A0A3Q0KL84_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KL84, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 192 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	36.9	Very low	244 Å²	244	124.3 Å²	124.3	100%	1.202	61%	0.608	S	S	*	*				0	120.5	0	-78	176.3	150.5	0	0	107.7	S3	M1-S3 PolarHBondContact O-N 2.91Å
2	Q	33.8	Very low	37.5	Very low	188 Å²	188	119.8 Å²	119.8	88%	0.879	59%	0.588	S	S	*	*			trans	-60.1	131.7	172.7	-80	175.7	-10.7	0	0	108.4	V4	Q2-V4 PolarHBondContact O-N 3.14Å
3	S	33.9	Very low	37.9	Very low	120 Å²	120	110.9 Å²	110.9	84%	0.839	55%	0.545	S	S	*	.			trans	-61.5	105.4	172.5	44.2	0	0	0	0	108.2	M1 G5	M1-S3 PolarHBondContact O-N 2.91Å; S3-G5 PolarHBondContact O-N 3.17Å; S3-G5 VanDerWaalsContact O-N 3.14Å
4	V	34.2	Very low	38.4	Very low	71 Å²	71	104.2 Å²	104.2	43%	0.43	51%	0.511	S	S	.	.			trans	-64.9	116.4	168.9	180	0	0	0	0	106	Q2 K8 L12	Q2-V4 PolarHBondContact O-N 3.14Å; V4-K8 HydrophobicContact CG1-CB 3.61Å; V4-K8 HydrophobicContact CG1-CD 4.05Å; V4-K8 HydrophobicContact CG1-CG 3.69Å; V4-L12 HydrophobicContact CG1-CD1 4.06Å
5	G	33.5	Very low	39	Very low	45 Å²	45	106.4 Å²	106.4	46%	0.464	52%	0.52	S	S	.	.			trans	-55.1	144.4	178.4	0	0	0	0	0	110.8	S3 R7 K8 Y9	S3-G5 PolarHBondContact O-N 3.17Å; S3-G5 VanDerWaalsContact O-N 3.14Å; G5-R7 PolarHBondContact O-N 3.31Å; G5-K8 WeakPolarHBondContact O-CA 3.39Å; G5-K8 PolarHBondContact O-N 3.16Å; G5-Y9 PolarHBondContact O-N 3.1Å
6	R	34	Very low	39.5	Very low	197 Å²	197	105.3 Å²	105.3	74%	0.743	52%	0.517	S	S	*	.	H	α-helix	trans	-45.4	-41.1	-173.2	-74	-177.2	-176.9	168.2	0.7	114	Y9 L10	R6-Y9 PolarHBondContact O-N 2.65Å; R6-L10 WeakPolarHBondContact O-CG 3.48Å; R6-L10 PolarHBondContact O-N 3.1Å; R6-L10 VanDerWaalsContact O-N 3.09Å
7	R	34.4	Very low	39.7	Very low	203 Å²	203	99.2 Å²	99.2	77%	0.766	49%	0.487	S	S	*	.	H	α-helix	trans	-64.4	-48.5	177.5	-173.7	175.5	-75.7	175.8	-4.6	112.3	G5 Y9 L10 D11	G5-R7 PolarHBondContact O-N 3.31Å; R7-Y9 PolarHBondContact O-N 3.45Å; R7-L10 WeakPolarHBondContact O-CB 3.41Å; R7-L10 PolarHBondContact O-N 2.91Å; R7-D11 VanDerWaalsContact O-CG 3.25Å; R7-D11 PolarHBondContact O-N 3.09Å
8	K	42.7	Very low	40	Very low	139 Å²	139	94.8 Å²	94.8	60%	0.604	47%	0.468	S	S	*	.	H	α-helix	trans	-64.1	-31.2	178.2	-170.3	174.4	-177.6	178.8	0	112.2	V4 G5 L12	V4-K8 HydrophobicContact CG1-CB 3.61Å; V4-K8 HydrophobicContact CG1-CD 4.05Å; V4-K8 HydrophobicContact CG1-CG 3.69Å; G5-K8 WeakPolarHBondContact O-CA 3.39Å; G5-K8 PolarHBondContact O-N 3.16Å; K8-L12 HydrophobicContact CG-CD1 4.37Å; K8-L12 WeakPolarHBondContact O-CB 3.4Å; K8-L12 WeakPolarHBondContact O-CD1 3.23Å; K8-L12 WeakPolarHBondContact O-CG 3.46Å; K8-L12 PolarHBondContact O-N 3.36Å
9	Y	38.5	Very low	40.6	Very low	66 Å²	66	93.7 Å²	93.7	26%	0.259	47%	0.471	S	S	.	.	H	α-helix	trans	-66.7	-43.3	172.3	175.9	-94.2	0	0	0	111.5	G5 R6 R7 L12 V13 Y49 L59	G5-Y9 PolarHBondContact O-N 3.1Å; R6-Y9 PolarHBondContact O-N 2.65Å; R7-Y9 PolarHBondContact O-N 3.45Å; Y9-L12 PolarHBondContact O-N 3.07Å; Y9-V13 HydrophobicContact CD1-CG2 3.98Å; Y9-V13 HydrophobicContact CE1-CG2 3.73Å; Y9-V13 HydrophobicContact CE2-CG2 4.35Å; Y9-V13 HydrophobicContact CG-CG2 4.42Å; Y9-V13 WeakPolarHBondContact O-CB 3.42Å; Y9-V13 WeakPolarHBondContact O-CG2 3.4Å; Y9-V13 PolarHBondContact O-N 3.47Å; Y9-Y49 WeakPolarHBondContact OH-CB 3.27Å; Y9-Y49 PolarHBondContact OH-O 3.48Å; Y9-L59 HydrophobicContact CE1-CD2 3.99Å
10	L	40.4	Very low	40.8	Very low	32 Å²	32	94.9 Å²	94.9	17%	0.168	47%	0.47	C	S	.	.	H	α-helix	trans	-64.4	-45.9	174.8	-67.6	176.3	0	0	0	111.7	R6 R7 L12 V13 F14 L59 V63	R6-L10 WeakPolarHBondContact O-CG 3.48Å; R6-L10 PolarHBondContact O-N 3.1Å; R6-L10 VanDerWaalsContact O-N 3.09Å; R7-L10 WeakPolarHBondContact O-CB 3.41Å; R7-L10 PolarHBondContact O-N 2.91Å; L10-L12 VanDerWaalsContact C-N 3.3Å; L10-L12 PolarHBondContact O-N 3.36Å; L10-V13 PolarHBondContact O-N 2.85Å; L10-F14 HydrophobicContact CB-CD2 4.35Å; L10-F14 HydrophobicContact CD2-CE2 4.41Å; L10-F14 WeakPolarHBondContact O-CB 3.32Å; L10-F14 WeakPolarHBondContact O-CD2 3.48Å; L10-F14 PolarHBondContact O-N 3.34Å; L10-L59 HydrophobicContact CD2-CD2 3.39Å; L10-V63 HydrophobicContact CD1-CG2 3.75Å; L10-V63 HydrophobicContact CD2-CG1 4.37Å; L10-V63 HydrophobicContact CD2-CG2 3.51Å; L10-V63 HydrophobicContact CG-CG2 4.25Å
11	D	44.8	Very low	41	Very low	62 Å²	62	90.4 Å²	90.4	33%	0.332	45%	0.448	S	S	.	.	H	α-helix	trans	-58	-45.1	177.6	-60.6	-29.4	0	0	0	110.4	R7 F14 E15	R7-D11 VanDerWaalsContact O-CG 3.25Å; R7-D11 PolarHBondContact O-N 3.09Å; D11-F14 PolarHBondContact O-N 3.36Å; D11-E15 WeakPolarHBondContact O-CB 3.3Å; D11-E15 PolarHBondContact O-N 2.93Å
12	L	44.2	Very low	41.6	Very low	70 Å²	70	83.7 Å²	83.7	37%	0.366	41%	0.414	S	S	.	.	H	α-helix	trans	-60.4	-49.4	173.9	-81.7	160.7	0	0	0	112.5	V4 K8 Y9 L10 F14 E15 D16	V4-L12 HydrophobicContact CG1-CD1 4.06Å; K8-L12 HydrophobicContact CG-CD1 4.37Å; K8-L12 WeakPolarHBondContact O-CB 3.4Å; K8-L12 WeakPolarHBondContact O-CD1 3.23Å; K8-L12 WeakPolarHBondContact O-CG 3.46Å; K8-L12 PolarHBondContact O-N 3.36Å; Y9-L12 PolarHBondContact O-N 3.07Å; L10-L12 VanDerWaalsContact C-N 3.3Å; L10-L12 PolarHBondContact O-N 3.36Å; L12-F14 PolarHBondContact O-N 3.5Å; L12-E15 PolarHBondContact O-N 2.83Å; L12-D16 VanDerWaalsContact O-CB 3.23Å; L12-D16 WeakPolarHBondContact O-CB 3.11Å; L12-D16 PolarHBondContact O-N 3.41Å
13	V	43.3	Very low	42.3	Very low	5 Å²	5	77.5 Å²	77.5	3%	0.03	39%	0.39	C	S	.	.	H	α-helix	trans	-56.6	-42	177.3	173.3	0	0	0	0	110.3	Y9 L10 S17 L45 Y49	Y9-V13 HydrophobicContact CD1-CG2 3.98Å; Y9-V13 HydrophobicContact CE1-CG2 3.73Å; Y9-V13 HydrophobicContact CE2-CG2 4.35Å; Y9-V13 HydrophobicContact CG-CG2 4.42Å; Y9-V13 WeakPolarHBondContact O-CB 3.42Å; Y9-V13 WeakPolarHBondContact O-CG2 3.4Å; Y9-V13 PolarHBondContact O-N 3.47Å; L10-V13 PolarHBondContact O-N 2.85Å; V13-S17 WeakPolarHBondContact O-CA 3.25Å; V13-S17 WeakPolarHBondContact O-CB 3.26Å; V13-S17 PolarHBondContact O-N 2.9Å; V13-S17 PolarHBondContact O-OG 3.41Å; V13-L45 HydrophobicContact CG1-CD2 3.93Å; V13-Y49 HydrophobicContact CB-CD1 4.24Å; V13-Y49 HydrophobicContact CB-CE1 4.07Å; V13-Y49 HydrophobicContact CG1-CD1 4.35Å; V13-Y49 HydrophobicContact CG1-CD2 3.97Å; V13-Y49 HydrophobicContact CG1-CE1 4.29Å; V13-Y49 HydrophobicContact CG1-CE2 3.92Å; V13-Y49 HydrophobicContact CG1-CG 4.17Å; V13-Y49 HydrophobicContact CG2-CD1 3.36Å; V13-Y49 HydrophobicContact CG2-CD2 4.4Å; V13-Y49 HydrophobicContact CG2-CE1 3.59Å; V13-Y49 HydrophobicContact CG2-CG 3.79Å
14	F	45.3	Very low	42.7	Very low	17 Å²	17	76 Å²	76	8%	0.075	37%	0.366	C	S	.	.	H	α-helix	trans	-81.5	-36.3	-176.1	-78.7	-66.3	0	0	0	114.1	L10 D11 L12 S17 S18 V63 L92	L10-F14 HydrophobicContact CB-CD2 4.35Å; L10-F14 HydrophobicContact CD2-CE2 4.41Å; L10-F14 WeakPolarHBondContact O-CB 3.32Å; L10-F14 WeakPolarHBondContact O-CD2 3.48Å; L10-F14 PolarHBondContact O-N 3.34Å; D11-F14 PolarHBondContact O-N 3.36Å; L12-F14 PolarHBondContact O-N 3.5Å; F14-S17 VanDerWaalsContact CA-OG 3.31Å; F14-S17 WeakPolarHBondContact CA-OG 3.23Å; F14-S17 PolarHBondContact O-OG 3.35Å; F14-S18 WeakPolarHBondContact O-CB 3.36Å; F14-S18 PolarHBondContact O-N 2.97Å; F14-V63 HydrophobicContact CE2-CG1 4.13Å; F14-V63 HydrophobicContact CE2-CG2 4.15Å; F14-V63 HydrophobicContact CZ-CG1 3.88Å; F14-L92 HydrophobicContact CD1-CD2 4.11Å; F14-L92 WeakPolarHBondContact CD1-O 3.47Å; F14-L92 HydrophobicContact CE1-CD2 3.82Å; F14-L92 WeakPolarHBondContact CG-O 3.19Å
15	E	46.3	Very low	43	Very low	137 Å²	137	72.6 Å²	72.6	64%	0.64	35%	0.346	S	S	*	.	H	α-helix	trans	-70.5	-46.1	177.1	-167.8	170.3	-166.7	0	0	110.8	D11 L12 S18 S19	D11-E15 WeakPolarHBondContact O-CB 3.3Å; D11-E15 PolarHBondContact O-N 2.93Å; L12-E15 PolarHBondContact O-N 2.83Å; E15-S18 PolarHBondContact O-N 2.93Å; E15-S19 PolarHBondContact O-N 3.44Å; E15-S19 PolarHBondContact O-OG 3.46Å
16	D	47.4	Very low	43.2	Very low	88 Å²	88	75.7 Å²	75.7	47%	0.471	35%	0.35	S	S	.	.	H	α-helix	trans	-68.8	-40.1	174.7	-71.8	-22	0	0	0	110.9	L12 S19 Y20	L12-D16 VanDerWaalsContact O-CB 3.23Å; L12-D16 WeakPolarHBondContact O-CB 3.11Å; L12-D16 PolarHBondContact O-N 3.41Å; D16-S19 PolarHBondContact O-N 3.13Å; D16-Y20 VanDerWaalsContact O-CB 3.28Å; D16-Y20 WeakPolarHBondContact O-CB 3.38Å; D16-Y20 PolarHBondContact O-N 3.31Å
17	S	43	Very low	43.6	Very low	2 Å²	2	73.4 Å²	73.4	1%	0.014	35%	0.345	C	S	.	.	H	α-helix	trans	-70.8	-32.7	177.7	68.3	0	0	0	0	113.1	V13 F14 S19 Y20 F21	V13-S17 WeakPolarHBondContact O-CA 3.25Å; V13-S17 WeakPolarHBondContact O-CB 3.26Å; V13-S17 PolarHBondContact O-N 2.9Å; V13-S17 PolarHBondContact O-OG 3.41Å; F14-S17 VanDerWaalsContact CA-OG 3.31Å; F14-S17 WeakPolarHBondContact CA-OG 3.23Å; F14-S17 PolarHBondContact O-OG 3.35Å; S17-S19 VanDerWaalsContact C-N 3.35Å; S17-Y20 CarbonylContact O-C 3.58Å; S17-Y20 PolarHBondContact O-N 3.28Å; S17-F21 VanDerWaalsContact O-CB 3.27Å; S17-F21 WeakPolarHBondContact O-CB 3.48Å; S17-F21 WeakPolarHBondContact O-CD2 3.13Å; S17-F21 WeakPolarHBondContact O-CG 3.4Å; S17-F21 PolarHBondContact O-N 3.29Å
18	S	45.2	Very low	43.9	Very low	20 Å²	20	64.9 Å²	64.9	14%	0.14	31%	0.314	C	S	.	.	H	α-helix	trans	-58.7	-49.8	171.7	179.1	0	0	0	0	110.3	F14 E15 Y20 F21 Q22 T93	F14-S18 WeakPolarHBondContact O-CB 3.36Å; F14-S18 PolarHBondContact O-N 2.97Å; E15-S18 PolarHBondContact O-N 2.93Å; S18-Y20 VanDerWaalsContact C-N 3.32Å; S18-Y20 PolarHBondContact O-N 3.21Å; S18-F21 PolarHBondContact O-N 3.17Å; S18-Q22 WeakPolarHBondContact O-CA 3.49Å; S18-Q22 WeakPolarHBondContact O-CB 3.49Å; S18-Q22 PolarHBondContact O-N 3.29Å; S18-T93 WeakPolarHBondContact OG-CG2 3.18Å
19	S	50.3	Low	44.1	Very low	75 Å²	75	69.9 Å²	69.9	52%	0.524	33%	0.329	S	S	.	.	H	α-helix	trans	-62.4	-39.4	175.8	-55.9	0	0	0	0	112.1	E15 D16 S17 P23	E15-S19 PolarHBondContact O-N 3.44Å; E15-S19 PolarHBondContact O-OG 3.46Å; D16-S19 PolarHBondContact O-N 3.13Å; S17-S19 VanDerWaalsContact C-N 3.35Å; S19-P23 VanDerWaalsContact O-CD 3.3Å; S19-P23 WeakPolarHBondContact O-CD 3.22Å
20	Y	46.3	Very low	44.5	Very low	116 Å²	116	69.3 Å²	69.3	46%	0.455	33%	0.334	S	S	.	.	H	α-helix	trans	-67.7	-39.6	177.4	-175.8	-102.9	0	0	0	112.7	D16 S17 S18 Y24	D16-Y20 VanDerWaalsContact O-CB 3.28Å; D16-Y20 WeakPolarHBondContact O-CB 3.38Å; D16-Y20 PolarHBondContact O-N 3.31Å; S17-Y20 CarbonylContact O-C 3.58Å; S17-Y20 PolarHBondContact O-N 3.28Å; S18-Y20 VanDerWaalsContact C-N 3.32Å; S18-Y20 PolarHBondContact O-N 3.21Å; Y20-Y24 WeakPolarHBondContact O-CD2 3.48Å; Y20-Y24 WeakPolarHBondContact O-CE2 3.4Å
