G4LVY8_SCHMA Loading...

Neuropeptide Y,putative

AlphaFold DB , UniProt , Accession G4LVY8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 119 aa.

						>G4LVY8_SCHMA|G4LVY8
MYSTHCVQRFNGHSIYYHLFTLLILIHYIDQIHGQYDSYKWRNDQDDTSYIPLNKMTIHSLLNHNDHTNDGRKIIKTRAVEIVPPERPFIFETPEALRTYLHKLNEYFAIIGRPRFGRR
					

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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	47.9	Very low	56.2	Low	241 Å²	241	154.3 Å²	154.3	100%	1.187	77%	0.767	S	S	*	*				0	109.4	0	-75.2	170.1	129.8	0	0	107.4	S3	M1-S3 PolarHBondContact O-N 3.33Å
2	Y	48.7	Very low	57.8	Low	232 Å²	232	144.8 Å²	144.8	91%	0.91	74%	0.738	S	S	*	*			trans	-71.4	115	177.7	-64.3	-88.6	0	0	0	108.5
3	S	52.7	Low	59.4	Low	96 Å²	96	144.5 Å²	144.5	67%	0.671	73%	0.732	S	S	*	*			trans	-107.1	87.5	157.8	-168.6	0	0	0	0	106.7	M1 H5	M1-S3 PolarHBondContact O-N 3.33Å; S3-H5 PolarHBondContact O-N 2.95Å
4	T	52.4	Low	61	Low	107 Å²	107	137 Å²	137	66%	0.656	70%	0.699	S	S	*	*			trans	-66.3	91.9	164.6	46.1	0	0	0	0	106.6	C6	T4-C6 PolarHBondContact O-N 2.8Å
5	H	57.3	Low	62.8	Low	166 Å²	166	133.6 Å²	133.6	77%	0.769	68%	0.682	S	S	*	*			trans	-62.4	87.4	155.7	-89.5	-89.6	0	0	0	106.2	S3 V7	S3-H5 PolarHBondContact O-N 2.95Å; H5-V7 PolarHBondContact O-N 2.82Å
6	C	51.9	Low	64.4	Low	111 Å²	111	135.3 Å²	135.3	75%	0.75	68%	0.678	S	S	*	*			trans	-61.5	95.3	163.6	-71.8	0	0	0	0	105.5	T4 Q8	T4-C6 PolarHBondContact O-N 2.8Å; C6-Q8 PolarHBondContact O-N 2.83Å
7	V	57.5	Low	65.9	Low	128 Å²	128	137.2 Å²	137.2	78%	0.776	68%	0.677	S	S	*	*			trans	-58.3	99.9	166.2	178.6	0	0	0	0	104.6	H5 R9	H5-V7 PolarHBondContact O-N 2.82Å; V7-R9 PolarHBondContact O-N 2.77Å
8	Q	61.5	Low	67.2	Low	140 Å²	140	135.7 Å²	135.7	65%	0.654	67%	0.668	S	S	*	*			trans	-55.4	107.4	177.9	-175.5	160.4	-32.8	0	0	105.9	C6 F10	C6-Q8 PolarHBondContact O-N 2.83Å; Q8-F10 HydrophobicContact CB-CE2 4.26Å; Q8-F10 HydrophobicContact CB-CZ 4.48Å; Q8-F10 HydrophobicContact CG-CZ 4.38Å; Q8-F10 WeakPolarHBondContact O-CD2 3.22Å; Q8-F10 PolarHBondContact O-N 2.87Å
9	R	59.2	Low	68.5	Low	235 Å²	235	133.3 Å²	133.3	89%	0.887	66%	0.658	S	S	*	*			trans	-63	92.6	173.2	-88.7	-166.9	175	-172.7	0.2	105.8	V7 N11	V7-R9 PolarHBondContact O-N 2.77Å; R9-N11 PolarHBondContact O-N 3.05Å
10	F	62.2	Low	69.8	Low	118 Å²	118	133.3 Å²	133.3	52%	0.518	65%	0.654	S	S	.	*			trans	-62	113.1	168.3	-72.1	-79.1	0	0	0	106.2	Q8 G12	Q8-F10 HydrophobicContact CB-CE2 4.26Å; Q8-F10 HydrophobicContact CB-CZ 4.48Å; Q8-F10 HydrophobicContact CG-CZ 4.38Å; Q8-F10 WeakPolarHBondContact O-CD2 3.22Å; Q8-F10 PolarHBondContact O-N 2.87Å; F10-G12 PolarHBondContact O-N 3.24Å
11	N	66.4	Low	70.8	Confident	123 Å²	123	130.5 Å²	130.5	66%	0.658	65%	0.645	S	S	*	*			trans	-48.7	129.5	168	-70.1	-26.3	0	0	0	107	R9 H13 S14 I15	R9-N11 PolarHBondContact O-N 3.05Å; N11-H13 CarbonylContact O-C 3.6Å; N11-H13 PolarHBondContact O-N 2.75Å; N11-S14 WeakPolarHBondContact O-CA 3.32Å; N11-S14 WeakPolarHBondContact O-CB 3.46Å; N11-S14 PolarHBondContact O-N 3.46Å; N11-I15 PolarHBondContact O-N 2.97Å
12	G	75.3	Confident	73	Confident	41 Å²	41	123.8 Å²	123.8	42%	0.423	61%	0.613	S	S	.	*	H	α-helix	trans	-48.6	-37	-175.4	0	0	0	0	0	112.5	F10 S14 I15 Y16	F10-G12 PolarHBondContact O-N 3.24Å; G12-S14 PolarHBondContact O-N 3.43Å; G12-I15 WeakPolarHBondContact O-CG2 3.39Å; G12-I15 PolarHBondContact O-N 3.45Å; G12-Y16 WeakPolarHBondContact O-CD2 3.37Å; G12-Y16 WeakPolarHBondContact O-CE2 2.97Å; G12-Y16 PolarHBondContact O-N 3.37Å
13	H	78.6	Confident	75.2	Confident	141 Å²	141	117.5 Å²	117.5	65%	0.653	60%	0.595	S	S	*	*	H	α-helix	trans	-59.9	-40.9	173.7	-60.8	-63.9	0	0	0	114.4	N11 I15 Y16 Y17	N11-H13 CarbonylContact O-C 3.6Å; N11-H13 PolarHBondContact O-N 2.75Å; H13-I15 PolarHBondContact O-N 3.27Å; H13-Y16 PolarHBondContact O-N 3.09Å; H13-Y17 HydrophobicContact CB-CE2 4.21Å; H13-Y17 WeakPolarHBondContact O-CD2 2.85Å; H13-Y17 PolarHBondContact O-N 3.39Å
14	S	82.9	Confident	77.1	Confident	39 Å²	39	117.2 Å²	117.2	27%	0.273	59%	0.585	S	S	.	*	H	α-helix	trans	-62.5	-40.1	179.1	173.2	0	0	0	0	112.1	N11 G12 Y17 H18	N11-S14 WeakPolarHBondContact O-CA 3.32Å; N11-S14 WeakPolarHBondContact O-CB 3.46Å; N11-S14 PolarHBondContact O-N 3.46Å; G12-S14 PolarHBondContact O-N 3.43Å; S14-Y17 PolarHBondContact O-N 3.03Å; S14-H18 PolarHBondContact O-CD2 3.42Å; S14-H18 VanDerWaalsContact O-CD2 3.27Å; S14-H18 PolarHBondContact O-N 3.23Å; S14-H18 VanDerWaalsContact O-N 3.09Å
15	I	86.8	Confident	79.1	Confident	86 Å²	86	116.7 Å²	116.7	44%	0.441	58%	0.577	S	S	.	*	H	α-helix	trans	-68.5	-37	177.1	-166.6	156.8	0	0	0	111.4	N11 G12 H13 Y17 H18 L19	N11-I15 PolarHBondContact O-N 2.97Å; G12-I15 WeakPolarHBondContact O-CG2 3.39Å; G12-I15 PolarHBondContact O-N 3.45Å; H13-I15 PolarHBondContact O-N 3.27Å; I15-Y17 PolarHBondContact O-N 3.27Å; I15-H18 PolarHBondContact O-N 3.34Å; I15-L19 HydrophobicContact CG1-CD1 4.25Å; I15-L19 HydrophobicContact CG1-CG 4.37Å; I15-L19 VanDerWaalsContact O-CG 3.3Å; I15-L19 WeakPolarHBondContact O-CG 3.01Å; I15-L19 PolarHBondContact O-N 3.5Å
16	Y	89.2	Confident	80.7	Confident	161 Å²	161	113.7 Å²	113.7	63%	0.631	57%	0.566	S	S	*	*	H	α-helix	trans	-63.1	-42.1	174.7	-68.1	-63.6	0	0	0	112.3	G12 H13 H18 L19 F20	G12-Y16 WeakPolarHBondContact O-CD2 3.37Å; G12-Y16 WeakPolarHBondContact O-CE2 2.97Å; G12-Y16 PolarHBondContact O-N 3.37Å; H13-Y16 PolarHBondContact O-N 3.09Å; Y16-H18 VanDerWaalsContact C-N 3.35Å; Y16-H18 PolarHBondContact O-N 2.91Å; Y16-L19 PolarHBondContact O-N 2.89Å; Y16-F20 WeakPolarHBondContact O-CB 3.49Å; Y16-F20 PolarHBondContact O-N 3.28Å
17	Y	89.9	Confident	82.4	Confident	168 Å²	168	114.9 Å²	114.9	66%	0.659	56%	0.56	S	S	*	*	H	α-helix	trans	-60.9	-44	174.6	-71.8	-64.2	0	0	0	111.7	H13 S14 I15 F20 T21	H13-Y17 HydrophobicContact CB-CE2 4.21Å; H13-Y17 WeakPolarHBondContact O-CD2 2.85Å; H13-Y17 PolarHBondContact O-N 3.39Å; S14-Y17 PolarHBondContact O-N 3.03Å; I15-Y17 PolarHBondContact O-N 3.27Å; Y17-F20 PolarHBondContact O-N 3.48Å; Y17-T21 WeakPolarHBondContact O-CG2 3.44Å; Y17-T21 PolarHBondContact O-N 3.32Å; Y17-T21 PolarHBondContact O-OG1 2.96Å
18	H	88.8	Confident	83.9	Confident	110 Å²	110	115.6 Å²	115.6	51%	0.509	55%	0.55	S	S	.	.	H	α-helix	trans	-62.3	-46.3	176.7	-82.9	-61.8	0	0	0	112.5	S14 I15 Y16 F20 T21 L22	S14-H18 PolarHBondContact O-CD2 3.42Å; S14-H18 VanDerWaalsContact O-CD2 3.27Å; S14-H18 PolarHBondContact O-N 3.23Å; S14-H18 VanDerWaalsContact O-N 3.09Å; I15-H18 PolarHBondContact O-N 3.34Å; Y16-H18 VanDerWaalsContact C-N 3.35Å; Y16-H18 PolarHBondContact O-N 2.91Å; H18-F20 VanDerWaalsContact C-N 3.32Å; H18-F20 PolarHBondContact O-N 3.38Å; H18-T21 WeakPolarHBondContact CA-OG1 3.3Å; H18-T21 PolarHBondContact O-N 3.02Å; H18-T21 PolarHBondContact O-OG1 3.3Å; H18-L22 WeakPolarHBondContact O-CG 3.32Å; H18-L22 PolarHBondContact O-N 3.28Å
