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Histone H2A

Core component of nucleosome. Nucleosomes wrap and compact DNA into chromatin, limiting DNA accessibility to the cellular machineries which require DNA as a template. Histones thereby play a central role in transcription regulation, DNA repair, DNA replication and chromosomal stability. DNA accessibility is regulated via a complex set of post-translational modifications of histones, also called histone code, and nucleosome remodeling.

AlphaFold DB , UniProt , Accession G4VN61, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 156 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	52.8	Low	61	Low	247 Å²	247	152.1 Å²	152.1	100%	1.217	86%	0.855	S	S	*	*				0	101.1	0	-71.1	-163.5	160.9	0	0	109.6	G3	M1-G3 PolarHBondContact O-N 3.09Å
2	S	62.7	Low	61.5	Low	123 Å²	123	145.8 Å²	145.8	86%	0.86	85%	0.85	S	S	*	*			trans	-82.2	96.5	179.6	69	0	0	0	0	110.5	R4	S2-R4 PolarHBondContact O-N 2.72Å; S2-R4 VanDerWaalsContact O-N 3.09Å
3	G	61.3	Low	62.2	Low	77 Å²	77	137.9 Å²	137.9	79%	0.794	82%	0.819	S	S	*	*			trans	-64.7	105.2	169.4	0	0	0	0	0	109.9	M1 G5	M1-G3 PolarHBondContact O-N 3.09Å; G3-G5 VanDerWaalsContact C-N 3.29Å; G3-G5 PolarHBondContact O-N 3.18Å
4	R	60.2	Low	63.4	Low	243 Å²	243	141.9 Å²	141.9	92%	0.917	82%	0.82	S	S	*	*			trans	-71.6	86.8	176	-167.2	161.7	-179.9	105.6	-5.3	109.1	S2 K6	S2-R4 PolarHBondContact O-N 2.72Å; S2-R4 VanDerWaalsContact O-N 3.09Å; R4-K6 PolarHBondContact O-N 3.28Å
5	G	61.3	Low	64.7	Low	65 Å²	65	145 Å²	145	67%	0.67	82%	0.82	S	S	*	*			trans	-57.2	131.1	176.8	0	0	0	0	0	112	G3 A7	G3-G5 VanDerWaalsContact C-N 3.29Å; G3-G5 PolarHBondContact O-N 3.18Å; G5-A7 PolarHBondContact O-N 2.85Å
6	K	64.9	Low	66.2	Low	205 Å²	205	142.9 Å²	142.9	89%	0.891	80%	0.801	S	S	*	*	S	Bend	trans	11.8	94.9	166.1	-154.1	170.9	-169.5	172.6	0	114.3	R4 R8	R4-K6 PolarHBondContact O-N 3.28Å; K6-R8 PolarHBondContact O-N 3.04Å
7	A	61.1	Low	67.8	Low	95 Å²	95	138.5 Å²	138.5	79%	0.785	78%	0.779	S	S	*	*			trans	-37	91.9	-178.7	0	0	0	0	0	113.8	G5 K9	G5-A7 PolarHBondContact O-N 2.85Å; A7-K9 PolarHBondContact O-N 2.89Å; A7-K9 VanDerWaalsContact O-N 3.08Å
8	R	61.5	Low	69.2	Low	246 Å²	246	134.8 Å²	134.8	93%	0.928	75%	0.753	S	S	*	*			trans	-69.4	101.4	158.2	-76.9	-176.9	171.7	-178.7	-1.8	105.2	K6 A10	K6-R8 PolarHBondContact O-N 3.04Å; R8-A10 PolarHBondContact O-N 2.93Å
9	K	59.7	Low	70.6	Confident	186 Å²	186	128.2 Å²	128.2	81%	0.809	72%	0.717	S	S	*	*			trans	-47.5	132	172	-99.7	-172.6	173.5	-173.7	0	108.5	A7 A11	A7-K9 PolarHBondContact O-N 2.89Å; A7-K9 VanDerWaalsContact O-N 3.08Å; K9-A11 PolarHBondContact O-N 3.4Å
10	A	61.6	Low	71.8	Confident	84 Å²	84	127.4 Å²	127.4	69%	0.694	71%	0.711	S	S	*	*			trans	-48.6	135.1	172.4	0	0	0	0	0	109.7	R8 G12 G13	R8-A10 PolarHBondContact O-N 2.93Å; A10-G12 PolarHBondContact O-N 3.26Å; A10-G13 PolarHBondContact O-N 3.21Å
11	A	64.1	Low	72.9	Confident	102 Å²	102	130.5 Å²	130.5	84%	0.843	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-11	-169.6	0	0	0	0	0	114.9	K9	K9-A11 PolarHBondContact O-N 3.4Å
12	G	66.8	Low	74.9	Confident	77 Å²	77	120.8 Å²	120.8	79%	0.794	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	2.4	-177.6	0	0	0	0	0	117.3	A10	A10-G12 PolarHBondContact O-N 3.26Å
13	G	70.5	Confident	76.5	Confident	43 Å²	43	118 Å²	118	44%	0.443	66%	0.661	S	S	.	*	S	Bend	trans	-70.8	138.9	177.1	0	0	0	0	0	112.9	A10 K15	A10-G13 PolarHBondContact O-N 3.21Å; G13-K15 PolarHBondContact O-N 2.77Å
14	K	79.2	Confident	78.2	Confident	193 Å²	193	115.6 Å²	115.6	84%	0.839	63%	0.63	S	S	*	*			trans	-49.8	113.7	174.3	-73.7	-177.7	-177	175.7	0	110.1	H16	K14-H16 PolarHBondContact O-N 2.96Å
15	K	82.9	Confident	80	Confident	189 Å²	189	110.4 Å²	110.4	82%	0.822	63%	0.625	S	S	*	*			trans	-80.2	104.7	179.9	-67.9	179.7	-176.3	171.4	0	109.2	G13 T17	G13-K15 PolarHBondContact O-N 2.77Å; K15-T17 PolarHBondContact O-N 2.84Å
16	H	88.5	Confident	81.6	Confident	111 Å²	111	109.3 Å²	109.3	51%	0.514	60%	0.603	S	S	.	*			trans	-72.6	128.2	170.7	-62.5	-80.4	0	0	0	110.6	K14 R21	K14-H16 PolarHBondContact O-N 2.96Å; H16-R21 HydrophobicContact CB-CG 4.08Å; H16-R21 PolarHBondContact O-NE 3.31Å; H16-R21 PolarHBondContact O-NH2 2.74Å; H16-R21 VanDerWaalsContact O-NH2 3.09Å
17	T	92.7	Very high	83.1	Confident	68 Å²	68	101.3 Å²	101.3	42%	0.417	57%	0.573	S	S	.	*			trans	-66.3	160.7	175.9	84.9	0	0	0	0	110.8	K15 S19 N20 R21	K15-T17 PolarHBondContact O-N 2.84Å; T17-S19 PolarHBondContact O-N 2.95Å; T17-S19 PolarHBondContact OG1-N 3.06Å; T17-N20 PolarHBondContact O-N 3.21Å; T17-N20 PolarHBondContact OG1-N 3.21Å; T17-N20 PolarHBondContact OG1-OD1 3.08Å; T17-R21 WeakPolarHBondContact O-CG 3.32Å; T17-R21 PolarHBondContact O-N 3.29Å; T17-R21 VanDerWaalsContact O-N 3.12Å
18	K	93.8	Very high	84.9	Confident	73 Å²	73	96.8 Å²	96.8	32%	0.317	54%	0.536	S	S	.	.	H	α-helix	trans	-60.4	-36.2	174.8	-65.1	177.7	-175.9	174	0	111.8	R21 A22 V28 I46	K18-R21 PolarHBondContact O-N 3.46Å; K18-A22 WeakPolarHBondContact O-CB 3.41Å; K18-A22 PolarHBondContact O-N 2.85Å; K18-V28 HydrophobicContact CB-CB 4.02Å; K18-V28 HydrophobicContact CB-CG1 3.98Å; K18-V28 HydrophobicContact CD-CG1 4.42Å; K18-I46 HydrophobicContact CD-CG2 4.13Å
19	S	95.5	Very high	86.5	Confident	9 Å²	9	87.7 Å²	87.7	6%	0.063	51%	0.51	C	S	.	.	H	α-helix	trans	-62.8	-50.4	175.5	-64.9	0	0	0	0	111.8	T17 R21 A22 G23 L24 I26 S27 V28	T17-S19 PolarHBondContact O-N 2.95Å; T17-S19 PolarHBondContact OG1-N 3.06Å; S19-R21 PolarHBondContact O-N 3.37Å; S19-A22 CarbonylContact O-C 3.54Å; S19-A22 PolarHBondContact O-N 3.08Å; S19-G23 PolarHBondContact O-N 2.91Å; S19-L24 WeakPolarHBondContact CB-O 3.44Å; S19-L24 PolarHBondContact O-N 3.11Å; S19-L24 VanDerWaalsContact O-N 3.09Å; S19-I26 PolarHBondContact OG-O 3.38Å; S19-S27 WeakPolarHBondContact OG-CA 3.25Å; S19-V28 PolarHBondContact OG-N 3.49Å
20	N	95.1	Very high	88.3	Confident	112 Å²	112	85.1 Å²	85.1	60%	0.599	50%	0.495	S	S	*	.	H	α-helix	trans	-60.1	-34.7	178	-68.1	62.3	0	0	0	112.3	T17 A22	T17-N20 PolarHBondContact O-N 3.21Å; T17-N20 PolarHBondContact OG1-N 3.21Å; T17-N20 PolarHBondContact OG1-OD1 3.08Å; N20-A22 VanDerWaalsContact C-N 3.35Å
21	R	94.7	Very high	90	Very high	193 Å²	193	82 Å²	82	73%	0.728	47%	0.467	S	S	*	.	H	α-helix	trans	-73.2	-27.6	175.9	-66.3	-179.6	-154.3	-171.4	2.9	113.2	H16 T17 K18 S19	H16-R21 HydrophobicContact CB-CG 4.08Å; H16-R21 PolarHBondContact O-NE 3.31Å; H16-R21 PolarHBondContact O-NH2 2.74Å; H16-R21 VanDerWaalsContact O-NH2 3.09Å; T17-R21 WeakPolarHBondContact O-CG 3.32Å; T17-R21 PolarHBondContact O-N 3.29Å; T17-R21 VanDerWaalsContact O-N 3.12Å; K18-R21 PolarHBondContact O-N 3.46Å; S19-R21 PolarHBondContact O-N 3.37Å
22	A	95.2	Very high	91.6	Very high	43 Å²	43	78 Å²	78	36%	0.355	43%	0.431	S	S	.	.	H	α-helix	trans	-90.9	-6.7	179	0	0	0	0	0	113.1	K18 S19 N20 L24 V50	K18-A22 WeakPolarHBondContact O-CB 3.41Å; K18-A22 PolarHBondContact O-N 2.85Å; S19-A22 CarbonylContact O-C 3.54Å; S19-A22 PolarHBondContact O-N 3.08Å; N20-A22 VanDerWaalsContact C-N 3.35Å; A22-L24 VanDerWaalsContact C-N 3.31Å; A22-L24 HydrophobicContact CB-CD1 4Å; A22-L24 HydrophobicContact CB-CG 4.01Å; A22-V50 HydrophobicContact CB-CG1 3.83Å
23	G	96.3	Very high	93	Very high	64 Å²	64	80.9 Å²	80.9	66%	0.66	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	23.6	-175.2	0	0	0	0	0	114	S19	S19-G23 PolarHBondContact O-N 2.91Å
