolarHBondContact O-N 3.03Å; W467-G469 VanDerWaalsContact O-N 3.08Å; G469-P471 VanDerWaalsContact O-CD 3.26Å; G469-P471 WeakPolarHBondContact O-CD 3.42Å; G469-P471 VanDerWaalsContact O-N 3.15Å
470	T	56.9	Low	81.1	Confident	84 Å²	84	75 Å²	75	52%	0.515	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-59.8	118.5	167.7	42	0	0	0	0	107.9	F472	T470-F472 PolarHBondContact O-N 2.92Å; T470-F472 VanDerWaalsContact O-N 3.16Å
471	P	56.4	Low	80.8	Confident	94 Å²	94	76.9 Å²	76.9	61%	0.61	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-59.3	124.8	171.8	23	-30	0	0	0	107.7	G469 S473	G469-P471 VanDerWaalsContact O-CD 3.26Å; G469-P471 WeakPolarHBondContact O-CD 3.42Å; G469-P471 VanDerWaalsContact O-N 3.15Å; P471-S473 PolarHBondContact O-N 3.13Å
472	F	61.1	Low	80.6	Confident	127 Å²	127	81.3 Å²	81.3	56%	0.557	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-54	133.4	178.6	-66.8	-73.6	0	0	0	109.7	T470 E476 I477 I480	T470-F472 PolarHBondContact O-N 2.92Å; T470-F472 VanDerWaalsContact O-N 3.16Å; F472-E476 HydrophobicContact CB-CB 4.15Å; F472-E476 HydrophobicContact CD1-CB 4.18Å; F472-I477 HydrophobicContact CB-CD1 4.2Å; F472-I477 HydrophobicContact CB-CG1 3.57Å; F472-I480 HydrophobicContact CD1-CD1 3.88Å; F472-I480 HydrophobicContact CE1-CD1 3.86Å; F472-I480 HydrophobicContact CG-CD1 4.29Å; F472-I480 HydrophobicContact CZ-CD1 4.27Å
473	S	70.4	Confident	80.3	Confident	45 Å²	45	83.4 Å²	83.4	32%	0.315	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-59.2	152.5	170.4	63.3	0	0	0	0	110	P471 T475 E476 I477	P471-S473 PolarHBondContact O-N 3.13Å; S473-T475 WeakPolarHBondContact CB-OG1 3.44Å; S473-T475 PolarHBondContact O-N 2.86Å; S473-T475 VanDerWaalsContact O-N 3.09Å; S473-T475 PolarHBondContact OG-OG1 2.93Å; S473-E476 WeakPolarHBondContact CB-OE2 3.01Å; S473-E476 PolarHBondContact N-OE2 3.28Å; S473-E476 PolarHBondContact O-N 3.11Å; S473-E476 WeakPolarHBondContact OG-CB 3.42Å; S473-E476 VanDerWaalsContact OG-CD 3.29Å; S473-E476 VanDerWaalsContact OG-CG 3.23Å; S473-E476 WeakPolarHBondContact OG-CG 3.05Å; S473-E476 PolarHBondContact OG-N 3.28Å; S473-E476 VanDerWaalsContact OG-N 3.13Å; S473-E476 PolarHBondContact OG-OE2 3.48Å; S473-I477 WeakPolarHBondContact O-CG1 3.25Å; S473-I477 PolarHBondContact O-N 3.03Å
474	L	73.1	Confident	80	Confident	137 Å²	137	84.5 Å²	84.5	72%	0.717	48%	0.483	S	S	*	.	H	α-helix	trans	-55.2	-33.4	177.8	-152.9	118.7	0	0	0	111.3	I478	L474-I478 HydrophobicContact CD2-CD1 3.83Å; L474-I478 WeakPolarHBondContact O-CB 3.42Å; L474-I478 WeakPolarHBondContact O-CD1 3.45Å; L474-I478 WeakPolarHBondContact O-CG1 3.43Å; L474-I478 PolarHBondContact O-N 3.44Å
475	T	75.6	Confident	79.8	Confident	97 Å²	97	82.3 Å²	82.3	60%	0.595	48%	0.482	S	S	*	.	H	α-helix	trans	-64.5	-43.9	172	32.3	0	0	0	0	113.7	S473 I478 T479	S473-T475 WeakPolarHBondContact CB-OG1 3.44Å; S473-T475 PolarHBondContact O-N 2.86Å; S473-T475 VanDerWaalsContact O-N 3.09Å; S473-T475 PolarHBondContact OG-OG1 2.93Å; T475-I478 PolarHBondContact O-N 3Å; T475-T479 WeakPolarHBondContact O-CB 3.29Å; T475-T479 PolarHBondContact O-N 3.22Å; T475-T479 PolarHBondContact O-OG1 3.2Å
