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Histone H4

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 P09322, Species SCHPO (Schizosaccharomyces pombe (strain 972 / ATCC 24843), Fission yeast), Gene hhf1/hhf2/hhf3, Length 103 aa.

						>H4_SCHPO|P09322|hhf1/hhf2/hhf3
MSGRGKGGKGLGKGGAKRHRKILRDNIQGITKPAIRRLARRGGVKRISALVYEETRAVLKLFLENVIRDAVTYTEHAKRKTVTSLDVVYSLKRQGRTIYGFGG
					

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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	47.8	Very low	58.6	Low	254 Å²	254	144.5 Å²	144.5	100%	1.251	87%	0.867	S	S	*	*				0	104.2	0	-68.9	-171.5	176.5	0	0	108.7
2	S	49.2	Very low	58.3	Low	122 Å²	122	139.3 Å²	139.3	85%	0.853	87%	0.866	S	S	*	*			trans	-110.8	110.3	-179	79.7	0	0	0	0	110.1	R4	S2-R4 PolarHBondContact O-N 3.33Å
3	G	58.1	Low	58.5	Low	83 Å²	83	144.3 Å²	144.3	86%	0.856	87%	0.868	S	S	*	*			trans	-85.4	94.5	177.6	0	0	0	0	0	110.4	G5	G3-G5 PolarHBondContact O-N 3.39Å; G3-G5 VanDerWaalsContact O-N 3.16Å
4	R	63	Low	58.8	Low	244 Å²	244	139.4 Å²	139.4	92%	0.921	86%	0.862	S	S	*	*			trans	-67.3	104.7	178.7	-169.1	164.1	176.2	128.3	-5.9	110.3	S2	S2-R4 PolarHBondContact O-N 3.33Å
5	G	62.6	Low	59.2	Low	66 Å²	66	134.9 Å²	134.9	68%	0.68	85%	0.853	S	S	*	*			trans	-64.8	136.5	175.2	0	0	0	0	0	112.5	G3 G7	G3-G5 PolarHBondContact O-N 3.39Å; G3-G5 VanDerWaalsContact O-N 3.16Å; G5-G7 PolarHBondContact O-N 3.39Å
6	K	65.5	Low	59.6	Low	226 Å²	226	132.8 Å²	132.8	98%	0.983	85%	0.853	S	S	*	*			trans	-73.4	72.5	166.1	-81.1	177.5	173.5	174	0	109.1
7	G	60.6	Low	60	Low	70 Å²	70	135.2 Å²	135.2	72%	0.722	85%	0.847	S	S	*	*			trans	-115.3	108.7	178.4	0	0	0	0	0	111.4	G5	G5-G7 PolarHBondContact O-N 3.39Å
8	G	59	Low	60.2	Low	80 Å²	80	141.4 Å²	141.4	83%	0.825	85%	0.852	S	S	*	*			trans	78.9	90.1	154.7	0	0	0	0	0	118
9	K	60.4	Low	60.5	Low	214 Å²	214	141.6 Å²	141.6	93%	0.93	84%	0.842	S	S	*	*			trans	-100.8	116.8	138.8	-114.8	175	176.1	179.9	0	104.2
10	G	56.9	Low	60.7	Low	62 Å²	62	145.8 Å²	145.8	64%	0.639	84%	0.842	S	S	*	*			cis	87.6	116.3	48	0	0	0	0	0	108
11	L	61.2	Low	61	Low	168 Å²	168	148.7 Å²	148.7	88%	0.88	85%	0.845	S	S	*	*			trans	94	104.6	168.9	-50.1	172.3	0	0	0	117
12	G	54.7	Low	62.1	Low	83 Å²	83	141.5 Å²	141.5	86%	0.856	81%	0.811	S	S	*	*			trans	-58	134.2	177.1	0	0	0	0	0	113.3
13	K	61.7	Low	63.2	Low	204 Å²	204	143.4 Å²	143.4	89%	0.887	81%	0.81	S	S	*	*			trans	-144.2	122	173.6	-71.3	-171.4	176.4	-176.1	0	110.1
14	G	62.5	Low	63.9	Low	76 Å²	76	148.4 Å²	148.4	78%	0.784	80%	0.804	S	S	*	*			trans	114.2	93.8	159.5	0	0	0	0	0	114.6
15	G	64.5	Low	64.7	Low	71 Å²	71	141.9 Å²	141.9	73%	0.732	79%	0.787	S	S	*	*			trans	-51.2	142.8	164.9	0	0	0	0	0	111.1	K17	G15-K17 PolarHBondContact O-N 2.77Å
16	A	65.5	Low	66	Low	102 Å²	102	143.7 Å²	143.7	84%	0.843	78%	0.781	S	S	*	*			trans	-56.3	107.2	-176.8	0	0	0	0	0	110.5	R18	A16-R18 PolarHBondContact O-N 3.47Å
