YL236_YEAST Loading...

Uncharacterized protein YLR236C

AlphaFold DB , UniProt , Accession A0A023PZG4, Species YEAST (Saccharomyces cerevisiae (strain ATCC 204508 / S288c), Baker's yeast), Gene n/a, Length 107 aa.

						>YL236_YEAST|A0A023PZG4
MHTICLRSPIDESSPLPYKSIRQPLENAHSCQALCSLMAVLCASAAHRLSETFPMRLVVAREYANWGAFQHAFTRRAGASVAATSAWFDAVAAGTENAHMQSAESCN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	25.4	Very low	27.4	Very low	227 Å²	227	133.9 Å²	133.9	100%	1.118	70%	0.701	S	S	*	*				0	104.3	0	-161.1	172.2	-179.3	0	0	106.7
2	H	21.7	Very low	28.2	Very low	188 Å²	188	138.4 Å²	138.4	87%	0.87	72%	0.716	S	S	*	*			trans	-98.7	106.6	177.5	-74.3	-15.6	0	0	0	108.1	I4	H2-I4 PolarHBondContact O-N 3.47Å
3	T	23.1	Very low	29.1	Very low	120 Å²	120	135.7 Å²	135.7	74%	0.736	72%	0.717	S	S	*	*			trans	-79.6	104.5	169.6	-54	0	0	0	0	107.1	C5	T3-C5 PolarHBondContact O-N 3.24Å
4	I	24.1	Very low	29.5	Very low	137 Å²	137	130 Å²	130	70%	0.703	69%	0.693	S	S	*	*			trans	-80.5	114.3	169	-60.2	175.6	0	0	0	106.3	H2 L6	H2-I4 PolarHBondContact O-N 3.47Å; I4-L6 PolarHBondContact O-N 2.7Å
5	C	22.4	Very low	30.1	Very low	105 Å²	105	130.1 Å²	130.1	71%	0.709	70%	0.704	S	S	*	*			trans	-72.7	111.2	173.1	-66.1	0	0	0	0	109.1	T3 R7	T3-C5 PolarHBondContact O-N 3.24Å; C5-R7 PolarHBondContact O-N 2.95Å
6	L	28.9	Very low	30.3	Very low	76 Å²	76	128.1 Å²	128.1	40%	0.398	69%	0.692	S	S	.	*			trans	-61.7	99.5	169.7	-67.5	167.1	0	0	0	108.5	I4 S8 I10 V58	I4-L6 PolarHBondContact O-N 2.7Å; L6-S8 VanDerWaalsContact C-N 3.3Å; L6-S8 PolarHBondContact O-N 3.27Å; L6-I10 HydrophobicContact CD1-CD1 4.44Å; L6-V58 HydrophobicContact CD2-CG1 4.09Å
7	R	26.1	Very low	31.2	Very low	250 Å²	250	123 Å²	123	94%	0.943	67%	0.667	S	S	*	*			trans	-91.8	65.2	179	-129.4	-178.6	-174.8	168.4	0.2	109.4	C5	C5-R7 PolarHBondContact O-N 2.95Å
8	S	27.7	Very low	31.5	Very low	76 Å²	76	119.7 Å²	119.7	53%	0.531	64%	0.644	S	S	.	*	S	Bend	trans	-140	138.8	158.7	-152.6	0	0	0	0	106.6	L6 I10	L6-S8 VanDerWaalsContact C-N 3.3Å; L6-S8 PolarHBondContact O-N 3.27Å; S8-I10 PolarHBondContact O-N 3.35Å
9	P	31.4	Very low	31.8	Very low	130 Å²	130	122.2 Å²	122.2	84%	0.844	65%	0.648	S	S	*	*			trans	-70.6	78.1	-177.8	30.1	-33	0	0	0	108.8	D11	P9-D11 PolarHBondContact O-N 3.1Å; P9-D11 VanDerWaalsContact O-N 3.1Å
10	I	35.7	Very low	32.3	Very low	68 Å²	68	120.1 Å²	120.1	35%	0.349	64%	0.644	S	S	.	*			trans	-67.2	105	161.2	-58.4	169.2	0	0	0	103.3	L6 S8 E12 M55	L6-I10 HydrophobicContact CD1-CD1 4.44Å; S8-I10 PolarHBondContact O-N 3.35Å; I10-E12 PolarHBondContact O-N 2.95Å; I10-M55 HydrophobicContact CD1-CE 4.21Å; I10-M55 HydrophobicContact CD1-SD 4.32Å; I10-M55 HydrophobicContact CG2-CE 4.05Å
11	D	35.2	Very low	32.7	Very low	96 Å²	96	115.5 Å²	115.5	51%	0.513	62%	0.619	S	S	.	*			trans	-55.7	103.1	175	-169.1	-30.5	0	0	0	108.4	P9 S13 S14	P9-D11 PolarHBondContact O-N 3.1Å; P9-D11 VanDerWaalsContact O-N 3.1Å; D11-S13 PolarHBondContact O-N 3.17Å; D11-S13 VanDerWaalsContact O-N 3.17Å; D11-S13 WeakPolarHBondContact OD1-CA 2.95Å; D11-S13 WeakPolarHBondContact OD1-CB 3.1Å; D11-S13 PolarHBondContact OD1-N 3.2Å; D11-S13 PolarHBondContact OD1-OG 2.66Å; D11-S14 VanDerWaalsContact O-CB 3.23Å; D11-S14 WeakPolarHBondContact O-CB 3.47Å; D11-S14 PolarHBondContact O-N 2.89Å; D11-S14 PolarHBondContact OD1-N 2.76Å
12	E	36.9	Very low	33.3	Very low	188 Å²	188	109.7 Å²	109.7	88%	0.879	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-15.3	174.3	-83.1	-164.6	86.3	0	0	112.2	I10	I10-E12 PolarHBondContact O-N 2.95Å
13	S	39.1	Very low	34.2	Very low	103 Å²	103	106.8 Å²	106.8	72%	0.72	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-7.5	173.7	-8.8	0	0	0	0	112.4	D11 P15	D11-S13 PolarHBondContact O-N 3.17Å; D11-S13 VanDerWaalsContact O-N 3.17Å; D11-S13 WeakPolarHBondContact OD1-CA 2.95Å; D11-S13 WeakPolarHBondContact OD1-CB 3.1Å; D11-S13 PolarHBondContact OD1-N 3.2Å; D11-S13 PolarHBondContact OD1-OG 2.66Å; S13-P15 WeakPolarHBondContact O-CD 3.33Å
14	S	35.1	Very low	34.9	Very low	56 Å²	56	104.5 Å²	104.5	39%	0.392	56%	0.559	S	S	.	*			trans	-63.8	121.6	172.1	-172.9	0	0	0	0	109.2	D11 L16	D11-S14 VanDerWaalsContact O-CB 3.23Å; D11-S14 WeakPolarHBondContact O-CB 3.47Å; D11-S14 PolarHBondContact O-N 2.89Å; D11-S14 PolarHBondContact OD1-N 2.76Å; S14-L16 PolarHBondContact O-N 3.39Å
15	P	38.5	Very low	35.7	Very low	132 Å²	132	98.6 Å²	98.6	86%	0.857	53%	0.528	S	S	*	.			trans	-70.8	0.2	179.4	28.2	-33.5	0	0	0	113.2	S13	S13-P15 WeakPolarHBondContact O-CD 3.33Å
16	L	33	Very low	36.6	Very low	98 Å²	98	97.4 Å²	97.4	51%	0.513	51%	0.512	S	S	.	.	S	Bend	trans	-89.9	151.1	177.6	-77.2	163.5	0	0	0	112	S14 Y18	S14-L16 PolarHBondContact O-N 3.39Å; L16-Y18 PolarHBondContact O-N 2.93Å
17	P	45.2	Very low	37.2	Very low	41 Å²	41	99.9 Å²	99.9	27%	0.266	53%	0.526	S	S	.	.	S	Bend		-91.4	60.6	-128	34.5	-36.3	0	0	0	112.8	S20 I21	P17-S20 PolarHBondContact O-N 2.87Å; P17-I21 HydrophobicContact CB-CG1 4.47Å; P17-I21 HydrophobicContact CG-CD1 3.99Å; P17-I21 HydrophobicContact CG-CG1 4.22Å; P17-I21 WeakPolarHBondContact O-CB 3.28Å; P17-I21 WeakPolarHBondContact O-CG1 3.4Å; P17-I21 PolarHBondContact O-N 3.24Å
18	Y	36.6	Very low	37.8	Very low	63 Å²	63	88.5 Å²	88.5	25%	0.247	49%	0.485	C	S	.	.	H	α-helix	trans	-63.9	-46.7	171.6	-167.7	-116.4	0	0	0	111.1	L16 S20 I21 R22 M55	L16-Y18 PolarHBondContact O-N 2.93Å; Y18-S20 PolarHBondContact O-N 3.44Å; Y18-I21 PolarHBondContact O-N 3.4Å; Y18-R22 VanDerWaalsContact O-CB 3.24Å; Y18-R22 WeakPolarHBondContact O-CB 3.23Å; Y18-R22 PolarHBondContact O-N 3.39Å; Y18-M55 HydrophobicContact CD2-CE 3.09Å; Y18-M55 HydrophobicContact CE2-CE 3.57Å; Y18-M55 HydrophobicContact CG-CE 3.91Å
19	K	37.8	Very low	38.4	Very low	168 Å²	168	93.6 Å²	93.6	73%	0.73	50%	0.5	S	S	*	.	H	α-helix	trans	-60.6	-43.8	172.5	-78.3	-177.5	178.7	171.7	0	112.1	I21 Q23	K19-I21 VanDerWaalsContact C-N 3.29Å; K19-I21 PolarHBondContact O-N 3.23Å; K19-Q23 VanDerWaalsContact O-CB 3.26Å; K19-Q23 WeakPolarHBondContact O-CB 3.47Å; K19-Q23 PolarHBondContact O-N 2.89Å
20	S	41.4	Very low	38.8	Very low	79 Å²	79	90.3 Å²	90.3	55%	0.552	48%	0.481	S	S	*	.	H	α-helix	trans	-73.3	-15.8	-178.6	152.1	0	0	0	0	114	P17 Y18 P24	P17-S20 PolarHBondContact O-N 2.87Å; Y18-S20 PolarHBondContact O-N 3.44Å; S20-P24 WeakPolarHBondContact O-CD 3.2Å; S20-P24 WeakPolarHBondContact O-CG 3.24Å
21	I	41	Very low	39.1	Very low	25 Å²	25	91.9 Å²	91.9	13%	0.128	50%	0.497	C	S	.	.	H	α-helix	trans	-93	-45	170.8	-67	168.2	0	0	0	110.2	P17 Y18 K19 Q23 P24 L25 R56 V59	P17-I21 HydrophobicContact CB-CG1 4.47Å; P17-I21 HydrophobicContact CG-CD1 3.99Å; P17-I21 HydrophobicContact CG-CG1 4.22Å; P17-I21 WeakPolarHBondContact O-CB 3.28Å; P17-I21 WeakPolarHBondContact O-CG1 3.4Å; P17-I21 PolarHBondContact O-N 3.24Å; Y18-I21 PolarHBondContact O-N 3.4Å; K19-I21 VanDerWaalsContact C-N 3.29Å; K19-I21 PolarHBondContact O-N 3.23Å; I21-Q23 VanDerWaalsContact C-N 3.34Å; I21-Q23 PolarHBondContact O-N 3.42Å; I21-P24 VanDerWaalsContact O-CD 3.23Å; I21-P24 WeakPolarHBondContact O-CD 3.32Å; I21-L25 HydrophobicContact CG2-CD1 3.36Å; I21-L25 WeakPolarHBondContact O-CB 3.42Å; I21-L25 WeakPolarHBondContact O-CD1 3.38Å; I21-L25 PolarHBondContact O-N 2.81Å; I21-R56 HydrophobicContact CD1-CG 4.38Å; I21-V59 HydrophobicContact CG2-CG1 4.33Å; I21-V59 HydrophobicContact CG2-CG2 4.07Å