476	E	76.5	Confident	79.9	Confident	96 Å²	96	86.6 Å²	86.6	45%	0.449	50%	0.501	S	S	.	.	H	α-helix	trans	-67.9	-40.3	175.3	-75.7	162.5	141.4	0	0	111.4	F472 S473 I478 T479 I480	F472-E476 HydrophobicContact CB-CB 4.15Å; F472-E476 HydrophobicContact CD1-CB 4.18Å; S473-E476 WeakPolarHBondContact CB-OE2 3.01Å; S473-E476 PolarHBondContact N-OE2 3.28Å; S473-E476 PolarHBondContact O-N 3.11Å; S473-E476 WeakPolarHBondContact OG-CB 3.42Å; S473-E476 VanDerWaalsContact OG-CD 3.29Å; S473-E476 VanDerWaalsContact OG-CG 3.23Å; S473-E476 WeakPolarHBondContact OG-CG 3.05Å; S473-E476 PolarHBondContact OG-N 3.28Å; S473-E476 VanDerWaalsContact OG-N 3.13Å; S473-E476 PolarHBondContact OG-OE2 3.48Å; E476-I478 VanDerWaalsContact C-N 3.34Å; E476-I478 PolarHBondContact O-N 2.8Å; E476-T479 PolarHBondContact O-N 3.42Å; E476-T479 VanDerWaalsContact O-N 3.16Å; E476-I480 WeakPolarHBondContact O-CB 3.44Å; E476-I480 WeakPolarHBondContact O-CD1 3.25Å; E476-I480 WeakPolarHBondContact O-CG1 3.49Å; E476-I480 PolarHBondContact O-N 3Å
477	I	79.2	Confident	80.2	Confident	92 Å²	92	82.2 Å²	82.2	47%	0.472	49%	0.487	S	S	.	.	H	α-helix	trans	-59.5	-47	174.7	-63.5	172.4	0	0	0	110.2	F472 S473 T479 I480 A481	F472-I477 HydrophobicContact CB-CD1 4.2Å; F472-I477 HydrophobicContact CB-CG1 3.57Å; S473-I477 WeakPolarHBondContact O-CG1 3.25Å; S473-I477 PolarHBondContact O-N 3.03Å; I477-T479 VanDerWaalsContact C-N 3.32Å; I477-T479 PolarHBondContact O-N 2.91Å; I477-I480 PolarHBondContact O-N 3.47Å; I477-A481 VanDerWaalsContact O-CB 3.29Å; I477-A481 WeakPolarHBondContact O-CB 3.32Å; I477-A481 PolarHBondContact O-N 3.19Å
478	I	84.6	Confident	80.3	Confident	85 Å²	85	85.1 Å²	85.1	44%	0.436	51%	0.505	S	S	.	.	H	α-helix	trans	-61.2	-43.2	175.7	-71.2	165.6	0	0	0	110.5	L474 T475 E476 A481 I482	L474-I478 HydrophobicContact CD2-CD1 3.83Å; L474-I478 WeakPolarHBondContact O-CB 3.42Å; L474-I478 WeakPolarHBondContact O-CD1 3.45Å; L474-I478 WeakPolarHBondContact O-CG1 3.43Å; L474-I478 PolarHBondContact O-N 3.44Å; T475-I478 PolarHBondContact O-N 3Å; E476-I478 VanDerWaalsContact C-N 3.34Å; E476-I478 PolarHBondContact O-N 2.8Å; I478-A481 PolarHBondContact O-N 3.25Å; I478-I482 HydrophobicContact CG2-CD1 3.72Å; I478-I482 HydrophobicContact CG2-CG1 4.38Å; I478-I482 VanDerWaalsContact O-CG1 3.26Å; I478-I482 WeakPolarHBondContact O-CG1 3.43Å; I478-I482 PolarHBondContact O-N 3.34Å
479	T	84.9	Confident	81.1	Confident	80 Å²	80	87.3 Å²	87.3	49%	0.491	52%	0.517	S	S	.	.	H	α-helix	trans	-65.1	-46.2	-179.3	-55.6	0	0	0	0	111.3	T475 E476 I477 A481 I482 V483	T475-T479 WeakPolarHBondContact O-CB 3.29Å; T475-T479 PolarHBondContact O-N 3.22Å; T475-T479 PolarHBondContact O-OG1 3.2Å; E476-T479 PolarHBondContact O-N 3.42Å; E476-T479 VanDerWaalsContact O-N 3.16Å; I477-T479 VanDerWaalsContact C-N 3.32Å; I477-T479 PolarHBondContact O-N 2.91Å; T479-A481 VanDerWaalsContact C-N 3.31Å; T479-A481 PolarHBondContact O-N 2.83Å; T479-I482 PolarHBondContact O-N 3.04Å; T479-V483 HydrophobicContact CG2-CG2 4.48Å; T479-V483 WeakPolarHBondContact O-CB 3.07Å; T479-V483 VanDerWaalsContact O-CG2 3.29Å; T479-V483 WeakPolarHBondContact O-CG2 3.49Å; T479-V483 PolarHBondContact O-N 3.4Å