24	L	97.2	Very high	94.3	Very high	27 Å²	27	85.2 Å²	85.2	14%	0.141	42%	0.422	C	S	.	.			trans	-105.1	139.1	-175.9	-62.4	176.7	0	0	0	111.4	S19 A22 V28 V50 A54 E57	S19-L24 WeakPolarHBondContact CB-O 3.44Å; S19-L24 PolarHBondContact O-N 3.11Å; S19-L24 VanDerWaalsContact O-N 3.09Å; A22-L24 VanDerWaalsContact C-N 3.31Å; A22-L24 HydrophobicContact CB-CD1 4Å; A22-L24 HydrophobicContact CB-CG 4.01Å; L24-V28 HydrophobicContact CD1-CG2 3.81Å; L24-V50 HydrophobicContact CD1-CG1 4.24Å; L24-A54 HydrophobicContact CD1-CB 4.16Å; L24-A54 HydrophobicContact CD2-CB 3.85Å; L24-E57 WeakPolarHBondContact CA-OE2 3.49Å; L24-E57 WeakPolarHBondContact CB-OE2 3.03Å
25	V	97	Very high	95.1	Very high	133 Å²	133	77.6 Å²	77.6	81%	0.806	39%	0.39	S	S	*	.	S	Bend	trans	-74.4	-38.2	170.2	-179.8	0	0	0	0	110.4	E57	V25-E57 VanDerWaalsContact N-CD 3.34Å; V25-E57 PolarHBondContact N-OE1 2.89Å; V25-E57 VanDerWaalsContact N-OE1 3.15Å; V25-E57 PolarHBondContact N-OE2 3.01Å
26	I	95.5	Very high	95.8	Very high	43 Å²	43	74.3 Å²	74.3	22%	0.221	38%	0.375	C	S	.	.	S	Bend	trans	-67.6	141.9	178.1	-66.6	-170.3	0	0	0	111	S19 V28 V31 I56 E57	S19-I26 PolarHBondContact OG-O 3.38Å; I26-V28 PolarHBondContact O-N 3.17Å; I26-V31 HydrophobicContact CG2-CG2 3.98Å; I26-I56 HydrophobicContact CD1-CB 4.04Å; I26-I56 HydrophobicContact CD1-CG2 3.58Å; I26-E57 HydrophobicContact CD1-CB 3.78Å; I26-E57 HydrophobicContact CD1-CG 4.47Å; I26-E57 HydrophobicContact CG1-CB 4Å; I26-E57 HydrophobicContact CG1-CG 4.27Å; I26-E57 PolarHBondContact N-OE2 3.36Å
27	S	96.9	Very high	96.2	Very high	37 Å²	37	77 Å²	77	26%	0.259	39%	0.385	S	S	.	.			trans	-73	98.7	179.8	-173.9	0	0	0	0	112.5	S19 S29 R30 V31	S19-S27 WeakPolarHBondContact OG-CA 3.25Å; S27-S29 PolarHBondContact O-N 3.23Å; S27-R30 WeakPolarHBondContact O-CB 3.49Å; S27-R30 PolarHBondContact O-N 3.24Å; S27-R30 PolarHBondContact OG-N 3.36Å; S27-V31 PolarHBondContact O-N 3.5Å
28	V	97.6	Very high	96.4	Very high	0 Å²	0	75.4 Å²	75.4	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-55.7	-38.3	175.2	175.8	0	0	0	0	111.4	K18 S19 L24 I26 R30 V31 H32 V50 S53	K18-V28 HydrophobicContact CB-CB 4.02Å; K18-V28 HydrophobicContact CB-CG1 3.98Å; K18-V28 HydrophobicContact CD-CG1 4.42Å; S19-V28 PolarHBondContact OG-N 3.49Å; L24-V28 HydrophobicContact CD1-CG2 3.81Å; I26-V28 PolarHBondContact O-N 3.17Å; V28-R30 VanDerWaalsContact C-N 3.32Å; V28-R30 PolarHBondContact O-N 2.91Å; V28-V31 PolarHBondContact O-N 2.9Å; V28-H32 VanDerWaalsContact O-CB 3.28Å; V28-H32 WeakPolarHBondContact O-CB 3.02Å; V28-H32 PolarHBondContact O-N 3.31Å; V28-V50 HydrophobicContact CG1-CG2 3.7Å; V28-V50 HydrophobicContact CG2-CG2 4.47Å; V28-S53 WeakPolarHBondContact CA-OG 3.27Å
29	S	96.6	Very high	96.4	Very high	54 Å²	54	82.7 Å²	82.7	38%	0.378	41%	0.408	S	S	.	.	H	α-helix	trans	-65	-35.6	177.2	-64.6	0	0	0	0	112.5	S27 R33	S27-S29 PolarHBondContact O-N 3.23Å; S29-R33 PolarHBondContact O-N 3.15Å; S29-R33 VanDerWaalsContact O-N 3.15Å
30	R	97.1	Very high	96.4	Very high	133 Å²	133	91 Å²	91	50%	0.502	44%	0.439	S	S	.	.	H	α-helix	trans	-71.3	-46.8	177.6	-173.6	178.5	-64.4	143.1	-1.5	110.8	S27 V28 H32 R33 Y34	S27-R30 WeakPolarHBondContact O-CB 3.49Å; S27-R30 PolarHBondContact O-N 3.24Å; S27-R30 PolarHBondContact OG-N 3.36Å; V28-R30 VanDerWaalsContact C-N 3.32Å; V28-R30 PolarHBondContact O-N 2.91Å; R30-H32 VanDerWaalsContact C-N 3.34Å; R30-H32 PolarHBondContact O-N 3.37Å; R30-R33 WeakPolarHBondContact O-CB 3.34Å; R30-R33 PolarHBondContact O-N 3.27Å; R30-Y34 HydrophobicContact CG-CD2 4.02Å; R30-Y34 HydrophobicContact CG-CE2 3.55Å; R30-Y34 PolarHBondContact O-N 3.16Å
31	V	97.4	Very high	96.4	Very high	18 Å²	18	88.6 Å²	88.6	11%	0.109	44%	0.435	C	S	.	.	H	α-helix	trans	-59	-46.3	175.8	176.4	0	0	0	0	110.4	I26 S27 V28 R33 Y34 M35 M52 S53	I26-V31 HydrophobicContact CG2-CG2 3.98Å; S27-V31 PolarHBondContact O-N 3.5Å; V28-V31 PolarHBondContact O-N 2.9Å; V31-R33 VanDerWaalsContact C-N 3.3Å; V31-R33 PolarHBondContact O-N 3.35Å; V31-Y34 PolarHBondContact O-N 3.34Å; V31-Y34 VanDerWaalsContact O-N 3.12Å; V31-M35 HydrophobicContact CG1-CG 4.33Å; V31-M35 HydrophobicContact CG1-SD 4.14Å; V31-M35 WeakPolarHBondContact O-CG 3.5Å; V31-M35 PolarHBondContact O-N 3.28Å; V31-M52 HydrophobicContact CG1-CB 4.06Å; V31-M52 HydrophobicContact CG1-CG 3.83Å; V31-S53 WeakPolarHBondContact CB-OG 3.3Å; V31-S53 WeakPolarHBondContact CG2-OG 3.4Å
32	H	97.1	Very high	96.5	Very high	18 Å²	18	90.5 Å²	90.5	8%	0.083	44%	0.442	C	S	.	.	H	α-helix	trans	-58	-40.3	176.5	-172.2	71.3	0	0	0	113.3	V28 R30 K36 T44 S49	V28-H32 VanDerWaalsContact O-CB 3.28Å; V28-H32 WeakPolarHBondContact O-CB 3.02Å; V28-H32 PolarHBondContact O-N 3.31Å; R30-H32 VanDerWaalsContact C-N 3.34Å; R30-H32 PolarHBondContact O-N 3.37Å; H32-K36 WeakPolarHBondContact NE2-CE 3.48Å; H32-K36 PolarHBondContact NE2-NZ 3.02Å; H32-K36 PolarHBondContact O-N 3.42Å; H32-T44 PolarHBondContact CE1-O 2.83Å; H32-S49 VanDerWaalsContact CA-OG 3.25Å; H32-S49 WeakPolarHBondContact CA-OG 3.05Å; H32-S49 WeakPolarHBondContact CB-OG 3.35Å; H32-S49 PolarHBondContact ND1-OG 2.98Å
33	R	97.3	Very high	96.5	Very high	138 Å²	138	98.2 Å²	98.2	52%	0.521	46%	0.462	S	S	.	.	H	α-helix	trans	-65.6	-43.6	176	-176.5	179.6	63.7	-126.5	6.6	111.5	S29 R30 V31 K36 K37	S29-R33 PolarHBondContact O-N 3.15Å; S29-R33 VanDerWaalsContact O-N 3.15Å; R30-R33 WeakPolarHBondContact O-CB 3.34Å; R30-R33 PolarHBondContact O-N 3.27Å; V31-R33 VanDerWaalsContact C-N 3.3Å; V31-R33 PolarHBondContact O-N 3.35Å; R33-K36 PolarHBondContact O-N 3.25Å; R33-K37 PolarHBondContact O-N 2.96Å
34	Y	97.3	Very high	96.4	Very high	134 Å²	134	96.4 Å²	96.4	53%	0.525	44%	0.438	S	S	.	.	H	α-helix	trans	-67.1	-37.9	178.3	-68.9	-35	0	0	0	112.8	R30 V31 K36 K37 G38	R30-Y34 HydrophobicContact CG-CD2 4.02Å; R30-Y34 HydrophobicContact CG-CE2 3.55Å; R30-Y34 PolarHBondContact O-N 3.16Å; V31-Y34 PolarHBondContact O-N 3.34Å; V31-Y34 VanDerWaalsContact O-N 3.12Å; Y34-K36 VanDerWaalsContact C-N 3.29Å; Y34-K36 PolarHBondContact O-N 3.4Å; Y34-K37 PolarHBondContact O-N 2.9Å; Y34-G38 PolarHBondContact O-N 3.29Å
35	M	96.4	Very high	96.3	Very high	33 Å²	33	98.3 Å²	98.3	16%	0.163	45%	0.454	C	S	.	.	H	α-helix	trans	-60.2	-39.1	173.9	-67.9	177.3	80.7	0	0	112.4	V31 Y40 T44 A48 S49 M52	V31-M35 HydrophobicContact CG1-CG 4.33Å; V31-M35 HydrophobicContact CG1-SD 4.14Å; V31-M35 WeakPolarHBondContact O-CG 3.5Å; V31-M35 PolarHBondContact O-N 3.28Å; M35-Y40 WeakPolarHBondContact O-CD2 3.32Å; M35-T44 HydrophobicContact CB-CG2 3.83Å; M35-T44 HydrophobicContact CE-CG2 3.73Å; M35-T44 HydrophobicContact SD-CG2 4.02Å; M35-A48 HydrophobicContact CE-CB 4.13Å; M35-S49 PolarHBondContact SD-OG 2.95Å; M35-M52 HydrophobicContact SD-CB 4.37Å
36	K	96.3	Very high	96.3	Very high	120 Å²	120	96 Å²	96	52%	0.522	44%	0.436	S	S	.	.	H	α-helix	trans	-69.2	-43	174.4	-75.1	178.6	166.3	172.8	0	112.3	H32 R33 Y34 G38 R39	H32-K36 WeakPolarHBondContact NE2-CE 3.48Å; H32-K36 PolarHBondContact NE2-NZ 3.02Å; H32-K36 PolarHBondContact O-N 3.42Å; R33-K36 PolarHBondContact O-N 3.25Å; Y34-K36 VanDerWaalsContact C-N 3.29Å; Y34-K36 PolarHBondContact O-N 3.4Å; K36-G38 VanDerWaalsContact C-N 3.3Å; K36-G38 PolarHBondContact O-N 2.87Å; K36-R39 PolarHBondContact O-N 3.28Å
37	K	97	Very high	96.3	Very high	167 Å²	167	97.3 Å²	97.3	73%	0.726	45%	0.453	S	S	*	.	H	α-helix	trans	-64.9	-34	178.8	-171.6	178	177.8	-177.1	0	112.1	R33 Y34 R39	R33-K37 PolarHBondContact O-N 2.96Å; Y34-K37 PolarHBondContact O-N 2.9Å; K37-R39 PolarHBondContact O-N 3.22Å