22	R	38.3	Very low	39.4	Very low	104 Å²	104	94.5 Å²	94.5	39%	0.392	51%	0.506	S	S	.	.	H	α-helix	trans	-60.9	-42	-178.5	-161.2	-172.4	-160.9	-139	13.6	112.1	Y18 L25 E26 Y63	Y18-R22 VanDerWaalsContact O-CB 3.24Å; Y18-R22 WeakPolarHBondContact O-CB 3.23Å; Y18-R22 PolarHBondContact O-N 3.39Å; R22-L25 CarbonylContact O-C 3.42Å; R22-L25 WeakPolarHBondContact O-CA 3.46Å; R22-L25 PolarHBondContact O-N 3.21Å; R22-E26 HydrophobicContact CG-CG 4.04Å; R22-E26 IonicContact CZ-OE1 2.99Å; R22-E26 IonicContact NE-OE1 3.23Å; R22-E26 PolarHBondContact NE-OE1 3.02Å; R22-E26 IonicContact NH1-OE1 2.81Å; R22-E26 PolarHBondContact NH1-OE1 2.94Å; R22-E26 IonicContact NH2-OE1 3.68Å; R22-E26 PolarHBondContact O-N 2.92Å; R22-Y63 PolarHBondContact NE-OH 2.98Å
23	Q	39.9	Very low	39.6	Very low	127 Å²	127	87.1 Å²	87.1	59%	0.593	48%	0.477	S	S	*	.	H	α-helix	trans	-68.2	-42.2	-175.5	-159.2	170.9	14.3	0	0	113.7	K19 I21 L25 N27	K19-Q23 VanDerWaalsContact O-CB 3.26Å; K19-Q23 WeakPolarHBondContact O-CB 3.47Å; K19-Q23 PolarHBondContact O-N 2.89Å; I21-Q23 VanDerWaalsContact C-N 3.34Å; I21-Q23 PolarHBondContact O-N 3.42Å; Q23-L25 PolarHBondContact O-N 3.42Å; Q23-N27 WeakPolarHBondContact O-CB 3.49Å; Q23-N27 PolarHBondContact O-N 2.88Å; Q23-N27 PolarHBondContact O-ND2 3.07Å
24	P	38.8	Very low	39.9	Very low	72 Å²	72	84 Å²	84	47%	0.468	45%	0.452	S	S	.	.	H	α-helix	trans	-60.7	-32.5	166.3	-10	10.5	0	0	0	112.4	S20 I21 N27 A28	S20-P24 WeakPolarHBondContact O-CD 3.2Å; S20-P24 WeakPolarHBondContact O-CG 3.24Å; I21-P24 VanDerWaalsContact O-CD 3.23Å; I21-P24 WeakPolarHBondContact O-CD 3.32Å; P24-N27 CarbonylContact O-C 3.52Å; P24-A28 VanDerWaalsContact O-CA 3.32Å; P24-A28 WeakPolarHBondContact O-CA 3.24Å; P24-A28 WeakPolarHBondContact O-CB 3.45Å; P24-A28 PolarHBondContact O-N 2.92Å
25	L	40.8	Very low	40.4	Very low	13 Å²	13	85.2 Å²	85.2	7%	0.068	46%	0.46	C	S	.	.	H	α-helix	trans	-82.8	-38.4	-174.3	-90.1	127	0	0	0	116	I21 R22 Q23 N27 A28 L34 L37 V59 Y63	I21-L25 HydrophobicContact CG2-CD1 3.36Å; I21-L25 WeakPolarHBondContact O-CB 3.42Å; I21-L25 WeakPolarHBondContact O-CD1 3.38Å; I21-L25 PolarHBondContact O-N 2.81Å; R22-L25 CarbonylContact O-C 3.42Å; R22-L25 WeakPolarHBondContact O-CA 3.46Å; R22-L25 PolarHBondContact O-N 3.21Å; Q23-L25 PolarHBondContact O-N 3.42Å; L25-N27 PolarHBondContact O-N 3.41Å; L25-A28 PolarHBondContact O-N 2.89Å; L25-L34 HydrophobicContact CD2-CD2 4.02Å; L25-L37 HydrophobicContact CD1-CD2 4.32Å; L25-L37 HydrophobicContact CD2-CD2 3.97Å; L25-V59 HydrophobicContact CB-CG1 4.31Å; L25-V59 HydrophobicContact CD1-CG1 3.26Å; L25-V59 HydrophobicContact CD2-CG1 3.37Å; L25-V59 HydrophobicContact CG-CG1 3.76Å; L25-Y63 HydrophobicContact CB-CG 4.4Å; L25-Y63 HydrophobicContact CD2-CG 4.28Å
26	E	41.6	Very low	40.8	Very low	80 Å²	80	81.9 Å²	81.9	37%	0.374	44%	0.439	S	S	.	.	H	α-helix	trans	-61	-31.9	167	-74.3	177.3	153.8	0	0	110.7	R22 H29 Y63	R22-E26 HydrophobicContact CG-CG 4.04Å; R22-E26 IonicContact CZ-OE1 2.99Å; R22-E26 IonicContact NE-OE1 3.23Å; R22-E26 PolarHBondContact NE-OE1 3.02Å; R22-E26 IonicContact NH1-OE1 2.81Å; R22-E26 PolarHBondContact NH1-OE1 2.94Å; R22-E26 IonicContact NH2-OE1 3.68Å; R22-E26 PolarHBondContact O-N 2.92Å; E26-H29 PolarHBondContact O-CD2 3.5Å; E26-Y63 HydrophobicContact CG-CE1 3.77Å; E26-Y63 WeakPolarHBondContact CG-OH 3.45Å
27	N	41.9	Very low	41.6	Very low	128 Å²	128	78 Å²	78	68%	0.684	42%	0.419	S	S	*	.	S	Bend	trans	-88.4	-13.4	172.4	-66.9	-46.4	0	0	0	113.3	Q23 P24 L25 H29	Q23-N27 WeakPolarHBondContact O-CB 3.49Å; Q23-N27 PolarHBondContact O-N 2.88Å; Q23-N27 PolarHBondContact O-ND2 3.07Å; P24-N27 CarbonylContact O-C 3.52Å; L25-N27 PolarHBondContact O-N 3.41Å; N27-H29 PolarHBondContact O-N 3.06Å
28	A	37.4	Very low	41.8	Very low	11 Å²	11	77.6 Å²	77.6	9%	0.091	41%	0.414	C	S	.	.			trans	-83.4	58.4	-179.8	0	0	0	0	0	110.8	P24 L25 S30 A33	P24-A28 VanDerWaalsContact O-CA 3.32Å; P24-A28 WeakPolarHBondContact O-CA 3.24Å; P24-A28 WeakPolarHBondContact O-CB 3.45Å; P24-A28 PolarHBondContact O-N 2.92Å; L25-A28 PolarHBondContact O-N 2.89Å; A28-S30 PolarHBondContact O-N 3.34Å; A28-A33 HydrophobicContact CB-CB 3.25Å
29	H	40	Very low	42.4	Very low	183 Å²	183	77.5 Å²	77.5	85%	0.847	43%	0.426	S	S	*	.			trans	-73.4	10.5	157.4	-74.5	-78.9	0	0	0	112.2	E26 N27	E26-H29 PolarHBondContact O-CD2 3.5Å; N27-H29 PolarHBondContact O-N 3.06Å
30	S	40.7	Very low	42.9	Very low	61 Å²	61	72.2 Å²	72.2	43%	0.427	41%	0.408	S	S	.	.	S	Bend	trans	-101.3	128.7	173.6	79.4	0	0	0	0	110.7	A28 Q32 A33	A28-S30 PolarHBondContact O-N 3.34Å; S30-Q32 PolarHBondContact O-N 3.16Å; S30-A33 PolarHBondContact O-N 3.27Å
31	C	41.1	Very low	43.3	Very low	102 Å²	102	68.4 Å²	68.4	69%	0.689	38%	0.382	S	S	*	.	H	α-helix	trans	-46.7	-28.9	173.6	-69.1	0	0	0	0	113	L34 C35	C31-L34 PolarHBondContact O-N 3.37Å; C31-C35 WeakPolarHBondContact O-CB 3.42Å; C31-C35 PolarHBondContact O-N 2.84Å; C31-C35 PolarHBondContact O-SG 2.87Å
32	Q	42.9	Very low	43.7	Very low	150 Å²	150	68.8 Å²	68.8	70%	0.701	39%	0.386	S	S	*	.	H	α-helix	trans	-65.6	-39.5	-178.8	-173.1	167.2	-9.7	0	0	113.7	S30 C35 S36	S30-Q32 PolarHBondContact O-N 3.16Å; Q32-C35 PolarHBondContact O-N 3.32Å; Q32-S36 WeakPolarHBondContact O-CB 3.48Å; Q32-S36 PolarHBondContact O-N 2.83Å; Q32-S36 PolarHBondContact O-OG 3.19Å
33	A	41.5	Very low	44.1	Very low	33 Å²	33	66.4 Å²	66.4	27%	0.273	39%	0.389	S	S	.	.	H	α-helix	trans	-75.3	-32.8	178.4	0	0	0	0	0	111.7	A28 S30 S36 L37	A28-A33 HydrophobicContact CB-CB 3.25Å; S30-A33 PolarHBondContact O-N 3.27Å; A33-S36 PolarHBondContact O-N 3.37Å; A33-L37 WeakPolarHBondContact O-CB 3.31Å; A33-L37 PolarHBondContact O-N 3.44Å
34	L	45.2	Very low	44.3	Very low	37 Å²	37	60.9 Å²	60.9	19%	0.194	36%	0.364	C	S	.	.	H	α-helix	trans	-64.4	-44.7	167.6	-67.6	179	0	0	0	111.9	L25 C31 S36 L37 M38 A64	L25-L34 HydrophobicContact CD2-CD2 4.02Å; C31-L34 PolarHBondContact O-N 3.37Å; L34-S36 VanDerWaalsContact C-N 3.29Å; L34-S36 PolarHBondContact O-N 3.46Å; L34-L37 PolarHBondContact O-N 3.4Å; L34-M38 WeakPolarHBondContact O-CB 3.28Å; L34-M38 WeakPolarHBondContact O-CG 3.23Å; L34-M38 PolarHBondContact O-N 3.14Å; L34-A64 HydrophobicContact CD1-CB 4.17Å; L34-A64 HydrophobicContact CD2-CB 3.68Å; L34-A64 HydrophobicContact CG-CB 4.45Å
35	C	45.5	Very low	44.4	Very low	82 Å²	82	59.1 Å²	59.1	55%	0.554	36%	0.356	S	S	*	.	H	α-helix	trans	-61.1	-37.4	174.4	-74.4	0	0	0	0	112.2	C31 Q32 M38 A39	C31-C35 WeakPolarHBondContact O-CB 3.42Å; C31-C35 PolarHBondContact O-N 2.84Å; C31-C35 PolarHBondContact O-SG 2.87Å; Q32-C35 PolarHBondContact O-N 3.32Å; C35-M38 WeakPolarHBondContact O-CB 3.49Å; C35-M38 PolarHBondContact O-N 3.38Å; C35-A39 WeakPolarHBondContact O-CB 3.29Å; C35-A39 PolarHBondContact O-N 3.47Å
36	S	46.9	Very low	44.5	Very low	62 Å²	62	62.6 Å²	62.6	43%	0.434	39%	0.386	S	S	.	.	H	α-helix	trans	-68.4	-44.2	176.5	-58.1	0	0	0	0	111	Q32 A33 L34 M38 A39 V40	Q32-S36 WeakPolarHBondContact O-CB 3.48Å; Q32-S36 PolarHBondContact O-N 2.83Å; Q32-S36 PolarHBondContact O-OG 3.19Å; A33-S36 PolarHBondContact O-N 3.37Å; L34-S36 VanDerWaalsContact C-N 3.29Å; L34-S36 PolarHBondContact O-N 3.46Å; S36-M38 VanDerWaalsContact C-N 3.3Å; S36-M38 PolarHBondContact O-N 3.2Å; S36-A39 PolarHBondContact O-N 3.08Å; S36-V40 WeakPolarHBondContact O-CB 2.97Å; S36-V40 WeakPolarHBondContact O-CG2 3.26Å; S36-V40 PolarHBondContact O-N 3.39Å