480	I	85.6	Confident	82.6	Confident	88 Å²	88	87.1 Å²	87.1	45%	0.451	51%	0.51	S	S	.	.	H	α-helix	trans	-60	-43.4	175.3	-68.3	164.5	0	0	0	110	F472 E476 I477 V483 A484	F472-I480 HydrophobicContact CD1-CD1 3.88Å; F472-I480 HydrophobicContact CE1-CD1 3.86Å; F472-I480 HydrophobicContact CG-CD1 4.29Å; F472-I480 HydrophobicContact CZ-CD1 4.27Å; E476-I480 WeakPolarHBondContact O-CB 3.44Å; E476-I480 WeakPolarHBondContact O-CD1 3.25Å; E476-I480 WeakPolarHBondContact O-CG1 3.49Å; E476-I480 PolarHBondContact O-N 3Å; I477-I480 PolarHBondContact O-N 3.47Å; I480-V483 PolarHBondContact O-N 2.79Å; I480-A484 VanDerWaalsContact O-CB 3.25Å; I480-A484 WeakPolarHBondContact O-CB 3.36Å; I480-A484 PolarHBondContact O-N 2.04Å
481	A	89.8	Confident	84.4	Confident	57 Å²	57	87.4 Å²	87.4	47%	0.471	51%	0.512	S	S	.	.	H	α-helix	trans	-63.1	-42.8	177.3	0	0	0	0	0	112.4	I477 I478 T479 A485	I477-A481 VanDerWaalsContact O-CB 3.29Å; I477-A481 WeakPolarHBondContact O-CB 3.32Å; I477-A481 PolarHBondContact O-N 3.19Å; I478-A481 PolarHBondContact O-N 3.25Å; T479-A481 VanDerWaalsContact C-N 3.31Å; T479-A481 PolarHBondContact O-N 2.83Å; A481-A485 WeakPolarHBondContact O-CB 3.21Å; A481-A485 PolarHBondContact O-N 3.34Å
482	I	93	Very high	86.2	Confident	96 Å²	96	87.5 Å²	87.5	49%	0.492	51%	0.506	S	S	.	.	H	α-helix	trans	-63.5	-48	176.1	-69.6	167	0	0	0	110.4	I478 T479 A484 A485 L486	I478-I482 HydrophobicContact CG2-CD1 3.72Å; I478-I482 HydrophobicContact CG2-CG1 4.38Å; I478-I482 VanDerWaalsContact O-CG1 3.26Å; I478-I482 WeakPolarHBondContact O-CG1 3.43Å; I478-I482 PolarHBondContact O-N 3.34Å; T479-I482 PolarHBondContact O-N 3.04Å; I482-A484 PolarHBondContact O-N 3.09Å; I482-A485 PolarHBondContact O-N 3.38Å; I482-L486 HydrophobicContact CG2-CD1 3.96Å; I482-L486 HydrophobicContact CG2-CG 4.43Å; I482-L486 WeakPolarHBondContact O-CG 3.4Å; I482-L486 PolarHBondContact O-N 2.77Å
483	V	92.9	Very high	87.7	Confident	80 Å²	80	88.2 Å²	88.2	49%	0.485	51%	0.509	S	S	.	.	H	α-helix	trans	-61.7	-45.3	179.5	172.4	0	0	0	0	110.7	T479 I480 A485 L486 V487	T479-V483 HydrophobicContact CG2-CG2 4.48Å; T479-V483 WeakPolarHBondContact O-CB 3.07Å; T479-V483 VanDerWaalsContact O-CG2 3.29Å; T479-V483 WeakPolarHBondContact O-CG2 3.49Å; T479-V483 PolarHBondContact O-N 3.4Å; I480-V483 PolarHBondContact O-N 2.79Å; V483-A485 VanDerWaalsContact C-N 3.34Å; V483-A485 PolarHBondContact O-N 3.42Å; V483-L486 PolarHBondContact O-N 2.71Å; V483-V487 HydrophobicContact CG1-CG2 4.48Å; V483-V487 WeakPolarHBondContact O-CG2 3.2Å; V483-V487 PolarHBondContact O-N 3.24Å
484	A	92.5	Very high	88.6	Confident	58 Å²	58	88.5 Å²	88.5	48%	0.479	51%	0.514	S	S	.	.	H	α-helix	trans	-61	-41.8	176.8	0	0	0	0	0	112.1	I480 I482 V487 L488	I480-A484 VanDerWaalsContact O-CB 3.25Å; I480-A484 WeakPolarHBondContact O-CB 3.36Å; I480-A484 PolarHBondContact O-N 2.04Å; I482-A484 PolarHBondContact O-N 3.09Å; A484-V487 PolarHBondContact O-N 2.69Å; A484-L488 WeakPolarHBondContact O-CB 3.38Å; A484-L488 PolarHBondContact O-N 2.9Å