38	G	96.3	Very high	96.3	Very high	35 Å²	35	97.3 Å²	97.3	36%	0.361	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-9	178	0	0	0	0	0	115	Y34 K36 Y40	Y34-G38 PolarHBondContact O-N 3.29Å; K36-G38 VanDerWaalsContact C-N 3.3Å; K36-G38 PolarHBondContact O-N 2.87Å; G38-Y40 PolarHBondContact O-N 3.44Å; G38-Y40 VanDerWaalsContact O-N 3.15Å
39	R	95.4	Very high	96.3	Very high	225 Å²	225	97.3 Å²	97.3	85%	0.849	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	30.5	178.4	-59.3	179.2	177.8	168.9	-1.3	114.4	K36 K37 A41	K36-R39 PolarHBondContact O-N 3.28Å; K37-R39 PolarHBondContact O-N 3.22Å; R39-A41 PolarHBondContact O-N 3.45Å
40	Y	95.1	Very high	96.4	Very high	184 Å²	184	96.9 Å²	96.9	72%	0.722	45%	0.451	S	S	*	.	S	Bend	trans	-63.9	-26.1	179.4	-54.9	-67.3	0	0	0	113.9	M35 G38	M35-Y40 WeakPolarHBondContact O-CD2 3.32Å; G38-Y40 PolarHBondContact O-N 3.44Å; G38-Y40 VanDerWaalsContact O-N 3.15Å
41	A	95.4	Very high	96.4	Very high	61 Å²	61	98.8 Å²	98.8	50%	0.504	46%	0.459	S	S	.	.	S	Bend	trans	-153.6	157.5	177.6	0	0	0	0	0	110.7	R39 R43	R39-A41 PolarHBondContact O-N 3.45Å; A41-R43 VanDerWaalsContact C-N 3.27Å; A41-R43 PolarHBondContact O-N 3.26Å
42	R	95.4	Very high	96.4	Very high	233 Å²	233	102 Å²	102	88%	0.879	47%	0.474	S	S	*	.	S	Bend	trans	-59.1	-35.9	175.7	-174.3	176.3	67.2	113.8	-5.7	112.9
43	R	95.8	Very high	96.4	Very high	205 Å²	205	101.1 Å²	101.1	77%	0.774	47%	0.47	S	S	*	.			trans	-134.7	132.5	178.1	-66	176.1	70.6	146.2	-1.6	109.4	A41	A41-R43 VanDerWaalsContact C-N 3.27Å; A41-R43 PolarHBondContact O-N 3.26Å
44	T	94.7	Very high	96.5	Very high	26 Å²	26	96.3 Å²	96.3	16%	0.16	46%	0.46	C	S	.	.			trans	-113.5	122.4	174	-47.5	0	0	0	0	109.3	H32 M35	H32-T44 PolarHBondContact CE1-O 2.83Å; M35-T44 HydrophobicContact CB-CG2 3.83Å; M35-T44 HydrophobicContact CE-CG2 3.73Å; M35-T44 HydrophobicContact SD-CG2 4.02Å
45	S	95.6	Very high	96.5	Very high	67 Å²	67	92.6 Å²	92.6	47%	0.469	45%	0.451	S	S	.	.			trans	-74.3	158.4	175.9	74.8	0	0	0	0	111.2	A47 A48 S49	S45-A47 VanDerWaalsContact C-N 3.35Å; S45-A48 WeakPolarHBondContact OG-CB 3.36Å; S45-A48 PolarHBondContact OG-N 3.07Å; S45-A48 VanDerWaalsContact OG-N 3.11Å; S45-S49 PolarHBondContact O-OG 3.21Å
46	I	95.5	Very high	96.6	Very high	86 Å²	86	94.2 Å²	94.2	44%	0.441	46%	0.459	S	S	.	.	H	α-helix	trans	-70.2	-37.3	174.4	-63.8	171.1	0	0	0	110.2	K18 A48 S49 V50	K18-I46 HydrophobicContact CD-CG2 4.13Å; I46-A48 VanDerWaalsContact C-N 3.33Å; I46-A48 PolarHBondContact O-N 2.84Å; I46-S49 WeakPolarHBondContact O-CB 3.33Å; I46-S49 PolarHBondContact O-N 3.33Å; I46-S49 VanDerWaalsContact O-N 3.08Å; I46-V50 PolarHBondContact O-N 2.91Å
47	A	96.9	Very high	96.7	Very high	69 Å²	69	90.6 Å²	90.6	57%	0.57	44%	0.444	S	S	*	.	H	α-helix	trans	-59.3	-42.2	178.7	0	0	0	0	0	112.2	S45 S49 V50 Y51	S45-A47 VanDerWaalsContact C-N 3.35Å; A47-S49 PolarHBondContact O-N 3.15Å; A47-V50 WeakPolarHBondContact O-CB 3.32Å; A47-V50 PolarHBondContact O-N 3.49Å; A47-V50 VanDerWaalsContact O-N 3.09Å; A47-Y51 PolarHBondContact O-N 2.9Å
48	A	96.9	Very high	96.7	Very high	37 Å²	37	89 Å²	89	31%	0.306	43%	0.434	S	S	.	.	H	α-helix	trans	-58.3	-37.5	175.3	0	0	0	0	0	112.1	M35 S45 I46 M52	M35-A48 HydrophobicContact CE-CB 4.13Å; S45-A48 WeakPolarHBondContact OG-CB 3.36Å; S45-A48 PolarHBondContact OG-N 3.07Å; S45-A48 VanDerWaalsContact OG-N 3.11Å; I46-A48 VanDerWaalsContact C-N 3.33Å; I46-A48 PolarHBondContact O-N 2.84Å; A48-M52 VanDerWaalsContact O-CB 3.3Å; A48-M52 WeakPolarHBondContact O-CB 3.35Å; A48-M52 PolarHBondContact O-N 2.88Å
49	S	96.9	Very high	96.8	Very high	0 Å²	0	90.3 Å²	90.3	0%	0	43%	0.433	C	S	.	.	H	α-helix	trans	-74.1	-30.8	177.2	-51.2	0	0	0	0	113.4	H32 M35 S45 I46 A47 S53	H32-S49 VanDerWaalsContact CA-OG 3.25Å; H32-S49 WeakPolarHBondContact CA-OG 3.05Å; H32-S49 WeakPolarHBondContact CB-OG 3.35Å; H32-S49 PolarHBondContact ND1-OG 2.98Å; M35-S49 PolarHBondContact SD-OG 2.95Å; S45-S49 PolarHBondContact O-OG 3.21Å; I46-S49 WeakPolarHBondContact O-CB 3.33Å; I46-S49 PolarHBondContact O-N 3.33Å; I46-S49 VanDerWaalsContact O-N 3.08Å; A47-S49 PolarHBondContact O-N 3.15Å; S49-S53 WeakPolarHBondContact O-CB 3.26Å; S49-S53 PolarHBondContact O-N 3.37Å; S49-S53 PolarHBondContact O-OG 3Å
50	V	97.8	Very high	96.9	Very high	46 Å²	46	83 Å²	83	28%	0.279	41%	0.414	S	S	.	.	H	α-helix	trans	-64.8	-50.7	171.6	174.6	0	0	0	0	109.4	A22 L24 V28 I46 A47 M52 S53 A54	A22-V50 HydrophobicContact CB-CG1 3.83Å; L24-V50 HydrophobicContact CD1-CG1 4.24Å; V28-V50 HydrophobicContact CG1-CG2 3.7Å; V28-V50 HydrophobicContact CG2-CG2 4.47Å; I46-V50 PolarHBondContact O-N 2.91Å; A47-V50 WeakPolarHBondContact O-CB 3.32Å; A47-V50 PolarHBondContact O-N 3.49Å; A47-V50 VanDerWaalsContact O-N 3.09Å; V50-M52 PolarHBondContact O-N 3.18Å; V50-S53 PolarHBondContact O-N 2.93Å; V50-S53 VanDerWaalsContact O-N 3.17Å; V50-A54 PolarHBondContact O-N 2.96Å
51	Y	98.2	Very high	97	Very high	172 Å²	172	76.9 Å²	76.9	68%	0.675	40%	0.401	S	S	*	.	H	α-helix	trans	-59	-49.4	178.9	-171.1	-92.6	0	0	0	111.9	A47 S53 A54 V55	A47-Y51 PolarHBondContact O-N 2.9Å; Y51-S53 VanDerWaalsContact C-N 3.28Å; Y51-S53 PolarHBondContact O-N 3.35Å; Y51-A54 WeakPolarHBondContact O-CB 3.38Å; Y51-A54 PolarHBondContact O-N 3.4Å; Y51-A54 VanDerWaalsContact O-N 3.13Å; Y51-V55 HydrophobicContact CD1-CG2 4.11Å; Y51-V55 HydrophobicContact CE1-CG2 3.76Å; Y51-V55 WeakPolarHBondContact O-CG2 3.46Å; Y51-V55 PolarHBondContact O-N 2.96Å
52	M	97.4	Very high	97.2	Very high	85 Å²	85	77.1 Å²	77.1	42%	0.419	39%	0.392	S	S	.	.	H	α-helix	trans	-59	-39.4	176.6	-176	62.9	75	0	0	112.4	V31 M35 A48 V50 V55 I56	V31-M52 HydrophobicContact CG1-CB 4.06Å; V31-M52 HydrophobicContact CG1-CG 3.83Å; M35-M52 HydrophobicContact SD-CB 4.37Å; A48-M52 VanDerWaalsContact O-CB 3.3Å; A48-M52 WeakPolarHBondContact O-CB 3.35Å; A48-M52 PolarHBondContact O-N 2.88Å; V50-M52 PolarHBondContact O-N 3.18Å; M52-V55 PolarHBondContact O-N 2.79Å; M52-I56 HydrophobicContact CG-CD1 4Å; M52-I56 VanDerWaalsContact O-CG1 3.3Å; M52-I56 WeakPolarHBondContact O-CG1 3.29Å; M52-I56 PolarHBondContact O-N 3.44Å; M52-I56 VanDerWaalsContact O-N 3.1Å; M52-I56 HydrophobicContact SD-CD1 4.24Å; M52-I56 HydrophobicContact SD-CG1 4.46Å
53	S	98	Very high	97.3	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-65.7	-40	177.5	-57	0	0	0	0	111.6	V28 V31 S49 V50 Y51 I56 E57	V28-S53 WeakPolarHBondContact CA-OG 3.27Å; V31-S53 WeakPolarHBondContact CB-OG 3.3Å; V31-S53 WeakPolarHBondContact CG2-OG 3.4Å; S49-S53 WeakPolarHBondContact O-CB 3.26Å; S49-S53 PolarHBondContact O-N 3.37Å; S49-S53 PolarHBondContact O-OG 3Å; V50-S53 PolarHBondContact O-N 2.93Å; V50-S53 VanDerWaalsContact O-N 3.17Å; Y51-S53 VanDerWaalsContact C-N 3.28Å; Y51-S53 PolarHBondContact O-N 3.35Å; S53-I56 PolarHBondContact O-N 2.62Å; S53-E57 WeakPolarHBondContact O-CB 3.29Å; S53-E57 PolarHBondContact O-N 2.78Å
54	A	98.2	Very high	97.4	Very high	38 Å²	38	61.9 Å²	61.9	31%	0.314	34%	0.344	S	S	.	.	H	α-helix	trans	-63.3	-43.9	177.1	0	0	0	0	0	112.1	L24 V50 Y51 E57 Y58	L24-A54 HydrophobicContact CD1-CB 4.16Å; L24-A54 HydrophobicContact CD2-CB 3.85Å; V50-A54 PolarHBondContact O-N 2.96Å; Y51-A54 WeakPolarHBondContact O-CB 3.38Å; Y51-A54 PolarHBondContact O-N 3.4Å; Y51-A54 VanDerWaalsContact O-N 3.13Å; A54-E57 PolarHBondContact O-N 3.18Å; A54-Y58 WeakPolarHBondContact O-CB 3.5Å; A54-Y58 PolarHBondContact O-N 3.32Å