21	F	44.5	Very low	44.7	Very low	2 Å²	2	72.6 Å²	72.6	1%	0.009	35%	0.351	C	S	.	.	H	α-helix	trans	-92.9	-22.3	-175.5	-67.7	-59.6	0	0	0	114.4	S17 S18 P23 Y24 F25 R40 L41 L45	S17-F21 VanDerWaalsContact O-CB 3.27Å; S17-F21 WeakPolarHBondContact O-CB 3.48Å; S17-F21 WeakPolarHBondContact O-CD2 3.13Å; S17-F21 WeakPolarHBondContact O-CG 3.4Å; S17-F21 PolarHBondContact O-N 3.29Å; S18-F21 PolarHBondContact O-N 3.17Å; F21-P23 VanDerWaalsContact C-N 3.3Å; F21-Y24 WeakPolarHBondContact O-CA 3.47Å; F21-Y24 WeakPolarHBondContact O-CB 3.21Å; F21-Y24 PolarHBondContact O-N 3.27Å; F21-F25 HydrophobicContact CB-CD2 3.62Å; F21-F25 HydrophobicContact CB-CE2 3.43Å; F21-F25 VanDerWaalsContact CB-CE2 3.43Å; F21-F25 HydrophobicContact CG-CE2 4.11Å; F21-F25 WeakPolarHBondContact O-CD2 3.15Å; F21-F25 PolarHBondContact O-N 3.12Å; F21-R40 HydrophobicContact CE1-CB 3.89Å; F21-L41 HydrophobicContact CD2-CD2 3.99Å; F21-L41 HydrophobicContact CE1-CD2 4.24Å; F21-L41 HydrophobicContact CE1-CG 4.18Å; F21-L41 HydrophobicContact CE2-CD2 3.34Å; F21-L41 HydrophobicContact CE2-CG 4.16Å; F21-L41 HydrophobicContact CZ-CD2 3.52Å; F21-L41 HydrophobicContact CZ-CG 3.86Å; F21-L45 HydrophobicContact CD2-CD1 4.45Å; F21-L45 HydrophobicContact CE2-CD1 3.2Å; F21-L45 HydrophobicContact CZ-CB 4.46Å; F21-L45 HydrophobicContact CZ-CD1 3.46Å; F21-L45 VanDerWaalsContact CZ-CD1 3.46Å
22	Q	47.7	Very low	45.2	Very low	102 Å²	102	72.8 Å²	72.8	48%	0.477	36%	0.358	S	S	.	.	H	α-helix	trans	-51.6	-42.5	-179.8	-176.6	-173.8	15.8	0	0	112.6	S18 Y24 M26	S18-Q22 WeakPolarHBondContact O-CA 3.49Å; S18-Q22 WeakPolarHBondContact O-CB 3.49Å; S18-Q22 PolarHBondContact O-N 3.29Å; Q22-Y24 VanDerWaalsContact C-N 3.26Å; Q22-Y24 PolarHBondContact O-N 2.76Å; Q22-M26 HydrophobicContact CG-CG 4.24Å; Q22-M26 VanDerWaalsContact O-CB 3.26Å; Q22-M26 WeakPolarHBondContact O-CB 3.47Å; Q22-M26 VanDerWaalsContact O-CG 3.22Å; Q22-M26 WeakPolarHBondContact O-CG 3.3Å; Q22-M26 PolarHBondContact O-N 3.07Å
23	P	47.7	Very low	45.5	Very low	59 Å²	59	72.3 Å²	72.3	38%	0.383	36%	0.355	S	S	.	.	H	α-helix	trans	-66	-27.3	175.2	-19	31.8	0	0	0	113.6	S19 F21 K27	S19-P23 VanDerWaalsContact O-CD 3.3Å; S19-P23 WeakPolarHBondContact O-CD 3.22Å; F21-P23 VanDerWaalsContact C-N 3.3Å; P23-K27 VanDerWaalsContact O-CB 3.25Å; P23-K27 WeakPolarHBondContact O-CB 3.19Å; P23-K27 VanDerWaalsContact O-CD 3.3Å; P23-K27 WeakPolarHBondContact O-CD 3.36Å; P23-K27 WeakPolarHBondContact O-CG 3.09Å; P23-K27 PolarHBondContact O-N 3.34Å
24	Y	43	Very low	45.7	Very low	87 Å²	87	72.8 Å²	72.8	34%	0.341	36%	0.357	S	S	.	.	H	α-helix	trans	-79.3	-51.8	179.6	-62.5	-85.6	0	0	0	109.8	Y20 F21 Q22 M26 K27 E28 R40	Y20-Y24 WeakPolarHBondContact O-CD2 3.48Å; Y20-Y24 WeakPolarHBondContact O-CE2 3.4Å; F21-Y24 WeakPolarHBondContact O-CA 3.47Å; F21-Y24 WeakPolarHBondContact O-CB 3.21Å; F21-Y24 PolarHBondContact O-N 3.27Å; Q22-Y24 VanDerWaalsContact C-N 3.26Å; Q22-Y24 PolarHBondContact O-N 2.76Å; Y24-M26 PolarHBondContact O-N 3.48Å; Y24-K27 PolarHBondContact O-N 3.21Å; Y24-K27 VanDerWaalsContact O-N 3.12Å; Y24-E28 WeakPolarHBondContact O-CG 3.2Å; Y24-E28 PolarHBondContact O-N 3.1Å; Y24-R40 PolarHBondContact OH-NH1 3.25Å
25	F	40.5	Very low	46.1	Very low	1 Å²	1	77.2 Å²	77.2	0%	0.004	38%	0.382	C	S	.	.	H	α-helix	trans	-58.4	-45.4	176.3	-72.7	-60.7	0	0	0	112.7	F21 K27 E28 T37 L41 L74 L85 I88 I89 L92	F21-F25 HydrophobicContact CB-CD2 3.62Å; F21-F25 HydrophobicContact CB-CE2 3.43Å; F21-F25 VanDerWaalsContact CB-CE2 3.43Å; F21-F25 HydrophobicContact CG-CE2 4.11Å; F21-F25 WeakPolarHBondContact O-CD2 3.15Å; F21-F25 PolarHBondContact O-N 3.12Å; F25-K27 PolarHBondContact O-N 3.4Å; F25-E28 PolarHBondContact O-N 3.24Å; F25-T37 HydrophobicContact CD1-CG2 4.11Å; F25-T37 HydrophobicContact CE1-CG2 3.58Å; F25-T37 HydrophobicContact CE2-CG2 4.4Å; F25-T37 HydrophobicContact CZ-CG2 3.75Å; F25-L41 HydrophobicContact CZ-CD1 4.04Å; F25-L74 HydrophobicContact CD1-CD2 4.37Å; F25-L74 HydrophobicContact CE1-CD1 4.22Å; F25-L74 HydrophobicContact CE1-CD2 3.9Å; F25-L85 HydrophobicContact CB-CD2 4.13Å; F25-L85 HydrophobicContact CD1-CD2 3.81Å; F25-L85 HydrophobicContact CG-CD2 4.43Å; F25-L85 WeakPolarHBondContact O-CD1 3.49Å; F25-I88 HydrophobicContact CE1-CG2 3.88Å; F25-I88 HydrophobicContact CZ-CG2 3.97Å; F25-I89 HydrophobicContact CB-CD1 3.91Å; F25-I89 HydrophobicContact CB-CG1 4.24Å; F25-I89 HydrophobicContact CD2-CD1 4.32Å; F25-I89 HydrophobicContact CD2-CG1 3.85Å; F25-I89 HydrophobicContact CE2-CG1 4.48Å; F25-I89 HydrophobicContact CG-CD1 4.4Å; F25-I89 HydrophobicContact CG-CG1 4.19Å; F25-L92 HydrophobicContact CE2-CD1 3.47Å; F25-L92 VanDerWaalsContact CE2-CD1 3.47Å; F25-L92 HydrophobicContact CZ-CD1 3.66Å
26	M	38.4	Very low	46.7	Very low	110 Å²	110	73.9 Å²	73.9	54%	0.542	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-17.1	-179.2	-68.2	-69.8	140.6	0	0	113.3	Q22 Y24 I89	Q22-M26 HydrophobicContact CG-CG 4.24Å; Q22-M26 VanDerWaalsContact O-CB 3.26Å; Q22-M26 WeakPolarHBondContact O-CB 3.47Å; Q22-M26 VanDerWaalsContact O-CG 3.22Å; Q22-M26 WeakPolarHBondContact O-CG 3.3Å; Q22-M26 PolarHBondContact O-N 3.07Å; Y24-M26 PolarHBondContact O-N 3.48Å; M26-I89 HydrophobicContact CE-CD1 3.29Å
27	K	42.1	Very low	46.9	Very low	148 Å²	148	69.8 Å²	69.8	64%	0.643	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-7.7	178.2	-73.9	-179.1	-175.1	179.4	0	114	P23 Y24 F25 R29	P23-K27 VanDerWaalsContact O-CB 3.25Å; P23-K27 WeakPolarHBondContact O-CB 3.19Å; P23-K27 VanDerWaalsContact O-CD 3.3Å; P23-K27 WeakPolarHBondContact O-CD 3.36Å; P23-K27 WeakPolarHBondContact O-CG 3.09Å; P23-K27 PolarHBondContact O-N 3.34Å; Y24-K27 PolarHBondContact O-N 3.21Å; Y24-K27 VanDerWaalsContact O-N 3.12Å; F25-K27 PolarHBondContact O-N 3.4Å; K27-R29 VanDerWaalsContact C-N 3.35Å; K27-R29 PolarHBondContact O-N 3.03Å
28	E	40.7	Very low	47.4	Very low	24 Å²	24	73.4 Å²	73.4	11%	0.112	36%	0.362	C	S	.	.			trans	-62.8	91.5	-176.1	-61.8	-169.2	162.7	0	0	111.3	Y24 F25 D33 I34 T37 L85	Y24-E28 WeakPolarHBondContact O-CG 3.2Å; Y24-E28 PolarHBondContact O-N 3.1Å; F25-E28 PolarHBondContact O-N 3.24Å; E28-D33 HydrophobicContact CB-CB 4.41Å; E28-D33 HydrophobicContact CG-CB 4.07Å; E28-I34 HydrophobicContact CB-CG1 4.14Å; E28-I34 HydrophobicContact CG-CG1 4.27Å; E28-I34 WeakPolarHBondContact OE2-CG1 3.34Å; E28-T37 WeakPolarHBondContact OE1-CB 3.11Å; E28-T37 PolarHBondContact OE1-OG1 3.19Å; E28-L85 WeakPolarHBondContact OE2-CD2 3.29Å
29	R	45.5	Very low	48.2	Very low	244 Å²	244	77.8 Å²	77.8	92%	0.921	38%	0.379	S	S	*	.			trans	-97.4	-21.6	170.7	-65.6	-171.3	-172.6	-171.2	3.2	111.6	K27	K27-R29 VanDerWaalsContact C-N 3.35Å; K27-R29 PolarHBondContact O-N 3.03Å
30	C	47.4	Very low	48.7	Very low	54 Å²	54	76.8 Å²	76.8	37%	0.365	36%	0.363	S	S	.	.	S	Bend	trans	-134.5	150.5	-172.9	60.3	0	0	0	0	112.7	S32 D33 I34	C30-S32 PolarHBondContact O-N 3.49Å; C30-S32 PolarHBondContact SG-OG 3.23Å; C30-D33 PolarHBondContact O-N 2.9Å; C30-D33 PolarHBondContact SG-OD2 3.33Å; C30-I34 WeakPolarHBondContact O-CG1 3.28Å
31	L	45.2	Very low	49.3	Very low	101 Å²	101	71.4 Å²	71.4	53%	0.529	34%	0.343	S	S	.	.	H	α-helix	trans	-53.1	-28.9	-179.9	-73.1	164.8	0	0	0	113.9	I34 L35 P77	L31-I34 WeakPolarHBondContact O-CB 3.18Å; L31-I34 PolarHBondContact O-N 3.19Å; L31-L35 WeakPolarHBondContact O-CG 3.47Å; L31-L35 PolarHBondContact O-N 3.26Å; L31-L35 VanDerWaalsContact O-N 3.08Å; L31-P77 HydrophobicContact CD2-CB 3.84Å
32	S	54.6	Low	49.8	Very low	67 Å²	67	74.3 Å²	74.3	47%	0.469	36%	0.358	S	S	.	.	H	α-helix	trans	-66.7	-37.3	177.7	52.2	0	0	0	0	113.1	C30 I34 L35 T36	C30-S32 PolarHBondContact O-N 3.49Å; C30-S32 PolarHBondContact SG-OG 3.23Å; S32-I34 VanDerWaalsContact C-N 3.3Å; S32-L35 PolarHBondContact O-N 3.19Å; S32-T36 PolarHBondContact O-N 3.43Å; S32-T36 PolarHBondContact O-OG1 2.84Å
33	D	51.2	Low	50.4	Low	59 Å²	59	75.2 Å²	75.2	32%	0.316	36%	0.362	S	S	.	.	H	α-helix	trans	-65.9	-41.2	177.9	-64	-16.7	0	0	0	109.6	E28 C30 L35 T36 T37	E28-D33 HydrophobicContact CB-CB 4.41Å; E28-D33 HydrophobicContact CG-CB 4.07Å; C30-D33 PolarHBondContact O-N 2.9Å; C30-D33 PolarHBondContact SG-OD2 3.33Å; D33-L35 PolarHBondContact O-N 3.15Å; D33-T36 CarbonylContact O-C 3.58Å; D33-T36 WeakPolarHBondContact O-CA 3.31Å; D33-T36 WeakPolarHBondContact O-CB 3.43Å; D33-T36 PolarHBondContact O-N 3.29Å; D33-T36 VanDerWaalsContact O-N 3.09Å; D33-T37 PolarHBondContact O-N 3.46Å; D33-T37 PolarHBondContact O-OG1 3.03Å
34	I	47.8	Very low	50.9	Low	15 Å²	15	76.2 Å²	76.2	8%	0.077	36%	0.362	C	S	.	.	H	α-helix	trans	-61.7	-45.3	178.3	-48.8	-170.3	0	0	0	111.6	E28 C30 L31 S32 T36 T37 R38 L74 P77	E28-I34 HydrophobicContact CB-CG1 4.14Å; E28-I34 HydrophobicContact CG-CG1 4.27Å; E28-I34 WeakPolarHBondContact OE2-CG1 3.34Å; C30-I34 WeakPolarHBondContact O-CG1 3.28Å; L31-I34 WeakPolarHBondContact O-CB 3.18Å; L31-I34 PolarHBondContact O-N 3.19Å; S32-I34 VanDerWaalsContact C-N 3.3Å; I34-T36 VanDerWaalsContact C-N 3.29Å; I34-T36 PolarHBondContact O-N 2.98Å; I34-T37 PolarHBondContact O-N 2.65Å; I34-R38 WeakPolarHBondContact O-CB 3.22Å; I34-R38 PolarHBondContact O-N 3.32Å; I34-L74 HydrophobicContact CG2-CB 3.75Å; I34-L74 HydrophobicContact CG2-CD2 3.85Å; I34-L74 HydrophobicContact CG2-CG 4.32Å; I34-L74 WeakPolarHBondContact CG2-O 3.3Å; I34-P77 HydrophobicContact CD1-CB 3.54Å; I34-P77 HydrophobicContact CD1-CG 3.31Å; I34-P77 HydrophobicContact CG2-CG 4.38Å
35	L	53.5	Low	51.5	Low	111 Å²	111	72.9 Å²	72.9	58%	0.581	35%	0.35	S	S	*	.	H	α-helix	trans	-63.8	-36.7	174.6	-70.8	174.2	0	0	0	111.9	L31 S32 D33 R38 K39	L31-L35 WeakPolarHBondContact O-CG 3.47Å; L31-L35 PolarHBondContact O-N 3.26Å; L31-L35 VanDerWaalsContact O-N 3.08Å; S32-L35 PolarHBondContact O-N 3.19Å; D33-L35 PolarHBondContact O-N 3.15Å; L35-R38 PolarHBondContact O-N 3.07Å; L35-K39 PolarHBondContact O-N 3.08Å
36	T	59.2	Low	52.1	Low	67 Å²	67	73.4 Å²	73.4	41%	0.411	35%	0.353	S	S	.	.	H	α-helix	trans	-66.3	-48.1	176.1	-55.5	0	0	0	0	110.3	S32 D33 I34 R38 K39 R40	S32-T36 PolarHBondContact O-N 3.43Å; S32-T36 PolarHBondContact O-OG1 2.84Å; D33-T36 CarbonylContact O-C 3.58Å; D33-T36 WeakPolarHBondContact O-CA 3.31Å; D33-T36 WeakPolarHBondContact O-CB 3.43Å; D33-T36 PolarHBondContact O-N 3.29Å; D33-T36 VanDerWaalsContact O-N 3.09Å; I34-T36 VanDerWaalsContact C-N 3.29Å; I34-T36 PolarHBondContact O-N 2.98Å; T36-R38 VanDerWaalsContact C-N 3.31Å; T36-R38 PolarHBondContact O-N 3.35Å; T36-K39 PolarHBondContact O-N 3.41Å; T36-R40 WeakPolarHBondContact O-CG 3.42Å; T36-R40 PolarHBondContact O-N 2.91Å
37	T	52.2	Low	52.9	Low	2 Å²	2	71 Å²	71	1%	0.012	35%	0.351	C	S	.	.	H	α-helix	trans	-57.9	-43.5	175.9	-54.3	0	0	0	0	111.3	F25 E28 D33 I34 R40 L41 L74	F25-T37 HydrophobicContact CD1-CG2 4.11Å; F25-T37 HydrophobicContact CE1-CG2 3.58Å; F25-T37 HydrophobicContact CE2-CG2 4.4Å; F25-T37 HydrophobicContact CZ-CG2 3.75Å; E28-T37 WeakPolarHBondContact OE1-CB 3.11Å; E28-T37 PolarHBondContact OE1-OG1 3.19Å; D33-T37 PolarHBondContact O-N 3.46Å; D33-T37 PolarHBondContact O-OG1 3.03Å; I34-T37 PolarHBondContact O-N 2.65Å; T37-R40 PolarHBondContact O-N 3.25Å; T37-L41 HydrophobicContact CG2-CD1 3.96Å; T37-L41 WeakPolarHBondContact O-CG 3.38Å; T37-L41 PolarHBondContact O-N 3.37Å; T37-L74 HydrophobicContact CG2-CD1 4.27Å
38	R	52.9	Low	53.5	Low	78 Å²	78	67.7 Å²	67.7	29%	0.294	35%	0.351	S	S	.	.	H	α-helix	trans	-58.4	-49	174.7	-179.9	-171.3	-177	159.3	13.6	112.4	I34 L35 T36 R40 L41 N42 S71 E75	I34-R38 WeakPolarHBondContact O-CB 3.22Å; I34-R38 PolarHBondContact O-N 3.32Å; L35-R38 PolarHBondContact O-N 3.07Å; T36-R38 VanDerWaalsContact C-N 3.31Å; T36-R38 PolarHBondContact O-N 3.35Å; R38-R40 VanDerWaalsContact C-N 3.25Å; R38-R40 PolarHBondContact O-N 3.03Å; R38-L41 PolarHBondContact O-N 3.02Å; R38-N42 PolarHBondContact O-N 3.05Å; R38-S71 PolarHBondContact NE-OG 2.83Å; R38-S71 PolarHBondContact NH2-OG 3.27Å; R38-E75 IonicContact CZ-OE1 2.78Å; R38-E75 IonicContact NH1-OE1 2.67Å; R38-E75 PolarHBondContact NH1-OE1 2.58Å; R38-E75 IonicContact NH2-OE1 2.75Å; R38-E75 PolarHBondContact NH2-OE1 2.95Å