485	A	93.1	Very high	89.5	Confident	53 Å²	53	84.8 Å²	84.8	44%	0.438	50%	0.503	S	S	.	.	H	α-helix	trans	-63.6	-42.6	175.7	0	0	0	0	0	112	A481 I482 V483 L488 V489	A481-A485 WeakPolarHBondContact O-CB 3.21Å; A481-A485 PolarHBondContact O-N 3.34Å; I482-A485 PolarHBondContact O-N 3.38Å; V483-A485 VanDerWaalsContact C-N 3.34Å; V483-A485 PolarHBondContact O-N 3.42Å; A485-L488 WeakPolarHBondContact O-CB 3.48Å; A485-L488 PolarHBondContact O-N 3.37Å; A485-V489 WeakPolarHBondContact O-CG2 3.49Å; A485-V489 PolarHBondContact O-N 3.43Å
486	L	94.3	Very high	90.1	Very high	112 Å²	112	83.5 Å²	83.5	59%	0.586	50%	0.495	S	S	*	.	H	α-helix	trans	-64.5	-41	177	-71.2	172.1	0	0	0	112.2	I482 V483 V489 A490	I482-L486 HydrophobicContact CG2-CD1 3.96Å; I482-L486 HydrophobicContact CG2-CG 4.43Å; I482-L486 WeakPolarHBondContact O-CG 3.4Å; I482-L486 PolarHBondContact O-N 2.77Å; V483-L486 PolarHBondContact O-N 2.71Å; L486-V489 PolarHBondContact O-N 3.49Å; L486-A490 WeakPolarHBondContact O-CB 3.43Å; L486-A490 PolarHBondContact O-N 2.99Å
487	V	94.2	Very high	90.7	Very high	87 Å²	87	81.2 Å²	81.2	53%	0.527	49%	0.488	S	S	.	.	H	α-helix	trans	-62.6	-43.5	174.4	171.8	0	0	0	0	110.6	V483 A484 V489 A490 V491	V483-V487 HydrophobicContact CG1-CG2 4.48Å; V483-V487 WeakPolarHBondContact O-CG2 3.2Å; V483-V487 PolarHBondContact O-N 3.24Å; A484-V487 PolarHBondContact O-N 2.69Å; V487-V489 VanDerWaalsContact C-N 3.34Å; V487-V489 PolarHBondContact O-N 3.33Å; V487-A490 WeakPolarHBondContact O-CB 3.14Å; V487-A490 PolarHBondContact O-N 2.76Å; V487-V491 HydrophobicContact CG1-CG2 4.44Å; V487-V491 WeakPolarHBondContact O-CG2 3.46Å; V487-V491 PolarHBondContact O-N 3.45Å
488	L	94.5	Very high	91	Very high	110 Å²	110	80.8 Å²	80.8	58%	0.576	49%	0.492	S	S	*	.	H	α-helix	trans	-60.5	-44.4	176.8	-169.1	77.4	0	0	0	111.5	A484 A485 A490 V491 I492	A484-L488 WeakPolarHBondContact O-CB 3.38Å; A484-L488 PolarHBondContact O-N 2.9Å; A485-L488 WeakPolarHBondContact O-CB 3.48Å; A485-L488 PolarHBondContact O-N 3.37Å; L488-A490 VanDerWaalsContact C-N 3.33Å; L488-A490 PolarHBondContact O-N 2.87Å; L488-V491 PolarHBondContact O-N 3.04Å; L488-I492 HydrophobicContact CG-CD1 4.18Å; L488-I492 VanDerWaalsContact O-CG1 3.3Å; L488-I492 WeakPolarHBondContact O-CG1 3.3Å; L488-I492 PolarHBondContact O-N 3.37Å
489	V	94.3	Very high	90.9	Very high	93 Å²	93	79.6 Å²	79.6	56%	0.564	50%	0.495	S	S	*	.	H	α-helix	trans	-60.8	-43.5	175.7	171.4	0	0	0	0	111	A485 L486 V487 V491 I492 F493	A485-V489 WeakPolarHBondContact O-CG2 3.49Å; A485-V489 PolarHBondContact O-N 3.43Å; L486-V489 PolarHBondContact O-N 3.49Å; V487-V489 VanDerWaalsContact C-N 3.34Å; V487-V489 PolarHBondContact O-N 3.33Å; V489-V491 PolarHBondContact O-N 2.79Å; V489-I492 PolarHBondContact O-N 3.01Å; V489-F493 WeakPolarHBondContact O-CB 3.31Å; V489-F493 PolarHBondContact O-N 3.11Å
490	A	92.2	Very high	90.8	Very high	58 Å²	58	80.5 Å²	80.5	48%	0.479	50%	0.5	S	S	.	.	H	α-helix	trans	-62.4	-41.5	177.1	0	0	0	0	0	112.2	L486 V487 L488 F493 A494	L486-A490 WeakPolarHBondContact O-CB 3.43Å; L486-A490 PolarHBondContact O-N 2.99Å; V487-A490 WeakPolarHBondContact O-CB 3.14Å; V487-A490 PolarHBondContact O-N 2.76Å; L488-A490 VanDerWaalsContact C-N 3.33Å; L488-A490 PolarHBondContact O-N 2.87Å; A490-F493 PolarHBondContact O-N 3.22Å; A490-A494 WeakPolarHBondContact O-CB 3.36Å; A490-A494 PolarHBondContact O-N 2.84Å