17	K	67.4	Low	67.3	Low	173 Å²	173	134.3 Å²	134.3	75%	0.752	74%	0.741	S	S	*	*			trans	-66	103.4	171	-69.5	-175.2	178.9	-179.3	0	108.1	G15 H19	G15-K17 PolarHBondContact O-N 2.77Å; K17-H19 VanDerWaalsContact C-N 3.27Å; K17-H19 WeakPolarHBondContact CB-NE2 3.4Å; K17-H19 PolarHBondContact O-N 3.08Å
18	R	62.1	Low	68.7	Low	248 Å²	248	135.4 Å²	135.4	94%	0.936	73%	0.727	S	S	*	*			trans	-69.3	88.5	165.2	-87	-173.2	172.7	-177.7	-0.5	108.3	A16	A16-R18 PolarHBondContact O-N 3.47Å
19	H	66.9	Low	70.3	Confident	145 Å²	145	134.2 Å²	134.2	67%	0.671	72%	0.715	S	S	*	*			trans	-77.3	130	166.8	-68.1	-68	0	0	0	109.2	K17 K21	K17-H19 VanDerWaalsContact C-N 3.27Å; K17-H19 WeakPolarHBondContact CB-NE2 3.4Å; K17-H19 PolarHBondContact O-N 3.08Å; H19-K21 PolarHBondContact O-N 2.7Å
20	R	64.6	Low	72	Confident	224 Å²	224	126.7 Å²	126.7	85%	0.845	69%	0.685	S	S	*	*			trans	-53.6	128.6	164.3	-172.8	170	78	164.5	2.6	107.3	I22	R20-I22 PolarHBondContact O-N 3.04Å
21	K	66.1	Low	73.9	Confident	207 Å²	207	126.8 Å²	126.8	90%	0.9	67%	0.673	S	S	*	*			trans	-63.4	96.5	177.5	-75.5	-179.1	178.2	178	0	108.8	H19	H19-K21 PolarHBondContact O-N 2.7Å
22	I	71.4	Confident	75.6	Confident	104 Å²	104	124 Å²	124	53%	0.533	65%	0.654	S	S	.	*			trans	-76	132.8	164.1	-60.5	172.8	0	0	0	106	R20 R24	R20-I22 PolarHBondContact O-N 3.04Å; I22-R24 HydrophobicContact CG2-CG 4.45Å; I22-R24 PolarHBondContact O-N 3.18Å
23	L	72.1	Confident	77.6	Confident	161 Å²	161	122.4 Å²	122.4	84%	0.843	63%	0.628	S	S	*	*			trans	-61.4	109.4	172.8	-67.3	175	0	0	0	108.3
24	R	74.1	Confident	79.3	Confident	189 Å²	189	113.8 Å²	113.8	71%	0.713	60%	0.595	S	S	*	*			trans	-118.4	-179.4	171.4	-66.6	-176.4	179.8	-178.5	-1.4	108	I22 N26	I22-R24 HydrophobicContact CG2-CG 4.45Å; I22-R24 PolarHBondContact O-N 3.18Å; R24-N26 PolarHBondContact O-N 3.47Å; R24-N26 PolarHBondContact O-ND2 3.36Å; R24-N26 PolarHBondContact O-OD1 2.86Å
25	D	79	Confident	81.1	Confident	107 Å²	107	110.2 Å²	110.2	57%	0.572	56%	0.558	S	S	*	*			trans	-62.9	86.8	165.8	-171.7	16.2	0	0	0	110.3	I27	D25-I27 PolarHBondContact O-N 3.24Å; D25-I27 WeakPolarHBondContact OD1-CG2 3.31Å; D25-I27 WeakPolarHBondContact OD2-CG2 3.35Å
26	N	88.9	Confident	82.6	Confident	103 Å²	103	111.7 Å²	111.7	55%	0.551	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-74.8	-5.8	-172.4	-68.6	-44.3	0	0	0	112	R24 Q28 G29	R24-N26 PolarHBondContact O-N 3.47Å; R24-N26 PolarHBondContact O-ND2 3.36Å; R24-N26 PolarHBondContact O-OD1 2.86Å; N26-Q28 PolarHBondContact O-N 3.17Å; N26-G29 WeakPolarHBondContact O-CA 3.16Å; N26-G29 PolarHBondContact O-N 2.68Å