39	K	61.4	Low	53.9	Low	112 Å²	112	70 Å²	70	49%	0.487	36%	0.359	S	S	.	.	H	α-helix	trans	-57.8	-43.8	179	-171.9	-176.3	177.5	-176	0	110.4	L35 T36 E43 E44	L35-K39 PolarHBondContact O-N 3.08Å; T36-K39 PolarHBondContact O-N 3.41Å; K39-E43 WeakPolarHBondContact CE-OE2 3.33Å; K39-E43 HydrophobicContact CG-CG 4.41Å; K39-E43 VanDerWaalsContact CG-OE2 3.3Å; K39-E43 WeakPolarHBondContact CG-OE2 3.45Å; K39-E43 WeakPolarHBondContact O-CA 3.34Å; K39-E43 VanDerWaalsContact O-CB 3.26Å; K39-E43 WeakPolarHBondContact O-CB 3.22Å; K39-E43 PolarHBondContact O-N 2.87Å; K39-E44 PolarHBondContact O-N 3.21Å
40	R	61.1	Low	53.9	Low	53 Å²	53	58.3 Å²	58.3	20%	0.2	32%	0.315	C	S	.	.	I	π-helix	trans	-65.2	-40.5	178.5	-65.1	-166.7	170.8	-178	1.4	113.1	F21 Y24 T36 T37 R38 E44 L45	F21-R40 HydrophobicContact CE1-CB 3.89Å; Y24-R40 PolarHBondContact OH-NH1 3.25Å; T36-R40 WeakPolarHBondContact O-CG 3.42Å; T36-R40 PolarHBondContact O-N 2.91Å; T37-R40 PolarHBondContact O-N 3.25Å; R38-R40 VanDerWaalsContact C-N 3.25Å; R38-R40 PolarHBondContact O-N 3.03Å; R40-E44 HydrophobicContact CB-CB 4.47Å; R40-E44 HydrophobicContact CG-CG 4.44Å; R40-E44 WeakPolarHBondContact CG-OE2 3.13Å; R40-E44 IonicContact NE-OE2 2.86Å; R40-E44 CarbonylContact O-C 3.58Å; R40-E44 WeakPolarHBondContact O-CB 3.26Å; R40-E44 PolarHBondContact O-N 3.03Å; R40-L45 WeakPolarHBondContact O-CB 3.34Å; R40-L45 PolarHBondContact O-N 3.14Å
41	L	58.3	Low	53.9	Low	4 Å²	4	57.6 Å²	57.6	2%	0.021	32%	0.317	C	S	.	.	I	π-helix	trans	-68	-42.2	178.4	-77.8	163.9	0	0	0	113.3	F21 F25 T37 R38 L45 P46 L67 I70 L74	F21-L41 HydrophobicContact CD2-CD2 3.99Å; F21-L41 HydrophobicContact CE1-CD2 4.24Å; F21-L41 HydrophobicContact CE1-CG 4.18Å; F21-L41 HydrophobicContact CE2-CD2 3.34Å; F21-L41 HydrophobicContact CE2-CG 4.16Å; F21-L41 HydrophobicContact CZ-CD2 3.52Å; F21-L41 HydrophobicContact CZ-CG 3.86Å; F25-L41 HydrophobicContact CZ-CD1 4.04Å; T37-L41 HydrophobicContact CG2-CD1 3.96Å; T37-L41 WeakPolarHBondContact O-CG 3.38Å; T37-L41 PolarHBondContact O-N 3.37Å; R38-L41 PolarHBondContact O-N 3.02Å; L41-L45 HydrophobicContact CD2-CD1 4.47Å; L41-P46 WeakPolarHBondContact O-CD 3.41Å; L41-L67 HydrophobicContact CB-CD2 4.43Å; L41-L67 HydrophobicContact CD2-CD2 4.03Å; L41-I70 HydrophobicContact CD1-CG2 3.73Å; L41-L74 HydrophobicContact CD1-CD1 3.91Å
42	N	55.7	Low	54.1	Low	62 Å²	62	62.6 Å²	62.6	33%	0.332	34%	0.337	S	S	.	.	I	π-helix	trans	-89.2	-30.5	-174	-70.7	-14.6	0	0	0	113.5	R38 P46	R38-N42 PolarHBondContact O-N 3.05Å; N42-P46 WeakPolarHBondContact O-CG 3.39Å
43	E	60	Low	54.1	Low	122 Å²	122	66.2 Å²	66.2	57%	0.57	35%	0.347	S	S	*	.	I	π-helix	trans	-110.9	-51.2	-173.4	-57.5	176.7	-172.3	0	0	111.7	K39 A47	K39-E43 WeakPolarHBondContact CE-OE2 3.33Å; K39-E43 HydrophobicContact CG-CG 4.41Å; K39-E43 VanDerWaalsContact CG-OE2 3.3Å; K39-E43 WeakPolarHBondContact CG-OE2 3.45Å; K39-E43 WeakPolarHBondContact O-CA 3.34Å; K39-E43 VanDerWaalsContact O-CB 3.26Å; K39-E43 WeakPolarHBondContact O-CB 3.22Å; K39-E43 PolarHBondContact O-N 2.87Å; E43-A47 WeakPolarHBondContact O-CB 3.37Å; E43-A47 PolarHBondContact O-N 3.23Å
44	E	58.7	Low	54	Low	80 Å²	80	67 Å²	67	37%	0.374	35%	0.351	S	S	.	.	I	π-helix	trans	-77.4	-41.4	-173.4	-62.8	-177.9	-168.3	0	0	112.7	K39 R40 A47 A48	K39-E44 PolarHBondContact O-N 3.21Å; R40-E44 HydrophobicContact CB-CB 4.47Å; R40-E44 HydrophobicContact CG-CG 4.44Å; R40-E44 WeakPolarHBondContact CG-OE2 3.13Å; R40-E44 IonicContact NE-OE2 2.86Å; R40-E44 CarbonylContact O-C 3.58Å; R40-E44 WeakPolarHBondContact O-CB 3.26Å; R40-E44 PolarHBondContact O-N 3.03Å; E44-A47 PolarHBondContact O-N 3.34Å; E44-A48 VanDerWaalsContact O-CB 3.24Å; E44-A48 WeakPolarHBondContact O-CB 3.36Å; E44-A48 PolarHBondContact O-N 3.2Å
45	L	56.2	Low	53.8	Low	17 Å²	17	70.4 Å²	70.4	9%	0.089	37%	0.366	C	S	.	.	H	α-helix	trans	-67.3	-46.4	-176.1	-169.4	146.8	0	0	0	112	V13 F21 R40 L41 A47 A48 Y49	V13-L45 HydrophobicContact CG1-CD2 3.93Å; F21-L45 HydrophobicContact CD2-CD1 4.45Å; F21-L45 HydrophobicContact CE2-CD1 3.2Å; F21-L45 HydrophobicContact CZ-CB 4.46Å; F21-L45 HydrophobicContact CZ-CD1 3.46Å; F21-L45 VanDerWaalsContact CZ-CD1 3.46Å; R40-L45 WeakPolarHBondContact O-CB 3.34Å; R40-L45 PolarHBondContact O-N 3.14Å; L41-L45 HydrophobicContact CD2-CD1 4.47Å; L45-A47 VanDerWaalsContact C-N 3.26Å; L45-A47 PolarHBondContact O-N 3.21Å; L45-A48 PolarHBondContact O-N 3.38Å; L45-Y49 HydrophobicContact CD1-CE2 4.3Å; L45-Y49 HydrophobicContact CD2-CD2 4.01Å; L45-Y49 HydrophobicContact CD2-CE2 4.4Å; L45-Y49 HydrophobicContact CG-CD2 3.75Å; L45-Y49 HydrophobicContact CG-CE2 3.88Å; L45-Y49 WeakPolarHBondContact O-CB 3.47Å; L45-Y49 WeakPolarHBondContact O-CD2 3.45Å; L45-Y49 PolarHBondContact O-N 2.8Å
46	P	52.1	Low	53.4	Low	11 Å²	11	69.3 Å²	69.3	7%	0.071	36%	0.355	C	S	.	.	H	α-helix	trans	-61.4	-33.9	172.3	-25.7	37.9	0	0	0	112.8	L41 N42 G50 W56	L41-P46 WeakPolarHBondContact O-CD 3.41Å; N42-P46 WeakPolarHBondContact O-CG 3.39Å; P46-G50 WeakPolarHBondContact O-CA 3.11Å; P46-G50 PolarHBondContact O-N 3.19Å; P46-W56 HydrophobicContact CB-CB 3.76Å; P46-W56 HydrophobicContact CB-CD2 3.82Å; P46-W56 HydrophobicContact CB-CE3 4.34Å; P46-W56 HydrophobicContact CB-CG 3.54Å
47	A	55.6	Low	52.7	Low	60 Å²	60	74.6 Å²	74.6	50%	0.496	37%	0.367	S	S	.	.	H	α-helix	trans	-72.7	-44.7	177.4	0	0	0	0	0	112.7	E43 E44 L45 G51	E43-A47 WeakPolarHBondContact O-CB 3.37Å; E43-A47 PolarHBondContact O-N 3.23Å; E44-A47 PolarHBondContact O-N 3.34Å; L45-A47 VanDerWaalsContact C-N 3.26Å; L45-A47 PolarHBondContact O-N 3.21Å; A47-G51 PolarHBondContact O-N 2.96Å
48	A	54.1	Low	52.4	Low	79 Å²	79	82.2 Å²	82.2	65%	0.653	40%	0.397	S	S	*	.	H	α-helix	trans	-64.8	-41.9	-178.9	0	0	0	0	0	112	E44 L45	E44-A48 VanDerWaalsContact O-CB 3.24Å; E44-A48 WeakPolarHBondContact O-CB 3.36Å; E44-A48 PolarHBondContact O-N 3.2Å; L45-A48 PolarHBondContact O-N 3.38Å
49	Y	48.6	Very low	51.9	Low	71 Å²	71	79.6 Å²	79.6	28%	0.278	39%	0.388	S	S	.	.	H	α-helix	trans	-89.4	-37.4	179.9	-74.2	-78.7	0	0	0	112.3	Y9 V13 L45 G51	Y9-Y49 WeakPolarHBondContact OH-CB 3.27Å; Y9-Y49 PolarHBondContact OH-O 3.48Å; V13-Y49 HydrophobicContact CB-CD1 4.24Å; V13-Y49 HydrophobicContact CB-CE1 4.07Å; V13-Y49 HydrophobicContact CG1-CD1 4.35Å; V13-Y49 HydrophobicContact CG1-CD2 3.97Å; V13-Y49 HydrophobicContact CG1-CE1 4.29Å; V13-Y49 HydrophobicContact CG1-CE2 3.92Å; V13-Y49 HydrophobicContact CG1-CG 4.17Å; V13-Y49 HydrophobicContact CG2-CD1 3.36Å; V13-Y49 HydrophobicContact CG2-CD2 4.4Å; V13-Y49 HydrophobicContact CG2-CE1 3.59Å; V13-Y49 HydrophobicContact CG2-CG 3.79Å; L45-Y49 HydrophobicContact CD1-CE2 4.3Å; L45-Y49 HydrophobicContact CD2-CD2 4.01Å; L45-Y49 HydrophobicContact CD2-CE2 4.4Å; L45-Y49 HydrophobicContact CG-CD2 3.75Å; L45-Y49 HydrophobicContact CG-CE2 3.88Å; L45-Y49 WeakPolarHBondContact O-CB 3.47Å; L45-Y49 WeakPolarHBondContact O-CD2 3.45Å; L45-Y49 PolarHBondContact O-N 2.8Å; Y49-G51 PolarHBondContact O-N 3Å
50	G	46.1	Very low	51.2	Low	0 Å²	0	78.7 Å²	78.7	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-68.9	-21.1	178.5	0	0	0	0	0	114.3	P46 N54 H55	P46-G50 WeakPolarHBondContact O-CA 3.11Å; P46-G50 PolarHBondContact O-N 3.19Å; G50-N54 PolarHBondContact O-N 3.07Å; G50-H55 PolarHBondContact O-CD2 3.4Å; G50-H55 VanDerWaalsContact O-CD2 3.26Å; G50-H55 PolarHBondContact O-N 2.86Å
51	G	47.2	Very low	50.2	Low	39 Å²	39	78.1 Å²	78.1	40%	0.402	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	55.7	-169.8	-173.5	0	0	0	0	0	112.8	A47 Y49 Q53 N54	A47-G51 PolarHBondContact O-N 2.96Å; Y49-G51 PolarHBondContact O-N 3Å; G51-Q53 PolarHBondContact O-N 3.43Å; G51-N54 PolarHBondContact O-N 2.69Å
52	H	49.6	Very low	49.5	Very low	205 Å²	205	83.1 Å²	83.1	95%	0.949	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-60.9	-12.6	177	-123.5	54.3	0	0	0	114
53	Q	53.9	Low	49.2	Very low	144 Å²	144	80.5 Å²	80.5	67%	0.673	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-99.5	7.3	-174.5	-63.9	-168.5	-1.6	0	0	114.2	G51 H55	G51-Q53 PolarHBondContact O-N 3.43Å; Q53-H55 VanDerWaalsContact C-N 3.29Å; Q53-H55 PolarHBondContact O-N 3.14Å; Q53-H55 PolarHBondContact OE1-CE1 3Å; Q53-H55 PolarHBondContact OE1-NE2 2.86Å
54	N	49.6	Very low	48.6	Very low	75 Å²	75	77.6 Å²	77.6	40%	0.401	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	35.4	-179.4	-63.7	-60.1	0	0	0	113.8	G50 G51 W56 R57	G50-N54 PolarHBondContact O-N 3.07Å; G51-N54 PolarHBondContact O-N 2.69Å; N54-W56 PolarHBondContact O-N 3.02Å; N54-W56 PolarHBondContact OD1-NE1 3.38Å; N54-R57 HydrophobicContact CB-CG 4.11Å; N54-R57 WeakPolarHBondContact O-CB 3.05Å; N54-R57 PolarHBondContact O-N 2.78Å
55	H	43.8	Very low	48.1	Very low	86 Å²	86	78.8 Å²	78.8	40%	0.398	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-58.9	-21.7	-179.7	-66.8	-64.6	0	0	0	113.3	G50 Q53 R57 Y58	G50-H55 PolarHBondContact O-CD2 3.4Å; G50-H55 VanDerWaalsContact O-CD2 3.26Å; G50-H55 PolarHBondContact O-N 2.86Å; Q53-H55 VanDerWaalsContact C-N 3.29Å; Q53-H55 PolarHBondContact O-N 3.14Å; Q53-H55 PolarHBondContact OE1-CE1 3Å; Q53-H55 PolarHBondContact OE1-NE2 2.86Å; H55-R57 PolarHBondContact O-N 2.85Å; H55-Y58 WeakPolarHBondContact O-CB 3.15Å; H55-Y58 PolarHBondContact O-N 2.9Å
56	W	44.4	Very low	47.9	Very low	88 Å²	88	79.3 Å²	79.3	33%	0.333	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-61	-25.5	174.4	72.9	-99.5	0	0	0	113	P46 N54 Y58 L59	P46-W56 HydrophobicContact CB-CB 3.76Å; P46-W56 HydrophobicContact CB-CD2 3.82Å; P46-W56 HydrophobicContact CB-CE3 4.34Å; P46-W56 HydrophobicContact CB-CG 3.54Å; N54-W56 PolarHBondContact O-N 3.02Å; N54-W56 PolarHBondContact OD1-NE1 3.38Å; W56-Y58 PolarHBondContact O-N 2.64Å; W56-Y58 VanDerWaalsContact O-N 3.17Å; W56-L59 HydrophobicContact CB-CD1 3.77Å; W56-L59 HydrophobicContact CB-CG 4.32Å; W56-L59 WeakPolarHBondContact O-CB 2.99Å; W56-L59 WeakPolarHBondContact O-CD1 3.37Å; W56-L59 WeakPolarHBondContact O-CG 3.28Å; W56-L59 PolarHBondContact O-N 3.02Å
57	R	46	Very low	47.9	Very low	178 Å²	178	79.6 Å²	79.6	67%	0.672	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-64.1	-17.7	174	-68.8	-178.6	174.1	-133.2	-0.1	112.9	N54 H55	N54-R57 HydrophobicContact CB-CG 4.11Å; N54-R57 WeakPolarHBondContact O-CB 3.05Å; N54-R57 PolarHBondContact O-N 2.78Å; H55-R57 PolarHBondContact O-N 2.85Å
58	Y	44.1	Very low	47.9	Very low	163 Å²	163	79.3 Å²	79.3	64%	0.639	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-95.4	4.4	173.9	-56.4	-81.5	0	0	0	112.9	H55 W56 D60	H55-Y58 WeakPolarHBondContact O-CB 3.15Å; H55-Y58 PolarHBondContact O-N 2.9Å; W56-Y58 PolarHBondContact O-N 2.64Å; W56-Y58 VanDerWaalsContact O-N 3.17Å; Y58-D60 PolarHBondContact O-N 2.82Å
59	L	43.6	Very low	47.9	Very low	22 Å²	22	77 Å²	77	12%	0.115	37%	0.37	C	S	.	.	S	Bend	trans	-59.9	135.6	166.8	-64.4	168.5	0	0	0	107.7	Y9 L10 W56 V63	Y9-L59 HydrophobicContact CE1-CD2 3.99Å; L10-L59 HydrophobicContact CD2-CD2 3.39Å; W56-L59 HydrophobicContact CB-CD1 3.77Å; W56-L59 HydrophobicContact CB-CG 4.32Å; W56-L59 WeakPolarHBondContact O-CB 2.99Å; W56-L59 WeakPolarHBondContact O-CD1 3.37Å; W56-L59 WeakPolarHBondContact O-CG 3.28Å; W56-L59 PolarHBondContact O-N 3.02Å; L59-V63 HydrophobicContact CB-CB 4.03Å; L59-V63 HydrophobicContact CB-CG1 3.98Å; L59-V63 HydrophobicContact CD1-CG1 4Å; L59-V63 HydrophobicContact CD2-CG1 4.2Å; L59-V63 HydrophobicContact CG-CG1 4.26Å