491	V	94.8	Very high	90.4	Very high	91 Å²	91	84.6 Å²	84.6	55%	0.552	51%	0.51	S	S	*	.	H	α-helix	trans	-63.8	-44.1	176	171.5	0	0	0	0	111.1	V487 L488 V489 F493 A494 A495	V487-V491 HydrophobicContact CG1-CG2 4.44Å; V487-V491 WeakPolarHBondContact O-CG2 3.46Å; V487-V491 PolarHBondContact O-N 3.45Å; L488-V491 PolarHBondContact O-N 3.04Å; V489-V491 PolarHBondContact O-N 2.79Å; V491-F493 VanDerWaalsContact C-N 3.33Å; V491-F493 PolarHBondContact O-N 3.05Å; V491-A494 PolarHBondContact O-N 2.96Å; V491-A495 WeakPolarHBondContact O-CB 3.26Å; V491-A495 PolarHBondContact O-N 3.32Å
492	I	93.7	Very high	89.7	Confident	95 Å²	95	85 Å²	85	49%	0.487	51%	0.513	S	S	.	.	H	α-helix	trans	-61.2	-44.9	176.1	-68.2	166.2	0	0	0	110.2	L488 V489 A494 A495 T496	L488-I492 HydrophobicContact CG-CD1 4.18Å; L488-I492 VanDerWaalsContact O-CG1 3.3Å; L488-I492 WeakPolarHBondContact O-CG1 3.3Å; L488-I492 PolarHBondContact O-N 3.37Å; V489-I492 PolarHBondContact O-N 3.01Å; I492-A494 PolarHBondContact O-N 3.33Å; I492-A495 PolarHBondContact O-N 3.15Å; I492-T496 HydrophobicContact CG2-CG2 4.33Å; I492-T496 WeakPolarHBondContact O-CG2 3.28Å; I492-T496 PolarHBondContact O-N 3.38Å; I492-T496 PolarHBondContact O-OG1 3.46Å; I492-T496 VanDerWaalsContact O-OG1 3.08Å
493	F	92.7	Very high	88.8	Confident	142 Å²	142	90 Å²	90	62%	0.623	53%	0.525	S	S	*	.	H	α-helix	trans	-65.1	-39.2	179.7	-161.4	-91	0	0	0	112.4	V489 A490 V491 T496 T497	V489-F493 WeakPolarHBondContact O-CB 3.31Å; V489-F493 PolarHBondContact O-N 3.11Å; A490-F493 PolarHBondContact O-N 3.22Å; V491-F493 VanDerWaalsContact C-N 3.33Å; V491-F493 PolarHBondContact O-N 3.05Å; F493-T496 WeakPolarHBondContact CA-OG1 3.4Å; F493-T496 PolarHBondContact O-OG1 2.89Å; F493-T497 VanDerWaalsContact O-CB 3.27Å; F493-T497 WeakPolarHBondContact O-CB 3.47Å; F493-T497 PolarHBondContact O-N 3.32Å; F493-T497 PolarHBondContact O-OG1 3.41Å
494	A	90.2	Very high	87.4	Confident	52 Å²	52	89.2 Å²	89.2	43%	0.43	52%	0.524	S	S	.	.	H	α-helix	trans	-64.3	-44.9	173.6	0	0	0	0	0	111.2	A490 V491 I492 T497 C498	A490-A494 WeakPolarHBondContact O-CB 3.36Å; A490-A494 PolarHBondContact O-N 2.84Å; V491-A494 PolarHBondContact O-N 2.96Å; I492-A494 PolarHBondContact O-N 3.33Å; A494-T497 PolarHBondContact O-N 2.91Å; A494-C498 WeakPolarHBondContact O-CB 3.45Å; A494-C498 PolarHBondContact O-N 2.88Å; A494-C498 PolarHBondContact O-SG 2.65Å; A494-C498 VanDerWaalsContact O-SG 3.32Å
495	A	91	Very high	85.9	Confident	59 Å²	59	96 Å²	96	49%	0.488	54%	0.537	S	S	.	.	H	α-helix	trans	-63.4	-43.8	178.2	0	0	0	0	0	112.3	V491 I492 C498 A499	V491-A495 WeakPolarHBondContact O-CB 3.26Å; V491-A495 PolarHBondContact O-N 3.32Å; I492-A495 PolarHBondContact O-N 3.15Å; A495-C498 PolarHBondContact O-N 2.92Å; A495-A499 WeakPolarHBondContact O-CB 3.33Å; A495-A499 PolarHBondContact O-N 3.03Å