19	L	91.9	Very high	84.9	Confident	90 Å²	90	112.5 Å²	112.5	47%	0.471	54%	0.537	S	S	.	.	H	α-helix	trans	-61.4	-41.3	176.8	-68.6	173.7	0	0	0	111.8	I15 Y16 L22 L23	I15-L19 HydrophobicContact CG1-CD1 4.25Å; I15-L19 HydrophobicContact CG1-CG 4.37Å; I15-L19 VanDerWaalsContact O-CG 3.3Å; I15-L19 WeakPolarHBondContact O-CG 3.01Å; I15-L19 PolarHBondContact O-N 3.5Å; Y16-L19 PolarHBondContact O-N 2.89Å; L19-L22 PolarHBondContact O-N 2.97Å; L19-L23 WeakPolarHBondContact O-CG 3.27Å; L19-L23 PolarHBondContact O-N 3.47Å
20	F	94.1	Very high	85.8	Confident	132 Å²	132	106.4 Å²	106.4	58%	0.579	52%	0.522	S	S	*	.	H	α-helix	trans	-62.6	-43.3	176.7	-174.6	-108.4	0	0	0	112.1	Y16 Y17 H18 L22 L23 I24	Y16-F20 WeakPolarHBondContact O-CB 3.49Å; Y16-F20 PolarHBondContact O-N 3.28Å; Y17-F20 PolarHBondContact O-N 3.48Å; H18-F20 VanDerWaalsContact C-N 3.32Å; H18-F20 PolarHBondContact O-N 3.38Å; F20-L22 VanDerWaalsContact C-N 3.34Å; F20-L22 PolarHBondContact O-N 3.45Å; F20-L23 PolarHBondContact O-N 3.02Å; F20-I24 HydrophobicContact CD1-CD1 3.64Å; F20-I24 HydrophobicContact CE1-CD1 3.3Å; F20-I24 HydrophobicContact CE1-CG1 4.32Å; F20-I24 HydrophobicContact CE2-CD1 4.47Å; F20-I24 HydrophobicContact CG-CD1 4.38Å; F20-I24 HydrophobicContact CZ-CD1 3.76Å; F20-I24 HydrophobicContact CZ-CG1 4.4Å; F20-I24 WeakPolarHBondContact O-CG1 3.45Å; F20-I24 PolarHBondContact O-N 2.72Å
21	T	92.3	Very high	86.6	Confident	76 Å²	76	107.4 Å²	107.4	47%	0.466	53%	0.528	S	S	.	.	H	α-helix	trans	-63.9	-37	175.5	57.2	0	0	0	0	112.9	Y17 H18 I24 L25	Y17-T21 WeakPolarHBondContact O-CG2 3.44Å; Y17-T21 PolarHBondContact O-N 3.32Å; Y17-T21 PolarHBondContact O-OG1 2.96Å; H18-T21 WeakPolarHBondContact CA-OG1 3.3Å; H18-T21 PolarHBondContact O-N 3.02Å; H18-T21 PolarHBondContact O-OG1 3.3Å; T21-I24 PolarHBondContact O-N 2.92Å; T21-L25 WeakPolarHBondContact O-CB 3.42Å; T21-L25 PolarHBondContact O-N 3.27Å
22	L	93.7	Very high	86.9	Confident	99 Å²	99	103.9 Å²	103.9	52%	0.518	51%	0.509	S	S	.	.	H	α-helix	trans	-67.4	-40.1	175.5	-71.2	175.3	0	0	0	111.9	H18 L19 F20 L25 I26	H18-L22 WeakPolarHBondContact O-CG 3.32Å; H18-L22 PolarHBondContact O-N 3.28Å; L19-L22 PolarHBondContact O-N 2.97Å; F20-L22 VanDerWaalsContact C-N 3.34Å; F20-L22 PolarHBondContact O-N 3.45Å; L22-L25 PolarHBondContact O-N 3.28Å; L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.4Å; L22-I26 PolarHBondContact O-N 3.02Å
23	L	94.4	Very high	86.3	Confident	100 Å²	100	106.2 Å²	106.2	52%	0.524	51%	0.509	S	S	.	.	H	α-helix	trans	-62.8	-43.2	175.2	-72.6	173	0	0	0	111.9	L19 F20 L25 I26 H27	L19-L23 WeakPolarHBondContact O-CG 3.27Å; L19-L23 PolarHBondContact O-N 3.47Å; F20-L23 PolarHBondContact O-N 3.02Å; L23-L25 VanDerWaalsContact C-N 3.32Å; L23-L25 PolarHBondContact O-N 2.9Å; L23-I26 PolarHBondContact O-N 2.98Å; L23-H27 PolarHBondContact O-CD2 2.93Å; L23-H27 VanDerWaalsContact O-CD2 3.29Å; L23-H27 PolarHBondContact O-N 3.36Å
24	I	93.6	Very high	85.4	Confident	91 Å²	91	101.5 Å²	101.5	47%	0.467	50%	0.499	S	S	.	.	H	α-helix	trans	-60.2	-43.7	174.4	-69.4	166.2	0	0	0	110.8	F20 T21 H27 Y28	F20-I24 HydrophobicContact CD1-CD1 3.64Å; F20-I24 HydrophobicContact CE1-CD1 3.3Å; F20-I24 HydrophobicContact CE1-CG1 4.32Å; F20-I24 HydrophobicContact CE2-CD1 4.47Å; F20-I24 HydrophobicContact CG-CD1 4.38Å; F20-I24 HydrophobicContact CZ-CD1 3.76Å; F20-I24 HydrophobicContact CZ-CG1 4.4Å; F20-I24 WeakPolarHBondContact O-CG1 3.45Å; F20-I24 PolarHBondContact O-N 2.72Å; T21-I24 PolarHBondContact O-N 2.92Å; I24-H27 PolarHBondContact O-N 3.35Å; I24-Y28 WeakPolarHBondContact O-CB 3.23Å; I24-Y28 PolarHBondContact O-N 3.46Å
25	L	93.6	Very high	83.9	Confident	96 Å²	96	105.1 Å²	105.1	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-64.8	-40.4	179.8	-172	127.3	0	0	0	112	T21 L22 L23 Y28 I29	T21-L25 WeakPolarHBondContact O-CB 3.42Å; T21-L25 PolarHBondContact O-N 3.27Å; L22-L25 PolarHBondContact O-N 3.28Å; L23-L25 VanDerWaalsContact C-N 3.32Å; L23-L25 PolarHBondContact O-N 2.9Å; L25-Y28 PolarHBondContact O-N 3.32Å; L25-I29 HydrophobicContact CD2-CD1 3.62Å; L25-I29 HydrophobicContact CG-CD1 4.24Å; L25-I29 WeakPolarHBondContact O-CB 3.44Å; L25-I29 VanDerWaalsContact O-CG1 3.23Å; L25-I29 WeakPolarHBondContact O-CG1 3.44Å; L25-I29 PolarHBondContact O-N 3.29Å
26	I	90.3	Very high	82.3	Confident	103 Å²	103	108 Å²	108	53%	0.528	52%	0.517	S	S	.	.	H	α-helix	trans	-63.3	-45.3	174.7	-68.1	163.1	0	0	0	110.6	L22 L23 Y28 I29 D30	L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.4Å; L22-I26 PolarHBondContact O-N 3.02Å; L23-I26 PolarHBondContact O-N 2.98Å; I26-Y28 VanDerWaalsContact C-N 3.32Å; I26-Y28 PolarHBondContact O-N 3.24Å; I26-I29 PolarHBondContact O-N 3.41Å; I26-D30 PolarHBondContact O-N 2.89Å
27	H	87.7	Confident	80.3	Confident	135 Å²	135	104.6 Å²	104.6	63%	0.625	51%	0.51	S	S	*	.	H	α-helix	trans	-62.3	-38.2	175.9	-85.6	-65.8	0	0	0	112.9	L23 I24 D30 Q31	L23-H27 PolarHBondContact O-CD2 2.93Å; L23-H27 VanDerWaalsContact O-CD2 3.29Å; L23-H27 PolarHBondContact O-N 3.36Å; I24-H27 PolarHBondContact O-N 3.35Å; H27-D30 PolarHBondContact O-N 2.82Å; H27-Q31 WeakPolarHBondContact O-CB 3.29Å; H27-Q31 PolarHBondContact O-N 2.73Å
28	Y	88.9	Confident	78.2	Confident	143 Å²	143	98.1 Å²	98.1	56%	0.561	49%	0.49	S	S	*	.	H	α-helix	trans	-66	-42.3	175.7	-178.6	-107.8	0	0	0	111.8	I24 L25 I26 Q31 I32	I24-Y28 WeakPolarHBondContact O-CB 3.23Å; I24-Y28 PolarHBondContact O-N 3.46Å; L25-Y28 PolarHBondContact O-N 3.32Å; I26-Y28 VanDerWaalsContact C-N 3.32Å; I26-Y28 PolarHBondContact O-N 3.24Å; Y28-Q31 PolarHBondContact O-N 3.28Å; Y28-I32 HydrophobicContact CD1-CD1 3.83Å; Y28-I32 HydrophobicContact CE1-CD1 3.29Å; Y28-I32 HydrophobicContact CE1-CG1 4.41Å; Y28-I32 HydrophobicContact CE2-CD1 4.12Å; Y28-I32 HydrophobicContact CG-CD1 4.46Å; Y28-I32 VanDerWaalsContact CZ-CD1 3.46Å; Y28-I32 WeakPolarHBondContact O-CB 3.2Å; Y28-I32 WeakPolarHBondContact O-CG1 3.5Å; Y28-I32 PolarHBondContact O-N 3.03Å
29	I	82.6	Confident	76.1	Confident	76 Å²	76	98.2 Å²	98.2	39%	0.39	49%	0.486	S	S	.	.	H	α-helix	trans	-61.6	-45.7	174.5	-72.7	173.3	0	0	0	110.2	L25 I26 I32 H33	L25-I29 HydrophobicContact CD2-CD1 3.62Å; L25-I29 HydrophobicContact CG-CD1 4.24Å; L25-I29 WeakPolarHBondContact O-CB 3.44Å; L25-I29 VanDerWaalsContact O-CG1 3.23Å; L25-I29 WeakPolarHBondContact O-CG1 3.44Å; L25-I29 PolarHBondContact O-N 3.29Å; I26-I29 PolarHBondContact O-N 3.41Å; I29-I32 PolarHBondContact O-N 3.44Å; I29-H33 WeakPolarHBondContact CG2-CE1 3.14Å; I29-H33 WeakPolarHBondContact CG2-ND1 3.48Å; I29-H33 WeakPolarHBondContact O-CB 3.35Å; I29-H33 PolarHBondContact O-N 2.93Å; I29-H33 PolarHBondContact O-ND1 3.42Å
30	D	79.8	Confident	73.8	Confident	106 Å²	106	102 Å²	102	57%	0.567	50%	0.499	S	S	*	.	H	α-helix	trans	-64.4	-40.5	178.4	-169.9	46.2	0	0	0	112.3	I26 H27 I32 H33 G34	I26-D30 PolarHBondContact O-N 2.89Å; H27-D30 PolarHBondContact O-N 2.82Å; D30-I32 VanDerWaalsContact C-N 3.29Å; D30-I32 PolarHBondContact O-N 2.96Å; D30-H33 PolarHBondContact O-N 3.39Å; D30-G34 PolarHBondContact O-N 3.27Å
31	Q	78.7	Confident	71.4	Confident	139 Å²	139	102.5 Å²	102.5	65%	0.65	50%	0.497	S	S	*	.	H	α-helix	trans	-59.6	-41.4	173.5	-176.6	172.2	46.8	0	0	111.9	H27 Y28 Q35	H27-Q31 WeakPolarHBondContact O-CB 3.29Å; H27-Q31 PolarHBondContact O-N 2.73Å; Y28-Q31 PolarHBondContact O-N 3.28Å; Q31-Q35 PolarHBondContact O-N 3.44Å