55	V	98.1	Very high	97.5	Very high	55 Å²	55	66 Å²	66	33%	0.333	36%	0.361	S	S	.	.	H	α-helix	trans	-64.2	-44.2	178.1	175.2	0	0	0	0	111.5	Y51 M52 E57 Y58 L59	Y51-V55 HydrophobicContact CD1-CG2 4.11Å; Y51-V55 HydrophobicContact CE1-CG2 3.76Å; Y51-V55 WeakPolarHBondContact O-CG2 3.46Å; Y51-V55 PolarHBondContact O-N 2.96Å; M52-V55 PolarHBondContact O-N 2.79Å; V55-E57 VanDerWaalsContact C-N 3.3Å; V55-E57 PolarHBondContact O-N 3.32Å; V55-Y58 PolarHBondContact O-N 3.28Å; V55-L59 HydrophobicContact CG1-CD1 4.25Å; V55-L59 WeakPolarHBondContact O-CG 3.14Å; V55-L59 PolarHBondContact O-N 3.43Å
56	I	97.8	Very high	97.6	Very high	67 Å²	67	64.9 Å²	64.9	34%	0.344	35%	0.35	S	S	.	.	H	α-helix	trans	-63.9	-39.1	176.9	-64.7	168.6	0	0	0	110.6	I26 M52 S53 L59 V60	I26-I56 HydrophobicContact CD1-CB 4.04Å; I26-I56 HydrophobicContact CD1-CG2 3.58Å; M52-I56 HydrophobicContact CG-CD1 4Å; M52-I56 VanDerWaalsContact O-CG1 3.3Å; M52-I56 WeakPolarHBondContact O-CG1 3.29Å; M52-I56 PolarHBondContact O-N 3.44Å; M52-I56 VanDerWaalsContact O-N 3.1Å; M52-I56 HydrophobicContact SD-CD1 4.24Å; M52-I56 HydrophobicContact SD-CG1 4.46Å; S53-I56 PolarHBondContact O-N 2.62Å; I56-L59 PolarHBondContact O-N 2.89Å; I56-V60 HydrophobicContact CG2-CG2 4.32Å; I56-V60 WeakPolarHBondContact O-CB 3.49Å; I56-V60 VanDerWaalsContact O-CG2 3.27Å; I56-V60 WeakPolarHBondContact O-CG2 3.45Å; I56-V60 PolarHBondContact O-N 3.15Å
57	E	98.1	Very high	97.7	Very high	44 Å²	44	60.8 Å²	60.8	21%	0.206	33%	0.329	C	S	.	.	H	α-helix	trans	-63.6	-43.2	177.7	-172.1	164.9	143.8	0	0	111.7	L24 V25 I26 S53 A54 V55 V60 A61	L24-E57 WeakPolarHBondContact CA-OE2 3.49Å; L24-E57 WeakPolarHBondContact CB-OE2 3.03Å; V25-E57 VanDerWaalsContact N-CD 3.34Å; V25-E57 PolarHBondContact N-OE1 2.89Å; V25-E57 VanDerWaalsContact N-OE1 3.15Å; V25-E57 PolarHBondContact N-OE2 3.01Å; I26-E57 HydrophobicContact CD1-CB 3.78Å; I26-E57 HydrophobicContact CD1-CG 4.47Å; I26-E57 HydrophobicContact CG1-CB 4Å; I26-E57 HydrophobicContact CG1-CG 4.27Å; I26-E57 PolarHBondContact N-OE2 3.36Å; S53-E57 WeakPolarHBondContact O-CB 3.29Å; S53-E57 PolarHBondContact O-N 2.78Å; A54-E57 PolarHBondContact O-N 3.18Å; V55-E57 VanDerWaalsContact C-N 3.3Å; V55-E57 PolarHBondContact O-N 3.32Å; E57-V60 PolarHBondContact O-N 3.45Å; E57-A61 WeakPolarHBondContact O-CB 3.45Å; E57-A61 PolarHBondContact O-N 3.45Å
58	Y	97.9	Very high	97.8	Very high	133 Å²	133	58.7 Å²	58.7	52%	0.522	31%	0.314	S	S	.	.	H	α-helix	trans	-58.9	-51.1	173.8	168.9	-118	0	0	0	112.1	A54 V55 V60 A61 E62	A54-Y58 WeakPolarHBondContact O-CB 3.5Å; A54-Y58 PolarHBondContact O-N 3.32Å; V55-Y58 PolarHBondContact O-N 3.28Å; Y58-V60 VanDerWaalsContact C-N 3.34Å; Y58-V60 PolarHBondContact O-N 2.86Å; Y58-A61 WeakPolarHBondContact O-CB 3.5Å; Y58-A61 PolarHBondContact O-N 2.92Å; Y58-A61 VanDerWaalsContact O-N 3.17Å; Y58-E62 PolarHBondContact O-N 2.96Å
59	L	97.7	Very high	97.9	Very high	63 Å²	63	60.7 Å²	60.7	33%	0.33	32%	0.32	S	S	.	.	H	α-helix	trans	-63.2	-38.8	-179.7	-68	174.2	0	0	0	112.7	V55 I56 A61 E62 V63 L97	V55-L59 HydrophobicContact CG1-CD1 4.25Å; V55-L59 WeakPolarHBondContact O-CG 3.14Å; V55-L59 PolarHBondContact O-N 3.43Å; I56-L59 PolarHBondContact O-N 2.89Å; L59-A61 VanDerWaalsContact C-N 3.35Å; L59-E62 PolarHBondContact O-N 3.17Å; L59-V63 WeakPolarHBondContact O-CG2 3.31Å; L59-V63 PolarHBondContact O-N 3.03Å; L59-V63 VanDerWaalsContact O-N 3.07Å; L59-L97 HydrophobicContact CD2-CD2 4.21Å
60	V	97.9	Very high	97.9	Very high	73 Å²	73	61.4 Å²	61.4	44%	0.442	33%	0.326	S	S	.	.	H	α-helix	trans	-66.2	-39.8	176.1	170.2	0	0	0	0	110.9	I56 E57 Y58 N64	I56-V60 HydrophobicContact CG2-CG2 4.32Å; I56-V60 WeakPolarHBondContact O-CB 3.49Å; I56-V60 VanDerWaalsContact O-CG2 3.27Å; I56-V60 WeakPolarHBondContact O-CG2 3.45Å; I56-V60 PolarHBondContact O-N 3.15Å; E57-V60 PolarHBondContact O-N 3.45Å; Y58-V60 VanDerWaalsContact C-N 3.34Å; Y58-V60 PolarHBondContact O-N 2.86Å; V60-N64 VanDerWaalsContact O-CB 3.27Å; V60-N64 WeakPolarHBondContact O-CB 3.35Å; V60-N64 PolarHBondContact O-N 3.07Å; V60-N64 PolarHBondContact O-ND2 2.99Å
61	A	97.8	Very high	97.9	Very high	55 Å²	55	59.4 Å²	59.4	46%	0.455	31%	0.313	S	S	.	.	H	α-helix	trans	-62.8	-46	175.5	0	0	0	0	0	111.4	E57 Y58 L59 N64 E65	E57-A61 WeakPolarHBondContact O-CB 3.45Å; E57-A61 PolarHBondContact O-N 3.45Å; Y58-A61 WeakPolarHBondContact O-CB 3.5Å; Y58-A61 PolarHBondContact O-N 2.92Å; Y58-A61 VanDerWaalsContact O-N 3.17Å; L59-A61 VanDerWaalsContact C-N 3.35Å; A61-N64 PolarHBondContact O-N 3.45Å; A61-E65 WeakPolarHBondContact O-CB 3.33Å; A61-E65 PolarHBondContact O-N 3.13Å
62	E	97.7	Very high	97.9	Very high	66 Å²	66	59.1 Å²	59.1	31%	0.308	32%	0.316	S	S	.	.	H	α-helix	trans	-60.1	-49.8	180	-165.8	62.1	-150.1	0	0	111.9	Y58 L59 N64 E65 L66	Y58-E62 PolarHBondContact O-N 2.96Å; L59-E62 PolarHBondContact O-N 3.17Å; E62-N64 VanDerWaalsContact C-N 3.3Å; E62-N64 PolarHBondContact O-N 3.38Å; E62-E65 PolarHBondContact O-N 3.29Å; E62-L66 HydrophobicContact CG-CD1 4.48Å; E62-L66 WeakPolarHBondContact O-CG 3.36Å; E62-L66 PolarHBondContact O-N 2.87Å; E62-L66 VanDerWaalsContact O-N 3.13Å
63	V	97.9	Very high	97.9	Very high	31 Å²	31	58.9 Å²	58.9	19%	0.188	33%	0.327	C	S	.	.	H	α-helix	trans	-61.6	-40.5	177.2	174.4	0	0	0	0	110.9	L59 S67 I84 V88 L94	L59-V63 WeakPolarHBondContact O-CG2 3.31Å; L59-V63 PolarHBondContact O-N 3.03Å; L59-V63 VanDerWaalsContact O-N 3.07Å; V63-S67 WeakPolarHBondContact O-CB 3.27Å; V63-S67 PolarHBondContact O-N 3.36Å; V63-S67 PolarHBondContact O-OG 3.26Å; V63-I84 HydrophobicContact CG1-CG2 4.19Å; V63-V88 HydrophobicContact CG1-CG2 4.37Å; V63-L94 HydrophobicContact CG2-CD1 3.95Å; V63-L94 HydrophobicContact CG2-CD2 4.09Å
64	N	97.6	Very high	97.8	Very high	86 Å²	86	62.6 Å²	62.6	46%	0.46	35%	0.347	S	S	.	.	H	α-helix	trans	-68.2	-37.6	179.4	-78.2	-16.1	0	0	0	112.8	V60 A61 E62 G68	V60-N64 VanDerWaalsContact O-CB 3.27Å; V60-N64 WeakPolarHBondContact O-CB 3.35Å; V60-N64 PolarHBondContact O-N 3.07Å; V60-N64 PolarHBondContact O-ND2 2.99Å; A61-N64 PolarHBondContact O-N 3.45Å; E62-N64 VanDerWaalsContact C-N 3.3Å; E62-N64 PolarHBondContact O-N 3.38Å; N64-G68 WeakPolarHBondContact O-CA 3.27Å; N64-G68 PolarHBondContact O-N 3.26Å
65	E	97.9	Very high	97.7	Very high	112 Å²	112	70.1 Å²	70.1	52%	0.523	37%	0.373	S	S	.	.	H	α-helix	trans	-63.9	-52.5	178	-179.5	56.1	-149.4	0	0	110.5	A61 E62 S67 G68 N69	A61-E65 WeakPolarHBondContact O-CB 3.33Å; A61-E65 PolarHBondContact O-N 3.13Å; E62-E65 PolarHBondContact O-N 3.29Å; E65-S67 VanDerWaalsContact C-N 3.34Å; E65-S67 PolarHBondContact O-N 3.21Å; E65-G68 PolarHBondContact O-N 3.12Å; E65-N69 PolarHBondContact O-N 3.35Å; E65-N69 PolarHBondContact O-ND2 3.5Å; E65-N69 PolarHBondContact OE1-ND2 3.04Å
66	L	98.1	Very high	97.7	Very high	44 Å²	44	75.6 Å²	75.6	23%	0.23	39%	0.387	C	S	.	.	H	α-helix	trans	-63.1	-40	178.2	-63.6	173.6	0	0	0	112.1	E62 N69 A70 D91 L94	E62-L66 HydrophobicContact CG-CD1 4.48Å; E62-L66 WeakPolarHBondContact O-CG 3.36Å; E62-L66 PolarHBondContact O-N 2.87Å; E62-L66 VanDerWaalsContact O-N 3.13Å; L66-N69 PolarHBondContact O-N 2.98Å; L66-A70 WeakPolarHBondContact O-CB 3.46Å; L66-A70 PolarHBondContact O-N 3.46Å; L66-D91 HydrophobicContact CD1-CB 3.85Å; L66-L94 HydrophobicContact CD1-CD1 3.5Å; L66-L94 VanDerWaalsContact CD1-CD1 3.5Å
67	S	98	Very high	97.6	Very high	0 Å²	0	82.9 Å²	82.9	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-67.3	-36.8	175.7	-58.8	0	0	0	0	112.4	V63 E65 A70 A71 I84	V63-S67 WeakPolarHBondContact O-CB 3.27Å; V63-S67 PolarHBondContact O-N 3.36Å; V63-S67 PolarHBondContact O-OG 3.26Å; E65-S67 VanDerWaalsContact C-N 3.34Å; E65-S67 PolarHBondContact O-N 3.21Å; S67-A70 PolarHBondContact O-N 2.95Å; S67-A71 WeakPolarHBondContact O-CB 3.48Å; S67-A71 PolarHBondContact O-N 3.21Å; S67-I84 WeakPolarHBondContact OG-CA 3.3Å