496	T	88.7	Confident	84.2	Confident	70 Å²	70	101.2 Å²	101.2	43%	0.429	55%	0.55	S	S	.	*	H	α-helix	trans	-66.7	-41.1	176.6	54.3	0	0	0	0	111.4	I492 F493 C498 A499 V500	I492-T496 HydrophobicContact CG2-CG2 4.33Å; I492-T496 WeakPolarHBondContact O-CG2 3.28Å; I492-T496 PolarHBondContact O-N 3.38Å; I492-T496 PolarHBondContact O-OG1 3.46Å; I492-T496 VanDerWaalsContact O-OG1 3.08Å; F493-T496 WeakPolarHBondContact CA-OG1 3.4Å; F493-T496 PolarHBondContact O-OG1 2.89Å; T496-C498 VanDerWaalsContact C-N 3.35Å; T496-C498 PolarHBondContact O-N 2.88Å; T496-A499 PolarHBondContact O-N 3.01Å; T496-V500 WeakPolarHBondContact O-CB 3.29Å; T496-V500 VanDerWaalsContact O-CG2 3.29Å; T496-V500 WeakPolarHBondContact O-CG2 3.33Å; T496-V500 PolarHBondContact O-N 2.8Å
497	T	88.1	Confident	82.3	Confident	48 Å²	48	103.4 Å²	103.4	29%	0.294	56%	0.559	S	S	.	*	H	α-helix	trans	-62.2	-42.6	175.2	-57.6	0	0	0	0	111.5	F493 A494 V500 R501	F493-T497 VanDerWaalsContact O-CB 3.27Å; F493-T497 WeakPolarHBondContact O-CB 3.47Å; F493-T497 PolarHBondContact O-N 3.32Å; F493-T497 PolarHBondContact O-OG1 3.41Å; A494-T497 PolarHBondContact O-N 2.91Å; T497-V500 PolarHBondContact O-N 3.12Å; T497-R501 WeakPolarHBondContact O-CB 3.36Å; T497-R501 WeakPolarHBondContact O-CG 3.36Å; T497-R501 PolarHBondContact O-N 3.17Å
498	C	85.9	Confident	80.2	Confident	83 Å²	83	106.1 Å²	106.1	56%	0.561	57%	0.566	S	S	*	*	H	α-helix	trans	-63.2	-42.9	173.7	-76.2	0	0	0	0	111.9	A494 A495 T496 R501 A502	A494-C498 WeakPolarHBondContact O-CB 3.45Å; A494-C498 PolarHBondContact O-N 2.88Å; A494-C498 PolarHBondContact O-SG 2.65Å; A494-C498 VanDerWaalsContact O-SG 3.32Å; A495-C498 PolarHBondContact O-N 2.92Å; T496-C498 VanDerWaalsContact C-N 3.35Å; T496-C498 PolarHBondContact O-N 2.88Å; C498-R501 PolarHBondContact O-N 3Å; C498-A502 VanDerWaalsContact O-CB 3.31Å; C498-A502 WeakPolarHBondContact O-CB 3.43Å; C498-A502 PolarHBondContact O-N 3.04Å
499	A	83.3	Confident	78.1	Confident	59 Å²	59	103.9 Å²	103.9	49%	0.488	57%	0.57	S	S	.	*	H	α-helix	trans	-64.9	-41	177.3	0	0	0	0	0	112.4	A495 T496 A502 R503	A495-A499 WeakPolarHBondContact O-CB 3.33Å; A495-A499 PolarHBondContact O-N 3.03Å; T496-A499 PolarHBondContact O-N 3.01Å; A499-A502 PolarHBondContact O-N 3.25Å; A499-R503 WeakPolarHBondContact O-CB 3.36Å; A499-R503 PolarHBondContact O-N 3.35Å
500	V	82.3	Confident	75.8	Confident	99 Å²	99	107.1 Å²	107.1	60%	0.6	58%	0.578	S	S	*	*	H	α-helix	trans	-66	-44.7	175.8	171.2	0	0	0	0	110.8	T496 T497 A502 R503 S504	T496-V500 WeakPolarHBondContact O-CB 3.29Å; T496-V500 VanDerWaalsContact O-CG2 3.29Å; T496-V500 WeakPolarHBondContact O-CG2 3.33Å; T496-V500 PolarHBondContact O-N 2.8Å; T497-V500 PolarHBondContact O-N 3.12Å; V500-A502 VanDerWaalsContact C-N 3.35Å; V500-A502 PolarHBondContact O-N 2.89Å; V500-R503 PolarHBondContact O-N 3.44Å; V500-S504 WeakPolarHBondContact O-CB 3.36Å; V500-S504 PolarHBondContact O-N 3.36Å
501	R	77.4	Confident	73.4	Confident	175 Å²	175	112.8 Å²	112.8	66%	0.66	60%	0.595	S	S	*	*	H	α-helix	trans	-62.7	-39.5	174.6	-80.4	-177.7	172.7	164.9	-1	112.4	T497 C498 S504 R505	T497-R501 WeakPolarHBondContact O-CB 3.36Å; T497-R501 WeakPolarHBondContact O-CG 3.36Å; T497-R501 PolarHBondContact O-N 3.17Å; C498-R501 PolarHBondContact O-N 3Å; R501-S504 PolarHBondContact O-N 3.04Å; R501-R505 WeakPolarHBondContact O-CG 3.36Å; R501-R505 PolarHBondContact O-N 2.86Å