27	I	93.3	Very high	84.2	Confident	30 Å²	30	114.2 Å²	114.2	15%	0.154	53%	0.529	C	S	.	.	G	3₁₀ helix	trans	-60.7	-30.1	179.7	-161.6	60.7	0	0	0	111.6	D25 G29 I30 R56 K60	D25-I27 PolarHBondContact O-N 3.24Å; D25-I27 WeakPolarHBondContact OD1-CG2 3.31Å; D25-I27 WeakPolarHBondContact OD2-CG2 3.35Å; I27-G29 PolarHBondContact O-N 3.34Å; I27-I30 HydrophobicContact CD1-CG1 4.44Å; I27-I30 WeakPolarHBondContact O-CB 3.4Å; I27-I30 PolarHBondContact O-N 3.21Å; I27-R56 HydrophobicContact CD1-CB 4.26Å; I27-R56 HydrophobicContact CG1-CB 3.71Å; I27-R56 HydrophobicContact CG1-CG 4.03Å; I27-R56 WeakPolarHBondContact O-CD 3.45Å; I27-R56 PolarHBondContact O-NE 2.97Å; I27-K60 HydrophobicContact CD1-CB 4.03Å
28	Q	91	Very high	85.7	Confident	92 Å²	92	110.7 Å²	110.7	43%	0.43	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-68.4	-16.9	174.8	-63.5	-56.5	-30.8	0	0	113.2	N26 I30 E53 R56	N26-Q28 PolarHBondContact O-N 3.17Å; Q28-I30 PolarHBondContact O-N 2.74Å; Q28-E53 PolarHBondContact NE2-OE2 3.24Å; Q28-R56 VanDerWaalsContact OE1-NH2 3.13Å
29	G	92.6	Very high	87.4	Confident	55 Å²	55	99.8 Å²	99.8	57%	0.567	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-66.1	-17.8	169.7	0	0	0	0	0	113.5	N26 I27 T31	N26-G29 WeakPolarHBondContact O-CA 3.16Å; N26-G29 PolarHBondContact O-N 2.68Å; I27-G29 PolarHBondContact O-N 3.34Å; G29-T31 VanDerWaalsContact C-N 3.32Å; G29-T31 WeakPolarHBondContact O-CG2 3.41Å; G29-T31 PolarHBondContact O-N 3.3Å
30	I	94.8	Very high	88.9	Confident	56 Å²	56	98.7 Å²	98.7	29%	0.287	47%	0.471	S	S	.	.	S	Bend	trans	-78.1	88.2	168.3	-51.2	-59	0	0	0	108	I27 Q28 I35 R56 L59	I27-I30 HydrophobicContact CD1-CG1 4.44Å; I27-I30 WeakPolarHBondContact O-CB 3.4Å; I27-I30 PolarHBondContact O-N 3.21Å; Q28-I30 PolarHBondContact O-N 2.74Å; I30-I35 HydrophobicContact CG2-CD1 4.25Å; I30-I35 HydrophobicContact CG2-CG1 3.93Å; I30-R56 HydrophobicContact CB-CG 4.4Å; I30-R56 PolarHBondContact O-NE 3.37Å; I30-R56 PolarHBondContact O-NH2 3.04Å; I30-L59 HydrophobicContact CB-CD2 4.41Å; I30-L59 HydrophobicContact CD1-CD2 4.06Å; I30-L59 HydrophobicContact CG1-CD2 3.76Å; I30-L59 HydrophobicContact CG2-CD2 3.97Å
31	T	96.6	Very high	90.5	Very high	64 Å²	64	98.3 Å²	98.3	39%	0.393	47%	0.469	S	S	.	.			trans	-69.2	152.6	-169.2	67	0	0	0	0	113.2	G29 P33 A34 I35	G29-T31 VanDerWaalsContact C-N 3.32Å; G29-T31 WeakPolarHBondContact O-CG2 3.41Å; G29-T31 PolarHBondContact O-N 3.3Å; T31-P33 VanDerWaalsContact C-N 3.32Å; T31-A34 WeakPolarHBondContact O-CA 3.44Å; T31-A34 WeakPolarHBondContact O-CB 3.36Å; T31-A34 PolarHBondContact O-N 2.82Å; T31-A34 PolarHBondContact OG1-N 3.05Å; T31-I35 PolarHBondContact O-N 3.29Å
32	K	97.1	Very high	92	Very high	110 Å²	110	91.5 Å²	91.5	48%	0.478	46%	0.458	S	S	.	.	H	α-helix	trans	-52.4	-41.1	174.3	-61.4	-175.8	177.1	179.7	0	113.3	A34 I35 R36 Y52	K32-A34 PolarHBondContact O-N 2.93Å; K32-I35 PolarHBondContact O-N 3.4Å; K32-R36 WeakPolarHBondContact O-CB 3.5Å; K32-R36 PolarHBondContact O-N 2.86Å; K32-Y52 HydrophobicContact CB-CD1 3.94Å; K32-Y52 HydrophobicContact CB-CE1 3.89Å; K32-Y52 HydrophobicContact CB-CG 4.35Å; K32-Y52 HydrophobicContact CD-CD2 3.87Å; K32-Y52 HydrophobicContact CD-CE2 4.07Å; K32-Y52 HydrophobicContact CD-CG 4.15Å; K32-Y52 HydrophobicContact CG-CD1 3.91Å; K32-Y52 HydrophobicContact CG-CD2 4.06Å; K32-Y52 HydrophobicContact CG-CE1 4.26Å; K32-Y52 HydrophobicContact CG-CE2 4.43Å; K32-Y52 HydrophobicContact CG-CG 3.82Å