68	G	98.2	Very high	97.6	Very high	25 Å²	25	85.7 Å²	85.7	26%	0.258	44%	0.437	S	S	.	.	H	α-helix	trans	-65.1	-43.6	175	0	0	0	0	0	111.5	N64 E65 A71 K72	N64-G68 WeakPolarHBondContact O-CA 3.27Å; N64-G68 PolarHBondContact O-N 3.26Å; E65-G68 PolarHBondContact O-N 3.12Å; G68-A71 WeakPolarHBondContact O-CB 3.41Å; G68-A71 PolarHBondContact O-N 3.36Å; G68-K72 WeakPolarHBondContact O-CB 3.47Å; G68-K72 PolarHBondContact O-N 3Å
69	N	97.8	Very high	97.6	Very high	80 Å²	80	82.8 Å²	82.8	43%	0.428	43%	0.429	S	S	.	.	H	α-helix	trans	-62.2	-42.7	174.3	-72.3	-31.4	0	0	0	111.7	E65 L66 A71 K72 A73	E65-N69 PolarHBondContact O-N 3.35Å; E65-N69 PolarHBondContact O-ND2 3.5Å; E65-N69 PolarHBondContact OE1-ND2 3.04Å; L66-N69 PolarHBondContact O-N 2.98Å; N69-A71 PolarHBondContact O-N 3.25Å; N69-K72 PolarHBondContact O-N 2.89Å; N69-A73 WeakPolarHBondContact O-CB 3.49Å; N69-A73 PolarHBondContact O-N 3.22Å
70	A	97.5	Very high	97.6	Very high	15 Å²	15	82.5 Å²	82.5	12%	0.124	43%	0.431	C	S	.	.	H	α-helix	trans	-64.2	-38.1	173.3	0	0	0	0	0	112.9	L66 S67 N74 H83 L86	L66-A70 WeakPolarHBondContact O-CB 3.46Å; L66-A70 PolarHBondContact O-N 3.46Å; S67-A70 PolarHBondContact O-N 2.95Å; A70-N74 PolarHBondContact O-N 3.18Å; A70-N74 VanDerWaalsContact O-N 3.15Å; A70-N74 PolarHBondContact O-ND2 2.97Å; A70-H83 HydrophobicContact CB-CB 4.25Å; A70-L86 HydrophobicContact CB-CB 4.11Å
71	A	98.1	Very high	97.6	Very high	3 Å²	3	81.8 Å²	81.8	3%	0.025	43%	0.427	C	S	.	.	H	α-helix	trans	-65	-44.1	175.3	0	0	0	0	0	111.6	S67 G68 N69 N74 K75 R76 I79 H83	S67-A71 WeakPolarHBondContact O-CB 3.48Å; S67-A71 PolarHBondContact O-N 3.21Å; G68-A71 WeakPolarHBondContact O-CB 3.41Å; G68-A71 PolarHBondContact O-N 3.36Å; N69-A71 PolarHBondContact O-N 3.25Å; A71-N74 CarbonylContact O-C 3.4Å; A71-N74 PolarHBondContact O-N 3.35Å; A71-N74 VanDerWaalsContact O-N 3.16Å; A71-K75 PolarHBondContact O-N 3.44Å; A71-R76 CarbonylContact C-O 3.43Å; A71-R76 PolarHBondContact O-N 3.49Å; A71-I79 HydrophobicContact CB-CG1 4.34Å; A71-H83 HydrophobicContact CB-CB 4.32Å; A71-H83 WeakPolarHBondContact CB-ND1 3.4Å
72	K	97.9	Very high	97.6	Very high	167 Å²	167	82.6 Å²	82.6	73%	0.726	42%	0.419	S	S	*	.	H	α-helix	trans	-61.9	-43.8	177	-172.6	178.4	178.9	-177.2	0	111.6	G68 N69 N74 K75	G68-K72 WeakPolarHBondContact O-CB 3.47Å; G68-K72 PolarHBondContact O-N 3Å; N69-K72 PolarHBondContact O-N 2.89Å; K72-N74 PolarHBondContact O-N 2.93Å; K72-K75 WeakPolarHBondContact O-CA 3.39Å; K72-K75 PolarHBondContact O-N 3.28Å
73	A	96.8	Very high	97.6	Very high	79 Å²	79	79.9 Å²	79.9	65%	0.653	41%	0.406	S	S	*	.	H	α-helix	trans	-59.6	-35.7	174.9	0	0	0	0	0	112.3	N69 K75	N69-A73 WeakPolarHBondContact O-CB 3.49Å; N69-A73 PolarHBondContact O-N 3.22Å; A73-K75 PolarHBondContact O-N 3.43Å
74	N	96.1	Very high	97.6	Very high	78 Å²	78	81.1 Å²	81.1	42%	0.417	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	12.1	174.8	-69.5	-54.8	0	0	0	113.9	A70 A71 K72 R76	A70-N74 PolarHBondContact O-N 3.18Å; A70-N74 VanDerWaalsContact O-N 3.15Å; A70-N74 PolarHBondContact O-ND2 2.97Å; A71-N74 CarbonylContact O-C 3.4Å; A71-N74 PolarHBondContact O-N 3.35Å; A71-N74 VanDerWaalsContact O-N 3.16Å; K72-N74 PolarHBondContact O-N 2.93Å; N74-R76 HydrophobicContact CB-CG 4.47Å; N74-R76 PolarHBondContact O-N 3.32Å
75	K	97.5	Very high	97.6	Very high	197 Å²	197	78.1 Å²	78.1	86%	0.857	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	33.3	-179.5	-52.9	177.4	-176.9	178.8	0	113.1	A71 K72 A73	A71-K75 PolarHBondContact O-N 3.44Å; K72-K75 WeakPolarHBondContact O-CA 3.39Å; K72-K75 PolarHBondContact O-N 3.28Å; A73-K75 PolarHBondContact O-N 3.43Å
76	R	97.2	Very high	97.6	Very high	170 Å²	170	73.9 Å²	73.9	64%	0.642	38%	0.375	S	S	*	.			trans	-112.4	146.9	176.6	-61.3	-59.3	-173.3	158	0.8	110.4	A71 N74	A71-R76 CarbonylContact C-O 3.43Å; A71-R76 PolarHBondContact O-N 3.49Å; N74-R76 HydrophobicContact CB-CG 4.47Å; N74-R76 PolarHBondContact O-N 3.32Å
77	K	96.5	Very high	97.6	Very high	219 Å²	219	72.1 Å²	72.1	95%	0.952	37%	0.368	S	S	*	.	S	Bend	trans	-94.4	-8.9	173.7	-63.5	-176.1	179.9	-179.3	0	113.2
78	T	97.8	Very high	97.5	Very high	103 Å²	103	72.1 Å²	72.1	63%	0.632	37%	0.368	S	S	*	.	S	Bend	trans	-119.3	131.7	-174.8	-51.6	0	0	0	0	110	H83	T78-H83 PolarHBondContact O-CE1 2.91Å; T78-H83 VanDerWaalsContact O-CE1 3.31Å; T78-H83 PolarHBondContact O-ND1 3.1Å
79	I	97.7	Very high	97.5	Very high	72 Å²	72	73 Å²	73	37%	0.369	36%	0.363	S	S	.	.			trans	-73.3	132.2	175	-61.7	174.5	0	0	0	108.7	A71 H83 I84	A71-I79 HydrophobicContact CB-CG1 4.34Å; I79-H83 HydrophobicContact CG2-CB 4.24Å; I79-I84 HydrophobicContact CG2-CD1 4.26Å; I79-I84 HydrophobicContact CG2-CG1 3.79Å
80	T	97.7	Very high	97.4	Very high	58 Å²	58	74.7 Å²	74.7	36%	0.356	37%	0.372	S	S	.	.			trans	-121.3	165.2	175.2	65.3	0	0	0	0	108.6	R82 H83 I84	T80-R82 PolarHBondContact O-N 3.29Å; T80-R82 VanDerWaalsContact O-N 3.08Å; T80-H83 PolarHBondContact N-ND1 3.47Å; T80-H83 VanDerWaalsContact N-ND1 3.17Å; T80-H83 WeakPolarHBondContact O-CB 3.39Å; T80-H83 PolarHBondContact O-N 2.96Å; T80-H83 PolarHBondContact OG1-CE1 3.03Å; T80-H83 PolarHBondContact OG1-ND1 3.01Å; T80-I84 PolarHBondContact O-N 3.05Å
81	P	98.1	Very high	97.4	Very high	57 Å²	57	76 Å²	76	37%	0.37	38%	0.377	S	S	.	.	H	α-helix	trans	-54.7	-30.2	177.1	-27.3	35.7	0	0	0	113.7	H83 I84 M85 S104 H105	P81-H83 PolarHBondContact O-N 3.23Å; P81-I84 PolarHBondContact O-N 2.91Å; P81-M85 PolarHBondContact O-N 3.41Å; P81-S104 VanDerWaalsContact CB-O 3.27Å; P81-S104 WeakPolarHBondContact CB-O 3.33Å; P81-H105 HydrophobicContact CB-CB 4.11Å; P81-H105 HydrophobicContact CG-CB 4.29Å
82	R	97.8	Very high	97.4	Very high	73 Å²	73	79.5 Å²	79.5	28%	0.275	41%	0.406	S	S	.	.	H	α-helix	trans	-60	-44.2	172.6	179.2	56.1	177	170.2	-2.1	112.4	T80 I84 M85 L86 G106 V108	T80-R82 PolarHBondContact O-N 3.29Å; T80-R82 VanDerWaalsContact O-N 3.08Å; R82-I84 VanDerWaalsContact C-N 3.34Å; R82-M85 PolarHBondContact O-N 3.15Å; R82-L86 HydrophobicContact CG-CD1 4.27Å; R82-L86 VanDerWaalsContact O-CG 3.3Å; R82-L86 WeakPolarHBondContact O-CG 3.34Å; R82-L86 PolarHBondContact O-N 3.45Å; R82-G106 WeakPolarHBondContact CD-O 3.45Å; R82-G106 PolarHBondContact NH1-O 3.43Å; R82-V108 VanDerWaalsContact CZ-O 3.24Å; R82-V108 PolarHBondContact NH1-O 3.49Å; R82-V108 PolarHBondContact NH2-O 3.19Å
83	H	98.1	Very high	97.4	Very high	9 Å²	9	78.8 Å²	78.8	4%	0.042	41%	0.406	C	S	.	.	H	α-helix	trans	-67.1	-37.6	-179.5	-55.6	148	0	0	0	111.5	A70 A71 T78 I79 T80 P81 L86 G87	A70-H83 HydrophobicContact CB-CB 4.25Å; A71-H83 HydrophobicContact CB-CB 4.32Å; A71-H83 WeakPolarHBondContact CB-ND1 3.4Å; T78-H83 PolarHBondContact O-CE1 2.91Å; T78-H83 VanDerWaalsContact O-CE1 3.31Å; T78-H83 PolarHBondContact O-ND1 3.1Å; I79-H83 HydrophobicContact CG2-CB 4.24Å; T80-H83 PolarHBondContact N-ND1 3.47Å; T80-H83 VanDerWaalsContact N-ND1 3.17Å; T80-H83 WeakPolarHBondContact O-CB 3.39Å; T80-H83 PolarHBondContact O-N 2.96Å; T80-H83 PolarHBondContact OG1-CE1 3.03Å; T80-H83 PolarHBondContact OG1-ND1 3.01Å; P81-H83 PolarHBondContact O-N 3.23Å; H83-L86 PolarHBondContact O-N 2.8Å; H83-G87 PolarHBondContact O-N 3.44Å