60	D	47.3	Very low	48.3	Very low	93 Å²	93	73.7 Å²	73.7	50%	0.497	36%	0.357	S	S	.	.			trans	-56.1	148.7	179.3	-167.9	-2.1	0	0	0	109.8	Y58 K62 V63 V64	Y58-D60 PolarHBondContact O-N 2.82Å; D60-K62 PolarHBondContact O-N 2.82Å; D60-V63 HydrophobicContact CB-CG2 4.39Å; D60-V63 WeakPolarHBondContact O-CB 3.45Å; D60-V63 PolarHBondContact O-N 3.48Å; D60-V64 PolarHBondContact O-N 3.46Å
61	G	39.4	Very low	48.8	Very low	41 Å²	41	74.2 Å²	74.2	42%	0.423	36%	0.36	S	S	.	.	H	α-helix	trans	-51	-32.4	177.2	0	0	0	0	0	111.7	V63 V64 E65	G61-V63 VanDerWaalsContact C-N 3.32Å; G61-V63 PolarHBondContact O-N 3.09Å; G61-V64 PolarHBondContact O-N 3.46Å; G61-E65 WeakPolarHBondContact O-CB 3.23Å; G61-E65 VanDerWaalsContact O-CG 3.24Å; G61-E65 WeakPolarHBondContact O-CG 3.34Å; G61-E65 PolarHBondContact O-N 3.32Å
62	K	44.4	Very low	49.1	Very low	109 Å²	109	72.9 Å²	72.9	47%	0.474	34%	0.344	S	S	.	.	H	α-helix	trans	-59.9	-34.7	174.5	-62.3	-172.7	177.6	-172.5	0	114.6	D60 R66	D60-K62 PolarHBondContact O-N 2.82Å; K62-R66 VanDerWaalsContact O-CG 3.22Å; K62-R66 WeakPolarHBondContact O-CG 3.31Å; K62-R66 PolarHBondContact O-N 2.72Å
63	V	47.7	Very low	49.3	Very low	8 Å²	8	63.6 Å²	63.6	5%	0.048	30%	0.302	C	S	.	.	H	α-helix	trans	-74.8	-43.1	-180	174.9	0	0	0	0	110.1	L10 F14 L59 D60 G61 E65 R66 L67	L10-V63 HydrophobicContact CD1-CG2 3.75Å; L10-V63 HydrophobicContact CD2-CG1 4.37Å; L10-V63 HydrophobicContact CD2-CG2 3.51Å; L10-V63 HydrophobicContact CG-CG2 4.25Å; F14-V63 HydrophobicContact CE2-CG1 4.13Å; F14-V63 HydrophobicContact CE2-CG2 4.15Å; F14-V63 HydrophobicContact CZ-CG1 3.88Å; L59-V63 HydrophobicContact CB-CB 4.03Å; L59-V63 HydrophobicContact CB-CG1 3.98Å; L59-V63 HydrophobicContact CD1-CG1 4Å; L59-V63 HydrophobicContact CD2-CG1 4.2Å; L59-V63 HydrophobicContact CG-CG1 4.26Å; D60-V63 HydrophobicContact CB-CG2 4.39Å; D60-V63 WeakPolarHBondContact O-CB 3.45Å; D60-V63 PolarHBondContact O-N 3.48Å; G61-V63 VanDerWaalsContact C-N 3.32Å; G61-V63 PolarHBondContact O-N 3.09Å; V63-E65 VanDerWaalsContact C-N 3.33Å; V63-R66 PolarHBondContact O-N 3.02Å; V63-L67 HydrophobicContact CG1-CD1 4.46Å; V63-L67 WeakPolarHBondContact O-CG 3.4Å; V63-L67 PolarHBondContact O-N 2.93Å
64	V	48.1	Very low	49.3	Very low	60 Å²	60	57.1 Å²	57.1	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-62.8	-43.5	173.5	179.3	0	0	0	0	110.1	D60 G61 R66 L67 D68	D60-V64 PolarHBondContact O-N 3.46Å; G61-V64 PolarHBondContact O-N 3.46Å; V64-R66 VanDerWaalsContact C-N 3.32Å; V64-R66 PolarHBondContact O-N 2.77Å; V64-L67 PolarHBondContact O-N 3.39Å; V64-D68 WeakPolarHBondContact O-CB 3Å; V64-D68 PolarHBondContact O-N 3.17Å
65	E	49.3	Very low	49.7	Very low	105 Å²	105	55 Å²	55	49%	0.491	26%	0.259	S	S	.	.	H	α-helix	trans	-60.3	-39.3	175	-77.3	172.5	174.4	0	0	112.6	G61 V63 Y69	G61-E65 WeakPolarHBondContact O-CB 3.23Å; G61-E65 VanDerWaalsContact O-CG 3.24Å; G61-E65 WeakPolarHBondContact O-CG 3.34Å; G61-E65 PolarHBondContact O-N 3.32Å; V63-E65 VanDerWaalsContact C-N 3.33Å; E65-Y69 VanDerWaalsContact O-CB 3.29Å; E65-Y69 WeakPolarHBondContact O-CB 3.42Å; E65-Y69 PolarHBondContact O-N 3.39Å
66	R	50.5	Low	50.1	Low	29 Å²	29	51.6 Å²	51.6	11%	0.109	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-46.5	173.6	-75.5	171.8	-173.5	-166.6	-3.6	111.7	K62 V63 V64 D68 Y69 I70 T94 T95 V96	K62-R66 VanDerWaalsContact O-CG 3.22Å; K62-R66 WeakPolarHBondContact O-CG 3.31Å; K62-R66 PolarHBondContact O-N 2.72Å; V63-R66 PolarHBondContact O-N 3.02Å; V64-R66 VanDerWaalsContact C-N 3.32Å; V64-R66 PolarHBondContact O-N 2.77Å; R66-D68 VanDerWaalsContact C-N 3.34Å; R66-D68 PolarHBondContact O-N 3.22Å; R66-Y69 WeakPolarHBondContact O-CB 3.45Å; R66-Y69 PolarHBondContact O-N 3.41Å; R66-I70 WeakPolarHBondContact O-CD1 3.31Å; R66-I70 WeakPolarHBondContact O-CG1 3.17Å; R66-I70 PolarHBondContact O-N 2.81Å; R66-T94 VanDerWaalsContact CZ-O 3.31Å; R66-T94 PolarHBondContact NH1-O 3.06Å; R66-T94 PolarHBondContact NH2-O 2.9Å; R66-T95 VanDerWaalsContact NH2-C 3.29Å; R66-T95 PolarHBondContact NH2-O 3.25Å; R66-V96 PolarHBondContact NH2-O 2.84Å
67	L	52.6	Low	50.3	Low	16 Å²	16	48.4 Å²	48.4	8%	0.084	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-43.2	176.9	-72.3	173.4	0	0	0	111.7	L41 V63 V64 I70 S71	L41-L67 HydrophobicContact CB-CD2 4.43Å; L41-L67 HydrophobicContact CD2-CD2 4.03Å; V63-L67 HydrophobicContact CG1-CD1 4.46Å; V63-L67 WeakPolarHBondContact O-CG 3.4Å; V63-L67 PolarHBondContact O-N 2.93Å; V64-L67 PolarHBondContact O-N 3.39Å; L67-I70 PolarHBondContact O-N 3.29Å; L67-S71 WeakPolarHBondContact O-CB 3.28Å; L67-S71 PolarHBondContact O-N 3.17Å
68	D	55.7	Low	50.5	Low	55 Å²	55	43.2 Å²	43.2	29%	0.294	23%	0.226	S	C	.	.	H	α-helix	trans	-58.5	-48.7	173	-85.4	-4.9	0	0	0	110.5	V64 R66 I70 S71 D72 R106	V64-D68 WeakPolarHBondContact O-CB 3Å; V64-D68 PolarHBondContact O-N 3.17Å; R66-D68 VanDerWaalsContact C-N 3.34Å; R66-D68 PolarHBondContact O-N 3.22Å; D68-I70 VanDerWaalsContact C-N 3.3Å; D68-I70 PolarHBondContact O-N 3.24Å; D68-S71 WeakPolarHBondContact O-CB 3.07Å; D68-S71 PolarHBondContact O-N 2.67Å; D68-D72 VanDerWaalsContact O-CB 3.22Å; D68-D72 WeakPolarHBondContact O-CB 3.47Å; D68-D72 PolarHBondContact O-N 3.23Å; D68-R106 IonicContact OD2-CZ 3.59Å; D68-R106 IonicContact OD2-NH1 3.81Å; D68-R106 IonicContact OD2-NH2 3.18Å; D68-R106 PolarHBondContact OD2-NH2 3.42Å
69	Y	53.5	Low	50.8	Low	31 Å²	31	37.4 Å²	37.4	12%	0.122	21%	0.205	C	C	.	.	H	α-helix	trans	-59.5	-40.1	177.8	-175.8	-87.9	0	0	0	112.1	E65 R66 D72 V73 L91	E65-Y69 VanDerWaalsContact O-CB 3.29Å; E65-Y69 WeakPolarHBondContact O-CB 3.42Å; E65-Y69 PolarHBondContact O-N 3.39Å; R66-Y69 WeakPolarHBondContact O-CB 3.45Å; R66-Y69 PolarHBondContact O-N 3.41Å; Y69-D72 VanDerWaalsContact O-CB 3.28Å; Y69-D72 WeakPolarHBondContact O-CB 3.45Å; Y69-D72 PolarHBondContact O-N 3.48Å; Y69-V73 HydrophobicContact CD1-CG2 3.85Å; Y69-V73 HydrophobicContact CE1-CG2 3.35Å; Y69-V73 VanDerWaalsContact O-CG2 3.31Å; Y69-V73 WeakPolarHBondContact O-CG2 3.46Å; Y69-V73 PolarHBondContact O-N 3.22Å; Y69-L91 HydrophobicContact CD1-CD1 3.83Å; Y69-L91 HydrophobicContact CD1-CD2 4.23Å; Y69-L91 HydrophobicContact CE1-CD1 3.24Å; Y69-L91 HydrophobicContact CE1-CD2 4.15Å; Y69-L91 HydrophobicContact CE1-CG 4.3Å
70	I	57.8	Low	51.1	Low	1 Å²	1	44.1 Å²	44.1	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-70.8	-43	178.3	-65.1	153.4	0	0	0	110.7	L41 R66 L67 D68 D72 V73 L74 I88 L92	L41-I70 HydrophobicContact CD1-CG2 3.73Å; R66-I70 WeakPolarHBondContact O-CD1 3.31Å; R66-I70 WeakPolarHBondContact O-CG1 3.17Å; R66-I70 PolarHBondContact O-N 2.81Å; L67-I70 PolarHBondContact O-N 3.29Å; D68-I70 VanDerWaalsContact C-N 3.3Å; D68-I70 PolarHBondContact O-N 3.24Å; I70-D72 PolarHBondContact O-N 2.82Å; I70-V73 PolarHBondContact O-N 3.29Å; I70-L74 HydrophobicContact CG2-CD1 3.82Å; I70-L74 HydrophobicContact CG2-CG 4.18Å; I70-L74 WeakPolarHBondContact O-CB 3.4Å; I70-L74 VanDerWaalsContact O-CG 3.28Å; I70-L74 WeakPolarHBondContact O-CG 3.49Å; I70-L74 PolarHBondContact O-N 2.82Å; I70-I88 HydrophobicContact CG1-CG2 4.2Å; I70-I88 HydrophobicContact CG2-CG2 3.77Å; I70-L92 HydrophobicContact CD1-CD1 4.1Å; I70-L92 HydrophobicContact CD1-CD2 3.13Å; I70-L92 HydrophobicContact CD1-CG 3.34Å; I70-L92 HydrophobicContact CG1-CD2 4.44Å; I70-L92 HydrophobicContact CG1-CG 4.26Å
71	S	56.9	Low	51	Low	10 Å²	10	42.4 Å²	42.4	7%	0.07	24%	0.236	C	C	.	.	H	α-helix	trans	-56.6	-38.7	173	-177.5	0	0	0	0	110.8	R38 L67 D68 E75	R38-S71 PolarHBondContact NE-OG 2.83Å; R38-S71 PolarHBondContact NH2-OG 3.27Å; L67-S71 WeakPolarHBondContact O-CB 3.28Å; L67-S71 PolarHBondContact O-N 3.17Å; D68-S71 WeakPolarHBondContact O-CB 3.07Å; D68-S71 PolarHBondContact O-N 2.67Å; S71-E75 WeakPolarHBondContact O-CG 3.13Å; S71-E75 PolarHBondContact O-N 3.36Å
72	D	53.3	Low	51.4	Low	12 Å²	12	50.2 Å²	50.2	6%	0.064	26%	0.259	C	S	.	.	H	α-helix	trans	-67.3	-44.3	176.6	-89.3	-5.9	0	0	0	112	D68 Y69 I70 E75 L109	D68-D72 VanDerWaalsContact O-CB 3.22Å; D68-D72 WeakPolarHBondContact O-CB 3.47Å; D68-D72 PolarHBondContact O-N 3.23Å; Y69-D72 VanDerWaalsContact O-CB 3.28Å; Y69-D72 WeakPolarHBondContact O-CB 3.45Å; Y69-D72 PolarHBondContact O-N 3.48Å; I70-D72 PolarHBondContact O-N 2.82Å; D72-E75 PolarHBondContact O-N 3.22Å; D72-L109 HydrophobicContact CB-CD1 3.94Å; D72-L109 HydrophobicContact CB-CD2 3.23Å; D72-L109 HydrophobicContact CB-CG 4.17Å
73	V	52.5	Low	51.6	Low	10 Å²	10	46.1 Å²	46.1	6%	0.061	24%	0.243	C	C	.	.	H	α-helix	trans	-69.2	-35.8	176.7	176	0	0	0	0	112.1	Y69 I70 E75 L76 P83 I88 L109	Y69-V73 HydrophobicContact CD1-CG2 3.85Å; Y69-V73 HydrophobicContact CE1-CG2 3.35Å; Y69-V73 VanDerWaalsContact O-CG2 3.31Å; Y69-V73 WeakPolarHBondContact O-CG2 3.46Å; Y69-V73 PolarHBondContact O-N 3.22Å; I70-V73 PolarHBondContact O-N 3.29Å; V73-E75 PolarHBondContact O-N 2.81Å; V73-L76 HydrophobicContact CB-CD1 4.39Å; V73-L76 HydrophobicContact CG1-CD1 3.96Å; V73-L76 HydrophobicContact CG2-CD1 4.48Å; V73-L76 WeakPolarHBondContact O-CB 3.37Å; V73-L76 VanDerWaalsContact O-CG 3.28Å; V73-L76 WeakPolarHBondContact O-CG 3.44Å; V73-L76 PolarHBondContact O-N 3.42Å; V73-P83 HydrophobicContact CG1-CB 3.61Å; V73-I88 HydrophobicContact CB-CD1 4.26Å; V73-I88 HydrophobicContact CB-CG1 4.33Å; V73-I88 HydrophobicContact CG1-CD1 3.43Å; V73-I88 VanDerWaalsContact CG1-CD1 3.43Å; V73-I88 HydrophobicContact CG1-CG1 3.52Å; V73-L109 HydrophobicContact CG2-CD1 4.33Å
74	L	55.6	Low	51.7	Low	8 Å²	8	50.5 Å²	50.5	4%	0.042	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-13.5	174.7	-70.1	173.2	0	0	0	112.8	F25 I34 T37 L41 I70 P77 I88	F25-L74 HydrophobicContact CD1-CD2 4.37Å; F25-L74 HydrophobicContact CE1-CD1 4.22Å; F25-L74 HydrophobicContact CE1-CD2 3.9Å; I34-L74 HydrophobicContact CG2-CB 3.75Å; I34-L74 HydrophobicContact CG2-CD2 3.85Å; I34-L74 HydrophobicContact CG2-CG 4.32Å; I34-L74 WeakPolarHBondContact CG2-O 3.3Å; T37-L74 HydrophobicContact CG2-CD1 4.27Å; L41-L74 HydrophobicContact CD1-CD1 3.91Å; I70-L74 HydrophobicContact CG2-CD1 3.82Å; I70-L74 HydrophobicContact CG2-CG 4.18Å; I70-L74 WeakPolarHBondContact O-CB 3.4Å; I70-L74 VanDerWaalsContact O-CG 3.28Å; I70-L74 WeakPolarHBondContact O-CG 3.49Å; I70-L74 PolarHBondContact O-N 2.82Å; L74-P77 VanDerWaalsContact O-CD 3.29Å; L74-P77 WeakPolarHBondContact O-CD 3.43Å; L74-I88 HydrophobicContact CD2-CD1 3.96Å; L74-I88 HydrophobicContact CG-CD1 4.45Å