37	L	48.8	Very low	44.4	Very low	17 Å²	17	65.6 Å²	65.6	9%	0.089	40%	0.4	C	S	.	.	H	α-helix	trans	-60.1	-42.8	172.9	-176.3	70.5	0	0	0	111	L25 A33 L34 V40 L41 R56 V59 A60	L25-L37 HydrophobicContact CD1-CD2 4.32Å; L25-L37 HydrophobicContact CD2-CD2 3.97Å; A33-L37 WeakPolarHBondContact O-CB 3.31Å; A33-L37 PolarHBondContact O-N 3.44Å; L34-L37 PolarHBondContact O-N 3.4Å; L37-V40 PolarHBondContact O-N 3.04Å; L37-L41 HydrophobicContact CD1-CD1 4.33Å; L37-L41 HydrophobicContact CD2-CD1 4.25Å; L37-L41 HydrophobicContact CG-CD1 3.81Å; L37-L41 HydrophobicContact CG-CG 4.49Å; L37-L41 VanDerWaalsContact O-CB 3.31Å; L37-L41 WeakPolarHBondContact O-CB 3.07Å; L37-L41 WeakPolarHBondContact O-CG 3.42Å; L37-L41 PolarHBondContact O-N 3.18Å; L37-R56 HydrophobicContact CD1-CB 4Å; L37-R56 HydrophobicContact CD1-CG 3.92Å; L37-V59 HydrophobicContact CD2-CB 4.36Å; L37-V59 HydrophobicContact CD2-CG1 3.6Å; L37-A60 HydrophobicContact CD2-CB 4.34Å
38	M	49	Very low	44.5	Very low	33 Å²	33	64.6 Å²	64.6	16%	0.163	39%	0.387	C	S	.	.	H	α-helix	trans	-60.2	-46.9	174.9	-75.3	-118.2	42.6	0	0	112.5	L34 C35 S36 V40 L41 C42 F69 A72	L34-M38 WeakPolarHBondContact O-CB 3.28Å; L34-M38 WeakPolarHBondContact O-CG 3.23Å; L34-M38 PolarHBondContact O-N 3.14Å; C35-M38 WeakPolarHBondContact O-CB 3.49Å; C35-M38 PolarHBondContact O-N 3.38Å; S36-M38 VanDerWaalsContact C-N 3.3Å; S36-M38 PolarHBondContact O-N 3.2Å; M38-V40 VanDerWaalsContact C-N 3.3Å; M38-V40 PolarHBondContact O-N 3.38Å; M38-L41 PolarHBondContact O-N 3.37Å; M38-C42 VanDerWaalsContact O-CB 3.28Å; M38-C42 WeakPolarHBondContact O-CB 3.17Å; M38-C42 PolarHBondContact O-N 3.33Å; M38-C42 PolarHBondContact O-SG 3Å; M38-F69 HydrophobicContact CB-CE2 4.47Å; M38-F69 HydrophobicContact CE-CB 4.4Å; M38-F69 HydrophobicContact CE-CD2 3.16Å; M38-F69 HydrophobicContact CE-CE2 3.21Å; M38-F69 HydrophobicContact CE-CG 3.85Å; M38-F69 HydrophobicContact CE-CZ 4.01Å; M38-F69 HydrophobicContact CG-CD2 3.62Å; M38-F69 HydrophobicContact CG-CE2 3.86Å; M38-F69 HydrophobicContact SD-CB 4Å; M38-F69 HydrophobicContact SD-CD2 3.14Å; M38-F69 WeakPolarHBondContact SD-CD2 3.37Å; M38-F69 HydrophobicContact SD-CE2 3.74Å; M38-F69 HydrophobicContact SD-CG 3.91Å; M38-A72 HydrophobicContact CE-CB 3.79Å; M38-A72 HydrophobicContact SD-CB 4.33Å
39	A	48.8	Very low	44.8	Very low	61 Å²	61	72.1 Å²	72.1	50%	0.504	42%	0.424	S	S	.	.	H	α-helix	trans	-61.7	-42.8	177.2	0	0	0	0	0	111.2	C35 S36 C42 A43	C35-A39 WeakPolarHBondContact O-CB 3.29Å; C35-A39 PolarHBondContact O-N 3.47Å; S36-A39 PolarHBondContact O-N 3.08Å; A39-C42 PolarHBondContact O-N 3.22Å; A39-A43 VanDerWaalsContact O-CB 3.26Å; A39-A43 WeakPolarHBondContact O-CB 3.45Å; A39-A43 PolarHBondContact O-N 2.89Å
40	V	48.9	Very low	45	Very low	56 Å²	56	65.6 Å²	65.6	34%	0.339	40%	0.399	S	S	.	.	H	α-helix	trans	-65.9	-41.2	177.6	168.7	0	0	0	0	111.4	S36 L37 M38 A43 S44	S36-V40 WeakPolarHBondContact O-CB 2.97Å; S36-V40 WeakPolarHBondContact O-CG2 3.26Å; S36-V40 PolarHBondContact O-N 3.39Å; L37-V40 PolarHBondContact O-N 3.04Å; M38-V40 VanDerWaalsContact C-N 3.3Å; M38-V40 PolarHBondContact O-N 3.38Å; V40-A43 PolarHBondContact O-N 3.04Å; V40-S44 VanDerWaalsContact O-CB 3.26Å; V40-S44 WeakPolarHBondContact O-CB 3.32Å; V40-S44 PolarHBondContact O-N 3.28Å; V40-S44 PolarHBondContact O-OG 3.37Å
41	L	50.8	Low	45.2	Very low	0 Å²	0	70.5 Å²	70.5	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-66.1	-45.4	174.1	-81.4	165.1	0	0	0	111.8	L37 M38 A43 S44 A45 F53 R56 L57 A60 F69	L37-L41 HydrophobicContact CD1-CD1 4.33Å; L37-L41 HydrophobicContact CD2-CD1 4.25Å; L37-L41 HydrophobicContact CG-CD1 3.81Å; L37-L41 HydrophobicContact CG-CG 4.49Å; L37-L41 VanDerWaalsContact O-CB 3.31Å; L37-L41 WeakPolarHBondContact O-CB 3.07Å; L37-L41 WeakPolarHBondContact O-CG 3.42Å; L37-L41 PolarHBondContact O-N 3.18Å; M38-L41 PolarHBondContact O-N 3.37Å; L41-A43 VanDerWaalsContact C-N 3.31Å; L41-A43 PolarHBondContact O-N 3.17Å; L41-S44 CarbonylContact O-C 3.5Å; L41-S44 PolarHBondContact O-N 3.03Å; L41-S44 VanDerWaalsContact O-N 3.13Å; L41-A45 PolarHBondContact O-N 2.74Å; L41-F53 HydrophobicContact CB-CE2 4.41Å; L41-F53 HydrophobicContact CD2-CD2 3.55Å; L41-F53 HydrophobicContact CD2-CE2 3.51Å; L41-F53 WeakPolarHBondContact O-CE2 3.28Å; L41-R56 HydrophobicContact CD1-CB 4Å; L41-R56 WeakPolarHBondContact CD1-O 3.1Å; L41-R56 HydrophobicContact CD2-CB 3.24Å; L41-R56 HydrophobicContact CD2-CG 4.38Å; L41-R56 HydrophobicContact CG-CB 3.7Å; L41-L57 HydrophobicContact CD2-CD1 4.29Å; L41-A60 HydrophobicContact CD1-CB 4.03Å; L41-F69 HydrophobicContact CB-CE2 3.98Å; L41-F69 HydrophobicContact CB-CZ 3.79Å; L41-F69 HydrophobicContact CD1-CD2 4.35Å; L41-F69 HydrophobicContact CD1-CE1 4.43Å; L41-F69 HydrophobicContact CD1-CE2 3.28Å; L41-F69 HydrophobicContact CD1-CZ 3.36Å; L41-F69 HydrophobicContact CG-CE2 4.22Å; L41-F69 HydrophobicContact CG-CZ 4.06Å
42	C	48.7	Very low	45.4	Very low	32 Å²	32	66.8 Å²	66.8	22%	0.216	39%	0.39	C	S	.	.	H	α-helix	trans	-62	-38.3	174.9	-73.7	0	0	0	0	112.1	M38 A39 A45 R76	M38-C42 VanDerWaalsContact O-CB 3.28Å; M38-C42 WeakPolarHBondContact O-CB 3.17Å; M38-C42 PolarHBondContact O-N 3.33Å; M38-C42 PolarHBondContact O-SG 3Å; A39-C42 PolarHBondContact O-N 3.22Å; C42-A45 PolarHBondContact O-N 3.39Å; C42-R76 HydrophobicContact CB-CG 4.47Å
43	A	46.3	Very low	45.7	Very low	55 Å²	55	60.3 Å²	60.3	46%	0.455	36%	0.359	S	S	.	.	H	α-helix	trans	-69.4	-37.2	173.1	0	0	0	0	0	111.6	A39 V40 L41 A45 A46 H47	A39-A43 VanDerWaalsContact O-CB 3.26Å; A39-A43 WeakPolarHBondContact O-CB 3.45Å; A39-A43 PolarHBondContact O-N 2.89Å; V40-A43 PolarHBondContact O-N 3.04Å; L41-A43 VanDerWaalsContact C-N 3.31Å; L41-A43 PolarHBondContact O-N 3.17Å; A43-A45 VanDerWaalsContact C-N 3.33Å; A43-A46 WeakPolarHBondContact O-CB 3.45Å; A43-A46 PolarHBondContact O-N 3.01Å; A43-H47 PolarHBondContact O-CD2 2.78Å; A43-H47 PolarHBondContact O-N 3.32Å
44	S	44.2	Very low	46.1	Very low	10 Å²	10	60.8 Å²	60.8	7%	0.07	36%	0.36	C	S	.	.	H	α-helix	trans	-70.9	-27.6	176.3	-55.3	0	0	0	0	112.1	V40 L41 A46 H47 F53 R56	V40-S44 VanDerWaalsContact O-CB 3.26Å; V40-S44 WeakPolarHBondContact O-CB 3.32Å; V40-S44 PolarHBondContact O-N 3.28Å; V40-S44 PolarHBondContact O-OG 3.37Å; L41-S44 CarbonylContact O-C 3.5Å; L41-S44 PolarHBondContact O-N 3.03Å; L41-S44 VanDerWaalsContact O-N 3.13Å; S44-A46 PolarHBondContact O-N 2.73Å; S44-H47 CarbonylContact O-C 2.95Å; S44-H47 VanDerWaalsContact O-CA 3.3Å; S44-H47 WeakPolarHBondContact O-CA 3.02Å; S44-H47 PolarHBondContact O-N 2.86Å; S44-F53 VanDerWaalsContact CB-CD2 3.41Å; S44-R56 PolarHBondContact OG-NH1 3.02Å
45	A	41.9	Very low	46.2	Very low	36 Å²	36	61.3 Å²	61.3	30%	0.298	36%	0.362	S	S	.	.	H	α-helix	trans	-63.1	-30.1	172	0	0	0	0	0	112.2	L41 C42 A43 H47 F53 F73	L41-A45 PolarHBondContact O-N 2.74Å; C42-A45 PolarHBondContact O-N 3.39Å; A43-A45 VanDerWaalsContact C-N 3.33Å; A45-H47 VanDerWaalsContact C-N 3.34Å; A45-F53 HydrophobicContact CB-CZ 4.25Å; A45-F73 HydrophobicContact CB-CE2 3.61Å; A45-F73 HydrophobicContact CB-CZ 3.9Å
46	A	43.4	Very low	46.4	Very low	86 Å²	86	60.1 Å²	60.1	71%	0.711	35%	0.345	S	S	*	.	H	α-helix	trans	-72.5	-28.7	169.6	0	0	0	0	0	112	A43 S44 R48	A43-A46 WeakPolarHBondContact O-CB 3.45Å; A43-A46 PolarHBondContact O-N 3.01Å; S44-A46 PolarHBondContact O-N 2.73Å; A46-R48 PolarHBondContact O-N 3.2Å
47	H	39.4	Very low	46.7	Very low	143 Å²	143	57.3 Å²	57.3	66%	0.662	33%	0.325	S	S	*	.	S	Bend	trans	-97.5	74.9	172.3	-69.7	-76	0	0	0	110.4	A43 S44 A45 L49 S50	A43-H47 PolarHBondContact O-CD2 2.78Å; A43-H47 PolarHBondContact O-N 3.32Å; S44-H47 CarbonylContact O-C 2.95Å; S44-H47 VanDerWaalsContact O-CA 3.3Å; S44-H47 WeakPolarHBondContact O-CA 3.02Å; S44-H47 PolarHBondContact O-N 2.86Å; A45-H47 VanDerWaalsContact C-N 3.34Å; H47-L49 PolarHBondContact O-N 3.47Å; H47-S50 PolarHBondContact O-N 2.96Å