32	I	72.7	Confident	68.7	Low	49 Å²	49	106.2 Å²	106.2	25%	0.251	50%	0.502	S	S	.	.	H	α-helix	trans	-67.8	-42.9	175.5	-74.2	-179.8	0	0	0	111.2	Y28 I29 D30 Q35 Y36	Y28-I32 HydrophobicContact CD1-CD1 3.83Å; Y28-I32 HydrophobicContact CE1-CD1 3.29Å; Y28-I32 HydrophobicContact CE1-CG1 4.41Å; Y28-I32 HydrophobicContact CE2-CD1 4.12Å; Y28-I32 HydrophobicContact CG-CD1 4.46Å; Y28-I32 VanDerWaalsContact CZ-CD1 3.46Å; Y28-I32 WeakPolarHBondContact O-CB 3.2Å; Y28-I32 WeakPolarHBondContact O-CG1 3.5Å; Y28-I32 PolarHBondContact O-N 3.03Å; I29-I32 PolarHBondContact O-N 3.44Å; D30-I32 VanDerWaalsContact C-N 3.29Å; D30-I32 PolarHBondContact O-N 2.96Å; I32-Q35 WeakPolarHBondContact O-CB 3.45Å; I32-Q35 PolarHBondContact O-N 3.26Å; I32-Y36 HydrophobicContact CG2-CD2 3.43Å; I32-Y36 VanDerWaalsContact CG2-CD2 3.43Å; I32-Y36 HydrophobicContact CG2-CE2 3.16Å; I32-Y36 WeakPolarHBondContact O-CD2 3.38Å; I32-Y36 PolarHBondContact O-N 3.37Å
33	H	62.8	Low	66.1	Low	90 Å²	90	105.9 Å²	105.9	42%	0.417	50%	0.501	S	S	.	.	H	α-helix	trans	-68.1	-38.6	179.1	-77.5	85.4	0	0	0	112.4	I29 D30 Q35 Y36 D37	I29-H33 WeakPolarHBondContact CG2-CE1 3.14Å; I29-H33 WeakPolarHBondContact CG2-ND1 3.48Å; I29-H33 WeakPolarHBondContact O-CB 3.35Å; I29-H33 PolarHBondContact O-N 2.93Å; I29-H33 PolarHBondContact O-ND1 3.42Å; D30-H33 PolarHBondContact O-N 3.39Å; H33-Q35 PolarHBondContact O-N 2.78Å; H33-Y36 CarbonylContact O-C 3.57Å; H33-Y36 PolarHBondContact O-N 2.75Å; H33-D37 WeakPolarHBondContact O-CB 3.44Å; H33-D37 PolarHBondContact O-N 3.03Å
34	G	58.4	Low	63.7	Low	43 Å²	43	106.2 Å²	106.2	44%	0.443	50%	0.503	S	S	.	.	H	α-helix	trans	-58.5	-34.9	173.4	0	0	0	0	0	112	D30 S38	D30-G34 PolarHBondContact O-N 3.27Å; G34-S38 VanDerWaalsContact O-CB 3.24Å; G34-S38 WeakPolarHBondContact O-CB 3.46Å; G34-S38 PolarHBondContact O-N 3.31Å; G34-S38 VanDerWaalsContact O-N 3.14Å
35	Q	52.7	Low	61.4	Low	114 Å²	114	108.8 Å²	108.8	53%	0.533	51%	0.514	S	S	.	.	H	α-helix	trans	-67.5	-53.3	169.1	-114.8	-170.3	-36.2	0	0	110.6	Q31 I32 H33 D37 S38 Y39	Q31-Q35 PolarHBondContact O-N 3.44Å; I32-Q35 WeakPolarHBondContact O-CB 3.45Å; I32-Q35 PolarHBondContact O-N 3.26Å; H33-Q35 PolarHBondContact O-N 2.78Å; Q35-D37 PolarHBondContact O-N 3.25Å; Q35-S38 WeakPolarHBondContact O-CB 3.41Å; Q35-S38 PolarHBondContact O-N 3.19Å; Q35-S38 VanDerWaalsContact O-N 3.1Å; Q35-Y39 VanDerWaalsContact C-CZ 3.43Å; Q35-Y39 HydrophobicContact CB-CE1 4.3Å; Q35-Y39 HydrophobicContact CB-CE2 3.88Å; Q35-Y39 VanDerWaalsContact CB-CZ 3.49Å; Q35-Y39 WeakPolarHBondContact CB-OH 3.24Å; Q35-Y39 HydrophobicContact CG-CE1 3.98Å; Q35-Y39 HydrophobicContact CG-CE2 4.37Å; Q35-Y39 VanDerWaalsContact CG-CZ 3.49Å; Q35-Y39 WeakPolarHBondContact CG-OH 3.39Å; Q35-Y39 PolarHBondContact NE2-OH 3.44Å; Q35-Y39 WeakPolarHBondContact O-CD1 2.94Å; Q35-Y39 WeakPolarHBondContact O-CD2 2.94Å; Q35-Y39 WeakPolarHBondContact O-CE1 3.44Å; Q35-Y39 WeakPolarHBondContact O-CE2 3.43Å; Q35-Y39 PolarHBondContact O-N 3.2Å; Q35-Y39 VanDerWaalsContact O-N 3.13Å; Q35-Y39 PolarHBondContact OE1-OH 2.79Å
36	Y	51.3	Low	59.1	Low	146 Å²	146	109.3 Å²	109.3	57%	0.573	52%	0.517	S	S	*	.	H	α-helix	trans	-57.4	-43	-178.9	-78.2	-65.4	0	0	0	114.3	I32 H33 Y39 K40	I32-Y36 HydrophobicContact CG2-CD2 3.43Å; I32-Y36 VanDerWaalsContact CG2-CD2 3.43Å; I32-Y36 HydrophobicContact CG2-CE2 3.16Å; I32-Y36 WeakPolarHBondContact O-CD2 3.38Å; I32-Y36 PolarHBondContact O-N 3.37Å; H33-Y36 CarbonylContact O-C 3.57Å; H33-Y36 PolarHBondContact O-N 2.75Å; Y36-Y39 VanDerWaalsContact CA-CD2 3.43Å; Y36-Y39 HydrophobicContact CD1-CD2 4.27Å; Y36-Y39 HydrophobicContact CD1-CE2 4.12Å; Y36-Y39 HydrophobicContact CG-CE2 4.44Å; Y36-Y39 PolarHBondContact O-N 2.98Å; Y36-K40 WeakPolarHBondContact O-CB 3.49Å; Y36-K40 PolarHBondContact O-N 3.17Å; Y36-K40 VanDerWaalsContact O-N 3.17Å
37	D	48.7	Very low	57	Low	91 Å²	91	107.7 Å²	107.7	49%	0.487	51%	0.509	S	S	.	.	H	α-helix	trans	-68.1	-41	176.1	-76	-24	0	0	0	110.3	H33 Q35 Y39 K40 W41	H33-D37 WeakPolarHBondContact O-CB 3.44Å; H33-D37 PolarHBondContact O-N 3.03Å; Q35-D37 PolarHBondContact O-N 3.25Å; D37-Y39 PolarHBondContact O-N 3.43Å; D37-K40 PolarHBondContact O-N 2.97Å; D37-W41 PolarHBondContact O-N 3.44Å; D37-W41 PolarHBondContact O-NE1 3.36Å
38	S	44.7	Very low	54.9	Low	32 Å²	32	107.3 Å²	107.3	22%	0.224	52%	0.517	C	S	.	.	H	α-helix	trans	-57.7	-35.7	176.9	-156.2	0	0	0	0	112.5	G34 Q35 R42	G34-S38 VanDerWaalsContact O-CB 3.24Å; G34-S38 WeakPolarHBondContact O-CB 3.46Å; G34-S38 PolarHBondContact O-N 3.31Å; G34-S38 VanDerWaalsContact O-N 3.14Å; Q35-S38 WeakPolarHBondContact O-CB 3.41Å; Q35-S38 PolarHBondContact O-N 3.19Å; Q35-S38 VanDerWaalsContact O-N 3.1Å; S38-R42 WeakPolarHBondContact O-CB 3.46Å; S38-R42 VanDerWaalsContact O-CD 3.29Å; S38-R42 WeakPolarHBondContact O-CD 3.15Å; S38-R42 VanDerWaalsContact O-CG 3.23Å; S38-R42 WeakPolarHBondContact O-CG 3.44Å; S38-R42 PolarHBondContact O-N 3.32Å; S38-R42 VanDerWaalsContact OG-CD 3.31Å; S38-R42 WeakPolarHBondContact OG-CD 2.89Å; S38-R42 PolarHBondContact OG-NH1 3.35Å
39	Y	45.1	Very low	52.6	Low	112 Å²	112	104.2 Å²	104.2	44%	0.439	52%	0.516	S	S	.	.	H	α-helix	trans	-81	-22.2	175.4	-25	-65	0	0	0	113.7	Q35 Y36 D37 N43	Q35-Y39 VanDerWaalsContact C-CZ 3.43Å; Q35-Y39 HydrophobicContact CB-CE1 4.3Å; Q35-Y39 HydrophobicContact CB-CE2 3.88Å; Q35-Y39 VanDerWaalsContact CB-CZ 3.49Å; Q35-Y39 WeakPolarHBondContact CB-OH 3.24Å; Q35-Y39 HydrophobicContact CG-CE1 3.98Å; Q35-Y39 HydrophobicContact CG-CE2 4.37Å; Q35-Y39 VanDerWaalsContact CG-CZ 3.49Å; Q35-Y39 WeakPolarHBondContact CG-OH 3.39Å; Q35-Y39 PolarHBondContact NE2-OH 3.44Å; Q35-Y39 WeakPolarHBondContact O-CD1 2.94Å; Q35-Y39 WeakPolarHBondContact O-CD2 2.94Å; Q35-Y39 WeakPolarHBondContact O-CE1 3.44Å; Q35-Y39 WeakPolarHBondContact O-CE2 3.43Å; Q35-Y39 PolarHBondContact O-N 3.2Å; Q35-Y39 VanDerWaalsContact O-N 3.13Å; Q35-Y39 PolarHBondContact OE1-OH 2.79Å; Y36-Y39 VanDerWaalsContact CA-CD2 3.43Å; Y36-Y39 HydrophobicContact CD1-CD2 4.27Å; Y36-Y39 HydrophobicContact CD1-CE2 4.12Å; Y36-Y39 HydrophobicContact CG-CE2 4.44Å; Y36-Y39 PolarHBondContact O-N 2.98Å; D37-Y39 PolarHBondContact O-N 3.43Å; Y39-N43 PolarHBondContact O-ND2 3.13Å
40	K	44.3	Very low	50.6	Low	168 Å²	168	107.2 Å²	107.2	73%	0.73	52%	0.523	S	S	*	.	H	α-helix	trans	-79.3	-34.6	-173.3	-168	174.7	178.6	-176.3	0	112.9	Y36 D37	Y36-K40 WeakPolarHBondContact O-CB 3.49Å; Y36-K40 PolarHBondContact O-N 3.17Å; Y36-K40 VanDerWaalsContact O-N 3.17Å; D37-K40 PolarHBondContact O-N 2.97Å
41	W	43.1	Very low	48.7	Very low	143 Å²	143	108.7 Å²	108.7	54%	0.542	53%	0.53	S	S	.	.	H	α-helix	trans	-107.9	-19.1	-179.8	66.4	-97.2	0	0	0	114.4	D37 N43 D44	D37-W41 PolarHBondContact O-N 3.44Å; D37-W41 PolarHBondContact O-NE1 3.36Å; W41-N43 PolarHBondContact O-N 3.1Å; W41-D44 WeakPolarHBondContact O-CB 3.41Å; W41-D44 PolarHBondContact O-N 3.44Å; W41-D44 VanDerWaalsContact O-N 3.07Å