75	E	57.3	Low	51.7	Low	29 Å²	29	49.5 Å²	49.5	14%	0.136	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-16.3	168.5	-74.4	-178.6	-176.7	0	0	112.7	R38 S71 D72 V73 P77 S78 K113	R38-E75 IonicContact CZ-OE1 2.78Å; R38-E75 IonicContact NH1-OE1 2.67Å; R38-E75 PolarHBondContact NH1-OE1 2.58Å; R38-E75 IonicContact NH2-OE1 2.75Å; R38-E75 PolarHBondContact NH2-OE1 2.95Å; S71-E75 WeakPolarHBondContact O-CG 3.13Å; S71-E75 PolarHBondContact O-N 3.36Å; D72-E75 PolarHBondContact O-N 3.22Å; V73-E75 PolarHBondContact O-N 2.81Å; E75-P77 VanDerWaalsContact C-CD 3.42Å; E75-S78 WeakPolarHBondContact O-CB 3.23Å; E75-S78 PolarHBondContact O-N 2.85Å; E75-S78 PolarHBondContact O-OG 2.95Å; E75-K113 VanDerWaalsContact CD-NZ 3.26Å; E75-K113 IonicContact OE1-NZ 3.67Å; E75-K113 PolarHBondContact OE1-NZ 2.81Å; E75-K113 VanDerWaalsContact OE2-CD 3.23Å; E75-K113 WeakPolarHBondContact OE2-CD 3.38Å; E75-K113 WeakPolarHBondContact OE2-CE 3.36Å; E75-K113 IonicContact OE2-NZ 3.03Å; E75-K113 PolarHBondContact OE2-NZ 3.4Å
76	L	51.6	Low	51.7	Low	15 Å²	15	50.1 Å²	50.1	8%	0.079	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-57.2	-36.5	178	-63	179.9	0	0	0	115.6	V73 S78 L79 C81 P83 L109	V73-L76 HydrophobicContact CB-CD1 4.39Å; V73-L76 HydrophobicContact CG1-CD1 3.96Å; V73-L76 HydrophobicContact CG2-CD1 4.48Å; V73-L76 WeakPolarHBondContact O-CB 3.37Å; V73-L76 VanDerWaalsContact O-CG 3.28Å; V73-L76 WeakPolarHBondContact O-CG 3.44Å; V73-L76 PolarHBondContact O-N 3.42Å; L76-S78 PolarHBondContact O-N 3.33Å; L76-L79 HydrophobicContact CD2-CD1 3.68Å; L76-L79 CarbonylContact O-C 3.53Å; L76-L79 VanDerWaalsContact O-CA 3.3Å; L76-L79 WeakPolarHBondContact O-CA 3.37Å; L76-L79 WeakPolarHBondContact O-CB 3.3Å; L76-L79 PolarHBondContact O-N 3.32Å; L76-C81 CarbonylContact C-O 3.22Å; L76-C81 VanDerWaalsContact C-O 3.22Å; L76-C81 HydrophobicContact CB-CB 3.93Å; L76-C81 WeakPolarHBondContact O-CB 3.28Å; L76-C81 PolarHBondContact O-N 3.39Å; L76-C81 VanDerWaalsContact O-N 3.1Å; L76-P83 HydrophobicContact CB-CB 4.45Å; L76-P83 HydrophobicContact CD1-CB 4.4Å; L76-L109 HydrophobicContact CD2-CD1 4.12Å; L76-L109 HydrophobicContact CD2-CG 4.46Å; L76-L109 HydrophobicContact CG-CD1 4.46Å
77	P	49.2	Very low	51.6	Low	22 Å²	22	52.1 Å²	52.1	14%	0.143	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-54.1	-35.3	171.1	-24.1	29.5	0	0	0	113.7	L31 I34 L74 E75 L79 N80 C81 P83	L31-P77 HydrophobicContact CD2-CB 3.84Å; I34-P77 HydrophobicContact CD1-CB 3.54Å; I34-P77 HydrophobicContact CD1-CG 3.31Å; I34-P77 HydrophobicContact CG2-CG 4.38Å; L74-P77 VanDerWaalsContact O-CD 3.29Å; L74-P77 WeakPolarHBondContact O-CD 3.43Å; E75-P77 VanDerWaalsContact C-CD 3.42Å; P77-L79 PolarHBondContact O-N 3.28Å; P77-N80 PolarHBondContact O-N 3.45Å; P77-C81 VanDerWaalsContact CA-O 3.23Å; P77-C81 WeakPolarHBondContact CA-O 3.31Å; P77-P83 HydrophobicContact CG-CG 3.73Å
78	S	51.1	Low	51.5	Low	69 Å²	69	51.5 Å²	51.5	48%	0.483	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-68.7	-12.9	174.5	76.4	0	0	0	0	113.1	E75 L76	E75-S78 WeakPolarHBondContact O-CB 3.23Å; E75-S78 PolarHBondContact O-N 2.85Å; E75-S78 PolarHBondContact O-OG 2.95Å; L76-S78 PolarHBondContact O-N 3.33Å
79	L	50.5	Low	51.1	Low	40 Å²	40	49.8 Å²	49.8	21%	0.209	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-99.5	12.6	176.6	-44.2	179	0	0	0	112.7	L76 P77 C81 M112 S116	L76-L79 HydrophobicContact CD2-CD1 3.68Å; L76-L79 CarbonylContact O-C 3.53Å; L76-L79 VanDerWaalsContact O-CA 3.3Å; L76-L79 WeakPolarHBondContact O-CA 3.37Å; L76-L79 WeakPolarHBondContact O-CB 3.3Å; L76-L79 PolarHBondContact O-N 3.32Å; P77-L79 PolarHBondContact O-N 3.28Å; L79-C81 PolarHBondContact O-N 2.91Å; L79-M112 HydrophobicContact CD1-CB 4.03Å; L79-S116 VanDerWaalsContact CD2-OG 3.31Å; L79-S116 WeakPolarHBondContact CD2-OG 3.39Å
80	N	49.8	Very low	50.8	Low	163 Å²	163	51 Å²	51	87%	0.872	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	16.1	-168.8	-67.9	-30.3	0	0	0	114.7	P77	P77-N80 PolarHBondContact O-N 3.45Å
81	C	44.6	Very low	50.3	Low	58 Å²	58	51.3 Å²	51.3	39%	0.392	27%	0.265	S	S	.	.			trans	-94.4	123.7	172.1	-66.7	0	0	0	0	108.9	L76 P77 L79 P83	L76-C81 CarbonylContact C-O 3.22Å; L76-C81 VanDerWaalsContact C-O 3.22Å; L76-C81 HydrophobicContact CB-CB 3.93Å; L76-C81 WeakPolarHBondContact O-CB 3.28Å; L76-C81 PolarHBondContact O-N 3.39Å; L76-C81 VanDerWaalsContact O-N 3.1Å; P77-C81 VanDerWaalsContact CA-O 3.23Å; P77-C81 WeakPolarHBondContact CA-O 3.31Å; L79-C81 PolarHBondContact O-N 2.91Å; C81-P83 WeakPolarHBondContact O-CD 2.89Å
82	K	48.4	Very low	49.8	Very low	205 Å²	205	51 Å²	51	89%	0.891	26%	0.262	S	S	*	.			trans	-75.4	108.1	167.9	-71.4	-178	-179.6	177.9	0	108
83	P	48.2	Very low	49.3	Very low	23 Å²	23	53 Å²	53	15%	0.149	28%	0.275	C	S	.	.			trans	-67.1	144	176.2	31.1	-35.7	0	0	0	109.1	V73 L76 P77 C81 L85 I88	V73-P83 HydrophobicContact CG1-CB 3.61Å; L76-P83 HydrophobicContact CB-CB 4.45Å; L76-P83 HydrophobicContact CD1-CB 4.4Å; P77-P83 HydrophobicContact CG-CG 3.73Å; C81-P83 WeakPolarHBondContact O-CD 2.89Å; P83-L85 PolarHBondContact O-N 3.47Å; P83-I88 HydrophobicContact CB-CD1 4.12Å; P83-I88 HydrophobicContact CG-CD1 4.47Å
84	N	49.3	Very low	49	Very low	100 Å²	100	54.4 Å²	54.4	54%	0.535	28%	0.284	S	S	.	.			trans	-75.5	96.6	173.2	-174.3	-24.1	0	0	0	108.7	K86 R87 I88	N84-K86 VanDerWaalsContact C-N 3.27Å; N84-K86 PolarHBondContact O-N 3.11Å; N84-K86 WeakPolarHBondContact OD1-CB 3.48Å; N84-K86 PolarHBondContact OD1-N 3.38Å; N84-R87 HydrophobicContact CB-CB 3.99Å; N84-R87 WeakPolarHBondContact O-CA 3.45Å; N84-R87 WeakPolarHBondContact O-CB 3.44Å; N84-R87 PolarHBondContact O-N 2.91Å; N84-R87 PolarHBondContact OD1-N 3.28Å; N84-I88 PolarHBondContact O-N 3.47Å
85	L	47.8	Very low	48.2	Very low	39 Å²	39	59.2 Å²	59.2	20%	0.204	31%	0.314	C	S	.	.	H	α-helix	trans	-59	-35.7	-178.2	-70.2	158.1	0	0	0	112.8	F25 E28 P83 R87 I88 I89	F25-L85 HydrophobicContact CB-CD2 4.13Å; F25-L85 HydrophobicContact CD1-CD2 3.81Å; F25-L85 HydrophobicContact CG-CD2 4.43Å; F25-L85 WeakPolarHBondContact O-CD1 3.49Å; E28-L85 WeakPolarHBondContact OE2-CD2 3.29Å; P83-L85 PolarHBondContact O-N 3.47Å; L85-R87 VanDerWaalsContact C-N 3.27Å; L85-R87 PolarHBondContact O-N 3Å; L85-I88 HydrophobicContact CD2-CD1 4.17Å; L85-I88 PolarHBondContact O-N 2.63Å; L85-I89 WeakPolarHBondContact O-CG1 3.44Å; L85-I89 PolarHBondContact O-N 3.02Å
86	K	49.5	Very low	47.1	Very low	118 Å²	118	60.8 Å²	60.8	51%	0.513	33%	0.325	S	S	.	.	H	α-helix	trans	-57.3	-45	173	-175.4	-176.3	175	-170.7	0	109.9	N84 I88 I89 D90	N84-K86 VanDerWaalsContact C-N 3.27Å; N84-K86 PolarHBondContact O-N 3.11Å; N84-K86 WeakPolarHBondContact OD1-CB 3.48Å; N84-K86 PolarHBondContact OD1-N 3.38Å; K86-I88 PolarHBondContact O-N 2.83Å; K86-I89 PolarHBondContact O-N 3.38Å; K86-D90 PolarHBondContact O-N 3.04Å
87	R	48.9	Very low	46.5	Very low	70 Å²	70	65 Å²	65	26%	0.264	34%	0.344	S	S	.	.	H	α-helix	trans	-66.8	-35.6	177.3	-169.1	168.9	170.8	-168.3	-8.6	113.2	N84 L85 I89 D90 L91 L101 G102	N84-R87 HydrophobicContact CB-CB 3.99Å; N84-R87 WeakPolarHBondContact O-CA 3.45Å; N84-R87 WeakPolarHBondContact O-CB 3.44Å; N84-R87 PolarHBondContact O-N 2.91Å; N84-R87 PolarHBondContact OD1-N 3.28Å; L85-R87 VanDerWaalsContact C-N 3.27Å; L85-R87 PolarHBondContact O-N 3Å; R87-I89 VanDerWaalsContact C-N 3.35Å; R87-D90 PolarHBondContact O-N 2.82Å; R87-L91 HydrophobicContact CG-CD1 4.32Å; R87-L91 WeakPolarHBondContact O-CB 3.3Å; R87-L91 WeakPolarHBondContact O-CD1 3.17Å; R87-L91 PolarHBondContact O-N 3.45Å; R87-L101 PolarHBondContact NE-O 2.77Å; R87-L101 PolarHBondContact NH2-O 2.94Å; R87-G102 PolarHBondContact NH2-O 3.37Å
88	I	50.3	Low	46	Very low	3 Å²	3	65.5 Å²	65.5	2%	0.015	35%	0.348	C	S	.	.	H	α-helix	trans	-62	-45.8	172.4	-61.1	179.4	0	0	0	110.3	F25 I70 V73 L74 P83 N84 L85 K86 D90 L91 L92	F25-I88 HydrophobicContact CE1-CG2 3.88Å; F25-I88 HydrophobicContact CZ-CG2 3.97Å; I70-I88 HydrophobicContact CG1-CG2 4.2Å; I70-I88 HydrophobicContact CG2-CG2 3.77Å; V73-I88 HydrophobicContact CB-CD1 4.26Å; V73-I88 HydrophobicContact CB-CG1 4.33Å; V73-I88 HydrophobicContact CG1-CD1 3.43Å; V73-I88 VanDerWaalsContact CG1-CD1 3.43Å; V73-I88 HydrophobicContact CG1-CG1 3.52Å; L74-I88 HydrophobicContact CD2-CD1 3.96Å; L74-I88 HydrophobicContact CG-CD1 4.45Å; P83-I88 HydrophobicContact CB-CD1 4.12Å; P83-I88 HydrophobicContact CG-CD1 4.47Å; N84-I88 PolarHBondContact O-N 3.47Å; L85-I88 HydrophobicContact CD2-CD1 4.17Å; L85-I88 PolarHBondContact O-N 2.63Å; K86-I88 PolarHBondContact O-N 2.83Å; I88-D90 VanDerWaalsContact C-N 3.34Å; I88-L91 WeakPolarHBondContact O-CB 3.05Å; I88-L91 PolarHBondContact O-N 3.32Å; I88-L92 HydrophobicContact CG2-CD1 4.24Å; I88-L92 PolarHBondContact O-N 3.02Å
89	I	46.1	Very low	45.6	Very low	20 Å²	20	68 Å²	68	10%	0.103	35%	0.352	C	S	.	.	H	α-helix	trans	-64.8	-40.3	177.2	-66.4	166.5	0	0	0	110.4	F25 M26 L85 K86 R87 L92 T93	F25-I89 HydrophobicContact CB-CD1 3.91Å; F25-I89 HydrophobicContact CB-CG1 4.24Å; F25-I89 HydrophobicContact CD2-CD1 4.32Å; F25-I89 HydrophobicContact CD2-CG1 3.85Å; F25-I89 HydrophobicContact CE2-CG1 4.48Å; F25-I89 HydrophobicContact CG-CD1 4.4Å; F25-I89 HydrophobicContact CG-CG1 4.19Å; M26-I89 HydrophobicContact CE-CD1 3.29Å; L85-I89 WeakPolarHBondContact O-CG1 3.44Å; L85-I89 PolarHBondContact O-N 3.02Å; K86-I89 PolarHBondContact O-N 3.38Å; R87-I89 VanDerWaalsContact C-N 3.35Å; I89-L92 WeakPolarHBondContact O-CB 3.46Å; I89-L92 PolarHBondContact O-N 3.43Å; I89-T93 HydrophobicContact CG2-CG2 4.12Å; I89-T93 WeakPolarHBondContact O-CB 3.22Å; I89-T93 VanDerWaalsContact O-CG2 3.31Å; I89-T93 WeakPolarHBondContact O-CG2 3.22Å; I89-T93 PolarHBondContact O-N 2.88Å; I89-T93 PolarHBondContact O-OG1 3.32Å
90	D	47.4	Very low	44.8	Very low	56 Å²	56	71 Å²	71	30%	0.299	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-41.3	174.8	-64.3	-24.6	0	0	0	110.6	K86 R87 I88 L92 T93 T94 L101	K86-D90 PolarHBondContact O-N 3.04Å; R87-D90 PolarHBondContact O-N 2.82Å; I88-D90 VanDerWaalsContact C-N 3.34Å; D90-L92 VanDerWaalsContact C-N 3.3Å; D90-L92 PolarHBondContact O-N 3.39Å; D90-T93 WeakPolarHBondContact CA-OG1 3.29Å; D90-T93 PolarHBondContact O-N 2.97Å; D90-T93 PolarHBondContact O-OG1 3.32Å; D90-T94 WeakPolarHBondContact O-CA 3.17Å; D90-T94 WeakPolarHBondContact O-CB 3.42Å; D90-T94 WeakPolarHBondContact O-CG2 2.9Å; D90-T94 PolarHBondContact O-N 3.42Å; D90-T94 PolarHBondContact O-OG1 3.03Å; D90-L101 HydrophobicContact CB-CD1 4.43Å
91	L	48.3	Very low	44.1	Very low	7 Å²	7	65.3 Å²	65.3	4%	0.037	34%	0.341	C	S	.	.	H	α-helix	trans	-62.9	-34.9	173.9	-88.1	149.5	0	0	0	113.2	Y69 R87 I88 P98 L101	Y69-L91 HydrophobicContact CD1-CD1 3.83Å; Y69-L91 HydrophobicContact CD1-CD2 4.23Å; Y69-L91 HydrophobicContact CE1-CD1 3.24Å; Y69-L91 HydrophobicContact CE1-CD2 4.15Å; Y69-L91 HydrophobicContact CE1-CG 4.3Å; R87-L91 HydrophobicContact CG-CD1 4.32Å; R87-L91 WeakPolarHBondContact O-CB 3.3Å; R87-L91 WeakPolarHBondContact O-CD1 3.17Å; R87-L91 PolarHBondContact O-N 3.45Å; I88-L91 WeakPolarHBondContact O-CB 3.05Å; I88-L91 PolarHBondContact O-N 3.32Å; L91-P98 HydrophobicContact CD2-CB 3.94Å; L91-L101 HydrophobicContact CB-CD1 4.32Å; L91-L101 HydrophobicContact CD2-CB 4.23Å; L91-L101 HydrophobicContact CD2-CD1 3.96Å; L91-L101 HydrophobicContact CG-CB 4.25Å; L91-L101 HydrophobicContact CG-CD1 3.66Å