33	P	97.7	Very high	93.3	Very high	50 Å²	50	89.7 Å²	89.7	33%	0.325	47%	0.465	S	S	.	.	H	α-helix	trans	-61.7	-37.1	172	-25.1	36.1	0	0	0	114.2	T31 R36 R37	T31-P33 VanDerWaalsContact C-N 3.32Å; P33-R36 PolarHBondContact O-N 2.96Å; P33-R37 WeakPolarHBondContact O-CG 3.4Å; P33-R37 PolarHBondContact O-N 3.37Å
34	A	98	Very high	94.5	Very high	22 Å²	22	85 Å²	85	18%	0.182	44%	0.443	C	S	.	.	H	α-helix	trans	-65.2	-47.3	176.6	0	0	0	0	0	111.5	T31 K32 R36 R37 L38	T31-A34 WeakPolarHBondContact O-CA 3.44Å; T31-A34 WeakPolarHBondContact O-CB 3.36Å; T31-A34 PolarHBondContact O-N 2.82Å; T31-A34 PolarHBondContact OG1-N 3.05Å; K32-A34 PolarHBondContact O-N 2.93Å; A34-R36 VanDerWaalsContact C-N 3.3Å; A34-R36 PolarHBondContact O-N 3.41Å; A34-R37 WeakPolarHBondContact O-CB 3.42Å; A34-R37 PolarHBondContact O-N 3.48Å; A34-R37 VanDerWaalsContact O-N 3.12Å; A34-L38 WeakPolarHBondContact O-CG 3.33Å; A34-L38 PolarHBondContact O-N 3.3Å
35	I	98.3	Very high	95.6	Very high	2 Å²	2	84.4 Å²	84.4	1%	0.01	45%	0.445	C	S	.	.	H	α-helix	trans	-59.1	-43.8	175.2	-64.1	169.8	0	0	0	110.5	I30 T31 K32 R37 L38 A39 Y52 T55 R56	I30-I35 HydrophobicContact CG2-CD1 4.25Å; I30-I35 HydrophobicContact CG2-CG1 3.93Å; T31-I35 PolarHBondContact O-N 3.29Å; K32-I35 PolarHBondContact O-N 3.4Å; I35-R37 PolarHBondContact O-N 3.35Å; I35-L38 PolarHBondContact O-N 3.3Å; I35-A39 WeakPolarHBondContact O-CB 3.37Å; I35-A39 PolarHBondContact O-N 2.95Å; I35-Y52 HydrophobicContact CB-CD1 4.09Å; I35-Y52 HydrophobicContact CD1-CD1 4.19Å; I35-Y52 WeakPolarHBondContact CD1-O 3.05Å; I35-Y52 HydrophobicContact CG2-CD1 3.91Å; I35-Y52 HydrophobicContact CG2-CE1 4.38Å; I35-T55 HydrophobicContact CD1-CG2 4.39Å; I35-T55 HydrophobicContact CG1-CG2 4.14Å; I35-T55 HydrophobicContact CG2-CG2 3.99Å; I35-R56 HydrophobicContact CD1-CG 4.2Å
36	R	98	Very high	96.5	Very high	101 Å²	101	89.8 Å²	89.8	38%	0.381	46%	0.458	S	S	.	.	H	α-helix	trans	-61.3	-41.6	175.5	-175.7	172.3	64.4	-102.5	3.1	112.1	K32 P33 A34 L38 A39 R40 I47	K32-R36 WeakPolarHBondContact O-CB 3.5Å; K32-R36 PolarHBondContact O-N 2.86Å; P33-R36 PolarHBondContact O-N 2.96Å; A34-R36 VanDerWaalsContact C-N 3.3Å; A34-R36 PolarHBondContact O-N 3.41Å; R36-L38 VanDerWaalsContact C-N 3.34Å; R36-L38 PolarHBondContact O-N 2.91Å; R36-A39 PolarHBondContact O-N 2.87Å; R36-R40 HydrophobicContact CG-CG 4.21Å; R36-R40 WeakPolarHBondContact O-CB 3.38Å; R36-R40 WeakPolarHBondContact O-CG 3.46Å; R36-R40 PolarHBondContact O-N 3.06Å; R36-I47 HydrophobicContact CB-CD1 4.31Å; R36-I47 HydrophobicContact CG-CD1 3.99Å