42	R	35.3	Very low	47	Very low	154 Å²	154	105.9 Å²	105.9	58%	0.581	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-16.3	177.3	-69.1	172.8	102.9	172.8	5.2	113.4	S38 D44	S38-R42 WeakPolarHBondContact O-CB 3.46Å; S38-R42 VanDerWaalsContact O-CD 3.29Å; S38-R42 WeakPolarHBondContact O-CD 3.15Å; S38-R42 VanDerWaalsContact O-CG 3.23Å; S38-R42 WeakPolarHBondContact O-CG 3.44Å; S38-R42 PolarHBondContact O-N 3.32Å; S38-R42 VanDerWaalsContact OG-CD 3.31Å; S38-R42 WeakPolarHBondContact OG-CD 2.89Å; S38-R42 PolarHBondContact OG-NH1 3.35Å; R42-D44 VanDerWaalsContact C-N 3.29Å
43	N	40	Very low	45.8	Very low	92 Å²	92	110.9 Å²	110.9	49%	0.492	55%	0.55	S	S	.	.	H	α-helix	trans	-74.6	-17.1	168.5	-70.7	-39	0	0	0	112.7	Y39 W41 Q45 D46 D47	Y39-N43 PolarHBondContact O-ND2 3.13Å; W41-N43 PolarHBondContact O-N 3.1Å; N43-Q45 PolarHBondContact O-N 3.14Å; N43-D46 CarbonylContact O-C 3.28Å; N43-D46 PolarHBondContact O-N 3.37Å; N43-D47 WeakPolarHBondContact O-CB 3.26Å; N43-D47 PolarHBondContact O-N 3.31Å
44	D	43.1	Very low	44.8	Very low	107 Å²	107	109.8 Å²	109.8	57%	0.572	55%	0.547	S	S	*	.	H	α-helix	trans	-69	-21.4	179	-74.8	-31.8	0	0	0	112.8	W41 R42	W41-D44 WeakPolarHBondContact O-CB 3.41Å; W41-D44 PolarHBondContact O-N 3.44Å; W41-D44 VanDerWaalsContact O-N 3.07Å; R42-D44 VanDerWaalsContact C-N 3.29Å
45	Q	46	Very low	44.1	Very low	145 Å²	145	114.7 Å²	114.7	68%	0.678	56%	0.556	S	S	*	*	H	α-helix	trans	-80.1	-34.3	173.3	-68.4	-168.5	-12.4	0	0	111.9	N43 D47 T48	N43-Q45 PolarHBondContact O-N 3.14Å; Q45-D47 VanDerWaalsContact C-N 3.29Å; Q45-T48 PolarHBondContact O-OG1 3.33Å
46	D	45.8	Very low	43.7	Very low	108 Å²	108	116.6 Å²	116.6	58%	0.578	57%	0.567	S	S	*	*	H	α-helix	trans	-78	-14.4	171.8	-72.9	-23.4	0	0	0	112.2	N43 T48 S49	N43-D46 CarbonylContact O-C 3.28Å; N43-D46 PolarHBondContact O-N 3.37Å; D46-T48 PolarHBondContact O-N 3.25Å; D46-S49 VanDerWaalsContact O-CA 3.23Å; D46-S49 WeakPolarHBondContact O-CA 3.49Å; D46-S49 WeakPolarHBondContact O-CB 3.34Å; D46-S49 PolarHBondContact O-N 2.76Å; D46-S49 PolarHBondContact O-OG 3.43Å
47	D	44.7	Very low	43.7	Very low	68 Å²	68	112 Å²	112	36%	0.364	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-74.1	-7.2	173	-84.5	-4.8	0	0	0	113.4	N43 Q45 S49 Y50	N43-D47 WeakPolarHBondContact O-CB 3.26Å; N43-D47 PolarHBondContact O-N 3.31Å; Q45-D47 VanDerWaalsContact C-N 3.29Å; D47-S49 PolarHBondContact O-N 2.99Å; D47-Y50 HydrophobicContact CB-CD2 3.73Å; D47-Y50 HydrophobicContact CB-CE2 4.04Å; D47-Y50 WeakPolarHBondContact O-CB 3.4Å; D47-Y50 PolarHBondContact O-N 2.91Å; D47-Y50 WeakPolarHBondContact OD1-CD2 3.45Å; D47-Y50 WeakPolarHBondContact OD1-CE2 3.4Å; D47-Y50 WeakPolarHBondContact OD2-CE2 3.39Å
48	T	44.1	Very low	43.7	Very low	128 Å²	128	111.7 Å²	111.7	79%	0.785	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-68.5	-12	158.6	61.7	0	0	0	0	112.4	Q45 D46	Q45-T48 PolarHBondContact O-OG1 3.33Å; D46-T48 PolarHBondContact O-N 3.25Å
49	S	40.7	Very low	43.8	Very low	78 Å²	78	115.8 Å²	115.8	55%	0.545	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-94.8	16	164.6	89.4	0	0	0	0	113.7	D46 D47 I51	D46-S49 VanDerWaalsContact O-CA 3.23Å; D46-S49 WeakPolarHBondContact O-CA 3.49Å; D46-S49 WeakPolarHBondContact O-CB 3.34Å; D46-S49 PolarHBondContact O-N 2.76Å; D46-S49 PolarHBondContact O-OG 3.43Å; D47-S49 PolarHBondContact O-N 2.99Å; S49-I51 WeakPolarHBondContact O-CG1 3.45Å; S49-I51 PolarHBondContact O-N 3.42Å
50	Y	41.4	Very low	44.1	Very low	138 Å²	138	113.8 Å²	113.8	54%	0.541	57%	0.57	S	S	.	*	S	Bend	trans	-59.1	85.4	144.2	-91.3	-83.3	0	0	0	105.7	D47 P52	D47-Y50 HydrophobicContact CB-CD2 3.73Å; D47-Y50 HydrophobicContact CB-CE2 4.04Å; D47-Y50 WeakPolarHBondContact O-CB 3.4Å; D47-Y50 PolarHBondContact O-N 2.91Å; D47-Y50 WeakPolarHBondContact OD1-CD2 3.45Å; D47-Y50 WeakPolarHBondContact OD1-CE2 3.4Å; D47-Y50 WeakPolarHBondContact OD2-CE2 3.39Å; Y50-P52 VanDerWaalsContact C-N 3.3Å; Y50-P52 WeakPolarHBondContact O-CD 3.4Å
51	I	38	Very low	44.5	Very low	138 Å²	138	112 Å²	112	71%	0.708	57%	0.568	S	S	*	*			trans	-47.6	101.8	170.6	-66.7	155	0	0	0	103	S49 L53	S49-I51 WeakPolarHBondContact O-CG1 3.45Å; S49-I51 PolarHBondContact O-N 3.42Å; I51-L53 PolarHBondContact O-N 2.94Å
52	P	44	Very low	45	Very low	79 Å²	79	111.2 Å²	111.2	51%	0.513	57%	0.573	S	S	.	*			trans	-59.8	119.5	170.7	25.5	-28.8	0	0	0	102.8	Y50 N54 K55	Y50-P52 VanDerWaalsContact C-N 3.3Å; Y50-P52 WeakPolarHBondContact O-CD 3.4Å; P52-N54 CarbonylContact O-C 3.51Å; P52-N54 WeakPolarHBondContact O-CA 3.22Å; P52-N54 PolarHBondContact O-N 2.78Å; P52-K55 HydrophobicContact CG-CG 4.36Å; P52-K55 PolarHBondContact O-N 3Å
53	L	47.6	Very low	45.5	Very low	154 Å²	154	109.9 Å²	109.9	81%	0.806	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-26.6	94.3	178.4	-177	68.4	0	0	0	108.5	I51	I51-L53 PolarHBondContact O-N 2.94Å
54	N	41.8	Very low	45.8	Very low	68 Å²	68	112 Å²	112	36%	0.364	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	10.8	99.7	-167	173.8	33.1	0	0	0	115.8	P52 M56 T57 I58	P52-N54 CarbonylContact O-C 3.51Å; P52-N54 WeakPolarHBondContact O-CA 3.22Å; P52-N54 PolarHBondContact O-N 2.78Å; N54-M56 PolarHBondContact O-N 3.17Å; N54-M56 VanDerWaalsContact O-N 3.12Å; N54-M56 WeakPolarHBondContact OD1-CA 3.39Å; N54-M56 WeakPolarHBondContact OD1-CB 3.31Å; N54-M56 PolarHBondContact OD1-N 2.94Å; N54-T57 WeakPolarHBondContact CB-OG1 3.34Å; N54-T57 WeakPolarHBondContact ND2-CB 3.06Å; N54-T57 WeakPolarHBondContact ND2-CG2 3.39Å; N54-T57 PolarHBondContact ND2-N 2.92Å; N54-T57 PolarHBondContact ND2-OG1 3.37Å; N54-T57 WeakPolarHBondContact O-CA 3.29Å; N54-T57 WeakPolarHBondContact O-CB 3.22Å; N54-T57 PolarHBondContact O-N 3.46Å; N54-T57 PolarHBondContact O-OG1 3.07Å; N54-T57 PolarHBondContact OD1-N 3.38Å; N54-I58 PolarHBondContact O-N 3.43Å
55	K	43.8	Very low	46.1	Very low	145 Å²	145	113.5 Å²	113.5	63%	0.63	59%	0.592	S	S	*	*	H	α-helix	trans	-51.2	-30.6	165.2	-104	-169.3	-176.9	-174.2	0	111.4	P52 I58 H59	P52-K55 HydrophobicContact CG-CG 4.36Å; P52-K55 PolarHBondContact O-N 3Å; K55-I58 PolarHBondContact O-N 3.08Å; K55-H59 PolarHBondContact O-CD2 3.39Å; K55-H59 PolarHBondContact O-N 2.85Å
56	M	45	Very low	46.1	Very low	154 Å²	154	111.2 Å²	111.2	76%	0.759	59%	0.585	S	S	*	*	H	α-helix	trans	-65.7	-34.9	172.4	-141.1	179.1	178.8	0	0	111.7	N54 S60	N54-M56 PolarHBondContact O-N 3.17Å; N54-M56 VanDerWaalsContact O-N 3.12Å; N54-M56 WeakPolarHBondContact OD1-CA 3.39Å; N54-M56 WeakPolarHBondContact OD1-CB 3.31Å; N54-M56 PolarHBondContact OD1-N 2.94Å; M56-S60 WeakPolarHBondContact O-CB 3.47Å; M56-S60 PolarHBondContact O-N 3.29Å; M56-S60 PolarHBondContact O-OG 2.97Å
57	T	50.4	Low	46.2	Very low	50 Å²	50	114.7 Å²	114.7	31%	0.307	60%	0.597	S	S	.	*	H	α-helix	trans	-71.7	-35.8	171.1	16.2	0	0	0	0	112	N54 S60 L61	N54-T57 WeakPolarHBondContact CB-OG1 3.34Å; N54-T57 WeakPolarHBondContact ND2-CB 3.06Å; N54-T57 WeakPolarHBondContact ND2-CG2 3.39Å; N54-T57 PolarHBondContact ND2-N 2.92Å; N54-T57 PolarHBondContact ND2-OG1 3.37Å; N54-T57 WeakPolarHBondContact O-CA 3.29Å; N54-T57 WeakPolarHBondContact O-CB 3.22Å; N54-T57 PolarHBondContact O-N 3.46Å; N54-T57 PolarHBondContact O-OG1 3.07Å; N54-T57 PolarHBondContact OD1-N 3.38Å; T57-S60 VanDerWaalsContact CA-OG 3.3Å; T57-S60 WeakPolarHBondContact CA-OG 3.23Å; T57-S60 PolarHBondContact O-N 3.24Å; T57-S60 PolarHBondContact O-OG 3.44Å; T57-S60 VanDerWaalsContact O-OG 3.06Å; T57-L61 WeakPolarHBondContact O-CB 3.29Å; T57-L61 WeakPolarHBondContact O-CD1 3.19Å; T57-L61 WeakPolarHBondContact O-CG 3.44Å; T57-L61 PolarHBondContact O-N 3.5Å