92	L	47.2	Very low	43.9	Very low	3 Å²	3	63.4 Å²	63.4	2%	0.016	33%	0.331	C	S	.	.	H	α-helix	trans	-70.8	-44.8	175.2	-84.4	167.6	0	0	0	112	F14 F25 I70 I88 I89 D90	F14-L92 HydrophobicContact CD1-CD2 4.11Å; F14-L92 WeakPolarHBondContact CD1-O 3.47Å; F14-L92 HydrophobicContact CE1-CD2 3.82Å; F14-L92 WeakPolarHBondContact CG-O 3.19Å; F25-L92 HydrophobicContact CE2-CD1 3.47Å; F25-L92 VanDerWaalsContact CE2-CD1 3.47Å; F25-L92 HydrophobicContact CZ-CD1 3.66Å; I70-L92 HydrophobicContact CD1-CD1 4.1Å; I70-L92 HydrophobicContact CD1-CD2 3.13Å; I70-L92 HydrophobicContact CD1-CG 3.34Å; I70-L92 HydrophobicContact CG1-CD2 4.44Å; I70-L92 HydrophobicContact CG1-CG 4.26Å; I88-L92 HydrophobicContact CG2-CD1 4.24Å; I88-L92 PolarHBondContact O-N 3.02Å; I89-L92 WeakPolarHBondContact O-CB 3.46Å; I89-L92 PolarHBondContact O-N 3.43Å; D90-L92 VanDerWaalsContact C-N 3.3Å; D90-L92 PolarHBondContact O-N 3.39Å
93	T	42.3	Very low	43.4	Very low	56 Å²	56	58.4 Å²	58.4	34%	0.344	32%	0.319	S	S	.	.	H	α-helix	trans	-86.2	-27.1	-173	53.7	0	0	0	0	113.3	S18 I89 D90 T95	S18-T93 WeakPolarHBondContact OG-CG2 3.18Å; I89-T93 HydrophobicContact CG2-CG2 4.12Å; I89-T93 WeakPolarHBondContact O-CB 3.22Å; I89-T93 VanDerWaalsContact O-CG2 3.31Å; I89-T93 WeakPolarHBondContact O-CG2 3.22Å; I89-T93 PolarHBondContact O-N 2.88Å; I89-T93 PolarHBondContact O-OG1 3.32Å; D90-T93 WeakPolarHBondContact CA-OG1 3.29Å; D90-T93 PolarHBondContact O-N 2.97Å; D90-T93 PolarHBondContact O-OG1 3.32Å; T93-T95 PolarHBondContact O-N 3.01Å
94	T	45.6	Very low	43.2	Very low	39 Å²	39	59.8 Å²	59.8	24%	0.239	33%	0.325	C	S	.	.			trans	-75.1	130.1	-179.2	57.9	0	0	0	0	110.5	R66 D90 V96 L101	R66-T94 VanDerWaalsContact CZ-O 3.31Å; R66-T94 PolarHBondContact NH1-O 3.06Å; R66-T94 PolarHBondContact NH2-O 2.9Å; D90-T94 WeakPolarHBondContact O-CA 3.17Å; D90-T94 WeakPolarHBondContact O-CB 3.42Å; D90-T94 WeakPolarHBondContact O-CG2 2.9Å; D90-T94 PolarHBondContact O-N 3.42Å; D90-T94 PolarHBondContact O-OG1 3.03Å; T94-V96 PolarHBondContact O-N 3.23Å; T94-L101 HydrophobicContact CG2-CD1 4.38Å; T94-L101 WeakPolarHBondContact OG1-CD1 3.08Å
95	T	38.8	Very low	43	Very low	109 Å²	109	57.8 Å²	57.8	67%	0.669	32%	0.319	S	S	*	.			trans	-68.6	-7.3	164.8	52.5	0	0	0	0	111.9	R66 T93	R66-T95 VanDerWaalsContact NH2-C 3.29Å; R66-T95 PolarHBondContact NH2-O 3.25Å; T93-T95 PolarHBondContact O-N 3.01Å
96	V	33.9	Very low	43	Very low	62 Å²	62	61.2 Å²	61.2	38%	0.376	33%	0.329	S	S	.	.	S	Bend	trans	-73.3	145.8	-176.9	-167.8	0	0	0	0	111	R66 T94 V100	R66-V96 PolarHBondContact NH2-O 2.84Å; T94-V96 PolarHBondContact O-N 3.23Å; V96-V100 HydrophobicContact CG1-CB 3.43Å; V96-V100 VanDerWaalsContact CG1-CB 3.43Å; V96-V100 HydrophobicContact CG1-CG1 3.76Å; V96-V100 HydrophobicContact CG1-CG2 3.4Å
97	Q	38.5	Very low	42.9	Very low	102 Å²	102	61.6 Å²	61.6	48%	0.477	33%	0.332	S	S	.	.			trans	-64.1	142.2	179.7	-41.5	-171	-24.6	0	0	110.4	E99 V100	Q97-E99 WeakPolarHBondContact CB-OE2 3.48Å; Q97-E99 PolarHBondContact O-N 3.2Å; Q97-V100 PolarHBondContact O-N 3.39Å
98	P	40.4	Very low	43	Very low	34 Å²	34	61 Å²	61	22%	0.221	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-22.8	-179.2	21.4	-32.3	0	0	0	113.8	L91 V100 L101	L91-P98 HydrophobicContact CD2-CB 3.94Å; P98-V100 PolarHBondContact O-N 3.02Å; P98-L101 PolarHBondContact O-N 3.24Å
99	E	41.5	Very low	43	Very low	122 Å²	122	61.1 Å²	61.1	57%	0.57	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-32	174.4	-64.5	79.1	-177.3	0	0	112.9	Q97	Q97-E99 WeakPolarHBondContact CB-OE2 3.48Å; Q97-E99 PolarHBondContact O-N 3.2Å
100	V	34.4	Very low	43.2	Very low	101 Å²	101	64.2 Å²	64.2	61%	0.612	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-26.9	-176.6	-175.1	0	0	0	0	111.9	V96 Q97 P98 G102	V96-V100 HydrophobicContact CG1-CB 3.43Å; V96-V100 VanDerWaalsContact CG1-CB 3.43Å; V96-V100 HydrophobicContact CG1-CG1 3.76Å; V96-V100 HydrophobicContact CG1-CG2 3.4Å; Q97-V100 PolarHBondContact O-N 3.39Å; P98-V100 PolarHBondContact O-N 3.02Å; V100-G102 PolarHBondContact O-N 3.49Å; V100-G102 VanDerWaalsContact O-N 3.14Å
101	L	34.6	Very low	43.5	Very low	45 Å²	45	65.4 Å²	65.4	24%	0.236	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	22.5	-178.8	-80.3	164.2	0	0	0	113.1	R87 D90 L91 T94 P98	R87-L101 PolarHBondContact NE-O 2.77Å; R87-L101 PolarHBondContact NH2-O 2.94Å; D90-L101 HydrophobicContact CB-CD1 4.43Å; L91-L101 HydrophobicContact CB-CD1 4.32Å; L91-L101 HydrophobicContact CD2-CB 4.23Å; L91-L101 HydrophobicContact CD2-CD1 3.96Å; L91-L101 HydrophobicContact CG-CB 4.25Å; L91-L101 HydrophobicContact CG-CD1 3.66Å; T94-L101 HydrophobicContact CG2-CD1 4.38Å; T94-L101 WeakPolarHBondContact OG1-CD1 3.08Å; P98-L101 PolarHBondContact O-N 3.24Å
102	G	41.2	Very low	43.5	Very low	17 Å²	17	68.2 Å²	68.2	18%	0.175	36%	0.362	C	S	.	.			trans	85.6	125.8	174.2	0	0	0	0	0	112.3	R87 V100 I104	R87-G102 PolarHBondContact NH2-O 3.37Å; V100-G102 PolarHBondContact O-N 3.49Å; V100-G102 VanDerWaalsContact O-N 3.14Å; G102-I104 PolarHBondContact O-N 3.26Å
103	P	37.5	Very low	43.6	Very low	101 Å²	101	71 Å²	71	66%	0.656	38%	0.375	S	S	*	.			trans	-76.2	100.1	-169.4	30.4	-34.6	0	0	0	111.1
104	I	43.3	Very low	44	Very low	51 Å²	51	77.4 Å²	77.4	26%	0.262	39%	0.392	S	S	.	.			trans	-87.4	102.1	136.8	-58.8	177.7	0	0	0	104	G102 R106 K108 L109	G102-I104 PolarHBondContact O-N 3.26Å; I104-R106 PolarHBondContact O-N 2.97Å; I104-K108 HydrophobicContact CG2-CB 4.47Å; I104-L109 HydrophobicContact CG2-CB 3.91Å; I104-L109 HydrophobicContact CG2-CD1 4.21Å
105	S	46.3	Very low	44.3	Very low	58 Å²	58	80.3 Å²	80.3	41%	0.406	40%	0.402	S	S	.	.			trans	-59.7	139.7	175.3	71.1	0	0	0	0	108.5	H107 K108 L109	S105-H107 PolarHBondContact O-N 3.33Å; S105-K108 WeakPolarHBondContact O-CA 3.33Å; S105-K108 WeakPolarHBondContact O-CB 3.34Å; S105-K108 PolarHBondContact O-N 2.77Å; S105-K108 WeakPolarHBondContact OG-CB 3.49Å; S105-K108 PolarHBondContact OG-N 2.96Å; S105-L109 PolarHBondContact O-N 3.5Å
106	R	46.8	Very low	44.5	Very low	112 Å²	112	77.1 Å²	77.1	42%	0.423	38%	0.384	S	S	.	.	H	α-helix	trans	-48.6	-36.4	174	-166.1	-176.9	-177	170.5	4.1	111	D68 I104 L109 F110	D68-R106 IonicContact OD2-CZ 3.59Å; D68-R106 IonicContact OD2-NH1 3.81Å; D68-R106 IonicContact OD2-NH2 3.18Å; D68-R106 PolarHBondContact OD2-NH2 3.42Å; I104-R106 PolarHBondContact O-N 2.97Å; R106-L109 PolarHBondContact O-N 3.3Å; R106-F110 HydrophobicContact CG-CD2 3.79Å; R106-F110 HydrophobicContact CG-CE2 3.57Å; R106-F110 WeakPolarHBondContact O-CB 3.24Å; R106-F110 WeakPolarHBondContact O-CD2 3.4Å; R106-F110 PolarHBondContact O-N 3.38Å
107	H	47.5	Very low	44.7	Very low	126 Å²	126	79.8 Å²	79.8	58%	0.583	40%	0.395	S	S	*	.	H	α-helix	trans	-60.5	-47.8	172.9	-172.2	75.4	0	0	0	113.4	S105 L109 F110 Q111	S105-H107 PolarHBondContact O-N 3.33Å; H107-L109 VanDerWaalsContact C-N 3.29Å; H107-L109 PolarHBondContact O-N 3.3Å; H107-F110 PolarHBondContact O-N 3.25Å; H107-Q111 PolarHBondContact CD2-NE2 2.86Å; H107-Q111 PolarHBondContact NE2-NE2 2.78Å; H107-Q111 WeakPolarHBondContact O-CG 3.48Å; H107-Q111 PolarHBondContact O-N 2.85Å
108	K	51.1	Low	44.5	Very low	58 Å²	58	81 Å²	81	25%	0.252	40%	0.4	S	S	.	.	H	α-helix	trans	-62.4	-38.4	177	-168.1	159.5	-168.7	154.3	0	111.2	I104 S105 Q111 M112 E178	I104-K108 HydrophobicContact CG2-CB 4.47Å; S105-K108 WeakPolarHBondContact O-CA 3.33Å; S105-K108 WeakPolarHBondContact O-CB 3.34Å; S105-K108 PolarHBondContact O-N 2.77Å; S105-K108 WeakPolarHBondContact OG-CB 3.49Å; S105-K108 PolarHBondContact OG-N 2.96Å; K108-Q111 WeakPolarHBondContact O-CB 3.26Å; K108-Q111 PolarHBondContact O-N 3.03Å; K108-M112 HydrophobicContact CG-CE 4.45Å; K108-M112 WeakPolarHBondContact O-CG 3.37Å; K108-M112 PolarHBondContact O-N 3.28Å; K108-E178 IonicContact NZ-OE1 2.77Å; K108-E178 PolarHBondContact NZ-OE1 3.06Å
109	L	50.7	Low	44.1	Very low	4 Å²	4	82.8 Å²	82.8	2%	0.021	41%	0.413	C	S	.	.	H	α-helix	trans	-70.1	-42.1	176.1	-164.8	140.9	0	0	0	112.4	D72 V73 L76 I104 S105 R106 H107 Q111 M112 K113	D72-L109 HydrophobicContact CB-CD1 3.94Å; D72-L109 HydrophobicContact CB-CD2 3.23Å; D72-L109 HydrophobicContact CB-CG 4.17Å; V73-L109 HydrophobicContact CG2-CD1 4.33Å; L76-L109 HydrophobicContact CD2-CD1 4.12Å; L76-L109 HydrophobicContact CD2-CG 4.46Å; L76-L109 HydrophobicContact CG-CD1 4.46Å; I104-L109 HydrophobicContact CG2-CB 3.91Å; I104-L109 HydrophobicContact CG2-CD1 4.21Å; S105-L109 PolarHBondContact O-N 3.5Å; R106-L109 PolarHBondContact O-N 3.3Å; H107-L109 VanDerWaalsContact C-N 3.29Å; H107-L109 PolarHBondContact O-N 3.3Å; L109-Q111 VanDerWaalsContact C-N 3.29Å; L109-Q111 PolarHBondContact O-N 2.62Å; L109-M112 WeakPolarHBondContact O-CB 3.42Å; L109-M112 PolarHBondContact O-N 2.94Å; L109-M112 VanDerWaalsContact O-N 3.11Å; L109-K113 PolarHBondContact O-N 3.27Å
110	F	50.2	Low	43.5	Very low	86 Å²	86	80.1 Å²	80.1	38%	0.377	42%	0.418	S	S	.	.	H	α-helix	trans	-59.2	-39.7	171.4	-87.9	-59.4	0	0	0	112.5	R106 H107 K113 R114	R106-F110 HydrophobicContact CG-CD2 3.79Å; R106-F110 HydrophobicContact CG-CE2 3.57Å; R106-F110 WeakPolarHBondContact O-CB 3.24Å; R106-F110 WeakPolarHBondContact O-CD2 3.4Å; R106-F110 PolarHBondContact O-N 3.38Å; H107-F110 PolarHBondContact O-N 3.25Å; F110-K113 PolarHBondContact O-N 2.88Å; F110-R114 PolarHBondContact O-N 3.23Å
111	Q	53	Low	43.7	Very low	80 Å²	80	84.4 Å²	84.4	37%	0.374	43%	0.429	S	S	.	.	H	α-helix	trans	-61.5	-44.8	173.4	-74.6	-167.5	35.9	0	0	111.3	H107 K108 L109 K113 R114 K115	H107-Q111 PolarHBondContact CD2-NE2 2.86Å; H107-Q111 PolarHBondContact NE2-NE2 2.78Å; H107-Q111 WeakPolarHBondContact O-CG 3.48Å; H107-Q111 PolarHBondContact O-N 2.85Å; K108-Q111 WeakPolarHBondContact O-CB 3.26Å; K108-Q111 PolarHBondContact O-N 3.03Å; L109-Q111 VanDerWaalsContact C-N 3.29Å; L109-Q111 PolarHBondContact O-N 2.62Å; Q111-K113 PolarHBondContact O-N 3.37Å; Q111-R114 PolarHBondContact O-N 2.94Å; Q111-K115 WeakPolarHBondContact O-CB 3.04Å; Q111-K115 WeakPolarHBondContact O-CG 3.47Å; Q111-K115 PolarHBondContact O-N 3.23Å
112	M	48	Very low	43.7	Very low	66 Å²	66	87.1 Å²	87.1	33%	0.325	45%	0.447	S	S	.	.	H	α-helix	trans	-60	-43.6	176.3	-71.3	174.9	166.9	0	0	112	L79 K108 L109 K115 S116	L79-M112 HydrophobicContact CD1-CB 4.03Å; K108-M112 HydrophobicContact CG-CE 4.45Å; K108-M112 WeakPolarHBondContact O-CG 3.37Å; K108-M112 PolarHBondContact O-N 3.28Å; L109-M112 WeakPolarHBondContact O-CB 3.42Å; L109-M112 PolarHBondContact O-N 2.94Å; L109-M112 VanDerWaalsContact O-N 3.11Å; M112-K115 PolarHBondContact O-N 2.85Å; M112-S116 PolarHBondContact O-N 2.87Å
113	K	50.1	Low	43.2	Very low	62 Å²	62	93.5 Å²	93.5	27%	0.27	47%	0.472	S	S	.	.	H	α-helix	trans	-60.8	-46.3	175	-173.9	174.1	-179	156.9	0	112.3	E75 L109 F110 Q111 K115 S116 I117	E75-K113 VanDerWaalsContact CD-NZ 3.26Å; E75-K113 IonicContact OE1-NZ 3.67Å; E75-K113 PolarHBondContact OE1-NZ 2.81Å; E75-K113 VanDerWaalsContact OE2-CD 3.23Å; E75-K113 WeakPolarHBondContact OE2-CD 3.38Å; E75-K113 WeakPolarHBondContact OE2-CE 3.36Å; E75-K113 IonicContact OE2-NZ 3.03Å; E75-K113 PolarHBondContact OE2-NZ 3.4Å; L109-K113 PolarHBondContact O-N 3.27Å; F110-K113 PolarHBondContact O-N 2.88Å; Q111-K113 PolarHBondContact O-N 3.37Å; K113-K115 VanDerWaalsContact C-N 3.34Å; K113-K115 PolarHBondContact O-N 3.5Å; K113-S116 PolarHBondContact O-N 2.87Å; K113-I117 HydrophobicContact CG-CD1 4.35Å; K113-I117 WeakPolarHBondContact O-CG1 3.34Å; K113-I117 PolarHBondContact O-N 3.3Å