37	R	98.4	Very high	96.8	Very high	155 Å²	155	86.6 Å²	86.6	59%	0.585	44%	0.441	S	S	*	.	H	α-helix	trans	-61.5	-41.7	175.4	-74.7	-173.5	-59.3	-93.4	5.4	111.8	P33 A34 I35 R41	P33-R37 WeakPolarHBondContact O-CG 3.4Å; P33-R37 PolarHBondContact O-N 3.37Å; A34-R37 WeakPolarHBondContact O-CB 3.42Å; A34-R37 PolarHBondContact O-N 3.48Å; A34-R37 VanDerWaalsContact O-N 3.12Å; I35-R37 PolarHBondContact O-N 3.35Å; R37-R41 WeakPolarHBondContact O-CB 3.31Å; R37-R41 PolarHBondContact O-N 3.15Å
38	L	98.1	Very high	97	Very high	99 Å²	99	88.6 Å²	88.6	52%	0.518	46%	0.457	S	S	.	.	H	α-helix	trans	-62.6	-50.7	175.5	-68.1	172.3	0	0	0	111.5	A34 I35 R36 R40 R41 G42	A34-L38 WeakPolarHBondContact O-CG 3.33Å; A34-L38 PolarHBondContact O-N 3.3Å; I35-L38 PolarHBondContact O-N 3.3Å; R36-L38 VanDerWaalsContact C-N 3.34Å; R36-L38 PolarHBondContact O-N 2.91Å; L38-R40 VanDerWaalsContact C-N 3.33Å; L38-R40 PolarHBondContact O-N 3.45Å; L38-R41 WeakPolarHBondContact O-CB 3.34Å; L38-R41 PolarHBondContact O-N 2.89Å; L38-G42 PolarHBondContact O-N 3.46Å
39	A	98	Very high	97.3	Very high	20 Å²	20	87.9 Å²	87.9	17%	0.165	47%	0.467	C	S	.	.	H	α-helix	trans	-61	-40	178.6	0	0	0	0	0	112.4	I35 R36 G42 G43 V44 I47	I35-A39 WeakPolarHBondContact O-CB 3.37Å; I35-A39 PolarHBondContact O-N 2.95Å; R36-A39 PolarHBondContact O-N 2.87Å; A39-G42 CarbonylContact O-C 3.55Å; A39-G42 WeakPolarHBondContact O-CA 3.17Å; A39-G42 PolarHBondContact O-N 2.83Å; A39-G43 PolarHBondContact O-N 3.31Å; A39-V44 HydrophobicContact CB-CB 4.04Å; A39-V44 HydrophobicContact CB-CG2 4.11Å; A39-V44 VanDerWaalsContact O-CB 3.28Å; A39-V44 WeakPolarHBondContact O-CB 3.43Å; A39-V44 WeakPolarHBondContact O-CG2 3.19Å; A39-V44 PolarHBondContact O-N 3.33Å; A39-I47 HydrophobicContact CB-CD1 3.52Å; A39-I47 HydrophobicContact CB-CG1 4.26Å
40	R	98.2	Very high	97.4	Very high	122 Å²	122	92 Å²	92	46%	0.46	48%	0.475	S	S	.	.	H	α-helix	trans	-65.3	-39.9	175.4	-69.8	-68.3	-175.5	-110.1	8.5	112.2	R36 L38 G42 G43 V44 K45	R36-R40 HydrophobicContact CG-CG 4.21Å; R36-R40 WeakPolarHBondContact O-CB 3.38Å; R36-R40 WeakPolarHBondContact O-CG 3.46Å; R36-R40 PolarHBondContact O-N 3.06Å; L38-R40 VanDerWaalsContact C-N 3.33Å; L38-R40 PolarHBondContact O-N 3.45Å; R40-G42 PolarHBondContact O-N 3.47Å; R40-G43 PolarHBondContact O-N 3.17Å; R40-V44 WeakPolarHBondContact CD-O 3.43Å; R40-V44 PolarHBondContact NH1-O 2.85Å; R40-K45 VanDerWaalsContact NH1-C 3.26Å; R40-K45 PolarHBondContact NH1-O 2.94Å; R40-K45 PolarHBondContact NH2-O 3.37Å
41	R	98.3	Very high	97.6	Very high	215 Å²	215	91.9 Å²	91.9	81%	0.811	48%	0.477	S	S	*	.	H	α-helix	trans	-60.9	-34.2	172.1	-173.3	-179.2	-65.6	170.8	-3	111.8	R37 L38 G43	R37-R41 WeakPolarHBondContact O-CB 3.31Å; R37-R41 PolarHBondContact O-N 3.15Å; L38-R41 WeakPolarHBondContact O-CB 3.34Å; L38-R41 PolarHBondContact O-N 2.89Å; R41-G43 VanDerWaalsContact C-N 3.27Å; R41-G43 PolarHBondContact O-N 3.47Å