58	I	49.6	Very low	46.4	Very low	84 Å²	84	116 Å²	116	43%	0.431	61%	0.607	S	S	.	*	H	α-helix	trans	-68.4	-41.2	179.5	-62.7	-179.5	0	0	0	109.7	N54 K55 L61 L62	N54-I58 PolarHBondContact O-N 3.43Å; K55-I58 PolarHBondContact O-N 3.08Å; I58-L61 PolarHBondContact O-N 2.95Å; I58-L62 HydrophobicContact CG2-CD1 3.48Å; I58-L62 VanDerWaalsContact CG2-CD1 3.48Å; I58-L62 HydrophobicContact CG2-CG 4.2Å; I58-L62 VanDerWaalsContact O-CB 3.24Å; I58-L62 WeakPolarHBondContact O-CB 3.41Å; I58-L62 VanDerWaalsContact O-CG 3.29Å; I58-L62 WeakPolarHBondContact O-CG 3.48Å; I58-L62 PolarHBondContact O-N 2.91Å
59	H	46	Very low	46.7	Very low	118 Å²	118	118.3 Å²	118.3	55%	0.546	62%	0.615	S	S	.	*	H	α-helix	trans	-65.6	-37.4	172.3	-72.8	-65.7	0	0	0	112.3	K55 N63	K55-H59 PolarHBondContact O-CD2 3.39Å; K55-H59 PolarHBondContact O-N 2.85Å; H59-N63 VanDerWaalsContact O-CB 3.25Å; H59-N63 WeakPolarHBondContact O-CB 3.42Å; H59-N63 PolarHBondContact O-N 3.09Å
60	S	51.7	Low	47	Very low	70 Å²	70	121.8 Å²	121.8	49%	0.49	63%	0.627	S	S	.	*	H	α-helix	trans	-71.8	-33.3	175.5	69.8	0	0	0	0	113.4	M56 T57 H64	M56-S60 WeakPolarHBondContact O-CB 3.47Å; M56-S60 PolarHBondContact O-N 3.29Å; M56-S60 PolarHBondContact O-OG 2.97Å; T57-S60 VanDerWaalsContact CA-OG 3.3Å; T57-S60 WeakPolarHBondContact CA-OG 3.23Å; T57-S60 PolarHBondContact O-N 3.24Å; T57-S60 PolarHBondContact O-OG 3.44Å; T57-S60 VanDerWaalsContact O-OG 3.06Å; S60-H64 PolarHBondContact O-N 3.4Å
61	L	52.5	Low	47.1	Very low	132 Å²	132	118.1 Å²	118.1	69%	0.691	63%	0.632	S	S	*	*	H	α-helix	trans	-72.9	-32.4	174.9	-74.1	168.2	0	0	0	112.2	T57 I58	T57-L61 WeakPolarHBondContact O-CB 3.29Å; T57-L61 WeakPolarHBondContact O-CD1 3.19Å; T57-L61 WeakPolarHBondContact O-CG 3.44Å; T57-L61 PolarHBondContact O-N 3.5Å; I58-L61 PolarHBondContact O-N 2.95Å
62	L	52.7	Low	47.4	Very low	125 Å²	125	122 Å²	122	65%	0.654	64%	0.638	S	S	*	*	H	α-helix	trans	-87.3	-30.8	178.4	-71.9	168.3	0	0	0	113.3	I58 H64	I58-L62 HydrophobicContact CG2-CD1 3.48Å; I58-L62 VanDerWaalsContact CG2-CD1 3.48Å; I58-L62 HydrophobicContact CG2-CG 4.2Å; I58-L62 VanDerWaalsContact O-CB 3.24Å; I58-L62 WeakPolarHBondContact O-CB 3.41Å; I58-L62 VanDerWaalsContact O-CG 3.29Å; I58-L62 WeakPolarHBondContact O-CG 3.48Å; I58-L62 PolarHBondContact O-N 2.91Å; L62-H64 VanDerWaalsContact C-N 3.34Å
63	N	47.4	Very low	47.3	Very low	126 Å²	126	127.3 Å²	127.3	67%	0.674	65%	0.653	S	S	*	*	S	Bend	trans	-87.6	4.5	176.9	-88.6	4.6	0	0	0	114.1	H59 N65	H59-N63 VanDerWaalsContact O-CB 3.25Å; H59-N63 WeakPolarHBondContact O-CB 3.42Å; H59-N63 PolarHBondContact O-N 3.09Å; N63-N65 PolarHBondContact O-N 2.96Å
64	H	45.7	Very low	47.3	Very low	138 Å²	138	124.9 Å²	124.9	64%	0.639	64%	0.64	S	S	*	*			trans	-78.3	82.5	167.8	-137.9	58.7	0	0	0	109	S60 L62 D66	S60-H64 PolarHBondContact O-N 3.4Å; L62-H64 VanDerWaalsContact C-N 3.34Å; H64-D66 IonicContact CD2-OD2 3.86Å; H64-D66 IonicContact NE2-OD2 3.83Å; H64-D66 PolarHBondContact O-N 3.4Å
65	N	49.5	Very low	47.8	Very low	138 Å²	138	127.8 Å²	127.8	74%	0.738	65%	0.654	S	S	*	*			trans	-66.5	67.7	162.5	-69.8	-31.3	0	0	0	108.5	N63 H67	N63-N65 PolarHBondContact O-N 2.96Å; N65-H67 PolarHBondContact O-N 2.73Å
66	D	46.6	Very low	47.8	Very low	96 Å²	96	129.7 Å²	129.7	51%	0.513	66%	0.662	S	S	.	*			trans	-86.7	93.3	173	-154.1	-20.3	0	0	0	108.3	H64 T68	H64-D66 IonicContact CD2-OD2 3.86Å; H64-D66 IonicContact NE2-OD2 3.83Å; H64-D66 PolarHBondContact O-N 3.4Å; D66-T68 PolarHBondContact O-N 3Å; D66-T68 VanDerWaalsContact OD1-CG2 3.29Å; D66-T68 WeakPolarHBondContact OD1-CG2 3.5Å; D66-T68 PolarHBondContact OD1-OG1 3.23Å
67	H	46.3	Very low	48	Very low	182 Å²	182	128.1 Å²	128.1	84%	0.843	66%	0.661	S	S	*	*			trans	-68.8	71.9	163.4	-79.9	-71.9	0	0	0	109.2	N65	N65-H67 PolarHBondContact O-N 2.73Å
68	T	49	Very low	48	Very low	94 Å²	94	135.2 Å²	135.2	58%	0.577	68%	0.682	S	S	*	*			trans	-123.7	100.2	166.8	38.8	0	0	0	0	109.2	D66 D70	D66-T68 PolarHBondContact O-N 3Å; D66-T68 VanDerWaalsContact OD1-CG2 3.29Å; D66-T68 WeakPolarHBondContact OD1-CG2 3.5Å; D66-T68 PolarHBondContact OD1-OG1 3.23Å; T68-D70 PolarHBondContact O-N 3.3Å
69	N	51	Low	48.1	Very low	177 Å²	177	136 Å²	136	95%	0.947	70%	0.701	S	S	*	*			trans	-67.1	70.9	166.3	-107.9	-43.8	0	0	0	108.6
70	D	46.3	Very low	48.7	Very low	151 Å²	151	134 Å²	134	81%	0.807	70%	0.697	S	S	*	*			trans	-151	131.7	166.1	-140.3	-18.9	0	0	0	112.2	T68	T68-D70 PolarHBondContact O-N 3.3Å
71	G	43.6	Very low	49.5	Very low	62 Å²	62	138.3 Å²	138.3	64%	0.639	71%	0.71	S	S	*	*			trans	49.9	82.1	166.6	0	0	0	0	0	115.4	K73	G71-K73 PolarHBondContact O-N 2.89Å
72	R	44.1	Very low	50.4	Low	220 Å²	220	135.6 Å²	135.6	83%	0.83	70%	0.695	S	S	*	*			trans	-26.4	82.8	154.1	-175.7	179.4	-164.1	-172.3	1	111.8	I74	R72-I74 VanDerWaalsContact CD-CD1 3.47Å; R72-I74 HydrophobicContact CG-CD1 3.6Å; R72-I74 HydrophobicContact CG-CG1 3.56Å; R72-I74 VanDerWaalsContact NE-CD1 3.26Å; R72-I74 PolarHBondContact O-N 3.46Å
73	K	43.9	Very low	51.7	Low	189 Å²	189	133.9 Å²	133.9	82%	0.822	69%	0.689	S	S	*	*			trans	-73.5	70.8	162.8	-172.7	-175.8	-179.6	-172.9	0	104.1	G71 I75	G71-K73 PolarHBondContact O-N 2.89Å; K73-I75 PolarHBondContact O-N 3.06Å
74	I	47.1	Very low	53.4	Low	104 Å²	104	131.3 Å²	131.3	53%	0.533	68%	0.68	S	S	.	*			trans	-52.8	101.8	153	-72.3	145.3	0	0	0	101.7	R72 K76	R72-I74 VanDerWaalsContact CD-CD1 3.47Å; R72-I74 HydrophobicContact CG-CD1 3.6Å; R72-I74 HydrophobicContact CG-CG1 3.56Å; R72-I74 VanDerWaalsContact NE-CD1 3.26Å; R72-I74 PolarHBondContact O-N 3.46Å; I74-K76 PolarHBondContact O-N 3.07Å
75	I	50.8	Low	55.1	Low	128 Å²	128	126.1 Å²	126.1	66%	0.656	66%	0.658	S	S	*	*			trans	-44.8	105.4	157.3	-63.5	166.4	0	0	0	101.5	K73 T77	K73-I75 PolarHBondContact O-N 3.06Å; I75-T77 PolarHBondContact O-N 2.96Å; I75-T77 PolarHBondContact O-OG1 3.36Å
76	K	44.3	Very low	56.9	Low	185 Å²	185	128.1 Å²	128.1	80%	0.804	66%	0.663	S	S	*	*			trans	-63.4	84.6	165.8	-76.8	-179	178.9	177.5	0	101.7	I74 R78	I74-K76 PolarHBondContact O-N 3.07Å; K76-R78 PolarHBondContact O-N 2.73Å
77	T	49.7	Very low	58.9	Low	121 Å²	121	132.2 Å²	132.2	74%	0.742	67%	0.672	S	S	*	*			trans	-62.2	73.4	150.5	-38.2	0	0	0	0	101.9	I75 A79	I75-T77 PolarHBondContact O-N 2.96Å; I75-T77 PolarHBondContact O-OG1 3.36Å; T77-A79 VanDerWaalsContact C-N 3.29Å; T77-A79 PolarHBondContact O-N 3.49Å
78	R	49.3	Very low	60.8	Low	199 Å²	199	126.1 Å²	126.1	75%	0.751	65%	0.648	S	S	*	*			trans	-41.7	114.9	154.1	41.8	171.7	-167.2	-178.7	3.9	101.4	K76 V80	K76-R78 PolarHBondContact O-N 2.73Å; R78-V80 HydrophobicContact CB-CG2 4.34Å; R78-V80 HydrophobicContact CG-CG2 3.72Å; R78-V80 PolarHBondContact O-N 3.39Å