114	R	50.9	Low	43.1	Very low	190 Å²	190	95.7 Å²	95.7	72%	0.717	48%	0.479	S	S	*	.	H	α-helix	trans	-62.8	-39.1	175.9	-74.9	-174.3	75.2	171.5	2.5	112.2	F110 Q111 Q118	F110-R114 PolarHBondContact O-N 3.23Å; Q111-R114 PolarHBondContact O-N 2.94Å; R114-Q118 PolarHBondContact O-N 2.89Å
115	K	52.1	Low	42.7	Very low	101 Å²	101	101.6 Å²	101.6	44%	0.439	50%	0.502	S	S	.	.	H	α-helix	trans	-68.1	-38.2	179.6	-72.7	173.2	-175.5	-179.5	0	112.1	Q111 M112 K113 Q118 C119	Q111-K115 WeakPolarHBondContact O-CB 3.04Å; Q111-K115 WeakPolarHBondContact O-CG 3.47Å; Q111-K115 PolarHBondContact O-N 3.23Å; M112-K115 PolarHBondContact O-N 2.85Å; K113-K115 VanDerWaalsContact C-N 3.34Å; K113-K115 PolarHBondContact O-N 3.5Å; K115-Q118 PolarHBondContact O-N 2.82Å; K115-C119 PolarHBondContact O-N 3.06Å
116	S	43	Very low	42.4	Very low	41 Å²	41	105.5 Å²	105.5	29%	0.287	52%	0.518	S	S	.	.	H	α-helix	trans	-68.3	-38.6	175.1	169.8	0	0	0	0	113.4	L79 M112 K113 Q118 C119 G120	L79-S116 VanDerWaalsContact CD2-OG 3.31Å; L79-S116 WeakPolarHBondContact CD2-OG 3.39Å; M112-S116 PolarHBondContact O-N 2.87Å; K113-S116 PolarHBondContact O-N 2.87Å; S116-Q118 PolarHBondContact O-N 3.23Å; S116-C119 PolarHBondContact O-N 3.3Å; S116-G120 PolarHBondContact O-N 3.4Å
117	I	38.3	Very low	41.7	Very low	119 Å²	119	108.4 Å²	108.4	61%	0.61	54%	0.536	S	S	*	.	H	α-helix	trans	-60.2	-30.8	173.3	-63.4	166.3	0	0	0	111.1	K113	K113-I117 HydrophobicContact CG-CD1 4.35Å; K113-I117 WeakPolarHBondContact O-CG1 3.34Å; K113-I117 PolarHBondContact O-N 3.3Å
118	Q	34.5	Very low	41.1	Very low	127 Å²	127	109.9 Å²	109.9	59%	0.593	54%	0.544	S	S	*	.	H	α-helix	trans	-80.6	-33.2	172.1	-76.8	-178.8	-14.1	0	0	113.5	R114 K115 S116 G120 K121 T122	R114-Q118 PolarHBondContact O-N 2.89Å; K115-Q118 PolarHBondContact O-N 2.82Å; S116-Q118 PolarHBondContact O-N 3.23Å; Q118-G120 VanDerWaalsContact C-N 3.26Å; Q118-G120 PolarHBondContact O-N 3.33Å; Q118-K121 PolarHBondContact O-N 3.06Å; Q118-T122 PolarHBondContact O-OG1 3.24Å
119	C	31.3	Very low	40.3	Very low	71 Å²	71	115.4 Å²	115.4	48%	0.48	57%	0.57	S	S	.	*	H	α-helix	trans	-64.5	-31.5	177.1	-154.6	0	0	0	0	112.3	K115 S116 K121 T122	K115-C119 PolarHBondContact O-N 3.06Å; S116-C119 PolarHBondContact O-N 3.3Å; C119-K121 PolarHBondContact O-N 2.81Å; C119-K121 VanDerWaalsContact O-N 3.14Å; C119-T122 PolarHBondContact O-N 2.77Å
120	G	29.5	Very low	39.5	Very low	67 Å²	67	125.6 Å²	125.6	69%	0.691	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-12.9	175.3	0	0	0	0	0	115.5	S116 Q118	S116-G120 PolarHBondContact O-N 3.4Å; Q118-G120 VanDerWaalsContact C-N 3.26Å; Q118-G120 PolarHBondContact O-N 3.33Å
121	K	36.7	Very low	38.5	Very low	191 Å²	191	128.5 Å²	128.5	83%	0.83	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	-10.9	175.3	-74.8	-173.1	177.9	179.6	0	114.4	Q118 C119	Q118-K121 PolarHBondContact O-N 3.06Å; C119-K121 PolarHBondContact O-N 2.81Å; C119-K121 VanDerWaalsContact O-N 3.14Å
122	T	36.3	Very low	37.4	Very low	101 Å²	101	133.6 Å²	133.6	62%	0.62	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	-10.9	-173.5	-25.1	0	0	0	0	113.9	Q118 C119 N124	Q118-T122 PolarHBondContact O-OG1 3.24Å; C119-T122 PolarHBondContact O-N 2.77Å; T122-N124 VanDerWaalsContact C-N 3.35Å; T122-N124 PolarHBondContact O-N 3.23Å
123	Q	30.9	Very low	36.7	Very low	151 Å²	151	136.3 Å²	136.3	71%	0.706	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-6.5	-179.5	-78.6	-165.2	-30.7	0	0	115.9
124	N	33.6	Very low	36.2	Very low	147 Å²	147	139.2 Å²	139.2	79%	0.786	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	9.3	175.9	-102.6	-31.2	0	0	0	115.7	T122	T122-N124 VanDerWaalsContact C-N 3.35Å; T122-N124 PolarHBondContact O-N 3.23Å
125	K	35.8	Very low	35.4	Very low	175 Å²	175	139.2 Å²	139.2	76%	0.761	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.4	-14.6	178.1	-120.2	-177.7	-178.8	-175.9	0	116.2
126	L	39.9	Very low	34.4	Very low	141 Å²	141	143.8 Å²	143.8	74%	0.738	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-17.9	-176.8	-121.3	139.5	0	0	0	114.3
127	E	31.4	Very low	33.7	Very low	172 Å²	172	151 Å²	151	80%	0.804	75%	0.749	S	S	*	*	S	Bend	trans	-81.6	-21.6	172.5	-89.9	-174.9	149.3	0	0	114.3
128	Q	36.1	Very low	33.2	Very low	158 Å²	158	152.9 Å²	152.9	74%	0.738	76%	0.755	S	S	*	*	S	Bend	trans	-86.6	-2.4	179.2	-79.4	-168.6	3.9	0	0	115.5
129	Q	34	Very low	32.9	Very low	173 Å²	173	156.4 Å²	156.4	81%	0.808	76%	0.764	S	S	*	*	S	Bend	trans	-104	-7.8	178.8	-82	-165.5	-3.6	0	0	115.8
130	R	32.8	Very low	32.8	Very low	219 Å²	219	161.4 Å²	161.4	83%	0.826	78%	0.778	S	S	*	*	S	Bend	trans	-98.1	-6.5	-178.4	-93.8	-175	174.5	176.4	-0.5	117.6
131	N	29.5	Very low	32.6	Very low	147 Å²	147	166.3 Å²	166.3	79%	0.786	79%	0.788	S	S	*	*			trans	-126	66.4	173.1	-71.7	-22.6	0	0	0	111.9
132	K	30.4	Very low	32.2	Very low	186 Å²	186	160.7 Å²	160.7	81%	0.809	77%	0.773	S	S	*	*			trans	-115	78.8	158	-73.7	-170.9	-178.4	-178.3	0	109
133	T	34.2	Very low	31.8	Very low	124 Å²	124	164.6 Å²	164.6	76%	0.761	78%	0.784	S	S	*	*			trans	-61.1	123.6	164.4	-25.3	0	0	0	0	107.9	K135	T133-K135 VanDerWaalsContact C-N 3.29Å; T133-K135 PolarHBondContact O-N 3.44Å
134	P	39.9	Very low	31.7	Very low	123 Å²	123	161.3 Å²	161.3	80%	0.799	79%	0.79	S	S	*	*	S	Bend	trans	-82.9	71.4	-171.1	32.8	-34.2	0	0	0	110.8
135	K	33.2	Very low	31.3	Very low	190 Å²	190	163.5 Å²	163.5	83%	0.826	79%	0.793	S	S	*	*			trans	-149.4	74.7	165.9	-75.4	-166.4	179.9	177	0	110.6	T133	T133-K135 VanDerWaalsContact C-N 3.29Å; T133-K135 PolarHBondContact O-N 3.44Å
136	Q	31.5	Very low	31	Very low	196 Å²	196	161.8 Å²	161.8	92%	0.916	80%	0.797	S	S	*	*			trans	-167.1	62.7	149.5	-104.2	172.4	32.7	0	0	107.5
137	K	28.4	Very low	30.4	Very low	193 Å²	193	160.4 Å²	160.4	84%	0.839	80%	0.799	S	S	*	*			trans	-82.1	133	150.7	-76	-175.8	176.5	-179.2	0	105.5
138	H	28.3	Very low	30.2	Very low	158 Å²	158	157.8 Å²	157.8	73%	0.731	80%	0.799	S	S	*	*	S	Bend	trans	97.2	127.8	175.6	-65.4	-80	0	0	0	117.1
139	Y	27.7	Very low	29.6	Very low	202 Å²	202	156.9 Å²	156.9	79%	0.792	80%	0.8	S	S	*	*			trans	75.9	103.4	174.7	-56.8	-85.7	0	0	0	113.4
140	F	27.9	Very low	29.3	Very low	176 Å²	176	157.1 Å²	157.1	77%	0.772	80%	0.803	S	S	*	*			cis	-147.2	108.1	43.8	-98.8	-104.7	0	0	0	111.3	S142	F140-S142 WeakPolarHBondContact CD1-OG 3.14Å
141	N	26.2	Very low	28.9	Very low	170 Å²	170	153.6 Å²	153.6	91%	0.909	80%	0.8	S	S	*	*			trans	-77.4	106.2	139.6	-96.6	-18.1	0	0	0	105.5
142	S	28.5	Very low	28.6	Very low	72 Å²	72	152.3 Å²	152.3	50%	0.503	80%	0.802	S	S	.	*			trans	-179.4	117.7	146.2	24.5	0	0	0	0	112.4	F140	F140-S142 WeakPolarHBondContact CD1-OG 3.14Å
143	H	27.5	Very low	28.3	Very low	184 Å²	184	151.5 Å²	151.5	85%	0.852	80%	0.804	S	S	*	*			trans	60.8	107	141.8	-66.4	-66.1	0	0	0	121
144	G	29	Very low	27.9	Very low	81 Å²	81	153.7 Å²	153.7	84%	0.835	81%	0.806	S	S	*	*			trans	-161	76.1	151.4	0	0	0	0	0	110.5
145	K	24.7	Very low	27.3	Very low	193 Å²	193	153.6 Å²	153.6	84%	0.839	80%	0.799	S	S	*	*			trans	-63.7	124.5	166.5	-76.4	173	172.5	176.8	0	108.6
146	V	29.8	Very low	27	Very low	139 Å²	139	150.3 Å²	150.3	84%	0.842	80%	0.8	S	S	*	*			trans	-152	127.2	130.9	-177.4	0	0	0	0	108.6
147	S	26.6	Very low	26.8	Very low	112 Å²	112	148.6 Å²	148.6	78%	0.783	80%	0.796	S	S	*	*			trans	-66.4	136.4	176.1	51.8	0	0	0	0	113.3
148	S	27.6	Very low	26.8	Very low	117 Å²	117	147.1 Å²	147.1	82%	0.818	80%	0.797	S	S	*	*			trans	-142.1	116.3	148.2	174.9	0	0	0	0	108.1
149	N	24.4	Very low	26.8	Very low	140 Å²	140	148.7 Å²	148.7	75%	0.749	80%	0.802	S	S	*	*			trans	-87.5	115.7	-175.7	-170	16	0	0	0	108.4
150	M	26.8	Very low	27	Very low	177 Å²	177	148.7 Å²	148.7	87%	0.872	81%	0.806	S	S	*	*			trans	-139.3	97.9	164.5	-83.9	-81.6	-158.9	0	0	107.7	C152	M150-C152 PolarHBondContact O-N 2.89Å
151	N	24.7	Very low	27.1	Very low	145 Å²	145	145 Å²	145	78%	0.775	80%	0.8	S	S	*	*			trans	-52.6	118.7	165.2	-79.5	-31	0	0	0	110.1
152	C	23.8	Very low	27.3	Very low	120 Å²	120	143.5 Å²	143.5	81%	0.811	79%	0.792	S	S	*	*			trans	179.7	103.5	147	-99.1	0	0	0	0	107.8	M150	M150-C152 PolarHBondContact O-N 2.89Å
153	I	22.9	Very low	27.4	Very low	169 Å²	169	147.1 Å²	147.1	87%	0.867	81%	0.805	S	S	*	*			trans	165.2	109.9	146.9	-79.9	148	0	0	0	106.8
154	Q	26.3	Very low	27.7	Very low	171 Å²	171	147.5 Å²	147.5	80%	0.799	80%	0.804	S	S	*	*			trans	-169.8	132.8	151.6	-85.9	-154.4	-28.4	0	0	104.9
155	N	27.3	Very low	28	Very low	121 Å²	121	148.8 Å²	148.8	65%	0.647	80%	0.796	S	S	*	*			cis	-167.7	129.9	9.5	-90.3	-32.9	0	0	0	106.6
156	S	26.8	Very low	28.5	Very low	120 Å²	120	147.3 Å²	147.3	84%	0.839	79%	0.792	S	S	*	*	S	Bend	trans	-173.9	53.3	150.1	55.7	0	0	0	0	113.1
157	L	27.2	Very low	28.7	Very low	161 Å²	161	149.1 Å²	149.1	84%	0.843	79%	0.791	S	S	*	*			trans	-144.2	41.6	169.3	-104.6	157.5	0	0	0	112	K159	L157-K159 VanDerWaalsContact C-N 3.34Å; L157-K159 PolarHBondContact O-N 2.9Å
158	N	29.2	Very low	28.9	Very low	162 Å²	162	150.9 Å²	150.9	87%	0.866	78%	0.781	S	S	*	*			trans	-93.1	58	166.9	-88	-11.3	0	0	0	111.2
159	K	28	Very low	29	Very low	191 Å²	191	151.9 Å²	151.9	83%	0.83	78%	0.777	S	S	*	*			trans	-151.8	90.5	154.3	-73	-164.7	179.4	174.9	0	108.3	L157 P161	L157-K159 VanDerWaalsContact C-N 3.34Å; L157-K159 PolarHBondContact O-N 2.9Å; K159-P161 VanDerWaalsContact O-CD 3.3Å; K159-P161 WeakPolarHBondContact O-CD 3.38Å
160	K	30.8	Very low	29.4	Very low	202 Å²	202	151.2 Å²	151.2	88%	0.878	77%	0.774	S	S	*	*			trans	-75.7	116.2	166.8	-80.4	178.8	176.9	172.7	0	108.1	N162	K160-N162 PolarHBondContact O-N 3.2Å
161	P	29.9	Very low	29.9	Very low	99 Å²	99	147.1 Å²	147.1	64%	0.643	75%	0.752	S	S	*	*			trans	-69.4	128.3	166.4	27.5	-29.4	0	0	0	108.7	K159 L163	K159-P161 VanDerWaalsContact O-CD 3.3Å; K159-P161 WeakPolarHBondContact O-CD 3.38Å; P161-L163 VanDerWaalsContact C-N 3.33Å; P161-L163 HydrophobicContact CG-CD1 4.33Å; P161-L163 PolarHBondContact O-N 3.46Å
162	N	31.3	Very low	30.3	Very low	138 Å²	138	145.9 Å²	145.9	74%	0.738	74%	0.743	S	S	*	*			trans	-77.5	84	-178.3	-154.7	10.8	0	0	0	108.7	K160 F164	K160-N162 PolarHBondContact O-N 3.2Å; N162-F164 VanDerWaalsContact C-N 3.29Å; N162-F164 PolarHBondContact O-N 3Å
163	L	31.4	Very low	30.8	Very low	148 Å²	148	144.1 Å²	144.1	78%	0.775	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	16.9	-171.1	-115.9	147.7	0	0	0	114	P161	P161-L163 VanDerWaalsContact C-N 3.33Å; P161-L163 HydrophobicContact CG-CD1 4.33Å; P161-L163 PolarHBondContact O-N 3.46Å
164	F	32.2	Very low	31.9	Very low	192 Å²	192	141 Å²	141	84%	0.842	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	2.4	-172.7	-84.5	-72.2	0	0	0	115.7	N162 H166	N162-F164 VanDerWaalsContact C-N 3.29Å; N162-F164 PolarHBondContact O-N 3Å; F164-H166 PolarHBondContact O-N 3.39Å
165	T	36.9	Very low	32.8	Very low	107 Å²	107	136.7 Å²	136.7	66%	0.656	70%	0.696	S	S	*	*	S	Bend	trans	-100.9	95	-179.9	34.8	0	0	0	0	111.5
166	H	34.7	Very low	33.6	Very low	162 Å²	162	136.5 Å²	136.5	75%	0.75	69%	0.694	S	S	*	*	S	Bend	trans	102.9	-12.2	141.4	-81.2	-73.5	0	0	0	124.2	F164	F164-H166 PolarHBondContact O-N 3.39Å
167	E	33	Very low	34.7	Very low	178 Å²	178	136 Å²	136	83%	0.832	68%	0.679	S	S	*	*	S	Bend	trans	-95.1	-16.8	178.2	-81.7	179.4	163.3	0	0	115.7
168	Y	31.5	Very low	35.8	Very low	148 Å²	148	132.2 Å²	132.2	58%	0.58	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-16.3	-167.4	-123.2	-92.8	0	0	0	115.8