48	R	42.6	Very low	46.8	Very low	107 Å²	107	58.2 Å²	58.2	40%	0.404	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-33.2	-18.3	-173.1	-92.7	-176.1	164.2	-179.5	-2.4	119.7	A46 E104	A46-R48 PolarHBondContact O-N 3.2Å; R48-E104 IonicContact NH1-OE2 2.89Å; R48-E104 PolarHBondContact NH1-OE2 3.02Å
49	L	43.5	Very low	46.9	Very low	169 Å²	169	56.8 Å²	56.8	89%	0.885	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-153	55.6	-172.5	-69.1	168.2	0	0	0	112.5	H47	H47-L49 PolarHBondContact O-N 3.47Å
50	S	45	Very low	47.2	Very low	46 Å²	46	53.9 Å²	53.9	32%	0.322	30%	0.301	S	S	.	.			trans	-75.8	129	160.6	-177.2	0	0	0	0	108.7	H47 T52 F53	H47-S50 PolarHBondContact O-N 2.96Å; S50-T52 PolarHBondContact O-N 2.88Å; S50-T52 PolarHBondContact OG-OG1 3.11Å; S50-F53 VanDerWaalsContact O-CB 3.28Å; S50-F53 WeakPolarHBondContact O-CB 3.41Å; S50-F53 PolarHBondContact O-N 3.05Å
51	E	44.5	Very low	47.3	Very low	164 Å²	164	57.5 Å²	57.5	77%	0.766	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-22.2	174	-64.2	-179.9	133	0	0	113
52	T	46.4	Very low	47.4	Very low	24 Å²	24	61.8 Å²	61.8	15%	0.147	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-8.9	-179.4	66.4	0	0	0	0	114.9	S50 M55 R56	S50-T52 PolarHBondContact O-N 2.88Å; S50-T52 PolarHBondContact OG-OG1 3.11Å; T52-M55 WeakPolarHBondContact O-CB 3.21Å; T52-M55 PolarHBondContact O-N 3.06Å; T52-R56 WeakPolarHBondContact O-CG 3.38Å; T52-R56 PolarHBondContact O-N 2.94Å
53	F	48.8	Very low	47.4	Very low	13 Å²	13	63.5 Å²	63.5	6%	0.057	33%	0.331	C	S	.	.	H	α-helix	trans	-64	-50.1	-175.8	-174.6	-121.1	0	0	0	114.1	L41 S44 A45 S50 M55 R56 L57 F73 W87	L41-F53 HydrophobicContact CB-CE2 4.41Å; L41-F53 HydrophobicContact CD2-CD2 3.55Å; L41-F53 HydrophobicContact CD2-CE2 3.51Å; L41-F53 WeakPolarHBondContact O-CE2 3.28Å; S44-F53 VanDerWaalsContact CB-CD2 3.41Å; A45-F53 HydrophobicContact CB-CZ 4.25Å; S50-F53 VanDerWaalsContact O-CB 3.28Å; S50-F53 WeakPolarHBondContact O-CB 3.41Å; S50-F53 PolarHBondContact O-N 3.05Å; F53-M55 PolarHBondContact O-N 3.08Å; F53-R56 PolarHBondContact O-N 3.27Å; F53-L57 PolarHBondContact O-N 2.88Å; F53-L57 VanDerWaalsContact O-N 3.08Å; F53-F73 HydrophobicContact CZ-CE2 4.06Å; F53-F73 HydrophobicContact CZ-CZ 4.47Å; F53-W87 HydrophobicContact CD1-CH2 4.09Å; F53-W87 HydrophobicContact CD1-CZ2 4.12Å; F53-W87 AromaticContact CE1-CH2 3.15Å; F53-W87 HydrophobicContact CE1-CH2 3.15Å; F53-W87 AromaticContact CE1-CZ2 3.34Å; F53-W87 HydrophobicContact CE1-CZ2 3.34Å; F53-W87 HydrophobicContact CE1-CZ3 4.34Å; F53-W87 AromaticContact CZ-CH2 3.55Å; F53-W87 HydrophobicContact CZ-CH2 3.55Å; F53-W87 HydrophobicContact CZ-CZ2 4.16Å; F53-W87 HydrophobicContact CZ-CZ3 4.41Å
54	P	49.1	Very low	47.6	Very low	44 Å²	44	62 Å²	62	29%	0.286	32%	0.318	S	S	.	.	H	α-helix	trans	-58.6	-36.8	175.3	18.9	-31.2	0	0	0	112.2	R56 L57 V58 V91	P54-R56 PolarHBondContact O-N 3.3Å; P54-L57 VanDerWaalsContact O-CB 3.24Å; P54-L57 WeakPolarHBondContact O-CB 3.39Å; P54-L57 PolarHBondContact O-N 3.44Å; P54-L57 VanDerWaalsContact O-N 3.16Å; P54-V58 WeakPolarHBondContact O-CG2 3.03Å; P54-V58 PolarHBondContact O-N 3.18Å; P54-V91 HydrophobicContact CB-CG1 3.86Å
55	M	47.4	Very low	48.3	Very low	47 Å²	47	67.2 Å²	67.2	23%	0.232	35%	0.345	C	S	.	.	H	α-helix	trans	-63.4	-44.2	177.9	-63.3	-63.9	-66.9	0	0	112.1	I10 Y18 T52 F53 L57 V58 V59	I10-M55 HydrophobicContact CD1-CE 4.21Å; I10-M55 HydrophobicContact CD1-SD 4.32Å; I10-M55 HydrophobicContact CG2-CE 4.05Å; Y18-M55 HydrophobicContact CD2-CE 3.09Å; Y18-M55 HydrophobicContact CE2-CE 3.57Å; Y18-M55 HydrophobicContact CG-CE 3.91Å; T52-M55 WeakPolarHBondContact O-CB 3.21Å; T52-M55 PolarHBondContact O-N 3.06Å; F53-M55 PolarHBondContact O-N 3.08Å; M55-L57 PolarHBondContact O-N 3.47Å; M55-V58 PolarHBondContact O-N 2.89Å; M55-V59 VanDerWaalsContact O-CG2 3.31Å; M55-V59 WeakPolarHBondContact O-CG2 3.45Å; M55-V59 PolarHBondContact O-N 3.41Å
56	R	51.1	Low	49.1	Very low	57 Å²	57	68 Å²	68	22%	0.215	34%	0.341	C	S	.	.	H	α-helix	trans	-65.6	-30.1	176.2	-70.7	173.9	176.9	161.8	-0.3	111.6	I21 L37 L41 S44 T52 F53 P54 A60	I21-R56 HydrophobicContact CD1-CG 4.38Å; L37-R56 HydrophobicContact CD1-CB 4Å; L37-R56 HydrophobicContact CD1-CG 3.92Å; L41-R56 HydrophobicContact CD1-CB 4Å; L41-R56 WeakPolarHBondContact CD1-O 3.1Å; L41-R56 HydrophobicContact CD2-CB 3.24Å; L41-R56 HydrophobicContact CD2-CG 4.38Å; L41-R56 HydrophobicContact CG-CB 3.7Å; S44-R56 PolarHBondContact OG-NH1 3.02Å; T52-R56 WeakPolarHBondContact O-CG 3.38Å; T52-R56 PolarHBondContact O-N 2.94Å; F53-R56 PolarHBondContact O-N 3.27Å; P54-R56 PolarHBondContact O-N 3.3Å; R56-A60 PolarHBondContact O-N 3.27Å
57	L	51.4	Low	50	Low	3 Å²	3	65.9 Å²	65.9	2%	0.016	33%	0.327	C	S	.	.	H	α-helix	trans	-67.7	-47.4	176.6	-145.8	79.1	0	0	0	112.5	L41 F53 P54 M55 V59 A60 R61 W66 F69 W87 F88 V91	L41-L57 HydrophobicContact CD2-CD1 4.29Å; F53-L57 PolarHBondContact O-N 2.88Å; F53-L57 VanDerWaalsContact O-N 3.08Å; P54-L57 VanDerWaalsContact O-CB 3.24Å; P54-L57 WeakPolarHBondContact O-CB 3.39Å; P54-L57 PolarHBondContact O-N 3.44Å; P54-L57 VanDerWaalsContact O-N 3.16Å; M55-L57 PolarHBondContact O-N 3.47Å; L57-V59 PolarHBondContact O-N 3.49Å; L57-A60 PolarHBondContact O-N 3.49Å; L57-A60 VanDerWaalsContact O-N 3.14Å; L57-R61 PolarHBondContact O-N 2.88Å; L57-W66 HydrophobicContact CG-CH2 4.4Å; L57-W66 WeakPolarHBondContact O-CZ3 3.11Å; L57-F69 HydrophobicContact CD1-CE1 3.97Å; L57-F69 HydrophobicContact CD1-CZ 4.34Å; L57-W87 HydrophobicContact CD1-CH2 3.82Å; L57-W87 HydrophobicContact CD1-CZ3 3.79Å; L57-W87 HydrophobicContact CD2-CH2 3.71Å; L57-W87 HydrophobicContact CD2-CZ3 3.71Å; L57-W87 HydrophobicContact CG-CH2 4.42Å; L57-W87 HydrophobicContact CG-CZ3 4.4Å; L57-F88 HydrophobicContact CD1-CD1 3.9Å; L57-F88 HydrophobicContact CD1-CE1 3.3Å; L57-F88 HydrophobicContact CD1-CZ 4.19Å; L57-F88 HydrophobicContact CD2-CD1 3.42Å; L57-F88 VanDerWaalsContact CD2-CD1 3.42Å; L57-F88 HydrophobicContact CD2-CE1 3.78Å; L57-F88 HydrophobicContact CD2-CG 4.47Å; L57-F88 HydrophobicContact CG-CD1 3.65Å; L57-F88 HydrophobicContact CG-CE1 3.53Å; L57-V91 HydrophobicContact CB-CG1 4.33Å; L57-V91 HydrophobicContact CD2-CB 3.42Å; L57-V91 VanDerWaalsContact CD2-CB 3.42Å; L57-V91 HydrophobicContact CD2-CG1 3.41Å; L57-V91 VanDerWaalsContact CD2-CG1 3.41Å; L57-V91 HydrophobicContact CD2-CG2 3.48Å; L57-V91 VanDerWaalsContact CD2-CG2 3.48Å
58	V	52.6	Low	51.2	Low	37 Å²	37	61.6 Å²	61.6	22%	0.224	32%	0.316	C	S	.	.	H	α-helix	trans	-58.1	-43.6	176.3	173.4	0	0	0	0	110	L6 P54 M55 A60 R61 E62	L6-V58 HydrophobicContact CD2-CG1 4.09Å; P54-V58 WeakPolarHBondContact O-CG2 3.03Å; P54-V58 PolarHBondContact O-N 3.18Å; M55-V58 PolarHBondContact O-N 2.89Å; V58-A60 PolarHBondContact O-N 3.02Å; V58-R61 WeakPolarHBondContact O-CA 3.4Å; V58-R61 VanDerWaalsContact O-CB 3.28Å; V58-R61 WeakPolarHBondContact O-CB 3.48Å; V58-R61 PolarHBondContact O-N 3.16Å; V58-R61 VanDerWaalsContact O-N 3.08Å; V58-E62 PolarHBondContact O-N 2.92Å