79	A	52.4	Low	62.6	Low	100 Å²	100	131.3 Å²	131.3	83%	0.826	66%	0.663	S	S	*	*			trans	-59.3	77.1	156.4	0	0	0	0	0	103.8	T77 E81	T77-A79 VanDerWaalsContact C-N 3.29Å; T77-A79 PolarHBondContact O-N 3.49Å; A79-E81 PolarHBondContact O-N 2.99Å
80	V	59.2	Low	64.6	Low	76 Å²	76	128.5 Å²	128.5	46%	0.461	65%	0.646	S	S	.	*			trans	-55	108.3	150	-177.6	0	0	0	0	99.5	R78 I82	R78-V80 HydrophobicContact CB-CG2 4.34Å; R78-V80 HydrophobicContact CG-CG2 3.72Å; R78-V80 PolarHBondContact O-N 3.39Å; V80-I82 HydrophobicContact CB-CG1 4.48Å; V80-I82 WeakPolarHBondContact O-CG1 2.96Å; V80-I82 PolarHBondContact O-N 3.23Å
81	E	67.6	Low	66.8	Low	162 Å²	162	124 Å²	124	76%	0.757	62%	0.62	S	S	*	*			trans	-54.3	96.9	167.6	-168.2	-175.8	166.4	0	0	104.2	A79 V83	A79-E81 PolarHBondContact O-N 2.99Å; E81-V83 HydrophobicContact CB-CG2 4.25Å; E81-V83 HydrophobicContact CG-CG2 3.71Å; E81-V83 PolarHBondContact O-N 3.17Å
82	I	71	Confident	69	Low	75 Å²	75	129.8 Å²	129.8	39%	0.385	63%	0.63	S	S	.	*			trans	-75.9	87.5	-179.3	-65.4	137.2	0	0	0	102.9	V80 Y107 I110 I111	V80-I82 HydrophobicContact CB-CG1 4.48Å; V80-I82 WeakPolarHBondContact O-CG1 2.96Å; V80-I82 PolarHBondContact O-N 3.23Å; I82-Y107 HydrophobicContact CG2-CD2 3.61Å; I82-Y107 HydrophobicContact CG2-CE2 3.84Å; I82-Y107 WeakPolarHBondContact O-CE2 3.37Å; I82-I110 HydrophobicContact CD1-CG2 3.71Å; I82-I111 HydrophobicContact CB-CD1 4.1Å; I82-I111 HydrophobicContact CG2-CD1 3.76Å; I82-I111 HydrophobicContact CG2-CG1 4.14Å
83	V	80	Confident	71.3	Confident	88 Å²	88	122.7 Å²	122.7	53%	0.533	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-80.9	139.9	177	-178.2	0	0	0	0	107.6	E81 Y107	E81-V83 HydrophobicContact CB-CG2 4.25Å; E81-V83 HydrophobicContact CG-CG2 3.71Å; E81-V83 PolarHBondContact O-N 3.17Å; V83-Y107 VanDerWaalsContact C-CE2 3.49Å
84	P	82.8	Confident	73.6	Confident	72 Å²	72	117.9 Å²	117.9	47%	0.468	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-56.2	142.1	174.6	21	-32	0	0	0	110.8	E86 Y107	P84-E86 PolarHBondContact O-N 3.24Å; P84-Y107 HydrophobicContact CB-CD2 4.41Å; P84-Y107 HydrophobicContact CB-CE1 4.07Å; P84-Y107 HydrophobicContact CB-CE2 3.87Å; P84-Y107 HydrophobicContact CG-CE2 4.46Å
85	P	82.9	Confident	75.6	Confident	29 Å²	29	117.8 Å²	117.8	19%	0.188	60%	0.597	C	S	.	*	P	Polyproline II helix	trans	-60.8	133.1	177.1	26.2	-34.1	0	0	0	109.9	R87 Y100 K103 L104	P85-R87 PolarHBondContact O-N 3.44Å; P85-Y100 HydrophobicContact CB-CE2 4.37Å; P85-Y100 HydrophobicContact CG-CE2 4.38Å; P85-K103 HydrophobicContact CB-CB 3.95Å; P85-K103 HydrophobicContact CG-CB 4.17Å; P85-L104 HydrophobicContact CG-CB 4.42Å; P85-L104 HydrophobicContact CG-CD2 3.52Å; P85-L104 HydrophobicContact CG-CG 3.79Å
86	E	87.6	Confident	77.3	Confident	181 Å²	181	113.7 Å²	113.7	85%	0.846	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-64.4	131.2	179.6	-170.5	177.4	179.4	0	0	110.7	P84 Y100	P84-E86 PolarHBondContact O-N 3.24Å; E86-Y100 WeakPolarHBondContact O-CE2 3.37Å
87	R	87.4	Confident	79.6	Confident	182 Å²	182	108.3 Å²	108.3	69%	0.687	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-86.9	120.2	178.7	-175.8	-177.1	170.8	174	-0.7	109.6	P85 F91 Y100	P85-R87 PolarHBondContact O-N 3.44Å; R87-F91 HydrophobicContact CG-CZ 4.43Å; R87-Y100 HydrophobicContact CB-CE2 3.99Å; R87-Y100 WeakPolarHBondContact CB-OH 3.1Å; R87-Y100 HydrophobicContact CG-CE1 4.39Å; R87-Y100 HydrophobicContact CG-CE2 4.37Å
88	P	86.4	Confident	81.5	Confident	53 Å²	53	109 Å²	109	34%	0.344	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-67.5	149.4	171.5	30.4	-35.1	0	0	0	110.8	I90 F91	P88-I90 VanDerWaalsContact C-N 3.31Å; P88-I90 PolarHBondContact O-N 2.84Å; P88-F91 HydrophobicContact CG-CD1 3.61Å; P88-F91 HydrophobicContact CG-CE1 3.23Å; P88-F91 HydrophobicContact CG-CE2 4.37Å; P88-F91 HydrophobicContact CG-CG 4.33Å; P88-F91 HydrophobicContact CG-CZ 3.67Å
89	F	87.8	Confident	83.4	Confident	203 Å²	203	103 Å²	103	89%	0.89	54%	0.536	S	S	*	.	S	Bend	trans	-63.2	-38.7	179.6	-173.8	-106	0	0	0	112
90	I	91.5	Very high	85.2	Confident	118 Å²	118	100.1 Å²	100.1	61%	0.605	50%	0.504	S	S	*	.	S	Bend	trans	-134.4	140.7	177.4	-65.7	160.7	0	0	0	108.2	P88	P88-I90 VanDerWaalsContact C-N 3.31Å; P88-I90 PolarHBondContact O-N 2.84Å
91	F	93.3	Very high	86.7	Confident	57 Å²	57	101.1 Å²	101.1	25%	0.25	51%	0.507	C	S	.	.			trans	-95.5	106.4	168.8	-62.7	-83.5	0	0	0	108.6	R87 P88 T93 A96 L97 Y100	R87-F91 HydrophobicContact CG-CZ 4.43Å; P88-F91 HydrophobicContact CG-CD1 3.61Å; P88-F91 HydrophobicContact CG-CE1 3.23Å; P88-F91 HydrophobicContact CG-CE2 4.37Å; P88-F91 HydrophobicContact CG-CG 4.33Å; P88-F91 HydrophobicContact CG-CZ 3.67Å; F91-T93 VanDerWaalsContact C-N 3.28Å; F91-T93 PolarHBondContact O-N 2.98Å; F91-A96 HydrophobicContact CD1-CB 4.41Å; F91-L97 HydrophobicContact CB-CB 4.24Å; F91-L97 HydrophobicContact CD1-CB 4.03Å; F91-L97 HydrophobicContact CD1-CD1 4.27Å; F91-L97 HydrophobicContact CD2-CD1 3.95Å; F91-L97 HydrophobicContact CE1-CD1 4.15Å; F91-L97 HydrophobicContact CE2-CD1 3.84Å; F91-L97 HydrophobicContact CG-CB 4.06Å; F91-L97 HydrophobicContact CG-CD1 4.17Å; F91-L97 HydrophobicContact CZ-CD1 3.94Å; F91-Y100 AromaticContact CE1-CD1 3.94Å; F91-Y100 HydrophobicContact CE1-CD1 3.94Å; F91-Y100 AromaticContact CE1-CG 3.79Å; F91-Y100 HydrophobicContact CE1-CG 3.79Å; F91-Y100 AromaticContact CZ-CD1 3.58Å; F91-Y100 HydrophobicContact CZ-CD1 3.58Å; F91-Y100 HydrophobicContact CZ-CE1 4.07Å; F91-Y100 AromaticContact CZ-CG 3.87Å; F91-Y100 HydrophobicContact CZ-CG 3.87Å
92	E	89.9	Confident	87.7	Confident	183 Å²	183	99.5 Å²	99.5	86%	0.855	50%	0.499	S	S	*	.	S	Bend	trans	-68.9	-27.8	-178	-62.7	179.3	-177.7	0	0	112.7
93	T	92.9	Very high	88.4	Confident	71 Å²	71	101.5 Å²	101.5	44%	0.436	51%	0.505	S	S	.	.	S	Bend	trans	-133	150.2	-179.2	64.8	0	0	0	0	111.5	F91 E95 A96 L97	F91-T93 VanDerWaalsContact C-N 3.28Å; F91-T93 PolarHBondContact O-N 2.98Å; T93-E95 PolarHBondContact O-N 2.84Å; T93-A96 WeakPolarHBondContact O-CB 3.46Å; T93-A96 PolarHBondContact O-N 3.18Å; T93-A96 WeakPolarHBondContact OG1-CB 3.23Å; T93-A96 PolarHBondContact OG1-N 3.28Å; T93-L97 PolarHBondContact O-N 3.31Å
94	P	90.6	Very high	88.8	Confident	89 Å²	89	99 Å²	99	58%	0.578	49%	0.488	S	S	*	.	H	α-helix	trans	-62.7	-30.2	175.3	24.7	-33.8	0	0	0	112.5	A96 L97 R98	P94-A96 VanDerWaalsContact C-N 3.35Å; P94-L97 PolarHBondContact O-N 2.78Å; P94-R98 WeakPolarHBondContact O-CG 3.47Å; P94-R98 PolarHBondContact O-N 2.63Å
95	E	89	Confident	89	Confident	102 Å²	102	97.8 Å²	97.8	48%	0.477	48%	0.478	S	S	.	.	H	α-helix	trans	-68.5	-33.6	176.6	-55.4	-53.8	156	0	0	112.2	T93 R98 T99	T93-E95 PolarHBondContact O-N 2.84Å; E95-R98 PolarHBondContact O-N 2.91Å; E95-R98 IonicContact OE1-CZ 3.73Å; E95-R98 IonicContact OE1-NH1 2.78Å; E95-R98 PolarHBondContact OE1-NH1 2.7Å; E95-R98 VanDerWaalsContact OE2-CD 3.26Å; E95-R98 WeakPolarHBondContact OE2-CD 3.18Å; E95-R98 IonicContact OE2-CZ 3.82Å; E95-R98 IonicContact OE2-NE 3.95Å; E95-R98 IonicContact OE2-NH1 2.94Å; E95-R98 PolarHBondContact OE2-NH1 2.65Å; E95-T99 WeakPolarHBondContact O-CB 3.48Å; E95-T99 PolarHBondContact O-N 2.64Å; E95-T99 PolarHBondContact O-OG1 2.93Å