502	A	75.1	Confident	70.9	Confident	64 Å²	64	113.5 Å²	113.5	53%	0.529	60%	0.601	S	S	.	*	H	α-helix	trans	-65.4	-39.5	175.3	0	0	0	0	0	112	C498 A499 V500 K506	C498-A502 VanDerWaalsContact O-CB 3.31Å; C498-A502 WeakPolarHBondContact O-CB 3.43Å; C498-A502 PolarHBondContact O-N 3.04Å; A499-A502 PolarHBondContact O-N 3.25Å; V500-A502 VanDerWaalsContact C-N 3.35Å; V500-A502 PolarHBondContact O-N 2.89Å; A502-K506 PolarHBondContact O-N 2.91Å; A502-K506 VanDerWaalsContact O-N 3.12Å
503	R	73.1	Confident	68.7	Low	201 Å²	201	117.6 Å²	117.6	76%	0.758	62%	0.623	S	S	*	*	H	α-helix	trans	-66.4	-42.4	173.4	-105.9	-177.7	169.3	177	-2.6	112.6	A499 V500 K506 M507	A499-R503 WeakPolarHBondContact O-CB 3.36Å; A499-R503 PolarHBondContact O-N 3.35Å; V500-R503 PolarHBondContact O-N 3.44Å; R503-K506 WeakPolarHBondContact O-CB 3.41Å; R503-K506 PolarHBondContact O-N 3.02Å; R503-K506 VanDerWaalsContact O-N 3.14Å; R503-M507 PolarHBondContact O-N 2.99Å
504	S	64.6	Low	66.3	Low	65 Å²	65	119 Å²	119	46%	0.455	64%	0.636	S	S	.	*	H	α-helix	trans	-62.9	-43.8	177.3	173.7	0	0	0	0	111.7	V500 R501 K506 M507 E508	V500-S504 WeakPolarHBondContact O-CB 3.36Å; V500-S504 PolarHBondContact O-N 3.36Å; R501-S504 PolarHBondContact O-N 3.04Å; S504-K506 VanDerWaalsContact C-N 3.27Å; S504-K506 PolarHBondContact O-N 3.42Å; S504-M507 PolarHBondContact O-N 2.98Å; S504-M507 VanDerWaalsContact O-N 3.11Å; S504-E508 PolarHBondContact O-N 3.11Å
505	R	60.4	Low	63.8	Low	199 Å²	199	119.3 Å²	119.3	75%	0.751	65%	0.645	S	S	*	*	H	α-helix	trans	-61.7	-32.6	171.8	-76.1	-176.8	176.7	-178.7	-1	113.3	R501 M507 G509	R501-R505 WeakPolarHBondContact O-CG 3.36Å; R501-R505 PolarHBondContact O-N 2.86Å; R505-M507 VanDerWaalsContact C-N 3.33Å; R505-G509 PolarHBondContact O-N 3.11Å
506	K	57.2	Low	61.3	Low	164 Å²	164	123.8 Å²	123.8	71%	0.713	66%	0.661	S	S	*	*	H	α-helix	trans	-72.1	-26.8	176.1	-149.7	178.9	-174.5	-177.6	0	112.6	A502 R503 S504 H510	A502-K506 PolarHBondContact O-N 2.91Å; A502-K506 VanDerWaalsContact O-N 3.12Å; R503-K506 WeakPolarHBondContact O-CB 3.41Å; R503-K506 PolarHBondContact O-N 3.02Å; R503-K506 VanDerWaalsContact O-N 3.14Å; S504-K506 VanDerWaalsContact C-N 3.27Å; S504-K506 PolarHBondContact O-N 3.42Å; K506-H510 PolarHBondContact O-ND1 2.95Å
507	M	54.6	Low	58.8	Low	157 Å²	157	128.2 Å²	128.2	77%	0.773	68%	0.676	S	S	*	*	H	α-helix	trans	-80.2	-34.1	173.7	-80.2	-172.3	67.3	0	0	113.2	R503 S504 R505 G509 H510	R503-M507 PolarHBondContact O-N 2.99Å; S504-M507 PolarHBondContact O-N 2.98Å; S504-M507 VanDerWaalsContact O-N 3.11Å; R505-M507 VanDerWaalsContact C-N 3.33Å; M507-G509 PolarHBondContact O-N 3.48Å; M507-H510 PolarHBondContact O-N 3.13Å
508	E	51.2	Low	56.3	Low	145 Å²	145	135.3 Å²	135.3	68%	0.678	70%	0.699	S	S	*	*	H	α-helix	trans	-67.3	-21.7	172.9	-84.1	177.2	153.7	0	0	113.2	S504 H510	S504-E508 PolarHBondContact O-N 3.11Å; E508-H510 PolarHBondContact O-N 3.25Å
509	G	48.8	Very low	53.7	Low	63 Å²	63	140.9 Å²	140.9	65%	0.649	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	2.7	173.7	0	0	0	0	0	115.8	R505 M507	R505-G509 PolarHBondContact O-N 3.11Å; M507-G509 PolarHBondContact O-N 3.48Å