59	V	51.4	Low	52.1	Low	2 Å²	2	56.6 Å²	56.6	1%	0.012	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-42.8	176.2	167.5	0	0	0	0	112.2	I21 L25 L37 M55 L57 R61 E62 Y63	I21-V59 HydrophobicContact CG2-CG1 4.33Å; I21-V59 HydrophobicContact CG2-CG2 4.07Å; L25-V59 HydrophobicContact CB-CG1 4.31Å; L25-V59 HydrophobicContact CD1-CG1 3.26Å; L25-V59 HydrophobicContact CD2-CG1 3.37Å; L25-V59 HydrophobicContact CG-CG1 3.76Å; L37-V59 HydrophobicContact CD2-CB 4.36Å; L37-V59 HydrophobicContact CD2-CG1 3.6Å; M55-V59 VanDerWaalsContact O-CG2 3.31Å; M55-V59 WeakPolarHBondContact O-CG2 3.45Å; M55-V59 PolarHBondContact O-N 3.41Å; L57-V59 PolarHBondContact O-N 3.49Å; V59-R61 PolarHBondContact O-N 3.04Å; V59-E62 PolarHBondContact O-N 3.18Å; V59-Y63 HydrophobicContact CG1-CD2 4.17Å; V59-Y63 WeakPolarHBondContact O-CB 3.35Å; V59-Y63 PolarHBondContact O-N 3.22Å
60	A	53.2	Low	53	Low	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-30.3	175	0	0	0	0	0	112.4	L37 L41 R56 L57 V58 A64 W66 F69	L37-A60 HydrophobicContact CD2-CB 4.34Å; L41-A60 HydrophobicContact CD1-CB 4.03Å; R56-A60 PolarHBondContact O-N 3.27Å; L57-A60 PolarHBondContact O-N 3.49Å; L57-A60 VanDerWaalsContact O-N 3.14Å; V58-A60 PolarHBondContact O-N 3.02Å; A60-A64 WeakPolarHBondContact O-CB 2.94Å; A60-A64 PolarHBondContact O-N 2.9Å; A60-W66 HydrophobicContact CB-CZ3 4.34Å; A60-F69 HydrophobicContact CB-CD1 4.19Å; A60-F69 HydrophobicContact CB-CD2 3.66Å; A60-F69 HydrophobicContact CB-CE1 4.34Å; A60-F69 HydrophobicContact CB-CE2 3.92Å; A60-F69 HydrophobicContact CB-CG 3.9Å; A60-F69 HydrophobicContact CB-CZ 4.29Å
61	R	51.9	Low	53.9	Low	133 Å²	133	52.2 Å²	52.2	50%	0.502	27%	0.267	S	S	.	.	H	α-helix	trans	-70.4	-42.3	174.4	-165.4	178.4	176.1	-163.5	3.1	113	L57 V58 V59 W66	L57-R61 PolarHBondContact O-N 2.88Å; V58-R61 WeakPolarHBondContact O-CA 3.4Å; V58-R61 VanDerWaalsContact O-CB 3.28Å; V58-R61 WeakPolarHBondContact O-CB 3.48Å; V58-R61 PolarHBondContact O-N 3.16Å; V58-R61 VanDerWaalsContact O-N 3.08Å; V59-R61 PolarHBondContact O-N 3.04Å; R61-W66 HydrophobicContact CB-CD2 3.99Å; R61-W66 HydrophobicContact CB-CE3 3.51Å; R61-W66 HydrophobicContact CB-CH2 3.78Å; R61-W66 HydrophobicContact CB-CZ2 4.32Å; R61-W66 HydrophobicContact CB-CZ3 3.4Å; R61-W66 HydrophobicContact CG-CD2 3.79Å; R61-W66 HydrophobicContact CG-CE3 3.87Å; R61-W66 HydrophobicContact CG-CG 4.27Å; R61-W66 HydrophobicContact CG-CH2 4.04Å; R61-W66 HydrophobicContact CG-CZ2 4.07Å; R61-W66 HydrophobicContact CG-CZ3 4Å
62	E	52.6	Low	54.8	Low	89 Å²	89	46.3 Å²	46.3	42%	0.416	25%	0.246	S	C	.	.	H	α-helix	trans	-81.4	-37.6	-175.1	-70.6	-174.9	172.3	0	0	113.1	V58 V59	V58-E62 PolarHBondContact O-N 2.92Å; V59-E62 PolarHBondContact O-N 3.18Å
63	Y	49.7	Very low	55.5	Low	69 Å²	69	46 Å²	46	27%	0.271	24%	0.243	S	C	.	.	H	α-helix	trans	-111.2	-17.3	-168.7	-68	-89.5	0	0	0	114.5	R22 L25 E26 V59	R22-Y63 PolarHBondContact NE-OH 2.98Å; L25-Y63 HydrophobicContact CB-CG 4.4Å; L25-Y63 HydrophobicContact CD2-CG 4.28Å; E26-Y63 HydrophobicContact CG-CE1 3.77Å; E26-Y63 WeakPolarHBondContact CG-OH 3.45Å; V59-Y63 HydrophobicContact CG1-CD2 4.17Å; V59-Y63 WeakPolarHBondContact O-CB 3.35Å; V59-Y63 PolarHBondContact O-N 3.22Å
64	A	49.8	Very low	55.9	Low	22 Å²	22	45.9 Å²	45.9	18%	0.182	24%	0.243	C	C	.	.	S	Bend	trans	-106.8	163.2	179.6	0	0	0	0	0	111.8	L34 A60 W66	L34-A64 HydrophobicContact CD1-CB 4.17Å; L34-A64 HydrophobicContact CD2-CB 3.68Å; L34-A64 HydrophobicContact CG-CB 4.45Å; A60-A64 WeakPolarHBondContact O-CB 2.94Å; A60-A64 PolarHBondContact O-N 2.9Å; A64-W66 PolarHBondContact O-N 3.06Å
65	N	57.7	Low	56.5	Low	120 Å²	120	52.9 Å²	52.9	64%	0.642	26%	0.264	S	S	*	.			trans	-62.9	90.7	162.5	-176.2	-15.9	0	0	0	108.4	G67 A68 F69	N65-G67 PolarHBondContact O-N 3.05Å; N65-A68 HydrophobicContact CB-CB 4.07Å; N65-A68 WeakPolarHBondContact O-CA 3.47Å; N65-A68 WeakPolarHBondContact O-CB 3.47Å; N65-A68 PolarHBondContact O-N 3.46Å; N65-F69 PolarHBondContact O-N 3.1Å
66	W	59.5	Low	56.9	Low	53 Å²	53	60.2 Å²	60.2	20%	0.201	29%	0.289	C	S	.	.	H	α-helix	trans	-51.1	-41.3	-173.5	178.1	-114.2	0	0	0	113	L57 A60 R61 A64 A68 F69 Q70 F88	L57-W66 HydrophobicContact CG-CH2 4.4Å; L57-W66 WeakPolarHBondContact O-CZ3 3.11Å; A60-W66 HydrophobicContact CB-CZ3 4.34Å; R61-W66 HydrophobicContact CB-CD2 3.99Å; R61-W66 HydrophobicContact CB-CE3 3.51Å; R61-W66 HydrophobicContact CB-CH2 3.78Å; R61-W66 HydrophobicContact CB-CZ2 4.32Å; R61-W66 HydrophobicContact CB-CZ3 3.4Å; R61-W66 HydrophobicContact CG-CD2 3.79Å; R61-W66 HydrophobicContact CG-CE3 3.87Å; R61-W66 HydrophobicContact CG-CG 4.27Å; R61-W66 HydrophobicContact CG-CH2 4.04Å; R61-W66 HydrophobicContact CG-CZ2 4.07Å; R61-W66 HydrophobicContact CG-CZ3 4Å; A64-W66 PolarHBondContact O-N 3.06Å; W66-A68 VanDerWaalsContact C-N 3.33Å; W66-A68 PolarHBondContact O-N 3.02Å; W66-F69 HydrophobicContact CE3-CD1 4.4Å; W66-F69 HydrophobicContact CZ3-CD1 4.29Å; W66-F69 WeakPolarHBondContact O-CB 3.28Å; W66-F69 PolarHBondContact O-N 3.44Å; W66-Q70 WeakPolarHBondContact O-CB 3.45Å; W66-Q70 PolarHBondContact O-N 3.13Å; W66-F88 HydrophobicContact CH2-CB 4.3Å; W66-F88 AromaticContact CH2-CD1 3.2Å; W66-F88 HydrophobicContact CH2-CD1 3.2Å; W66-F88 AromaticContact CH2-CE1 3.64Å; W66-F88 HydrophobicContact CH2-CE1 3.64Å; W66-F88 AromaticContact CH2-CG 3.99Å; W66-F88 HydrophobicContact CH2-CG 3.99Å; W66-F88 HydrophobicContact CZ2-CB 3.88Å; W66-F88 AromaticContact CZ2-CD1 3.57Å; W66-F88 HydrophobicContact CZ2-CD1 3.57Å; W66-F88 HydrophobicContact CZ2-CE1 4.25Å; W66-F88 AromaticContact CZ2-CG 3.88Å; W66-F88 HydrophobicContact CZ2-CG 3.88Å; W66-F88 AromaticContact CZ3-CD1 3.99Å; W66-F88 HydrophobicContact CZ3-CD1 3.99Å; W66-F88 AromaticContact CZ3-CE1 3.94Å; W66-F88 HydrophobicContact CZ3-CE1 3.94Å
67	G	62.9	Low	57	Low	42 Å²	42	60.3 Å²	60.3	43%	0.433	30%	0.302	S	S	.	.	H	α-helix	trans	-61.6	-39.5	176.7	0	0	0	0	0	112.8	N65 H71	N65-G67 PolarHBondContact O-N 3.05Å; G67-H71 VanDerWaalsContact O-CB 3.28Å; G67-H71 WeakPolarHBondContact O-CB 3.14Å; G67-H71 PolarHBondContact O-N 2.9Å
68	A	63.3	Low	57.4	Low	52 Å²	52	63.6 Å²	63.6	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-68.6	-39.7	175.7	0	0	0	0	0	112	N65 W66 H71 A72	N65-A68 HydrophobicContact CB-CB 4.07Å; N65-A68 WeakPolarHBondContact O-CA 3.47Å; N65-A68 WeakPolarHBondContact O-CB 3.47Å; N65-A68 PolarHBondContact O-N 3.46Å; W66-A68 VanDerWaalsContact C-N 3.33Å; W66-A68 PolarHBondContact O-N 3.02Å; A68-H71 PolarHBondContact O-N 2.64Å; A68-A72 WeakPolarHBondContact O-CB 3.06Å; A68-A72 PolarHBondContact O-N 3.45Å