84	I	98	Very high	97.4	Very high	57 Å²	57	75.4 Å²	75.4	29%	0.292	38%	0.376	S	S	.	.	H	α-helix	trans	-63.1	-47.5	174.3	-57.4	173.9	0	0	0	110.5	V63 S67 I79 T80 P81 R82 L86 G87 V88 I103	V63-I84 HydrophobicContact CG1-CG2 4.19Å; S67-I84 WeakPolarHBondContact OG-CA 3.3Å; I79-I84 HydrophobicContact CG2-CD1 4.26Å; I79-I84 HydrophobicContact CG2-CG1 3.79Å; T80-I84 PolarHBondContact O-N 3.05Å; P81-I84 PolarHBondContact O-N 2.91Å; R82-I84 VanDerWaalsContact C-N 3.34Å; I84-L86 VanDerWaalsContact C-N 3.34Å; I84-L86 PolarHBondContact O-N 3.15Å; I84-G87 PolarHBondContact O-N 2.82Å; I84-V88 HydrophobicContact CG2-CG2 4.17Å; I84-V88 WeakPolarHBondContact O-CB 3.34Å; I84-V88 WeakPolarHBondContact O-CG2 3.48Å; I84-V88 PolarHBondContact O-N 2.72Å; I84-I103 HydrophobicContact CG2-CD1 4.28Å
85	M	97.4	Very high	97.5	Very high	23 Å²	23	74.6 Å²	74.6	11%	0.113	37%	0.372	C	S	.	.	H	α-helix	trans	-60.6	-42	177.6	-178.7	60.7	175.3	0	0	112.3	P81 R82 R89 I103 G106 G107	P81-M85 PolarHBondContact O-N 3.41Å; R82-M85 PolarHBondContact O-N 3.15Å; M85-R89 HydrophobicContact CE-CG 3.42Å; M85-R89 VanDerWaalsContact CE-CG 3.42Å; M85-R89 HydrophobicContact CG-CG 4.31Å; M85-R89 WeakPolarHBondContact O-CB 3.33Å; M85-R89 VanDerWaalsContact O-CG 3.26Å; M85-R89 WeakPolarHBondContact O-CG 3.39Å; M85-R89 PolarHBondContact O-N 2.88Å; M85-R89 HydrophobicContact SD-CG 3.4Å; M85-R89 WeakPolarHBondContact SD-CG 3.46Å; M85-I103 HydrophobicContact CB-CD1 4.41Å; M85-I103 HydrophobicContact CB-CG2 4.43Å; M85-I103 HydrophobicContact SD-CB 4.35Å; M85-I103 HydrophobicContact SD-CD1 3.95Å; M85-G106 WeakPolarHBondContact CG-O 3.44Å; M85-G107 VanDerWaalsContact CE-O 3.25Å; M85-G107 WeakPolarHBondContact CE-O 3.46Å; M85-G107 WeakPolarHBondContact CG-O 3.35Å
86	L	97.6	Very high	97.5	Very high	22 Å²	22	70.7 Å²	70.7	12%	0.115	36%	0.357	C	S	.	.	H	α-helix	trans	-64.7	-43.6	176.5	-71.1	178.4	0	0	0	112.1	A70 R82 H83 I84 N90 L109	A70-L86 HydrophobicContact CB-CB 4.11Å; R82-L86 HydrophobicContact CG-CD1 4.27Å; R82-L86 VanDerWaalsContact O-CG 3.3Å; R82-L86 WeakPolarHBondContact O-CG 3.34Å; R82-L86 PolarHBondContact O-N 3.45Å; H83-L86 PolarHBondContact O-N 2.8Å; I84-L86 VanDerWaalsContact C-N 3.34Å; I84-L86 PolarHBondContact O-N 3.15Å; L86-N90 VanDerWaalsContact O-CB 3.29Å; L86-N90 WeakPolarHBondContact O-CB 3.3Å; L86-N90 VanDerWaalsContact O-CG 3.28Å; L86-N90 PolarHBondContact O-N 3.13Å; L86-N90 PolarHBondContact O-ND2 3.01Å; L86-L109 HydrophobicContact CD2-CD2 3.74Å
87	G	96.8	Very high	97.5	Very high	7 Å²	7	67.7 Å²	67.7	7%	0.072	35%	0.353	C	S	.	.	H	α-helix	trans	-63.3	-52	177.7	0	0	0	0	0	111.8	H83 I84 R89 D91	H83-G87 PolarHBondContact O-N 3.44Å; I84-G87 PolarHBondContact O-N 2.82Å; G87-R89 PolarHBondContact O-N 3.09Å; G87-D91 PolarHBondContact O-N 2.98Å
88	V	97.6	Very high	97.6	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-63.6	-40.7	-177.3	168.1	0	0	0	0	112.7	V63 I84 L94 N95 L98 I103	V63-V88 HydrophobicContact CG1-CG2 4.37Å; I84-V88 HydrophobicContact CG2-CG2 4.17Å; I84-V88 WeakPolarHBondContact O-CB 3.34Å; I84-V88 WeakPolarHBondContact O-CG2 3.48Å; I84-V88 PolarHBondContact O-N 2.72Å; V88-L94 HydrophobicContact CG1-CB 4.31Å; V88-L94 HydrophobicContact CG2-CD1 4.46Å; V88-N95 PolarHBondContact O-N 3.05Å; V88-L98 HydrophobicContact CG1-CB 4.06Å; V88-L98 HydrophobicContact CG1-CD1 3.69Å; V88-L98 HydrophobicContact CG1-CG 4.42Å; V88-L98 HydrophobicContact CG2-CD1 3.96Å; V88-I103 HydrophobicContact CB-CD1 4.39Å; V88-I103 HydrophobicContact CG1-CD1 4.42Å; V88-I103 HydrophobicContact CG2-CD1 4.48Å
89	R	97.4	Very high	97.5	Very high	43 Å²	43	59.8 Å²	59.8	16%	0.162	31%	0.312	C	S	.	.	H	α-helix	trans	-83.3	-21.5	-175.5	-62.5	-59.7	176.9	-152.4	-4.4	114.3	M85 G87 N95 L98 V101 L109	M85-R89 HydrophobicContact CE-CG 3.42Å; M85-R89 VanDerWaalsContact CE-CG 3.42Å; M85-R89 HydrophobicContact CG-CG 4.31Å; M85-R89 WeakPolarHBondContact O-CB 3.33Å; M85-R89 VanDerWaalsContact O-CG 3.26Å; M85-R89 WeakPolarHBondContact O-CG 3.39Å; M85-R89 PolarHBondContact O-N 2.88Å; M85-R89 HydrophobicContact SD-CG 3.4Å; M85-R89 WeakPolarHBondContact SD-CG 3.46Å; G87-R89 PolarHBondContact O-N 3.09Å; R89-N95 WeakPolarHBondContact CD-OD1 3.49Å; R89-N95 PolarHBondContact NH1-OD1 3.44Å; R89-L98 PolarHBondContact NH1-O 2.64Å; R89-L98 PolarHBondContact NH2-O 3.03Å; R89-L98 VanDerWaalsContact NH2-O 3.11Å; R89-V101 PolarHBondContact NH2-O 2.95Å; R89-L109 HydrophobicContact CB-CD1 3.61Å; R89-L109 HydrophobicContact CB-CD2 4.14Å; R89-L109 HydrophobicContact CB-CG 3.74Å
90	N	96.6	Very high	97.5	Very high	116 Å²	116	64.8 Å²	64.8	62%	0.62	33%	0.333	S	S	*	.	H	α-helix	trans	-82.6	-19.3	173.9	-74.5	-41.1	0	0	0	112.5	L86 L109	L86-N90 VanDerWaalsContact O-CB 3.29Å; L86-N90 WeakPolarHBondContact O-CB 3.3Å; L86-N90 VanDerWaalsContact O-CG 3.28Å; L86-N90 PolarHBondContact O-N 3.13Å; L86-N90 PolarHBondContact O-ND2 3.01Å; N90-L109 WeakPolarHBondContact OD1-CD2 3.4Å
91	D	97.5	Very high	97.5	Very high	41 Å²	41	65.4 Å²	65.4	22%	0.219	34%	0.337	C	S	.	.	S	Bend	trans	-91	132	175.1	179.9	64.4	0	0	0	111.6	L66 G87 E93 L94 N95	L66-D91 HydrophobicContact CD1-CB 3.85Å; G87-D91 PolarHBondContact O-N 2.98Å; D91-E93 PolarHBondContact OD2-N 3.31Å; D91-L94 HydrophobicContact CB-CB 4.2Å; D91-L94 HydrophobicContact CB-CD1 4.36Å; D91-L94 HydrophobicContact CB-CG 4.44Å; D91-L94 WeakPolarHBondContact OD2-CB 3.28Å; D91-L94 VanDerWaalsContact OD2-CG 3.31Å; D91-L94 WeakPolarHBondContact OD2-CG 3.47Å; D91-L94 PolarHBondContact OD2-N 3.17Å; D91-N95 WeakPolarHBondContact O-CB 3.33Å; D91-N95 PolarHBondContact O-N 2.94Å
92	A	97.4	Very high	97.5	Very high	78 Å²	78	70.3 Å²	70.3	65%	0.645	36%	0.355	S	S	*	.	H	α-helix	trans	-70	-40.7	-173.9	0	0	0	0	0	112.3	E96	A92-E96 PolarHBondContact O-N 3.11Å; A92-E96 VanDerWaalsContact O-N 3.15Å
93	E	97.7	Very high	97.4	Very high	151 Å²	151	68.3 Å²	68.3	71%	0.706	35%	0.349	S	S	*	.	H	α-helix	trans	-73.2	-45.9	-175.4	-59.2	-170.6	153.2	0	0	110.9	D91 E96 L97	D91-E93 PolarHBondContact OD2-N 3.31Å; E93-E96 PolarHBondContact O-N 3.48Å; E93-L97 WeakPolarHBondContact O-CB 3.47Å; E93-L97 PolarHBondContact O-N 2.96Å
94	L	97.8	Very high	97.4	Very high	8 Å²	8	71.4 Å²	71.4	4%	0.042	37%	0.372	C	S	.	.	H	α-helix	trans	-67.8	-35.3	175.8	-67.7	-178.1	0	0	0	112.3	V63 L66 V88 D91 E96 L97 L98	V63-L94 HydrophobicContact CG2-CD1 3.95Å; V63-L94 HydrophobicContact CG2-CD2 4.09Å; L66-L94 HydrophobicContact CD1-CD1 3.5Å; L66-L94 VanDerWaalsContact CD1-CD1 3.5Å; V88-L94 HydrophobicContact CG1-CB 4.31Å; V88-L94 HydrophobicContact CG2-CD1 4.46Å; D91-L94 HydrophobicContact CB-CB 4.2Å; D91-L94 HydrophobicContact CB-CD1 4.36Å; D91-L94 HydrophobicContact CB-CG 4.44Å; D91-L94 WeakPolarHBondContact OD2-CB 3.28Å; D91-L94 VanDerWaalsContact OD2-CG 3.31Å; D91-L94 WeakPolarHBondContact OD2-CG 3.47Å; D91-L94 PolarHBondContact OD2-N 3.17Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-L97 HydrophobicContact CD2-CD2 4.33Å; L94-L97 PolarHBondContact O-N 3.27Å; L94-L98 VanDerWaalsContact O-CB 3.29Å; L94-L98 WeakPolarHBondContact O-CB 3.22Å; L94-L98 PolarHBondContact O-N 3.06Å
95	N	97.3	Very high	97.4	Very high	61 Å²	61	76.9 Å²	76.9	33%	0.326	40%	0.396	S	S	.	.	H	α-helix	trans	-65.2	-38.8	176.4	-176.4	52.1	0	0	0	111.6	V88 R89 D91 L98 K99	V88-N95 PolarHBondContact O-N 3.05Å; R89-N95 WeakPolarHBondContact CD-OD1 3.49Å; R89-N95 PolarHBondContact NH1-OD1 3.44Å; D91-N95 WeakPolarHBondContact O-CB 3.33Å; D91-N95 PolarHBondContact O-N 2.94Å; N95-L98 CarbonylContact O-C 3.5Å; N95-K99 WeakPolarHBondContact O-CA 3.33Å; N95-K99 PolarHBondContact O-N 2.64Å; N95-K99 VanDerWaalsContact O-N 3.07Å