96	A	88.1	Confident	89	Confident	41 Å²	41	102.7 Å²	102.7	34%	0.339	50%	0.498	S	S	.	.	H	α-helix	trans	-64.8	-41.2	173.2	0	0	0	0	0	111.4	F91 T93 P94 T99 Y100	F91-A96 HydrophobicContact CD1-CB 4.41Å; T93-A96 WeakPolarHBondContact O-CB 3.46Å; T93-A96 PolarHBondContact O-N 3.18Å; T93-A96 WeakPolarHBondContact OG1-CB 3.23Å; T93-A96 PolarHBondContact OG1-N 3.28Å; P94-A96 VanDerWaalsContact C-N 3.35Å; A96-T99 PolarHBondContact O-N 2.97Å; A96-Y100 WeakPolarHBondContact O-CB 3.42Å; A96-Y100 PolarHBondContact O-N 2.57Å
97	L	91.1	Very high	88.9	Confident	73 Å²	73	96 Å²	96	38%	0.382	47%	0.465	S	S	.	.	H	α-helix	trans	-62.1	-48	174.6	176.3	62.6	0	0	0	111.3	F91 T93 P94 T99 Y100 L101	F91-L97 HydrophobicContact CB-CB 4.24Å; F91-L97 HydrophobicContact CD1-CB 4.03Å; F91-L97 HydrophobicContact CD1-CD1 4.27Å; F91-L97 HydrophobicContact CD2-CD1 3.95Å; F91-L97 HydrophobicContact CE1-CD1 4.15Å; F91-L97 HydrophobicContact CE2-CD1 3.84Å; F91-L97 HydrophobicContact CG-CB 4.06Å; F91-L97 HydrophobicContact CG-CD1 4.17Å; F91-L97 HydrophobicContact CZ-CD1 3.94Å; T93-L97 PolarHBondContact O-N 3.31Å; P94-L97 PolarHBondContact O-N 2.78Å; L97-T99 VanDerWaalsContact C-N 3.33Å; L97-T99 PolarHBondContact O-N 2.74Å; L97-Y100 PolarHBondContact O-N 3.37Å; L97-L101 HydrophobicContact CD1-CD1 4.29Å; L97-L101 HydrophobicContact CD1-CG 4.26Å; L97-L101 HydrophobicContact CG-CD1 4.16Å; L97-L101 WeakPolarHBondContact O-CG 3.36Å; L97-L101 PolarHBondContact O-N 2.74Å
98	R	91.1	Very high	88.7	Confident	135 Å²	135	90 Å²	90	51%	0.509	44%	0.444	S	S	.	.	H	α-helix	trans	-56.8	-48.1	176.5	-73.1	171.2	177.6	173.4	0.5	111.5	P94 E95 Y100 L101 H102	P94-R98 WeakPolarHBondContact O-CG 3.47Å; P94-R98 PolarHBondContact O-N 2.63Å; E95-R98 PolarHBondContact O-N 2.91Å; E95-R98 IonicContact OE1-CZ 3.73Å; E95-R98 IonicContact OE1-NH1 2.78Å; E95-R98 PolarHBondContact OE1-NH1 2.7Å; E95-R98 VanDerWaalsContact OE2-CD 3.26Å; E95-R98 WeakPolarHBondContact OE2-CD 3.18Å; E95-R98 IonicContact OE2-CZ 3.82Å; E95-R98 IonicContact OE2-NE 3.95Å; E95-R98 IonicContact OE2-NH1 2.94Å; E95-R98 PolarHBondContact OE2-NH1 2.65Å; R98-Y100 VanDerWaalsContact C-N 3.32Å; R98-Y100 PolarHBondContact O-N 2.77Å; R98-L101 PolarHBondContact O-N 3.2Å; R98-H102 PolarHBondContact O-CD2 2.87Å; R98-H102 PolarHBondContact O-N 3.29Å
99	T	88	Confident	88.3	Confident	73 Å²	73	91.2 Å²	91.2	45%	0.448	46%	0.459	S	S	.	.	H	α-helix	trans	-58	-44	178.2	-56.7	0	0	0	0	111.9	E95 A96 L97 H102 K103	E95-T99 WeakPolarHBondContact O-CB 3.48Å; E95-T99 PolarHBondContact O-N 2.64Å; E95-T99 PolarHBondContact O-OG1 2.93Å; A96-T99 PolarHBondContact O-N 2.97Å; L97-T99 VanDerWaalsContact C-N 3.33Å; L97-T99 PolarHBondContact O-N 2.74Å; T99-H102 PolarHBondContact O-N 3.38Å; T99-K103 WeakPolarHBondContact O-CG 2.92Å; T99-K103 PolarHBondContact O-N 2.63Å; T99-K103 VanDerWaalsContact O-N 3.07Å
100	Y	90.5	Very high	88	Confident	39 Å²	39	87.1 Å²	87.1	15%	0.153	45%	0.445	C	S	.	.	H	α-helix	trans	-64	-42.7	176.5	173.2	-101.3	0	0	0	112.3	P85 E86 R87 F91 A96 L97 R98 H102 K103 L104	P85-Y100 HydrophobicContact CB-CE2 4.37Å; P85-Y100 HydrophobicContact CG-CE2 4.38Å; E86-Y100 WeakPolarHBondContact O-CE2 3.37Å; R87-Y100 HydrophobicContact CB-CE2 3.99Å; R87-Y100 WeakPolarHBondContact CB-OH 3.1Å; R87-Y100 HydrophobicContact CG-CE1 4.39Å; R87-Y100 HydrophobicContact CG-CE2 4.37Å; F91-Y100 AromaticContact CE1-CD1 3.94Å; F91-Y100 HydrophobicContact CE1-CD1 3.94Å; F91-Y100 AromaticContact CE1-CG 3.79Å; F91-Y100 HydrophobicContact CE1-CG 3.79Å; F91-Y100 AromaticContact CZ-CD1 3.58Å; F91-Y100 HydrophobicContact CZ-CD1 3.58Å; F91-Y100 HydrophobicContact CZ-CE1 4.07Å; F91-Y100 AromaticContact CZ-CG 3.87Å; F91-Y100 HydrophobicContact CZ-CG 3.87Å; A96-Y100 WeakPolarHBondContact O-CB 3.42Å; A96-Y100 PolarHBondContact O-N 2.57Å; L97-Y100 PolarHBondContact O-N 3.37Å; R98-Y100 VanDerWaalsContact C-N 3.32Å; R98-Y100 PolarHBondContact O-N 2.77Å; Y100-H102 VanDerWaalsContact C-N 3.33Å; Y100-H102 PolarHBondContact O-N 3.29Å; Y100-K103 PolarHBondContact O-N 3.02Å; Y100-L104 HydrophobicContact CD1-CD1 3.93Å; Y100-L104 HydrophobicContact CD1-CG 4.46Å; Y100-L104 HydrophobicContact CE1-CD1 3.21Å; Y100-L104 HydrophobicContact CE1-CG 3.93Å; Y100-L104 HydrophobicContact CE2-CD1 4.35Å; Y100-L104 HydrophobicContact CE2-CG 4.22Å; Y100-L104 VanDerWaalsContact CZ-CD1 3.46Å; Y100-L104 PolarHBondContact O-N 2.84Å
101	L	90.7	Very high	87.5	Confident	97 Å²	97	85.8 Å²	85.8	51%	0.508	44%	0.438	S	S	.	.	H	α-helix	trans	-62.7	-38.9	176	-69.2	174.5	0	0	0	112.1	L97 R98 L104 N105	L97-L101 HydrophobicContact CD1-CD1 4.29Å; L97-L101 HydrophobicContact CD1-CG 4.26Å; L97-L101 HydrophobicContact CG-CD1 4.16Å; L97-L101 WeakPolarHBondContact O-CG 3.36Å; L97-L101 PolarHBondContact O-N 2.74Å; R98-L101 PolarHBondContact O-N 3.2Å; L101-L104 PolarHBondContact O-N 3.12Å; L101-N105 WeakPolarHBondContact O-CB 3.3Å; L101-N105 PolarHBondContact O-N 2.86Å
102	H	88.3	Confident	86.9	Confident	129 Å²	129	84.8 Å²	84.8	60%	0.597	44%	0.444	S	S	*	.	H	α-helix	trans	-61	-48.9	173.3	-75.9	-62.2	0	0	0	111.9	R98 T99 Y100 L104 N105 E106	R98-H102 PolarHBondContact O-CD2 2.87Å; R98-H102 PolarHBondContact O-N 3.29Å; T99-H102 PolarHBondContact O-N 3.38Å; Y100-H102 VanDerWaalsContact C-N 3.33Å; Y100-H102 PolarHBondContact O-N 3.29Å; H102-L104 VanDerWaalsContact C-N 3.32Å; H102-L104 PolarHBondContact O-N 2.98Å; H102-N105 WeakPolarHBondContact O-CB 2.8Å; H102-N105 PolarHBondContact O-N 3.14Å; H102-N105 VanDerWaalsContact O-N 3.09Å; H102-E106 PolarHBondContact O-N 2.79Å
103	K	87.2	Confident	86.4	Confident	117 Å²	117	83.5 Å²	83.5	51%	0.509	43%	0.432	S	S	.	.	H	α-helix	trans	-59.8	-40.9	176.6	-71.2	179.2	177.9	-178.6	0	112.6	P85 T99 Y100 N105 E106 Y107	P85-K103 HydrophobicContact CB-CB 3.95Å; P85-K103 HydrophobicContact CG-CB 4.17Å; T99-K103 WeakPolarHBondContact O-CG 2.92Å; T99-K103 PolarHBondContact O-N 2.63Å; T99-K103 VanDerWaalsContact O-N 3.07Å; Y100-K103 PolarHBondContact O-N 3.02Å; K103-N105 VanDerWaalsContact C-N 3.31Å; K103-N105 PolarHBondContact O-N 2.99Å; K103-E106 PolarHBondContact O-N 2.79Å; K103-Y107 WeakPolarHBondContact O-CB 3.21Å; K103-Y107 PolarHBondContact O-N 2.97Å
104	L	88.5	Confident	85.7	Confident	34 Å²	34	83.6 Å²	83.6	18%	0.178	43%	0.434	C	S	.	.	H	α-helix	trans	-63.1	-39.9	174.9	-86.7	179.7	0	0	0	112	P85 Y100 L101 H102 Y107 F108	P85-L104 HydrophobicContact CG-CB 4.42Å; P85-L104 HydrophobicContact CG-CD2 3.52Å; P85-L104 HydrophobicContact CG-CG 3.79Å; Y100-L104 HydrophobicContact CD1-CD1 3.93Å; Y100-L104 HydrophobicContact CD1-CG 4.46Å; Y100-L104 HydrophobicContact CE1-CD1 3.21Å; Y100-L104 HydrophobicContact CE1-CG 3.93Å; Y100-L104 HydrophobicContact CE2-CD1 4.35Å; Y100-L104 HydrophobicContact CE2-CG 4.22Å; Y100-L104 VanDerWaalsContact CZ-CD1 3.46Å; Y100-L104 PolarHBondContact O-N 2.84Å; L101-L104 PolarHBondContact O-N 3.12Å; H102-L104 VanDerWaalsContact C-N 3.32Å; H102-L104 PolarHBondContact O-N 2.98Å; L104-Y107 PolarHBondContact O-N 2.61Å; L104-F108 HydrophobicContact CD2-CE2 4.03Å; L104-F108 VanDerWaalsContact O-CD2 3.22Å; L104-F108 WeakPolarHBondContact O-CD2 3.24Å; L104-F108 PolarHBondContact O-N 3.06Å