42	G	97.9	Very high	97.6	Very high	64 Å²	64	90.5 Å²	90.5	66%	0.66	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	7.3	172.6	0	0	0	0	0	115.6	L38 A39 R40 V44	L38-G42 PolarHBondContact O-N 3.46Å; A39-G42 CarbonylContact O-C 3.55Å; A39-G42 WeakPolarHBondContact O-CA 3.17Å; A39-G42 PolarHBondContact O-N 2.83Å; R40-G42 PolarHBondContact O-N 3.47Å; G42-V44 PolarHBondContact O-N 3.08Å
43	G	98.2	Very high	97.5	Very high	66 Å²	66	89.8 Å²	89.8	68%	0.68	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	8.9	177.5	0	0	0	0	0	115.8	A39 R40 R41 K45	A39-G43 PolarHBondContact O-N 3.31Å; R40-G43 PolarHBondContact O-N 3.17Å; R41-G43 VanDerWaalsContact C-N 3.27Å; R41-G43 PolarHBondContact O-N 3.47Å; G43-K45 PolarHBondContact O-N 3.45Å
44	V	97.8	Very high	97.5	Very high	62 Å²	62	93.3 Å²	93.3	38%	0.376	48%	0.475	S	S	.	.			trans	-69.8	124.5	179.2	-178.6	0	0	0	0	110.1	A39 R40 G42 R46 I47	A39-V44 HydrophobicContact CB-CB 4.04Å; A39-V44 HydrophobicContact CB-CG2 4.11Å; A39-V44 VanDerWaalsContact O-CB 3.28Å; A39-V44 WeakPolarHBondContact O-CB 3.43Å; A39-V44 WeakPolarHBondContact O-CG2 3.19Å; A39-V44 PolarHBondContact O-N 3.33Å; R40-V44 WeakPolarHBondContact CD-O 3.43Å; R40-V44 PolarHBondContact NH1-O 2.85Å; G42-V44 PolarHBondContact O-N 3.08Å; V44-R46 WeakPolarHBondContact CG1-O 3.33Å; V44-I47 HydrophobicContact CG1-CG1 3.74Å
45	K	97.5	Very high	97.5	Very high	177 Å²	177	94.2 Å²	94.2	77%	0.77	48%	0.479	S	S	*	.	S	Bend	trans	-85.6	-44	-179.1	-172.7	174.7	-177.2	174.4	0	113.8	R40 G43	R40-K45 VanDerWaalsContact NH1-C 3.26Å; R40-K45 PolarHBondContact NH1-O 2.94Å; R40-K45 PolarHBondContact NH2-O 3.37Å; G43-K45 PolarHBondContact O-N 3.45Å
46	R	97.2	Very high	97.5	Very high	221 Å²	221	94.8 Å²	94.8	83%	0.834	48%	0.481	S	S	*	.			trans	-127.1	144.2	177.5	-67.5	-174.7	-179.6	-84.9	1.6	109.8	V44	V44-R46 WeakPolarHBondContact CG1-O 3.33Å
47	I	96.9	Very high	97.4	Very high	36 Å²	36	92.7 Å²	92.7	19%	0.185	49%	0.485	C	S	.	.			trans	-129.9	125.9	-175.6	-53.8	172.3	0	0	0	107.4	R36 A39 V44 V51	R36-I47 HydrophobicContact CB-CD1 4.31Å; R36-I47 HydrophobicContact CG-CD1 3.99Å; A39-I47 HydrophobicContact CB-CD1 3.52Å; A39-I47 HydrophobicContact CB-CG1 4.26Å; V44-I47 HydrophobicContact CG1-CG1 3.74Å; I47-V51 HydrophobicContact CG2-CB 3.82Å; I47-V51 HydrophobicContact CG2-CG1 3.97Å; I47-V51 HydrophobicContact CG2-CG2 4.18Å
48	S	97.1	Very high	97.4	Very high	71 Å²	71	89.3 Å²	89.3	50%	0.497	48%	0.482	S	S	.	.			trans	-71.1	151.7	172.8	172.3	0	0	0	0	111.1	L50 V51	S48-L50 PolarHBondContact O-N 3.08Å; S48-L50 PolarHBondContact OG-N 3.43Å; S48-V51 WeakPolarHBondContact O-CB 3.22Å; S48-V51 PolarHBondContact O-N 3.46Å