510	H	46	Very low	51.4	Low	160 Å²	160	147.5 Å²	147.5	74%	0.741	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.8	21.2	-175.8	-80.3	82.2	0	0	0	114.9	K506 M507 E508	K506-H510 PolarHBondContact O-ND1 2.95Å; M507-H510 PolarHBondContact O-N 3.13Å; E508-H510 PolarHBondContact O-N 3.25Å
511	Q	41.4	Very low	49.2	Very low	177 Å²	177	153 Å²	153	83%	0.827	74%	0.741	S	S	*	*			trans	-98.3	113.1	168.7	-119.3	172	-20.8	0	0	110.5
512	P	44.1	Very low	47.4	Very low	107 Å²	107	150.2 Å²	150.2	70%	0.695	74%	0.739	S	S	*	*			trans	-77.7	130.8	-177.2	29.1	-30.9	0	0	0	111.6	L514	P512-L514 PolarHBondContact O-N 2.84Å
513	L	47.4	Very low	45.8	Very low	180 Å²	180	154 Å²	154	94%	0.942	75%	0.75	S	S	*	*			trans	-65.7	104.1	160.1	-80.1	156.2	0	0	0	108.5
514	L	41.6	Very low	44.3	Very low	171 Å²	171	150.6 Å²	150.6	90%	0.895	75%	0.747	S	S	*	*			trans	-91	101.2	165.2	-86.8	161.6	0	0	0	108.6	P512	P512-L514 PolarHBondContact O-N 2.84Å
515	G	37.9	Very low	43.1	Very low	60 Å²	60	156.4 Å²	156.4	62%	0.619	76%	0.764	S	S	*	*			trans	-109.9	130.7	159.3	0	0	0	0	0	109.5
516	D	39	Very low	42	Very low	153 Å²	153	149.9 Å²	149.9	82%	0.818	76%	0.759	S	S	*	*			trans	65.9	133.1	152.8	-80.5	4.6	0	0	0	117.9
517	Q	36.3	Very low	41.2	Very low	162 Å²	162	151.3 Å²	151.3	76%	0.757	77%	0.768	S	S	*	*			cis	-167.8	144.2	40.6	-114.7	166.4	4.2	0	0	111.9
518	Y	35.1	Very low	40.5	Very low	197 Å²	197	148.3 Å²	148.3	77%	0.773	76%	0.763	S	S	*	*			trans	44.5	132.9	135.9	-81.4	-105.8	0	0	0	123.2
519	Q	30.6	Very low	40	Very low	201 Å²	201	147.8 Å²	147.8	94%	0.939	77%	0.769	S	S	*	*				-149.5	135.2	121	-117.6	169.7	-4.3	0	0	112.8
520	R	35.6	Very low	39.8	Very low	197 Å²	197	154.5 Å²	154.5	74%	0.743	80%	0.798	S	S	*	*			trans	-98.4	146.6	-179.4	174.3	-167.2	-112.6	165.5	-4.3	109
521	Y	35.4	Very low	39.5	Very low	216 Å²	216	154.3 Å²	154.3	85%	0.847	80%	0.8	S	S	*	*			trans	158.3	141.5	148.2	-93.1	-74.4	0	0	0	105.8
522	D	40.9	Very low	39.4	Very low	115 Å²	115	153.1 Å²	153.1	62%	0.615	80%	0.799	S	S	*	*			cis	-174.4	152.6	-27.9	-121.2	-18.6	0	0	0	104.3
523	D	41	Very low	39.1	Very low	144 Å²	144	155.6 Å²	155.6	77%	0.77	81%	0.805	S	S	*	*			trans	57.6	109.8	153.3	-81.2	-10.4	0	0	0	123
524	D	41	Very low	38.6	Very low	130 Å²	130	154.2 Å²	154.2	70%	0.695	80%	0.797	S	S	*	*				94.5	106.7	110.7	-150	29.7	0	0	0	118.5
525	K	38.9	Very low	38.5	Very low	186 Å²	186	153.1 Å²	153.1	81%	0.809	79%	0.791	S	S	*	*				160.6	140.8	111.3	-90.6	-179	-179.9	170.5	0	114.4
526	G	38.7	Very low	38.5	Very low	63 Å²	63	159.3 Å²	159.3	65%	0.649	80%	0.802	S	S	*	*			trans	91.8	104.8	145.1	0	0	0	0	0	114.3
527	Q	40.4	Very low	38.5	Very low	193 Å²	193	159.8 Å²	159.8	90%	0.902	80%	0.801	S	S	*	*				59.3	128.8	95.3	-79.7	179.6	-19.6	0	0	112
528	S	38.9	Very low	38.6	Very low	94 Å²	94	159.6 Å²	159.6	66%	0.657	80%	0.804	S	S	*	*			cis	172.9	149.8	14.3	46.4	0	0	0	0	105.6
529	V	41.9	Very low	38.9	Very low	134 Å²	134	156.5 Å²	156.5	81%	0.812	81%	0.807	S	S	*	*			trans	54.8	113.7	137.7	-176.1	0	0	0	0	115.7
530	V	43.7	Very low	39.7	Very low	205 Å²	205	152.5 Å²	152.5	100%	1.242	80%	0.795	S	S	*	*			cis	-149.9	0	47.5	173.2	0	0	0	0	108.5

Retrieved 530 of 530 residues in 1152.1 ms (Link to these results)

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