105	N	85.7	Confident	85.2	Confident	48 Å²	48	90.6 Å²	90.6	26%	0.257	45%	0.449	S	S	.	.	H	α-helix	trans	-64.5	-44.9	178.6	-162.6	31.2	0	0	0	111.2	L101 H102 K103 Y107 F108 A109 R113	L101-N105 WeakPolarHBondContact O-CB 3.3Å; L101-N105 PolarHBondContact O-N 2.86Å; H102-N105 WeakPolarHBondContact O-CB 2.8Å; H102-N105 PolarHBondContact O-N 3.14Å; H102-N105 VanDerWaalsContact O-N 3.09Å; K103-N105 VanDerWaalsContact C-N 3.31Å; K103-N105 PolarHBondContact O-N 2.99Å; N105-Y107 VanDerWaalsContact C-N 3.35Å; N105-Y107 PolarHBondContact O-N 2.74Å; N105-F108 PolarHBondContact O-N 3.3Å; N105-A109 VanDerWaalsContact O-CB 3.29Å; N105-A109 WeakPolarHBondContact O-CB 3.12Å; N105-A109 PolarHBondContact O-N 3.32Å; N105-R113 PolarHBondContact OD1-NH2 3.23Å
106	E	82.9	Confident	84.5	Confident	131 Å²	131	95.4 Å²	95.4	61%	0.612	47%	0.468	S	S	*	.	H	α-helix	trans	-59.4	-45.1	174.2	-69.8	-179.7	163.7	0	0	111.8	H102 K103 A109 I110	H102-E106 PolarHBondContact O-N 2.79Å; K103-E106 PolarHBondContact O-N 2.79Å; E106-A109 WeakPolarHBondContact O-CB 3.15Å; E106-A109 PolarHBondContact O-N 2.99Å; E106-I110 WeakPolarHBondContact O-CG1 3.45Å; E106-I110 PolarHBondContact O-N 3.43Å; E106-I110 VanDerWaalsContact O-N 3.17Å
107	Y	85.3	Confident	83.8	Confident	41 Å²	41	96.5 Å²	96.5	16%	0.161	48%	0.484	C	S	.	.	H	α-helix	trans	-57.7	-51.2	176.7	174	-94.5	0	0	0	112.1	I82 V83 P84 K103 L104 N105 A109 I110 I111	I82-Y107 HydrophobicContact CG2-CD2 3.61Å; I82-Y107 HydrophobicContact CG2-CE2 3.84Å; I82-Y107 WeakPolarHBondContact O-CE2 3.37Å; V83-Y107 VanDerWaalsContact C-CE2 3.49Å; P84-Y107 HydrophobicContact CB-CD2 4.41Å; P84-Y107 HydrophobicContact CB-CE1 4.07Å; P84-Y107 HydrophobicContact CB-CE2 3.87Å; P84-Y107 HydrophobicContact CG-CE2 4.46Å; K103-Y107 WeakPolarHBondContact O-CB 3.21Å; K103-Y107 PolarHBondContact O-N 2.97Å; L104-Y107 PolarHBondContact O-N 2.61Å; N105-Y107 VanDerWaalsContact C-N 3.35Å; N105-Y107 PolarHBondContact O-N 2.74Å; Y107-A109 VanDerWaalsContact C-N 3.3Å; Y107-A109 PolarHBondContact O-N 2.87Å; Y107-I110 PolarHBondContact O-N 2.88Å; Y107-I111 HydrophobicContact CD2-CD1 4.09Å; Y107-I111 HydrophobicContact CE1-CD1 4.24Å; Y107-I111 HydrophobicContact CE2-CD1 3.35Å; Y107-I111 HydrophobicContact CE2-CG1 4.44Å; Y107-I111 VanDerWaalsContact CZ-CD1 3.44Å; Y107-I111 PolarHBondContact O-N 3.41Å; Y107-I111 WeakPolarHBondContact OH-CD1 3.25Å
108	F	84.5	Confident	82.5	Confident	56 Å²	56	104.8 Å²	104.8	25%	0.246	51%	0.51	C	S	.	.	H	α-helix	trans	-74.3	-18.1	179	-71.5	-55.2	0	0	0	113.8	L104 N105 I110 G112 R113 P114	L104-F108 HydrophobicContact CD2-CE2 4.03Å; L104-F108 VanDerWaalsContact O-CD2 3.22Å; L104-F108 WeakPolarHBondContact O-CD2 3.24Å; L104-F108 PolarHBondContact O-N 3.06Å; N105-F108 PolarHBondContact O-N 3.3Å; F108-I110 VanDerWaalsContact C-N 3.33Å; F108-G112 WeakPolarHBondContact CD1-O 3.29Å; F108-G112 CarbonylContact O-C 3.54Å; F108-G112 VanDerWaalsContact O-C 3.28Å; F108-G112 WeakPolarHBondContact O-CA 3.29Å; F108-G112 PolarHBondContact O-N 2.84Å; F108-R113 HydrophobicContact CB-CG 3.95Å; F108-R113 HydrophobicContact CG-CG 4.49Å; F108-P114 HydrophobicContact CE1-CG 3.79Å; F108-P114 HydrophobicContact CZ-CG 4.42Å
109	A	78.2	Confident	80.7	Confident	79 Å²	79	113.9 Å²	113.9	65%	0.653	54%	0.544	S	S	*	.	H	α-helix	trans	-69.4	-35	169.9	0	0	0	0	0	111.3	N105 E106 Y107	N105-A109 VanDerWaalsContact O-CB 3.29Å; N105-A109 WeakPolarHBondContact O-CB 3.12Å; N105-A109 PolarHBondContact O-N 3.32Å; E106-A109 WeakPolarHBondContact O-CB 3.15Å; E106-A109 PolarHBondContact O-N 2.99Å; Y107-A109 VanDerWaalsContact C-N 3.3Å; Y107-A109 PolarHBondContact O-N 2.87Å
110	I	80.8	Confident	80.4	Confident	116 Å²	116	116 Å²	116	60%	0.595	55%	0.549	S	S	*	.	H	α-helix	trans	-81.5	-49.2	178.9	-61.2	166.3	0	0	0	111.4	I82 E106 Y107 F108	I82-I110 HydrophobicContact CD1-CG2 3.71Å; E106-I110 WeakPolarHBondContact O-CG1 3.45Å; E106-I110 PolarHBondContact O-N 3.43Å; E106-I110 VanDerWaalsContact O-N 3.17Å; Y107-I110 PolarHBondContact O-N 2.88Å; F108-I110 VanDerWaalsContact C-N 3.33Å
111	I	80.9	Confident	79.8	Confident	90 Å²	90	120 Å²	120	46%	0.462	57%	0.57	S	S	.	*	H	α-helix	trans	-86.8	-22.9	-174.6	-68.3	-176.3	0	0	0	112.7	I82 Y107	I82-I111 HydrophobicContact CB-CD1 4.1Å; I82-I111 HydrophobicContact CG2-CD1 3.76Å; I82-I111 HydrophobicContact CG2-CG1 4.14Å; Y107-I111 HydrophobicContact CD2-CD1 4.09Å; Y107-I111 HydrophobicContact CE1-CD1 4.24Å; Y107-I111 HydrophobicContact CE2-CD1 3.35Å; Y107-I111 HydrophobicContact CE2-CG1 4.44Å; Y107-I111 VanDerWaalsContact CZ-CD1 3.44Å; Y107-I111 PolarHBondContact O-N 3.41Å; Y107-I111 WeakPolarHBondContact OH-CD1 3.25Å
112	G	80.5	Confident	79.2	Confident	37 Å²	37	121.3 Å²	121.3	38%	0.381	57%	0.573	S	S	.	*			trans	93.9	148.9	-171.4	0	0	0	0	0	112.5	F108	F108-G112 WeakPolarHBondContact CD1-O 3.29Å; F108-G112 CarbonylContact O-C 3.54Å; F108-G112 VanDerWaalsContact O-C 3.28Å; F108-G112 WeakPolarHBondContact O-CA 3.29Å; F108-G112 PolarHBondContact O-N 2.84Å
113	R	79.2	Confident	78.7	Confident	156 Å²	156	120.8 Å²	120.8	59%	0.589	57%	0.572	S	S	*	*			trans	-77.3	130.6	179	-63.9	-178.7	-170.5	-78.9	-1.9	110.7	N105 F108 R115	N105-R113 PolarHBondContact OD1-NH2 3.23Å; F108-R113 HydrophobicContact CB-CG 3.95Å; F108-R113 HydrophobicContact CG-CG 4.49Å; R113-R115 PolarHBondContact O-N 2.93Å
114	P	77.7	Confident	78.2	Confident	73 Å²	73	121.1 Å²	121.1	47%	0.474	58%	0.576	S	S	.	*			trans	-56.4	114.7	170.4	-23.3	32.1	0	0	0	110	F108 F116	F108-P114 HydrophobicContact CE1-CG 3.79Å; F108-P114 HydrophobicContact CZ-CG 4.42Å; P114-F116 HydrophobicContact CB-CD2 4.39Å; P114-F116 HydrophobicContact CB-CE2 3.83Å; P114-F116 HydrophobicContact CB-CZ 3.97Å; P114-F116 PolarHBondContact O-N 2.82Å
115	R	80.3	Confident	77.5	Confident	236 Å²	236	126.9 Å²	126.9	89%	0.891	60%	0.603	S	S	*	*			trans	-88.1	93	172.8	-63.3	-175.2	-178.3	-157	-0	107.5	R113 G117	R113-R115 PolarHBondContact O-N 2.93Å; R115-G117 VanDerWaalsContact C-N 3.3Å; R115-G117 PolarHBondContact O-N 2.94Å
116	F	75.3	Confident	76.9	Confident	202 Å²	202	132.5 Å²	132.5	89%	0.886	63%	0.627	S	S	*	*			trans	-73.1	93	166.2	-61.4	-67.4	0	0	0	107.7	P114	P114-F116 HydrophobicContact CB-CD2 4.39Å; P114-F116 HydrophobicContact CB-CE2 3.83Å; P114-F116 HydrophobicContact CB-CZ 3.97Å; P114-F116 PolarHBondContact O-N 2.82Å
117	G	73.4	Confident	76.4	Confident	65 Å²	65	132.6 Å²	132.6	67%	0.67	63%	0.628	S	S	*	*			trans	-140.5	119.2	-174.1	0	0	0	0	0	111.6	R115	R115-G117 VanDerWaalsContact C-N 3.3Å; R115-G117 PolarHBondContact O-N 2.94Å
118	R	62.7	Low	75.7	Confident	246 Å²	246	140.3 Å²	140.3	93%	0.928	67%	0.667	S	S	*	*			trans	8.9	114.3	174.3	-68.9	-174.9	178.4	174.9	0.5	119.4
119	R	54.5	Low	74.9	Confident	327 Å²	327	147.9 Å²	147.9	100%	1.234	71%	0.706	S	S	*	*			trans	6.5	0	150.2	-62	-179.3	-175.9	159.5	0.8	117.4

Retrieved 119 of 119 residues in 31.4 ms (Link to these results)

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