69	F	62.7	Low	57.6	Low	2 Å²	2	63.9 Å²	63.9	1%	0.009	34%	0.343	C	S	.	.	H	α-helix	trans	-59.5	-54.8	175.2	-178.9	-89.5	0	0	0	111.2	M38 L41 L57 A60 N65 W66 H71 A72 F73 F88	M38-F69 HydrophobicContact CB-CE2 4.47Å; M38-F69 HydrophobicContact CE-CB 4.4Å; M38-F69 HydrophobicContact CE-CD2 3.16Å; M38-F69 HydrophobicContact CE-CE2 3.21Å; M38-F69 HydrophobicContact CE-CG 3.85Å; M38-F69 HydrophobicContact CE-CZ 4.01Å; M38-F69 HydrophobicContact CG-CD2 3.62Å; M38-F69 HydrophobicContact CG-CE2 3.86Å; M38-F69 HydrophobicContact SD-CB 4Å; M38-F69 HydrophobicContact SD-CD2 3.14Å; M38-F69 WeakPolarHBondContact SD-CD2 3.37Å; M38-F69 HydrophobicContact SD-CE2 3.74Å; M38-F69 HydrophobicContact SD-CG 3.91Å; L41-F69 HydrophobicContact CB-CE2 3.98Å; L41-F69 HydrophobicContact CB-CZ 3.79Å; L41-F69 HydrophobicContact CD1-CD2 4.35Å; L41-F69 HydrophobicContact CD1-CE1 4.43Å; L41-F69 HydrophobicContact CD1-CE2 3.28Å; L41-F69 HydrophobicContact CD1-CZ 3.36Å; L41-F69 HydrophobicContact CG-CE2 4.22Å; L41-F69 HydrophobicContact CG-CZ 4.06Å; L57-F69 HydrophobicContact CD1-CE1 3.97Å; L57-F69 HydrophobicContact CD1-CZ 4.34Å; A60-F69 HydrophobicContact CB-CD1 4.19Å; A60-F69 HydrophobicContact CB-CD2 3.66Å; A60-F69 HydrophobicContact CB-CE1 4.34Å; A60-F69 HydrophobicContact CB-CE2 3.92Å; A60-F69 HydrophobicContact CB-CG 3.9Å; A60-F69 HydrophobicContact CB-CZ 4.29Å; N65-F69 PolarHBondContact O-N 3.1Å; W66-F69 HydrophobicContact CE3-CD1 4.4Å; W66-F69 HydrophobicContact CZ3-CD1 4.29Å; W66-F69 WeakPolarHBondContact O-CB 3.28Å; W66-F69 PolarHBondContact O-N 3.44Å; F69-H71 VanDerWaalsContact C-N 3.27Å; F69-H71 PolarHBondContact O-N 3.33Å; F69-A72 PolarHBondContact O-N 2.88Å; F69-F73 HydrophobicContact CE1-CB 4.35Å; F69-F73 HydrophobicContact CE1-CD2 4.4Å; F69-F73 HydrophobicContact CZ-CD2 4.36Å; F69-F73 WeakPolarHBondContact O-CB 3.13Å; F69-F73 PolarHBondContact O-N 3.01Å; F69-F88 AromaticContact CD1-CE1 3.7Å; F69-F88 HydrophobicContact CD1-CE1 3.7Å; F69-F88 AromaticContact CD1-CZ 3.53Å; F69-F88 HydrophobicContact CD1-CZ 3.53Å; F69-F88 AromaticContact CE1-CE1 3.4Å; F69-F88 HydrophobicContact CE1-CE1 3.4Å; F69-F88 AromaticContact CE1-CZ 3.29Å; F69-F88 HydrophobicContact CE1-CZ 3.29Å
70	Q	62.6	Low	58.5	Low	27 Å²	27	67.1 Å²	67.1	13%	0.126	37%	0.365	C	S	.	.	H	α-helix	trans	-57.9	-41.6	179.8	-179.2	176.3	3.1	0	0	111.3	W66 T74 S85 F88	W66-Q70 WeakPolarHBondContact O-CB 3.45Å; W66-Q70 PolarHBondContact O-N 3.13Å; Q70-T74 VanDerWaalsContact O-CB 3.24Å; Q70-T74 WeakPolarHBondContact O-CB 3.12Å; Q70-T74 PolarHBondContact O-N 2.63Å; Q70-T74 PolarHBondContact O-OG1 2.93Å; Q70-S85 PolarHBondContact NE2-OG 2.77Å; Q70-S85 VanDerWaalsContact NE2-OG 3.17Å; Q70-F88 HydrophobicContact CB-CD2 4.45Å; Q70-F88 HydrophobicContact CB-CE2 4.05Å; Q70-F88 HydrophobicContact CG-CD2 3.92Å; Q70-F88 HydrophobicContact CG-CE2 3.81Å
71	H	64	Low	59.3	Low	96 Å²	96	71.4 Å²	71.4	44%	0.444	39%	0.392	S	S	.	.	H	α-helix	trans	-65	-45	177.6	-171.2	82.8	0	0	0	112.5	G67 A68 F69 T74 R75	G67-H71 VanDerWaalsContact O-CB 3.28Å; G67-H71 WeakPolarHBondContact O-CB 3.14Å; G67-H71 PolarHBondContact O-N 2.9Å; A68-H71 PolarHBondContact O-N 2.64Å; F69-H71 VanDerWaalsContact C-N 3.27Å; F69-H71 PolarHBondContact O-N 3.33Å; H71-T74 PolarHBondContact O-N 3.1Å; H71-R75 PolarHBondContact NE2-NE 3.01Å; H71-R75 PolarHBondContact O-N 2.97Å
72	A	61.9	Low	60.2	Low	40 Å²	40	68.5 Å²	68.5	33%	0.331	40%	0.396	S	S	.	.	H	α-helix	trans	-65.1	-43.9	177.7	0	0	0	0	0	112	M38 A68 F69 R75 R76	M38-A72 HydrophobicContact CE-CB 3.79Å; M38-A72 HydrophobicContact SD-CB 4.33Å; A68-A72 WeakPolarHBondContact O-CB 3.06Å; A68-A72 PolarHBondContact O-N 3.45Å; F69-A72 PolarHBondContact O-N 2.88Å; A72-R75 PolarHBondContact O-N 2.97Å; A72-R76 WeakPolarHBondContact O-CB 3.26Å; A72-R76 PolarHBondContact O-N 2.79Å
73	F	62	Low	60.7	Low	19 Å²	19	66.8 Å²	66.8	8%	0.083	40%	0.397	C	S	.	.	H	α-helix	trans	-61	-49.1	175.7	-175.9	-79.8	0	0	0	111.1	A45 F53 F69 R75 R76 A77 T84 W87 F88	A45-F73 HydrophobicContact CB-CE2 3.61Å; A45-F73 HydrophobicContact CB-CZ 3.9Å; F53-F73 HydrophobicContact CZ-CE2 4.06Å; F53-F73 HydrophobicContact CZ-CZ 4.47Å; F69-F73 HydrophobicContact CE1-CB 4.35Å; F69-F73 HydrophobicContact CE1-CD2 4.4Å; F69-F73 HydrophobicContact CZ-CD2 4.36Å; F69-F73 WeakPolarHBondContact O-CB 3.13Å; F69-F73 PolarHBondContact O-N 3.01Å; F73-R75 VanDerWaalsContact C-N 3.33Å; F73-R75 PolarHBondContact O-N 3.43Å; F73-R76 PolarHBondContact O-N 3.43Å; F73-R76 VanDerWaalsContact O-N 3.07Å; F73-A77 HydrophobicContact CD1-CB 4.2Å; F73-A77 HydrophobicContact CE1-CB 3.96Å; F73-A77 WeakPolarHBondContact O-CB 3.27Å; F73-A77 PolarHBondContact O-N 2.79Å; F73-T84 HydrophobicContact CD1-CG2 3.33Å; F73-T84 HydrophobicContact CE1-CG2 3.71Å; F73-T84 HydrophobicContact CG-CG2 4.39Å; F73-W87 HydrophobicContact CZ-CZ3 4.14Å; F73-F88 HydrophobicContact CB-CE2 4.47Å; F73-F88 HydrophobicContact CB-CZ 4.22Å; F73-F88 HydrophobicContact CD1-CE2 4.24Å; F73-F88 HydrophobicContact CD1-CZ 4.33Å; F73-F88 HydrophobicContact CD2-CZ 4.5Å; F73-F88 HydrophobicContact CG-CE2 4.39Å; F73-F88 HydrophobicContact CG-CZ 4.1Å
74	T	58	Low	61	Low	9 Å²	9	63.7 Å²	63.7	6%	0.055	39%	0.385	C	S	.	.	H	α-helix	trans	-56.7	-47.4	178.9	-60.3	0	0	0	0	110.9	Q70 H71 R76 A77 G78 A79 V81 T84	Q70-T74 VanDerWaalsContact O-CB 3.24Å; Q70-T74 WeakPolarHBondContact O-CB 3.12Å; Q70-T74 PolarHBondContact O-N 2.63Å; Q70-T74 PolarHBondContact O-OG1 2.93Å; H71-T74 PolarHBondContact O-N 3.1Å; T74-R76 VanDerWaalsContact C-N 3.31Å; T74-R76 PolarHBondContact O-N 3.1Å; T74-A77 PolarHBondContact O-N 3.32Å; T74-G78 PolarHBondContact O-N 3.46Å; T74-G78 VanDerWaalsContact O-N 3.16Å; T74-A79 WeakPolarHBondContact CG2-O 3.37Å; T74-A79 PolarHBondContact O-N 2.67Å; T74-V81 HydrophobicContact CG2-CB 4.44Å; T74-V81 HydrophobicContact CG2-CG2 3.9Å; T74-T84 VanDerWaalsContact OG1-CB 3.26Å; T74-T84 WeakPolarHBondContact OG1-CB 3.44Å; T74-T84 WeakPolarHBondContact OG1-CG2 3.31Å; T74-T84 PolarHBondContact OG1-OG1 2.81Å
75	R	61.5	Low	61.8	Low	192 Å²	192	64.4 Å²	64.4	73%	0.725	39%	0.389	S	S	*	.	H	α-helix	trans	-60.9	-39	176.4	-78.8	-151.4	-77	-157.8	-5.6	112.7	H71 A72 F73	H71-R75 PolarHBondContact NE2-NE 3.01Å; H71-R75 PolarHBondContact O-N 2.97Å; A72-R75 PolarHBondContact O-N 2.97Å; F73-R75 VanDerWaalsContact C-N 3.33Å; F73-R75 PolarHBondContact O-N 3.43Å
76	R	54.8	Low	62.1	Low	201 Å²	201	61.6 Å²	61.6	76%	0.758	38%	0.382	S	S	*	.	H	α-helix	trans	-75.7	-39.1	-178.5	-175.9	58.7	174.7	-176	1.1	112.9	C42 A72 F73 T74 G78	C42-R76 HydrophobicContact CB-CG 4.47Å; A72-R76 WeakPolarHBondContact O-CB 3.26Å; A72-R76 PolarHBondContact O-N 2.79Å; F73-R76 PolarHBondContact O-N 3.43Å; F73-R76 VanDerWaalsContact O-N 3.07Å; T74-R76 VanDerWaalsContact C-N 3.31Å; T74-R76 PolarHBondContact O-N 3.1Å; R76-G78 PolarHBondContact O-N 3.34Å
77	A	54.6	Low	62.2	Low	58 Å²	58	61 Å²	61	48%	0.479	38%	0.38	S	S	.	.	H	α-helix	trans	-74.5	-13.8	179.5	0	0	0	0	0	112.9	F73 T74 A79	F73-A77 HydrophobicContact CD1-CB 4.2Å; F73-A77 HydrophobicContact CE1-CB 3.96Å; F73-A77 WeakPolarHBondContact O-CB 3.27Å; F73-A77 PolarHBondContact O-N 2.79Å; T74-A77 PolarHBondContact O-N 3.32Å; A77-A79 HydrophobicContact CB-CB 4.2Å; A77-A79 PolarHBondContact O-N 2.88Å
78	G	58.5	Low	62.2	Low	72 Å²	72	59 Å²	59	74%	0.742	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	18.8	-172.9	0	0	0	0	0	113	T74 R76	T74-G78 PolarHBondContact O-N 3.46Å; T74-G78 VanDerWaalsContact O-N 3.16Å; R76-G78 PolarHBondContact O-N 3.34Å
79	A	56.9	Low	62.3	Low	43 Å²	43	60.6 Å²	60.6	36%	0.355	36%	0.361	S	S	.	.			trans	-89	162.8	-179.5	0	0	0	0	0	111.1	T74 A77	T74-A79 WeakPolarHBondContact CG2-O 3.37Å; T74-A79 PolarHBondContact O-N 2.67Å; A77-A79 HydrophobicContact CB-CB 4.2Å; A77-A79 PolarHBondContact O-N 2.88Å
80	S	69.6	Low	61.9	Low	70 Å²	70	61.8 Å²	61.8	49%	0.49	37%	0.371	S	S	.	.			trans	-74.1	147.3	170.4	74	0	0	0	0	110.4	A82 A83 T84	S80-A82 PolarHBondContact O-N 3.49Å; S80-A82 VanDerWaalsContact O-N 3.16Å; S80-A83 PolarHBondContact O-N 2.84Å; S80-A83 VanDerWaalsContact O-N 3.1Å; S80-A83 VanDerWaalsContact OG-CB 3.27Å; S80-A83 WeakPolarHBondContact OG-CB 3.26Å; S80-A83 PolarHBondContact OG-N 3.29Å; S80-A83 VanDerWaalsContact OG-N 3.1Å; S80-T84 PolarHBondContact O-N 3.24Å; S80-T84 PolarHBondContact O-OG1 3.44Å
81	V	69.8	Low	61.6	Low	91 Å²	91	61 Å²	61	55%	0.552	37%	0.368	S	S	*	.	H	α-helix	trans	-53	-38.9	176.8	176.8	0	0	0	0	111.3	T74 S85	T74-V81 HydrophobicContact CG2-CB 4.44Å; T74-V81 HydrophobicContact CG2-CG2 3.9Å; V81-S85 WeakPolarHBondContact O-CB 3.2Å; V81-S85 PolarHBondContact O-N 3.29Å