169	L	30	Very low	36.5	Very low	139 Å²	139	127.1 Å²	127.1	73%	0.728	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-39.8	-176.2	-76.6	170.7	0	0	0	112.1	E171 M172	L169-E171 VanDerWaalsContact C-N 3.31Å; L169-E171 PolarHBondContact O-N 2.87Å; L169-M172 PolarHBondContact O-N 3.09Å
170	D	33.2	Very low	37.3	Very low	126 Å²	126	122.9 Å²	122.9	67%	0.674	62%	0.62	S	S	*	*	H	α-helix	trans	-64.8	-38.7	176.2	-71.4	-16.3	0	0	0	110.8	M172 S173	D170-M172 PolarHBondContact O-N 3.07Å; D170-M172 VanDerWaalsContact O-N 3.15Å; D170-S173 PolarHBondContact O-N 3.33Å; D170-S173 VanDerWaalsContact O-N 3.17Å
171	E	36.6	Very low	38.1	Very low	90 Å²	90	118.9 Å²	118.9	42%	0.421	61%	0.605	S	S	.	*	H	α-helix	trans	-66.8	-17.2	180	-138.3	-166.8	-151.9	0	0	113.9	L169 K175	L169-E171 VanDerWaalsContact C-N 3.31Å; L169-E171 PolarHBondContact O-N 2.87Å; E171-K175 WeakPolarHBondContact O-CD 3.39Å; E171-K175 VanDerWaalsContact O-CE 3.26Å; E171-K175 WeakPolarHBondContact O-CE 3.43Å; E171-K175 WeakPolarHBondContact O-CG 3.44Å; E171-K175 IonicContact OE2-NZ 2.69Å; E171-K175 PolarHBondContact OE2-NZ 3.29Å
172	M	33.4	Very low	38.6	Very low	119 Å²	119	117.5 Å²	117.5	59%	0.586	59%	0.591	S	S	*	*	H	α-helix	trans	-81.6	-33	174.8	-82.3	-159.9	-171.5	0	0	112.8	L169 D170 K175 L176	L169-M172 PolarHBondContact O-N 3.09Å; D170-M172 PolarHBondContact O-N 3.07Å; D170-M172 VanDerWaalsContact O-N 3.15Å; M172-K175 PolarHBondContact O-N 3.41Å; M172-L176 PolarHBondContact O-N 2.75Å
173	S	34.2	Very low	39.2	Very low	83 Å²	83	118.1 Å²	118.1	58%	0.58	59%	0.585	S	S	*	*	H	α-helix	trans	-64.8	-44.6	178	-160.5	0	0	0	0	110	D170 K175 L176 E177	D170-S173 PolarHBondContact O-N 3.33Å; D170-S173 VanDerWaalsContact O-N 3.17Å; S173-K175 VanDerWaalsContact C-N 3.26Å; S173-K175 PolarHBondContact O-N 3.41Å; S173-L176 PolarHBondContact O-N 2.82Å; S173-E177 PolarHBondContact O-N 3Å; S173-E177 VanDerWaalsContact O-N 3.13Å
174	D	45.2	Very low	39.9	Very low	104 Å²	104	117.6 Å²	117.6	56%	0.556	58%	0.576	S	S	*	*	H	α-helix	trans	-59.8	-35.7	175.8	-67.5	-7.3	0	0	0	112.5	E177 E178	D174-E177 PolarHBondContact O-N 2.83Å; D174-E178 WeakPolarHBondContact O-CB 3.24Å; D174-E178 PolarHBondContact O-N 2.78Å
175	K	46.1	Very low	40.3	Very low	80 Å²	80	114.5 Å²	114.5	35%	0.348	56%	0.559	S	S	.	*	H	α-helix	trans	-73.2	-33.8	-178.4	-74.5	169.3	-165.4	164.8	0	113.1	E171 M172 S173 A179	E171-K175 WeakPolarHBondContact O-CD 3.39Å; E171-K175 VanDerWaalsContact O-CE 3.26Å; E171-K175 WeakPolarHBondContact O-CE 3.43Å; E171-K175 WeakPolarHBondContact O-CG 3.44Å; E171-K175 IonicContact OE2-NZ 2.69Å; E171-K175 PolarHBondContact OE2-NZ 3.29Å; M172-K175 PolarHBondContact O-N 3.41Å; S173-K175 VanDerWaalsContact C-N 3.26Å; S173-K175 PolarHBondContact O-N 3.41Å; K175-A179 WeakPolarHBondContact O-CB 3.37Å; K175-A179 PolarHBondContact O-N 3.44Å
176	L	44.7	Very low	40.4	Very low	118 Å²	118	112.1 Å²	112.1	62%	0.618	55%	0.547	S	S	*	.	H	α-helix	trans	-70.5	-42	174	-163.3	82.3	0	0	0	109.9	M172 S173 A179 E180	M172-L176 PolarHBondContact O-N 2.75Å; S173-L176 PolarHBondContact O-N 2.82Å; L176-A179 PolarHBondContact O-N 3.34Å; L176-E180 PolarHBondContact O-N 2.83Å
177	E	50.1	Low	40.7	Very low	108 Å²	108	110.2 Å²	110.2	51%	0.505	54%	0.538	S	S	.	.	H	α-helix	trans	-62.2	-43.4	176	-169.2	170.7	-177.8	0	0	111.8	S173 D174 A179 E180 Q181	S173-E177 PolarHBondContact O-N 3Å; S173-E177 VanDerWaalsContact O-N 3.13Å; D174-E177 PolarHBondContact O-N 2.83Å; E177-A179 PolarHBondContact O-N 2.99Å; E177-E180 PolarHBondContact O-N 3.14Å; E177-Q181 WeakPolarHBondContact O-CB 3.38Å; E177-Q181 WeakPolarHBondContact O-CG 3.49Å; E177-Q181 PolarHBondContact O-N 3.44Å
178	E	48.6	Very low	40.8	Very low	83 Å²	83	106.7 Å²	106.7	39%	0.388	53%	0.532	S	S	.	.	H	α-helix	trans	-63.4	-39.7	176.5	-161.8	-167.2	163.4	0	0	112	K108 D174 Q181 L182	K108-E178 IonicContact NZ-OE1 2.77Å; K108-E178 PolarHBondContact NZ-OE1 3.06Å; D174-E178 WeakPolarHBondContact O-CB 3.24Å; D174-E178 PolarHBondContact O-N 2.78Å; E178-Q181 PolarHBondContact O-N 3.02Å; E178-L182 WeakPolarHBondContact O-CB 3.37Å; E178-L182 WeakPolarHBondContact O-CG 3.09Å; E178-L182 PolarHBondContact O-N 3.32Å
179	A	43.9	Very low	40.8	Very low	55 Å²	55	103.1 Å²	103.1	46%	0.455	52%	0.523	S	S	.	.	H	α-helix	trans	-67.3	-40.7	177.7	0	0	0	0	0	112.1	K175 L176 E177 L182 Y183	K175-A179 WeakPolarHBondContact O-CB 3.37Å; K175-A179 PolarHBondContact O-N 3.44Å; L176-A179 PolarHBondContact O-N 3.34Å; E177-A179 PolarHBondContact O-N 2.99Å; A179-L182 PolarHBondContact O-N 2.94Å; A179-Y183 WeakPolarHBondContact O-CB 3.17Å; A179-Y183 PolarHBondContact O-N 3.17Å
180	E	46.8	Very low	40.6	Very low	102 Å²	102	101.7 Å²	101.7	48%	0.477	52%	0.521	S	S	.	.	H	α-helix	trans	-65.6	-39.4	173.6	-77.9	-170.1	-177.5	0	0	112.2	L176 E177 Y183 K184	L176-E180 PolarHBondContact O-N 2.83Å; E177-E180 PolarHBondContact O-N 3.14Å; E180-Y183 PolarHBondContact O-N 2.88Å; E180-K184 WeakPolarHBondContact O-CB 3.34Å; E180-K184 WeakPolarHBondContact O-CG 3.12Å; E180-K184 PolarHBondContact O-N 3.32Å
181	Q	45.7	Very low	40.6	Very low	117 Å²	117	104.8 Å²	104.8	55%	0.547	53%	0.532	S	S	.	.	H	α-helix	trans	-63.5	-42.6	174.5	-74.6	-174.1	12.7	0	0	111.6	E177 E178 K184 W185	E177-Q181 WeakPolarHBondContact O-CB 3.38Å; E177-Q181 WeakPolarHBondContact O-CG 3.49Å; E177-Q181 PolarHBondContact O-N 3.44Å; E178-Q181 PolarHBondContact O-N 3.02Å; Q181-K184 PolarHBondContact O-N 3.26Å; Q181-W185 VanDerWaalsContact O-CB 3.23Å; Q181-W185 WeakPolarHBondContact O-CB 3.34Å; Q181-W185 PolarHBondContact O-N 3.35Å
182	L	41.6	Very low	40.4	Very low	70 Å²	70	110.7 Å²	110.7	37%	0.366	57%	0.565	S	S	.	*	H	α-helix	trans	-64.5	-39.3	174.9	-76.9	168.6	0	0	0	112.3	E178 A179 W185 S186	E178-L182 WeakPolarHBondContact O-CB 3.37Å; E178-L182 WeakPolarHBondContact O-CG 3.09Å; E178-L182 PolarHBondContact O-N 3.32Å; A179-L182 PolarHBondContact O-N 2.94Å; L182-W185 PolarHBondContact O-N 3.01Å; L182-S186 WeakPolarHBondContact O-CB 3.44Å; L182-S186 PolarHBondContact O-N 2.93Å
183	Y	44	Very low	40.8	Very low	152 Å²	152	110.3 Å²	110.3	60%	0.596	56%	0.564	S	S	*	*	H	α-helix	trans	-65.4	-50.5	175.6	-178.5	-102.2	0	0	0	110.9	A179 E180 W185 S186 Q187	A179-Y183 WeakPolarHBondContact O-CB 3.17Å; A179-Y183 PolarHBondContact O-N 3.17Å; E180-Y183 PolarHBondContact O-N 2.88Å; Y183-W185 VanDerWaalsContact C-N 3.3Å; Y183-W185 PolarHBondContact O-N 2.99Å; Y183-S186 PolarHBondContact O-N 3.01Å; Y183-S186 VanDerWaalsContact O-N 3.1Å; Y183-S186 PolarHBondContact O-OG 3.32Å; Y183-Q187 HydrophobicContact CD1-CG 4.47Å; Y183-Q187 HydrophobicContact CE1-CG 4.14Å; Y183-Q187 WeakPolarHBondContact O-CG 3.38Å; Y183-Q187 PolarHBondContact O-N 2.96Å; Y183-Q187 VanDerWaalsContact O-N 3.1Å
184	K	46.3	Very low	41.1	Very low	136 Å²	136	111.7 Å²	111.7	59%	0.591	56%	0.563	S	S	*	*	H	α-helix	trans	-57.5	-43.1	175.2	-75.5	175.4	-178.4	166.7	0	111.7	E180 Q181 S186 Q187 C188	E180-K184 WeakPolarHBondContact O-CB 3.34Å; E180-K184 WeakPolarHBondContact O-CG 3.12Å; E180-K184 PolarHBondContact O-N 3.32Å; Q181-K184 PolarHBondContact O-N 3.26Å; K184-S186 VanDerWaalsContact C-N 3.34Å; K184-S186 PolarHBondContact O-N 3Å; K184-Q187 PolarHBondContact O-N 3.44Å; K184-Q187 VanDerWaalsContact O-N 3.16Å; K184-C188 PolarHBondContact O-N 2.91Å; K184-C188 VanDerWaalsContact O-N 3.07Å; K184-C188 PolarHBondContact O-SG 3.33Å; K184-C188 VanDerWaalsContact O-SG 3.36Å
185	W	39.9	Very low	40.9	Very low	128 Å²	128	112.1 Å²	112.1	49%	0.485	56%	0.564	S	S	.	*	H	α-helix	trans	-62	-41.5	176.2	-175.1	80.9	0	0	0	112	Q181 L182 Y183 Q187 C188 L189	Q181-W185 VanDerWaalsContact O-CB 3.23Å; Q181-W185 WeakPolarHBondContact O-CB 3.34Å; Q181-W185 PolarHBondContact O-N 3.35Å; L182-W185 PolarHBondContact O-N 3.01Å; Y183-W185 VanDerWaalsContact C-N 3.3Å; Y183-W185 PolarHBondContact O-N 2.99Å; W185-Q187 PolarHBondContact O-N 3.21Å; W185-C188 PolarHBondContact O-N 3.47Å; W185-C188 VanDerWaalsContact O-N 3.09Å; W185-L189 HydrophobicContact CE3-CD1 4.06Å; W185-L189 HydrophobicContact CH2-CD1 3.86Å; W185-L189 HydrophobicContact CH2-CD2 4.06Å; W185-L189 HydrophobicContact CH2-CG 4.4Å; W185-L189 HydrophobicContact CZ2-CD1 4.4Å; W185-L189 HydrophobicContact CZ2-CD2 3.83Å; W185-L189 HydrophobicContact CZ2-CG 4.46Å; W185-L189 HydrophobicContact CZ3-CD1 3.68Å; W185-L189 HydrophobicContact CZ3-CG 4.42Å; W185-L189 PolarHBondContact O-N 3.24Å
186	S	38.2	Very low	40.6	Very low	57 Å²	57	114 Å²	114	40%	0.399	58%	0.576	S	S	.	*	H	α-helix	trans	-63.7	-28.8	176.8	76.5	0	0	0	0	113.2	L182 Y183 K184	L182-S186 WeakPolarHBondContact O-CB 3.44Å; L182-S186 PolarHBondContact O-N 2.93Å; Y183-S186 PolarHBondContact O-N 3.01Å; Y183-S186 VanDerWaalsContact O-N 3.1Å; Y183-S186 PolarHBondContact O-OG 3.32Å; K184-S186 VanDerWaalsContact C-N 3.34Å; K184-S186 PolarHBondContact O-N 3Å
187	Q	40.9	Very low	40.4	Very low	121 Å²	121	113.8 Å²	113.8	57%	0.565	57%	0.574	S	S	*	*	H	α-helix	trans	-79.3	-25.5	173.8	-58.9	-58.9	-49.7	0	0	113.2	Y183 K184 W185 L189	Y183-Q187 HydrophobicContact CD1-CG 4.47Å; Y183-Q187 HydrophobicContact CE1-CG 4.14Å; Y183-Q187 WeakPolarHBondContact O-CG 3.38Å; Y183-Q187 PolarHBondContact O-N 2.96Å; Y183-Q187 VanDerWaalsContact O-N 3.1Å; K184-Q187 PolarHBondContact O-N 3.44Å; K184-Q187 VanDerWaalsContact O-N 3.16Å; W185-Q187 PolarHBondContact O-N 3.21Å; Q187-L189 VanDerWaalsContact C-N 3.31Å
188	C	36.2	Very low	39.7	Very low	105 Å²	105	114.1 Å²	114.1	71%	0.709	58%	0.578	S	S	*	*	H	α-helix	trans	-83	-5.8	177.9	-67.9	0	0	0	0	113.7	K184 W185	K184-C188 PolarHBondContact O-N 2.91Å; K184-C188 VanDerWaalsContact O-N 3.07Å; K184-C188 PolarHBondContact O-SG 3.33Å; K184-C188 VanDerWaalsContact O-SG 3.36Å; W185-C188 PolarHBondContact O-N 3.47Å; W185-C188 VanDerWaalsContact O-N 3.09Å
189	L	30.3	Very low	39.1	Very low	73 Å²	73	116.4 Å²	116.4	38%	0.382	59%	0.592	S	S	.	*	S	Bend	trans	-74.1	134.7	176.1	-70.7	173.4	0	0	0	109.8	W185 Q187 Q191	W185-L189 HydrophobicContact CE3-CD1 4.06Å; W185-L189 HydrophobicContact CH2-CD1 3.86Å; W185-L189 HydrophobicContact CH2-CD2 4.06Å; W185-L189 HydrophobicContact CH2-CG 4.4Å; W185-L189 HydrophobicContact CZ2-CD1 4.4Å; W185-L189 HydrophobicContact CZ2-CD2 3.83Å; W185-L189 HydrophobicContact CZ2-CG 4.46Å; W185-L189 HydrophobicContact CZ3-CD1 3.68Å; W185-L189 HydrophobicContact CZ3-CG 4.42Å; W185-L189 PolarHBondContact O-N 3.24Å; Q187-L189 VanDerWaalsContact C-N 3.31Å; L189-Q191 PolarHBondContact O-N 3.33Å
190	P	26.6	Very low	38.7	Very low	108 Å²	108	121.1 Å²	121.1	70%	0.701	60%	0.602	S	S	*	*			trans	-54.5	126.1	175.3	-21	30.3	0	0	0	109.8	L192	P190-L192 PolarHBondContact O-N 3.41Å; P190-L192 VanDerWaalsContact O-N 3.14Å
191	Q	32.5	Very low	38	Very low	192 Å²	192	122.7 Å²	122.7	90%	0.897	61%	0.613	S	S	*	*			trans	-64.6	113.4	169.1	-67.8	-177.9	-9.4	0	0	107.5	L189	L189-Q191 PolarHBondContact O-N 3.33Å
192	L	34.1	Very low	37.3	Very low	213 Å²	213	123.2 Å²	123.2	100%	1.115	62%	0.619	S	S	*	*			trans	-105.5	0	172.3	-78	169.8	0	0	0	110.9	P190	P190-L192 PolarHBondContact O-N 3.41Å; P190-L192 VanDerWaalsContact O-N 3.14Å

Retrieved 192 of 192 residues in 282.4 ms (Link to these results)

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