49	A	96.1	Very high	97.4	Very high	77 Å²	77	87 Å²	87	64%	0.636	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.4	178.1	0	0	0	0	0	113.1	V51 Y52	A49-V51 VanDerWaalsContact C-N 3.3Å; A49-V51 PolarHBondContact O-N 2.89Å; A49-Y52 WeakPolarHBondContact O-CD2 3.44Å
50	L	96.1	Very high	97.3	Very high	141 Å²	141	90.7 Å²	90.7	74%	0.738	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-24	-179.8	-60.1	177	0	0	0	113	S48 Y52 E53 E54	S48-L50 PolarHBondContact O-N 3.08Å; S48-L50 PolarHBondContact OG-N 3.43Å; L50-Y52 PolarHBondContact O-N 2.85Å; L50-Y52 VanDerWaalsContact O-N 3.1Å; L50-E53 PolarHBondContact O-N 3Å; L50-E54 PolarHBondContact O-N 3.3Å
51	V	97.3	Very high	97.2	Very high	55 Å²	55	89.6 Å²	89.6	33%	0.333	48%	0.484	S	S	.	.	H	α-helix	trans	-62	-24.5	-177.3	177.2	0	0	0	0	112.1	I47 S48 A49 T55	I47-V51 HydrophobicContact CG2-CB 3.82Å; I47-V51 HydrophobicContact CG2-CG1 3.97Å; I47-V51 HydrophobicContact CG2-CG2 4.18Å; S48-V51 WeakPolarHBondContact O-CB 3.22Å; S48-V51 PolarHBondContact O-N 3.46Å; A49-V51 VanDerWaalsContact C-N 3.3Å; A49-V51 PolarHBondContact O-N 2.89Å; V51-T55 VanDerWaalsContact O-CB 3.28Å; V51-T55 WeakPolarHBondContact O-CB 3.49Å; V51-T55 PolarHBondContact O-N 3.14Å; V51-T55 PolarHBondContact O-OG1 3.37Å
52	Y	96.8	Very high	97.2	Very high	35 Å²	35	82.5 Å²	82.5	14%	0.137	46%	0.459	C	S	.	.	H	α-helix	trans	-67.9	-41.3	-178	-58.6	-60.6	0	0	0	113.3	K32 I35 A49 L50 R56	K32-Y52 HydrophobicContact CB-CD1 3.94Å; K32-Y52 HydrophobicContact CB-CE1 3.89Å; K32-Y52 HydrophobicContact CB-CG 4.35Å; K32-Y52 HydrophobicContact CD-CD2 3.87Å; K32-Y52 HydrophobicContact CD-CE2 4.07Å; K32-Y52 HydrophobicContact CD-CG 4.15Å; K32-Y52 HydrophobicContact CG-CD1 3.91Å; K32-Y52 HydrophobicContact CG-CD2 4.06Å; K32-Y52 HydrophobicContact CG-CE1 4.26Å; K32-Y52 HydrophobicContact CG-CE2 4.43Å; K32-Y52 HydrophobicContact CG-CG 3.82Å; I35-Y52 HydrophobicContact CB-CD1 4.09Å; I35-Y52 HydrophobicContact CD1-CD1 4.19Å; I35-Y52 WeakPolarHBondContact CD1-O 3.05Å; I35-Y52 HydrophobicContact CG2-CD1 3.91Å; I35-Y52 HydrophobicContact CG2-CE1 4.38Å; A49-Y52 WeakPolarHBondContact O-CD2 3.44Å; L50-Y52 PolarHBondContact O-N 2.85Å; L50-Y52 VanDerWaalsContact O-N 3.1Å; Y52-R56 VanDerWaalsContact C-NH1 3.34Å; Y52-R56 WeakPolarHBondContact O-CG 3.36Å; Y52-R56 PolarHBondContact O-N 2.83Å; Y52-R56 PolarHBondContact O-NH1 2.93Å
53	E	96	Very high	97.1	Very high	95 Å²	95	83 Å²	83	44%	0.444	45%	0.447	S	S	.	.	H	α-helix	trans	-77.1	-37.8	176.3	-61.6	-48.7	136.2	0	0	110.6	Q28 L50 T55 R56 A57	Q28-E53 PolarHBondContact NE2-OE2 3.24Å; L50-E53 PolarHBondContact O-N 3Å; E53-T55 PolarHBondContact O-N 3.14Å; E53-R56 WeakPolarHBondContact O-CB 3.37Å; E53-R56 PolarHBondContact O-N 3.21Å; E53-R56 VanDerWaalsContact O-N 3.08Å; E53-R56 IonicContact OE1-CZ 3.34Å; E53-R56 IonicContact OE1-NH1 3.62Å; E53-R56 PolarHBondContact OE1-NH1 2.98Å; E53-R56 IonicContact OE1-NH2 2.74Å; E53-R56 IonicContact OE2-CZ 3.46Å; E53-R56 IonicContact OE2-NH1 3.89Å; E53-R56 PolarHBondContact OE2-NH1 3.3Å; E53-A57 PolarHBondContact O-N 3.43Å