82	A	72.8	Confident	61.2	Low	72 Å²	72	58.3 Å²	58.3	60%	0.595	36%	0.363	S	S	*	.	H	α-helix	trans	-65.5	-47.4	178.1	0	0	0	0	0	112.6	S80 T84 S85 A86	S80-A82 PolarHBondContact O-N 3.49Å; S80-A82 VanDerWaalsContact O-N 3.16Å; A82-T84 VanDerWaalsContact C-N 3.33Å; A82-T84 PolarHBondContact O-N 2.86Å; A82-S85 PolarHBondContact O-N 3.19Å; A82-A86 WeakPolarHBondContact O-CB 3.07Å; A82-A86 PolarHBondContact O-N 3.32Å
83	A	62	Low	60.9	Low	52 Å²	52	59.7 Å²	59.7	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-62.9	-42.8	178.4	0	0	0	0	0	111.1	S80 A86 W87	S80-A83 PolarHBondContact O-N 2.84Å; S80-A83 VanDerWaalsContact O-N 3.1Å; S80-A83 VanDerWaalsContact OG-CB 3.27Å; S80-A83 WeakPolarHBondContact OG-CB 3.26Å; S80-A83 PolarHBondContact OG-N 3.29Å; S80-A83 VanDerWaalsContact OG-N 3.1Å; A83-A86 PolarHBondContact O-N 3.38Å; A83-W87 WeakPolarHBondContact O-CB 3.24Å; A83-W87 PolarHBondContact O-N 3.41Å
84	T	57	Low	60.3	Low	4 Å²	4	61.5 Å²	61.5	3%	0.025	40%	0.398	C	S	.	.	H	α-helix	trans	-63.6	-45.2	176.1	-38.8	0	0	0	0	111.1	F73 T74 S80 A82 A86 W87 F88	F73-T84 HydrophobicContact CD1-CG2 3.33Å; F73-T84 HydrophobicContact CE1-CG2 3.71Å; F73-T84 HydrophobicContact CG-CG2 4.39Å; T74-T84 VanDerWaalsContact OG1-CB 3.26Å; T74-T84 WeakPolarHBondContact OG1-CB 3.44Å; T74-T84 WeakPolarHBondContact OG1-CG2 3.31Å; T74-T84 PolarHBondContact OG1-OG1 2.81Å; S80-T84 PolarHBondContact O-N 3.24Å; S80-T84 PolarHBondContact O-OG1 3.44Å; A82-T84 VanDerWaalsContact C-N 3.33Å; A82-T84 PolarHBondContact O-N 2.86Å; T84-A86 PolarHBondContact O-N 2.88Å; T84-W87 PolarHBondContact O-N 3.44Å; T84-F88 HydrophobicContact CG2-CD2 3.64Å; T84-F88 HydrophobicContact CG2-CE2 3.28Å; T84-F88 HydrophobicContact CG2-CZ 4.37Å; T84-F88 WeakPolarHBondContact O-CD2 3.33Å; T84-F88 PolarHBondContact O-N 3.41Å
85	S	66	Low	59.7	Low	37 Å²	37	64.6 Å²	64.6	26%	0.259	42%	0.417	S	S	.	.	H	α-helix	trans	-58.2	-49.2	177.9	-157.5	0	0	0	0	111.9	Q70 V81 A82 W87 F88 D89	Q70-S85 PolarHBondContact NE2-OG 2.77Å; Q70-S85 VanDerWaalsContact NE2-OG 3.17Å; V81-S85 WeakPolarHBondContact O-CB 3.2Å; V81-S85 PolarHBondContact O-N 3.29Å; A82-S85 PolarHBondContact O-N 3.19Å; S85-W87 VanDerWaalsContact C-N 3.29Å; S85-W87 PolarHBondContact O-N 3.4Å; S85-F88 WeakPolarHBondContact O-CB 3.34Å; S85-F88 PolarHBondContact O-N 2.91Å; S85-D89 WeakPolarHBondContact O-CB 3.39Å; S85-D89 VanDerWaalsContact O-CG 3.24Å; S85-D89 PolarHBondContact O-N 3.43Å; S85-D89 VanDerWaalsContact O-OD2 3.13Å
86	A	64.6	Low	58.9	Low	61 Å²	61	58.6 Å²	58.6	50%	0.504	40%	0.397	S	S	.	.	H	α-helix	trans	-61.3	-40	179.6	0	0	0	0	0	111.8	A82 A83 T84 D89 A90	A82-A86 WeakPolarHBondContact O-CB 3.07Å; A82-A86 PolarHBondContact O-N 3.32Å; A83-A86 PolarHBondContact O-N 3.38Å; T84-A86 PolarHBondContact O-N 2.88Å; A86-D89 PolarHBondContact O-N 2.96Å; A86-A90 WeakPolarHBondContact O-CB 3.15Å; A86-A90 PolarHBondContact O-N 2.83Å
87	W	60.1	Low	57.9	Low	40 Å²	40	57.1 Å²	57.1	15%	0.152	40%	0.404	C	S	.	.	H	α-helix	trans	-64.3	-45.8	175.3	178.9	77.6	0	0	0	111.5	F53 L57 F73 A83 T84 S85 D89 A90 V91 E96	F53-W87 HydrophobicContact CD1-CH2 4.09Å; F53-W87 HydrophobicContact CD1-CZ2 4.12Å; F53-W87 AromaticContact CE1-CH2 3.15Å; F53-W87 HydrophobicContact CE1-CH2 3.15Å; F53-W87 AromaticContact CE1-CZ2 3.34Å; F53-W87 HydrophobicContact CE1-CZ2 3.34Å; F53-W87 HydrophobicContact CE1-CZ3 4.34Å; F53-W87 AromaticContact CZ-CH2 3.55Å; F53-W87 HydrophobicContact CZ-CH2 3.55Å; F53-W87 HydrophobicContact CZ-CZ2 4.16Å; F53-W87 HydrophobicContact CZ-CZ3 4.41Å; L57-W87 HydrophobicContact CD1-CH2 3.82Å; L57-W87 HydrophobicContact CD1-CZ3 3.79Å; L57-W87 HydrophobicContact CD2-CH2 3.71Å; L57-W87 HydrophobicContact CD2-CZ3 3.71Å; L57-W87 HydrophobicContact CG-CH2 4.42Å; L57-W87 HydrophobicContact CG-CZ3 4.4Å; F73-W87 HydrophobicContact CZ-CZ3 4.14Å; A83-W87 WeakPolarHBondContact O-CB 3.24Å; A83-W87 PolarHBondContact O-N 3.41Å; T84-W87 PolarHBondContact O-N 3.44Å; S85-W87 VanDerWaalsContact C-N 3.29Å; S85-W87 PolarHBondContact O-N 3.4Å; W87-D89 VanDerWaalsContact C-N 3.35Å; W87-D89 PolarHBondContact O-N 3.18Å; W87-A90 WeakPolarHBondContact O-CB 3.43Å; W87-A90 PolarHBondContact O-N 2.89Å; W87-V91 HydrophobicContact CD2-CG2 3.98Å; W87-V91 HydrophobicContact CE3-CG2 4.22Å; W87-V91 HydrophobicContact CH2-CG2 3.77Å; W87-V91 HydrophobicContact CZ2-CG2 3.52Å; W87-V91 HydrophobicContact CZ3-CG2 4.14Å; W87-V91 WeakPolarHBondContact O-CG2 3.35Å; W87-V91 PolarHBondContact O-N 3.46Å; W87-E96 WeakPolarHBondContact CZ2-OE1 3.3Å; W87-E96 PolarHBondContact NE1-OE1 3.49Å
88	F	64.2	Low	57	Low	1 Å²	1	58.1 Å²	58.1	0%	0.004	41%	0.413	C	S	.	.	H	α-helix	trans	-58.5	-43.9	173.6	-84.5	-69.7	0	0	0	113.1	L57 W66 F69 Q70 F73 T84 S85 A90 V91 A92	L57-F88 HydrophobicContact CD1-CD1 3.9Å; L57-F88 HydrophobicContact CD1-CE1 3.3Å; L57-F88 HydrophobicContact CD1-CZ 4.19Å; L57-F88 HydrophobicContact CD2-CD1 3.42Å; L57-F88 VanDerWaalsContact CD2-CD1 3.42Å; L57-F88 HydrophobicContact CD2-CE1 3.78Å; L57-F88 HydrophobicContact CD2-CG 4.47Å; L57-F88 HydrophobicContact CG-CD1 3.65Å; L57-F88 HydrophobicContact CG-CE1 3.53Å; W66-F88 HydrophobicContact CH2-CB 4.3Å; W66-F88 AromaticContact CH2-CD1 3.2Å; W66-F88 HydrophobicContact CH2-CD1 3.2Å; W66-F88 AromaticContact CH2-CE1 3.64Å; W66-F88 HydrophobicContact CH2-CE1 3.64Å; W66-F88 AromaticContact CH2-CG 3.99Å; W66-F88 HydrophobicContact CH2-CG 3.99Å; W66-F88 HydrophobicContact CZ2-CB 3.88Å; W66-F88 AromaticContact CZ2-CD1 3.57Å; W66-F88 HydrophobicContact CZ2-CD1 3.57Å; W66-F88 HydrophobicContact CZ2-CE1 4.25Å; W66-F88 AromaticContact CZ2-CG 3.88Å; W66-F88 HydrophobicContact CZ2-CG 3.88Å; W66-F88 AromaticContact CZ3-CD1 3.99Å; W66-F88 HydrophobicContact CZ3-CD1 3.99Å; W66-F88 AromaticContact CZ3-CE1 3.94Å; W66-F88 HydrophobicContact CZ3-CE1 3.94Å; F69-F88 AromaticContact CD1-CE1 3.7Å; F69-F88 HydrophobicContact CD1-CE1 3.7Å; F69-F88 AromaticContact CD1-CZ 3.53Å; F69-F88 HydrophobicContact CD1-CZ 3.53Å; F69-F88 AromaticContact CE1-CE1 3.4Å; F69-F88 HydrophobicContact CE1-CE1 3.4Å; F69-F88 AromaticContact CE1-CZ 3.29Å; F69-F88 HydrophobicContact CE1-CZ 3.29Å; Q70-F88 HydrophobicContact CB-CD2 4.45Å; Q70-F88 HydrophobicContact CB-CE2 4.05Å; Q70-F88 HydrophobicContact CG-CD2 3.92Å; Q70-F88 HydrophobicContact CG-CE2 3.81Å; F73-F88 HydrophobicContact CB-CE2 4.47Å; F73-F88 HydrophobicContact CB-CZ 4.22Å; F73-F88 HydrophobicContact CD1-CE2 4.24Å; F73-F88 HydrophobicContact CD1-CZ 4.33Å; F73-F88 HydrophobicContact CD2-CZ 4.5Å; F73-F88 HydrophobicContact CG-CE2 4.39Å; F73-F88 HydrophobicContact CG-CZ 4.1Å; T84-F88 HydrophobicContact CG2-CD2 3.64Å; T84-F88 HydrophobicContact CG2-CE2 3.28Å; T84-F88 HydrophobicContact CG2-CZ 4.37Å; T84-F88 WeakPolarHBondContact O-CD2 3.33Å; T84-F88 PolarHBondContact O-N 3.41Å; S85-F88 WeakPolarHBondContact O-CB 3.34Å; S85-F88 PolarHBondContact O-N 2.91Å; F88-A90 VanDerWaalsContact C-N 3.31Å; F88-V91 PolarHBondContact O-N 2.92Å; F88-A92 VanDerWaalsContact O-CB 3.29Å; F88-A92 WeakPolarHBondContact O-CB 3.4Å; F88-A92 PolarHBondContact O-N 3.38Å