96	E	98	Very high	97.4	Very high	115 Å²	115	75.9 Å²	75.9	54%	0.537	39%	0.391	S	S	.	.	H	α-helix	trans	-71.7	-44.4	174.6	-172.2	58.4	-157.1	0	0	111.3	A92 E93 L94 L98 K99	A92-E96 PolarHBondContact O-N 3.11Å; A92-E96 VanDerWaalsContact O-N 3.15Å; E93-E96 PolarHBondContact O-N 3.48Å; L94-E96 VanDerWaalsContact C-N 3.32Å; E96-L98 VanDerWaalsContact C-N 3.27Å; E96-L98 PolarHBondContact O-N 3.3Å; E96-K99 WeakPolarHBondContact O-CB 3.25Å; E96-K99 PolarHBondContact O-N 3.34Å; E96-K99 IonicContact OE1-NZ 3.38Å; E96-K99 PolarHBondContact OE1-NZ 3.38Å; E96-K99 IonicContact OE2-NZ 3.36Å; E96-K99 PolarHBondContact OE2-NZ 3.41Å
97	L	97.6	Very high	97.3	Very high	108 Å²	108	77.3 Å²	77.3	57%	0.565	41%	0.411	S	S	*	.	H	α-helix	trans	-58.6	-38.3	177	-178.3	62.8	0	0	0	112.4	L59 E93 L94	L59-L97 HydrophobicContact CD2-CD2 4.21Å; E93-L97 WeakPolarHBondContact O-CB 3.47Å; E93-L97 PolarHBondContact O-N 2.96Å; L94-L97 HydrophobicContact CD2-CD2 4.33Å; L94-L97 PolarHBondContact O-N 3.27Å
98	L	97.3	Very high	97.3	Very high	44 Å²	44	82.3 Å²	82.3	23%	0.23	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	28.7	-176.2	-57.1	178.4	0	0	0	112.6	V88 R89 L94 N95 E96 H100 V101	V88-L98 HydrophobicContact CG1-CB 4.06Å; V88-L98 HydrophobicContact CG1-CD1 3.69Å; V88-L98 HydrophobicContact CG1-CG 4.42Å; V88-L98 HydrophobicContact CG2-CD1 3.96Å; R89-L98 PolarHBondContact NH1-O 2.64Å; R89-L98 PolarHBondContact NH2-O 3.03Å; R89-L98 VanDerWaalsContact NH2-O 3.11Å; L94-L98 VanDerWaalsContact O-CB 3.29Å; L94-L98 WeakPolarHBondContact O-CB 3.22Å; L94-L98 PolarHBondContact O-N 3.06Å; N95-L98 CarbonylContact O-C 3.5Å; E96-L98 VanDerWaalsContact C-N 3.27Å; E96-L98 PolarHBondContact O-N 3.3Å; L98-H100 VanDerWaalsContact C-N 3.28Å; L98-H100 PolarHBondContact O-N 3.07Å; L98-V101 HydrophobicContact CB-CB 4.19Å; L98-V101 HydrophobicContact CB-CG2 4.3Å; L98-V101 HydrophobicContact CD2-CB 4.47Å; L98-V101 HydrophobicContact CD2-CG2 3.94Å; L98-V101 PolarHBondContact O-N 3.09Å
99	K	97.1	Very high	97.2	Very high	112 Å²	112	84.9 Å²	84.9	49%	0.487	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-39.4	-178.3	-174.8	176.9	-164.2	156.8	0	113.6	N95 E96	N95-K99 WeakPolarHBondContact O-CA 3.33Å; N95-K99 PolarHBondContact O-N 2.64Å; N95-K99 VanDerWaalsContact O-N 3.07Å; E96-K99 WeakPolarHBondContact O-CB 3.25Å; E96-K99 PolarHBondContact O-N 3.34Å; E96-K99 IonicContact OE1-NZ 3.38Å; E96-K99 PolarHBondContact OE1-NZ 3.38Å; E96-K99 IonicContact OE2-NZ 3.36Å; E96-K99 PolarHBondContact OE2-NZ 3.41Å
100	H	97.6	Very high	97.1	Very high	177 Å²	177	88.2 Å²	88.2	82%	0.819	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	13	-177.1	-57.5	-60.1	0	0	0	113.6	L98	L98-H100 VanDerWaalsContact C-N 3.28Å; L98-H100 PolarHBondContact O-N 3.07Å
101	V	97.8	Very high	97	Very high	71 Å²	71	88.1 Å²	88.1	43%	0.43	49%	0.488	S	S	.	.			trans	-100.1	123.9	-179.3	179.2	0	0	0	0	110.1	R89 L98	R89-V101 PolarHBondContact NH2-O 2.95Å; L98-V101 HydrophobicContact CB-CB 4.19Å; L98-V101 HydrophobicContact CB-CG2 4.3Å; L98-V101 HydrophobicContact CD2-CB 4.47Å; L98-V101 HydrophobicContact CD2-CG2 3.94Å; L98-V101 PolarHBondContact O-N 3.09Å
102	H	97.2	Very high	96.9	Very high	160 Å²	160	91.6 Å²	91.6	74%	0.741	51%	0.505	S	S	*	.			trans	-89.9	118.8	172.9	179.8	-105.2	0	0	0	110.8
103	I	96.9	Very high	96.8	Very high	31 Å²	31	93.6 Å²	93.6	16%	0.159	50%	0.501	C	S	.	.			trans	-92.8	102	177.5	-58.5	173.6	0	0	0	108.8	I84 M85 V88 H105 G106	I84-I103 HydrophobicContact CG2-CD1 4.28Å; M85-I103 HydrophobicContact CB-CD1 4.41Å; M85-I103 HydrophobicContact CB-CG2 4.43Å; M85-I103 HydrophobicContact SD-CB 4.35Å; M85-I103 HydrophobicContact SD-CD1 3.95Å; V88-I103 HydrophobicContact CB-CD1 4.39Å; V88-I103 HydrophobicContact CG1-CD1 4.42Å; V88-I103 HydrophobicContact CG2-CD1 4.48Å; I103-H105 PolarHBondContact O-N 3.24Å; I103-G106 PolarHBondContact O-N 2.98Å; I103-G106 VanDerWaalsContact O-N 3.08Å
104	S	97.5	Very high	96.6	Very high	74 Å²	74	90.9 Å²	90.9	52%	0.517	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	135.5	177.6	-57.5	0	0	0	0	111.5	P81 G106	P81-S104 VanDerWaalsContact CB-O 3.27Å; P81-S104 WeakPolarHBondContact CB-O 3.33Å; S104-G106 PolarHBondContact O-N 3.08Å
105	H	97.3	Very high	96.4	Very high	172 Å²	172	94.4 Å²	94.4	80%	0.796	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	17	-176.1	-52.7	-79.4	0	0	0	115.4	P81 I103	P81-H105 HydrophobicContact CB-CB 4.11Å; P81-H105 HydrophobicContact CG-CB 4.29Å; I103-H105 PolarHBondContact O-N 3.24Å
106	G	96.8	Very high	96.2	Very high	1 Å²	1	98 Å²	98	1%	0.01	55%	0.545	C	S	.	.			trans	-79.6	-26.7	178.5	0	0	0	0	0	115.2	R82 M85 I103 S104	R82-G106 WeakPolarHBondContact CD-O 3.45Å; R82-G106 PolarHBondContact NH1-O 3.43Å; M85-G106 WeakPolarHBondContact CG-O 3.44Å; I103-G106 PolarHBondContact O-N 2.98Å; I103-G106 VanDerWaalsContact O-N 3.08Å; S104-G106 PolarHBondContact O-N 3.08Å
107	G	96.6	Very high	95.9	Very high	53 Å²	53	97.2 Å²	97.2	55%	0.546	54%	0.544	S	S	.	.			trans	63.9	-158.6	-168.5	0	0	0	0	0	112.2	M85	M85-G107 VanDerWaalsContact CE-O 3.25Å; M85-G107 WeakPolarHBondContact CE-O 3.46Å; M85-G107 WeakPolarHBondContact CG-O 3.35Å
108	V	96.3	Very high	95.5	Very high	111 Å²	111	101.7 Å²	101.7	67%	0.673	56%	0.559	S	S	*	*			trans	-122.9	161.1	-179.5	-62.5	0	0	0	0	111.8	R82	R82-V108 VanDerWaalsContact CZ-O 3.24Å; R82-V108 PolarHBondContact NH1-O 3.49Å; R82-V108 PolarHBondContact NH2-O 3.19Å
109	L	95.4	Very high	94.7	Very high	56 Å²	56	110.9 Å²	110.9	29%	0.293	59%	0.591	S	S	.	*			trans	-61.7	133.6	169.8	-73.9	178.8	0	0	0	109.5	L86 R89 N90 C111	L86-L109 HydrophobicContact CD2-CD2 3.74Å; R89-L109 HydrophobicContact CB-CD1 3.61Å; R89-L109 HydrophobicContact CB-CD2 4.14Å; R89-L109 HydrophobicContact CB-CG 3.74Å; N90-L109 WeakPolarHBondContact OD1-CD2 3.4Å; L109-C111 PolarHBondContact O-N 3.09Å
110	P	95.3	Very high	93.4	Very high	112 Å²	112	113.2 Å²	113.2	73%	0.727	60%	0.601	S	S	*	*			trans	-59.7	113.4	174	-22	34.2	0	0	0	110.1
111	C	94.6	Very high	91.4	Very high	114 Å²	114	107.4 Å²	107.4	77%	0.77	59%	0.589	S	S	*	*			trans	-147.2	126.6	179.6	-174.5	0	0	0	0	109	L109	L109-C111 PolarHBondContact O-N 3.09Å
112	I	96	Very high	89.1	Confident	114 Å²	114	109.7 Å²	109.7	59%	0.585	60%	0.602	S	S	*	*			trans	-120.6	122.5	173.1	-59.1	174.5	0	0	0	106.6	L116 L117	I112-L116 HydrophobicContact CG2-CB 3.94Å; I112-L117 HydrophobicContact CB-CD2 4.33Å; I112-L117 HydrophobicContact CG2-CD2 3.83Å; I112-L117 HydrophobicContact CG2-CG 4.42Å
113	H	95	Very high	86.6	Confident	121 Å²	121	108.3 Å²	108.3	56%	0.56	60%	0.6	S	S	*	*			trans	-60	134.5	176.9	-172.7	-86.2	0	0	0	109.7	A115 L116	H113-A115 VanDerWaalsContact ND1-CB 3.32Å; H113-A115 WeakPolarHBondContact ND1-CB 3.39Å; H113-A115 PolarHBondContact ND1-N 3.12Å; H113-A115 PolarHBondContact O-N 3.27Å; H113-L116 HydrophobicContact CB-CD1 4.36Å; H113-L116 HydrophobicContact CB-CG 4.39Å; H113-L116 WeakPolarHBondContact O-CB 3.49Å; H113-L116 PolarHBondContact O-N 3.02Å
114	P	92.5	Very high	83.8	Confident	93 Å²	93	112.1 Å²	112.1	60%	0.604	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-57.4	-28.2	-172.6	20.2	-33.4	0	0	0	114	L116 L117	P114-L116 PolarHBondContact O-N 3.39Å; P114-L117 WeakPolarHBondContact O-CB 3.41Å; P114-L117 PolarHBondContact O-N 3.31Å
115	A	93.9	Very high	81	Confident	82 Å²	82	115.7 Å²	115.7	68%	0.678	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-64.8	-21.1	174.8	0	0	0	0	0	114.3	H113	H113-A115 VanDerWaalsContact ND1-CB 3.32Å; H113-A115 WeakPolarHBondContact ND1-CB 3.39Å; H113-A115 PolarHBondContact ND1-N 3.12Å; H113-A115 PolarHBondContact O-N 3.27Å
116	L	93.4	Very high	78.2	Confident	136 Å²	136	112.3 Å²	112.3	71%	0.712	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-90.8	-6.8	178	-57.8	179.2	0	0	0	112.6	I112 H113 P114	I112-L116 HydrophobicContact CG2-CB 3.94Å; H113-L116 HydrophobicContact CB-CD1 4.36Å; H113-L116 HydrophobicContact CB-CG 4.39Å; H113-L116 WeakPolarHBondContact O-CB 3.49Å; H113-L116 PolarHBondContact O-N 3.02Å; P114-L116 PolarHBondContact O-N 3.39Å
117	L	91.5	Very high	75.1	Confident	100 Å²	100	119 Å²	119	52%	0.524	68%	0.677	S	S	.	*	S	Bend	trans	-73.6	137.8	173.5	-61	177.2	0	0	0	108.5	I112 P114 R119	I112-L117 HydrophobicContact CB-CD2 4.33Å; I112-L117 HydrophobicContact CG2-CD2 3.83Å; I112-L117 HydrophobicContact CG2-CG 4.42Å; P114-L117 WeakPolarHBondContact O-CB 3.41Å; P114-L117 PolarHBondContact O-N 3.31Å; L117-R119 PolarHBondContact O-N 2.86Å; L117-R119 VanDerWaalsContact O-N 3.09Å
118	K	90.3	Very high	72.4	Confident	201 Å²	201	119.5 Å²	119.5	87%	0.874	68%	0.682	S	S	*	*			trans	-52	125.3	167.9	-66.7	-176.9	-179.3	-177.9	0	106.9	K120	K118-K120 PolarHBondContact O-N 3.25Å
119	R	79.2	Confident	69.8	Low	238 Å²	238	123.6 Å²	123.6	90%	0.898	69%	0.694	S	S	*	*			trans	-51	114.5	171.8	-175.2	-179.8	-71.2	168.3	-2.3	105.4	L117 G121	L117-R119 PolarHBondContact O-N 2.86Å; L117-R119 VanDerWaalsContact O-N 3.09Å; R119-G121 PolarHBondContact O-N 2.77Å
120	K	70.1	Confident	66.9	Low	161 Å²	161	125 Å²	125	70%	0.7	72%	0.722	S	S	*	*			trans	-63.5	92.4	175.9	-169.1	174.5	-177.3	-179	0	105.1	K118 V122 L123	K118-K120 PolarHBondContact O-N 3.25Å; K120-V122 PolarHBondContact O-N 3.08Å; K120-L123 HydrophobicContact CG-CG 4.48Å
121	G	56.3	Low	63.9	Low	55 Å²	55	123.3 Å²	123.3	57%	0.567	73%	0.725	S	S	*	*			trans	-49.3	126.9	162.6	0	0	0	0	0	105.1	R119 L123	R119-G121 PolarHBondContact O-N 2.77Å; G121-L123 PolarHBondContact O-N 3.46Å
122	V	48.6	Very low	61.2	Low	118 Å²	118	122.7 Å²	122.7	72%	0.715	73%	0.728	S	S	*	*			trans	-30.4	110.4	-179.6	-171.9	0	0	0	0	108.6	K120 T124	K120-V122 PolarHBondContact O-N 3.08Å; V122-T124 HydrophobicContact CB-CG2 3.98Å; V122-T124 HydrophobicContact CG1-CG2 3.36Å; V122-T124 PolarHBondContact O-N 3.3Å
123	L	46	Very low	58.2	Low	131 Å²	131	122 Å²	122	69%	0.686	74%	0.739	S	S	*	*			trans	-69.8	80.4	161.7	-72.8	-179.1	0	0	0	104.4	K120 G121 N125	K120-L123 HydrophobicContact CG-CG 4.48Å; G121-L123 PolarHBondContact O-N 3.46Å; L123-N125 PolarHBondContact O-N 3.09Å
124	T	37.7	Very low	56.2	Low	112 Å²	112	124.1 Å²	124.1	69%	0.687	75%	0.753	S	S	*	*			trans	-66.3	91.2	163.6	49.7	0	0	0	0	105.3	V122 S126	V122-T124 HydrophobicContact CB-CG2 3.98Å; V122-T124 HydrophobicContact CG1-CG2 3.36Å; V122-T124 PolarHBondContact O-N 3.3Å; T124-S126 PolarHBondContact O-N 2.88Å
125	N	38	Very low	53.8	Low	149 Å²	149	124.8 Å²	124.8	80%	0.797	76%	0.76	S	S	*	*			trans	-64.2	121.7	151.2	-99.7	10.6	0	0	0	106.8	L123	L123-N125 PolarHBondContact O-N 3.09Å
126	S	38.4	Very low	51.3	Low	100 Å²	100	124 Å²	124	70%	0.699	76%	0.76	S	S	*	*			trans	87.2	121.1	157.7	-50.2	0	0	0	0	117.7	T124 G128	T124-S126 PolarHBondContact O-N 2.88Å; S126-G128 PolarHBondContact O-N 3.19Å
127	P	32.3	Very low	49	Very low	142 Å²	142	124.2 Å²	124.2	92%	0.922	77%	0.767	S	S	*	*			trans	-72.9	113.5	164.6	30.8	-27.6	0	0	0	107.9
128	G	40.8	Very low	46.5	Very low	63 Å²	63	123.9 Å²	123.9	65%	0.649	77%	0.773	S	S	*	*			trans	-160.9	88	-177.5	0	0	0	0	0	111.8	S126	S126-G128 PolarHBondContact O-N 3.19Å
129	Q	40.9	Very low	44.5	Very low	198 Å²	198	121.8 Å²	121.8	93%	0.925	77%	0.771	S	S	*	*			trans	49.7	106.7	145.4	-59.1	179.1	31.5	0	0	118.9
130	G	33.4	Very low	42.7	Very low	85 Å²	85	115.4 Å²	115.4	88%	0.876	76%	0.762	S	S	*	*				78.1	127.3	126.4	0	0	0	0	0	119.8
131	G	33.8	Very low	41.4	Very low	77 Å²	77	112.6 Å²	112.6	79%	0.794	76%	0.763	S	S	*	*			trans	117.9	95.4	141.8	0	0	0	0	0	117.7
132	A	37	Very low	40.9	Very low	101 Å²	101	122.1 Å²	122.1	84%	0.835	78%	0.782	S	S	*	*			trans	48	121.6	137.2	0	0	0	0	0	121.5
133	A	34.1	Very low	40.6	Very low	100 Å²	100	125.9 Å²	125.9	83%	0.826	79%	0.791	S	S	*	*			trans	-55.8	136.1	166.1	0	0	0	0	0	114
134	I	51.4	Low	40.5	Very low	165 Å²	165	123.7 Å²	123.7	85%	0.846	79%	0.792	S	S	*	*			trans	-146.4	136.2	151.5	-43.9	175.2	0	0	0	110
135	S	43.8	Very low	41	Very low	107 Å²	107	123.6 Å²	123.6	75%	0.748	80%	0.796	S	S	*	*			trans	-59.6	146.1	-177.5	56.1	0	0	0	0	116.4
136	G	39.6	Very low	41.5	Very low	66 Å²	66	122.7 Å²	122.7	68%	0.68	80%	0.801	S	S	*	*			trans	40.1	123.5	136.3	0	0	0	0	0	120.7
137	T	46.2	Very low	42	Very low	139 Å²	139	121.7 Å²	121.7	85%	0.853	81%	0.807	S	S	*	*				-176.9	128	127.4	21.2	0	0	0	0	111
138	S	39.5	Very low	43.1	Very low	94 Å²	94	122.8 Å²	122.8	66%	0.657	80%	0.803	S	S	*	*			trans	10.4	159.5	146.1	59.3	0	0	0	0	123.5
139	L	48	Very low	43.8	Very low	157 Å²	157	126.5 Å²	126.5	82%	0.822	81%	0.814	S	S	*	*			trans	109.4	93.7	152.7	-61.3	140.9	0	0	0	113.3
140	S	39.9	Very low	44.2	Very low	103 Å²	103	122.5 Å²	122.5	72%	0.72	81%	0.808	S	S	*	*				59.5	120.3	74.6	-169.8	0	0	0	0	115.3
141	S	44.3	Very low	45	Very low	102 Å²	102	123.7 Å²	123.7	71%	0.713	80%	0.802	S	S	*	*			trans	65.3	114.7	153.4	62.2	0	0	0	0	119.3
142	R	45.2	Very low	46	Very low	255 Å²	255	124.8 Å²	124.8	96%	0.962	80%	0.804	S	S	*	*				-165.1	113.9	127.8	-105.8	162.2	-178.7	-122.3	0.2	112.6
143	Q	42	Very low	46.7	Very low	197 Å²	197	128.3 Å²	128.3	92%	0.921	81%	0.805	S	S	*	*			trans	-89.1	137.6	166.7	-173.4	-179.9	11.5	0	0	107.6
144	A	43.5	Very low	48.1	Very low	85 Å²	85	130.4 Å²	130.4	70%	0.702	81%	0.807	S	S	*	*			trans	157.1	106.6	158.1	0	0	0	0	0	108.5
145	S	48.2	Very low	49	Very low	110 Å²	110	128.3 Å²	128.3	77%	0.769	80%	0.803	S	S	*	*				64.6	127.2	80.3	73.2	0	0	0	0	115.4
146	S	49.2	Very low	49.9	Very low	130 Å²	130	132.8 Å²	132.8	91%	0.909	83%	0.834	S	S	*	*			trans	104.5	128.7	162.6	79.2	0	0	0	0	116.7
147	G	48	Very low	50.4	Low	79 Å²	79	136.1 Å²	136.1	81%	0.814	84%	0.841	S	S	*	*			trans	156.3	66.2	173.8	0	0	0	0	0	114.2
148	I	56.1	Low	50.6	Low	165 Å²	165	135.9 Å²	135.9	85%	0.846	84%	0.841	S	S	*	*			trans	-68.2	129.3	168	-65.4	158.3	0	0	0	108.8
149	T	55.3	Low	51.2	Low	142 Å²	142	138.3 Å²	138.3	87%	0.871	85%	0.851	S	S	*	*			trans	-148.1	116.4	146.7	43.5	0	0	0	0	111.3
150	S	49.8	Very low	51.4	Low	114 Å²	114	137.2 Å²	137.2	80%	0.797	85%	0.853	S	S	*	*			trans	-69.2	151	167.1	-176.8	0	0	0	0	110.8
151	S	50.7	Low	52.1	Low	109 Å²	109	139.3 Å²	139.3	76%	0.762	86%	0.861	S	S	*	*			trans	142.4	109.8	138.1	-165.8	0	0	0	0	112.1
152	A	54.1	Low	52.6	Low	100 Å²	100	141.8 Å²	141.8	83%	0.826	87%	0.871	S	S	*	*			trans	-164.6	106.5	143.6	0	0	0	0	0	109.4
153	M	51.7	Low	53.2	Low	175 Å²	175	133.7 Å²	133.7	86%	0.862	86%	0.864	S	S	*	*			trans	-56.2	141.9	169.1	-66.8	164.2	151	0	0	112.4
154	V	64	Low	54	Low	144 Å²	144	128.8 Å²	128.8	87%	0.873	86%	0.86	S	S	*	*			trans	-138.7	121	147.2	-179.8	0	0	0	0	108.8
155	T	69.9	Low	54.9	Low	122 Å²	122	132.5 Å²	132.5	75%	0.748	87%	0.873	S	S	*	*			trans	-84.2	138.8	178.5	44.7	0	0	0	0	112.3
156	S	61.8	Low	55.5	Low	200 Å²	200	134.5 Å²	134.5	100%	1.399	88%	0.883	S	S	*	*			trans	-157.1	0	143.7	-73	0	0	0	0	108

Retrieved 156 of 156 residues in 28.2 ms (Link to these results)

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