89	D	63.9	Low	55.7	Low	86 Å²	86	60.7 Å²	60.7	46%	0.46	41%	0.405	S	S	.	.	H	α-helix	trans	-63.6	-39.7	177.7	-69.8	-36.1	0	0	0	110.7	S85 A86 W87 A92 A93	S85-D89 WeakPolarHBondContact O-CB 3.39Å; S85-D89 VanDerWaalsContact O-CG 3.24Å; S85-D89 PolarHBondContact O-N 3.43Å; S85-D89 VanDerWaalsContact O-OD2 3.13Å; A86-D89 PolarHBondContact O-N 2.96Å; W87-D89 VanDerWaalsContact C-N 3.35Å; W87-D89 PolarHBondContact O-N 3.18Å; D89-A92 PolarHBondContact O-N 3.33Å; D89-A93 VanDerWaalsContact O-CB 3.28Å; D89-A93 WeakPolarHBondContact O-CB 3.41Å; D89-A93 PolarHBondContact O-N 3.23Å
90	A	55.9	Low	54.5	Low	27 Å²	27	64.5 Å²	64.5	22%	0.223	42%	0.417	C	S	.	.	H	α-helix	trans	-65.3	-42.2	174.7	0	0	0	0	0	112.5	A86 W87 F88 A93 G94 T95	A86-A90 WeakPolarHBondContact O-CB 3.15Å; A86-A90 PolarHBondContact O-N 2.83Å; W87-A90 WeakPolarHBondContact O-CB 3.43Å; W87-A90 PolarHBondContact O-N 2.89Å; F88-A90 VanDerWaalsContact C-N 3.31Å; A90-A93 PolarHBondContact O-N 3.5Å; A90-G94 PolarHBondContact O-N 3.43Å; A90-T95 WeakPolarHBondContact CA-OG1 3.36Å; A90-T95 PolarHBondContact O-N 3.24Å; A90-T95 PolarHBondContact O-OG1 2.81Å
91	V	55.9	Low	52.7	Low	9 Å²	9	67.9 Å²	67.9	6%	0.055	43%	0.425	C	S	.	.	H	α-helix	trans	-62.2	-46.6	174.3	-175.6	0	0	0	0	110.6	P54 L57 W87 F88 A93 G94 E96	P54-V91 HydrophobicContact CB-CG1 3.86Å; L57-V91 HydrophobicContact CB-CG1 4.33Å; L57-V91 HydrophobicContact CD2-CB 3.42Å; L57-V91 VanDerWaalsContact CD2-CB 3.42Å; L57-V91 HydrophobicContact CD2-CG1 3.41Å; L57-V91 VanDerWaalsContact CD2-CG1 3.41Å; L57-V91 HydrophobicContact CD2-CG2 3.48Å; L57-V91 VanDerWaalsContact CD2-CG2 3.48Å; W87-V91 HydrophobicContact CD2-CG2 3.98Å; W87-V91 HydrophobicContact CE3-CG2 4.22Å; W87-V91 HydrophobicContact CH2-CG2 3.77Å; W87-V91 HydrophobicContact CZ2-CG2 3.52Å; W87-V91 HydrophobicContact CZ3-CG2 4.14Å; W87-V91 WeakPolarHBondContact O-CG2 3.35Å; W87-V91 PolarHBondContact O-N 3.46Å; F88-V91 PolarHBondContact O-N 2.92Å; V91-A93 VanDerWaalsContact C-N 3.29Å; V91-A93 PolarHBondContact O-N 2.79Å; V91-G94 WeakPolarHBondContact O-CA 3.4Å; V91-G94 PolarHBondContact O-N 2.81Å; V91-E96 HydrophobicContact CB-CG 4.09Å; V91-E96 HydrophobicContact CG1-CG 4.41Å; V91-E96 WeakPolarHBondContact CG1-OE2 3.34Å; V91-E96 HydrophobicContact CG2-CG 3.57Å; V91-E96 WeakPolarHBondContact CG2-OE1 3.4Å
92	A	55.2	Low	50.8	Low	41 Å²	41	69.1 Å²	69.1	34%	0.339	44%	0.437	S	S	.	.	H	α-helix	trans	-64.1	-33.8	179.5	0	0	0	0	0	113.1	F88 D89 G94	F88-A92 VanDerWaalsContact O-CB 3.29Å; F88-A92 WeakPolarHBondContact O-CB 3.4Å; F88-A92 PolarHBondContact O-N 3.38Å; D89-A92 PolarHBondContact O-N 3.33Å; A92-G94 PolarHBondContact O-N 3.13Å
93	A	55.4	Low	48.7	Very low	68 Å²	68	69.4 Å²	69.4	56%	0.562	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-7.2	172.7	0	0	0	0	0	112.8	D89 A90 V91 T95	D89-A93 VanDerWaalsContact O-CB 3.28Å; D89-A93 WeakPolarHBondContact O-CB 3.41Å; D89-A93 PolarHBondContact O-N 3.23Å; A90-A93 PolarHBondContact O-N 3.5Å; V91-A93 VanDerWaalsContact C-N 3.29Å; V91-A93 PolarHBondContact O-N 2.79Å; A93-T95 HydrophobicContact CB-CG2 3.94Å; A93-T95 PolarHBondContact O-N 3.41Å
94	G	49	Very low	47	Very low	57 Å²	57	74.8 Å²	74.8	59%	0.588	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	19.7	-174	0	0	0	0	0	113.1	A90 V91 A92	A90-G94 PolarHBondContact O-N 3.43Å; V91-G94 WeakPolarHBondContact O-CA 3.4Å; V91-G94 PolarHBondContact O-N 2.81Å; A92-G94 PolarHBondContact O-N 3.13Å
95	T	46.3	Very low	45.5	Very low	75 Å²	75	79.8 Å²	79.8	46%	0.46	49%	0.492	S	S	.	.			trans	-97.3	17.8	-176.1	59.8	0	0	0	0	112.8	A90 A93 N97 A98	A90-T95 WeakPolarHBondContact CA-OG1 3.36Å; A90-T95 PolarHBondContact O-N 3.24Å; A90-T95 PolarHBondContact O-OG1 2.81Å; A93-T95 HydrophobicContact CB-CG2 3.94Å; A93-T95 PolarHBondContact O-N 3.41Å; T95-N97 PolarHBondContact O-N 3.16Å; T95-A98 PolarHBondContact O-N 3.44Å
96	E	44.5	Very low	43.7	Very low	65 Å²	65	84.2 Å²	84.2	30%	0.304	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-2.2	-177.8	-105.2	-167.1	138.1	0	0	115.7	W87 V91 A98	W87-E96 WeakPolarHBondContact CZ2-OE1 3.3Å; W87-E96 PolarHBondContact NE1-OE1 3.49Å; V91-E96 HydrophobicContact CB-CG 4.09Å; V91-E96 HydrophobicContact CG1-CG 4.41Å; V91-E96 WeakPolarHBondContact CG1-OE2 3.34Å; V91-E96 HydrophobicContact CG2-CG 3.57Å; V91-E96 WeakPolarHBondContact CG2-OE1 3.4Å; E96-A98 PolarHBondContact O-N 2.83Å; E96-A98 VanDerWaalsContact O-N 3.11Å
97	N	33.9	Very low	42.1	Very low	171 Å²	171	92.3 Å²	92.3	91%	0.914	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	-10.2	161.5	-89.4	-14.9	0	0	0	113	T95 H99	T95-N97 PolarHBondContact O-N 3.16Å; N97-H99 VanDerWaalsContact C-N 3.25Å; N97-H99 PolarHBondContact O-N 3.46Å
98	A	35.1	Very low	41.2	Very low	79 Å²	79	95 Å²	95	65%	0.653	58%	0.576	S	S	*	*	S	Bend	trans	-82.6	70.6	169.5	0	0	0	0	0	111.4	T95 E96	T95-A98 PolarHBondContact O-N 3.44Å; E96-A98 PolarHBondContact O-N 2.83Å; E96-A98 VanDerWaalsContact O-N 3.11Å
99	H	32.4	Very low	40	Very low	125 Å²	125	99.9 Å²	99.9	58%	0.579	61%	0.606	S	S	*	*			trans	31.3	100.1	138.5	-128	129.9	0	0	0	116.4	N97 Q101	N97-H99 VanDerWaalsContact C-N 3.25Å; N97-H99 PolarHBondContact O-N 3.46Å; H99-Q101 HydrophobicContact CB-CB 4.25Å; H99-Q101 WeakPolarHBondContact CD2-CB 3.28Å; H99-Q101 VanDerWaalsContact CD2-CD 3.4Å; H99-Q101 WeakPolarHBondContact CD2-CG 3.26Å; H99-Q101 PolarHBondContact CD2-N 2.93Å; H99-Q101 VanDerWaalsContact CD2-N 3.33Å; H99-Q101 PolarHBondContact CE1-NE2 3Å; H99-Q101 PolarHBondContact CE1-OE1 3.43Å; H99-Q101 WeakPolarHBondContact NE2-CG 3.43Å; H99-Q101 PolarHBondContact NE2-NE2 3.38Å; H99-Q101 PolarHBondContact O-N 3.07Å
100	M	30.5	Very low	38.6	Very low	123 Å²	123	100.7 Å²	100.7	61%	0.606	61%	0.614	S	S	*	*			trans	-74.4	51.2	153.6	-140.1	-178.3	-157.2	0	0	109.6	S102	M100-S102 VanDerWaalsContact C-N 3.27Å; M100-S102 PolarHBondContact O-N 3.4Å; M100-S102 VanDerWaalsContact O-N 3.13Å
101	Q	33.3	Very low	37.6	Very low	141 Å²	141	105 Å²	105	66%	0.659	64%	0.637	S	S	*	*			trans	-79.2	85.5	164.7	-117.1	170.7	15.9	0	0	105.5	H99	H99-Q101 HydrophobicContact CB-CB 4.25Å; H99-Q101 WeakPolarHBondContact CD2-CB 3.28Å; H99-Q101 VanDerWaalsContact CD2-CD 3.4Å; H99-Q101 WeakPolarHBondContact CD2-CG 3.26Å; H99-Q101 PolarHBondContact CD2-N 2.93Å; H99-Q101 VanDerWaalsContact CD2-N 3.33Å; H99-Q101 PolarHBondContact CE1-NE2 3Å; H99-Q101 PolarHBondContact CE1-OE1 3.43Å; H99-Q101 WeakPolarHBondContact NE2-CG 3.43Å; H99-Q101 PolarHBondContact NE2-NE2 3.38Å; H99-Q101 PolarHBondContact O-N 3.07Å
102	S	29.8	Very low	36.5	Very low	117 Å²	117	111 Å²	111	82%	0.818	67%	0.674	S	S	*	*			trans	164	68	152.5	-78.8	0	0	0	0	109.5	M100	M100-S102 VanDerWaalsContact C-N 3.27Å; M100-S102 PolarHBondContact O-N 3.4Å; M100-S102 VanDerWaalsContact O-N 3.13Å
103	A	27.8	Very low	35.2	Very low	78 Å²	78	115.7 Å²	115.7	65%	0.645	70%	0.696	S	S	*	*	S	Bend	trans	-142.2	21.1	142.9	0	0	0	0	0	111.2
104	E	27.5	Very low	33.8	Very low	165 Å²	165	119.1 Å²	119.1	77%	0.771	71%	0.706	S	S	*	*	S	Bend	trans	-112.7	71.6	166.2	-79.9	175.3	95.7	0	0	107.7	R48	R48-E104 IonicContact NH1-OE2 2.89Å; R48-E104 PolarHBondContact NH1-OE2 3.02Å
105	S	25.2	Very low	32.6	Very low	110 Å²	110	123.8 Å²	123.8	77%	0.769	72%	0.715	S	S	*	*			trans	-168.6	65.1	146.4	-142.7	0	0	0	0	109.6
106	C	26.9	Very low	31.5	Very low	129 Å²	129	127.9 Å²	127.9	87%	0.872	74%	0.736	S	S	*	*			trans	-118.4	108.9	145.3	-76.4	0	0	0	0	105.1
107	N	31.4	Very low	30.3	Very low	232 Å²	232	133.6 Å²	133.6	100%	1.241	78%	0.775	S	S	*	*			trans	-42.1	0	159	-84.3	-66.6	0	0	0	111.3

Retrieved 107 of 107 residues in 22.8 ms (Link to these results)

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