54	E	97.6	Very high	97.1	Very high	123 Å²	123	83.8 Å²	83.8	58%	0.575	43%	0.433	S	S	*	.	H	α-helix	trans	-58.9	-46.5	175.6	-171.2	59.2	-152.9	0	0	112	L50 R56 A57 V58	L50-E54 PolarHBondContact O-N 3.3Å; E54-R56 PolarHBondContact O-N 3.42Å; E54-A57 PolarHBondContact O-N 2.99Å; E54-V58 WeakPolarHBondContact O-CG2 3.39Å; E54-V58 PolarHBondContact O-N 3.03Å
55	T	98	Very high	97.1	Very high	42 Å²	42	83.5 Å²	83.5	26%	0.258	43%	0.429	S	S	.	.	H	α-helix	trans	-61.2	-34.8	177.7	-55.7	0	0	0	0	111.4	I35 V51 E53 L59	I35-T55 HydrophobicContact CD1-CG2 4.39Å; I35-T55 HydrophobicContact CG1-CG2 4.14Å; I35-T55 HydrophobicContact CG2-CG2 3.99Å; V51-T55 VanDerWaalsContact O-CB 3.28Å; V51-T55 WeakPolarHBondContact O-CB 3.49Å; V51-T55 PolarHBondContact O-N 3.14Å; V51-T55 PolarHBondContact O-OG1 3.37Å; E53-T55 PolarHBondContact O-N 3.14Å; T55-L59 WeakPolarHBondContact O-CB 3.49Å; T55-L59 PolarHBondContact O-N 3.15Å
56	R	97.4	Very high	97.1	Very high	13 Å²	13	75.5 Å²	75.5	5%	0.049	40%	0.395	C	S	.	.	H	α-helix	trans	-68.8	-43.5	177	-78.5	-176.5	-165.9	113.6	-30.9	111.7	I27 Q28 I30 I35 Y52 E53 E54 L59 K60	I27-R56 HydrophobicContact CD1-CB 4.26Å; I27-R56 HydrophobicContact CG1-CB 3.71Å; I27-R56 HydrophobicContact CG1-CG 4.03Å; I27-R56 WeakPolarHBondContact O-CD 3.45Å; I27-R56 PolarHBondContact O-NE 2.97Å; Q28-R56 VanDerWaalsContact OE1-NH2 3.13Å; I30-R56 HydrophobicContact CB-CG 4.4Å; I30-R56 PolarHBondContact O-NE 3.37Å; I30-R56 PolarHBondContact O-NH2 3.04Å; I35-R56 HydrophobicContact CD1-CG 4.2Å; Y52-R56 VanDerWaalsContact C-NH1 3.34Å; Y52-R56 WeakPolarHBondContact O-CG 3.36Å; Y52-R56 PolarHBondContact O-N 2.83Å; Y52-R56 PolarHBondContact O-NH1 2.93Å; E53-R56 WeakPolarHBondContact O-CB 3.37Å; E53-R56 PolarHBondContact O-N 3.21Å; E53-R56 VanDerWaalsContact O-N 3.08Å; E53-R56 IonicContact OE1-CZ 3.34Å; E53-R56 IonicContact OE1-NH1 3.62Å; E53-R56 PolarHBondContact OE1-NH1 2.98Å; E53-R56 IonicContact OE1-NH2 2.74Å; E53-R56 IonicContact OE2-CZ 3.46Å; E53-R56 IonicContact OE2-NH1 3.89Å; E53-R56 PolarHBondContact OE2-NH1 3.3Å; E54-R56 PolarHBondContact O-N 3.42Å; R56-L59 PolarHBondContact O-N 3.47Å; R56-K60 WeakPolarHBondContact O-CB 3.48Å; R56-K60 PolarHBondContact O-N 3.47Å
57	A	97	Very high	97.1	Very high	57 Å²	57	69.5 Å²	69.5	47%	0.471	38%	0.379	S	S	.	.	H	α-helix	trans	-59.7	-48.8	175.9	0	0	0	0	0	111.3	E53 E54 L59 K60 L61	E53-A57 PolarHBondContact O-N 3.43Å; E54-A57 PolarHBondContact O-N 2.99Å; A57-L59 PolarHBondContact O-N 2.95Å; A57-K60 PolarHBondContact O-N 2.85Å; A57-L61 PolarHBondContact O-N 3.23Å
58	V	97.7	Very high	97.2	Very high	85 Å²	85	74.1 Å²	74.1	52%	0.515	39%	0.393	S	S	.	.	H	α-helix	trans	-62.6	-43.1	178	175.8	0	0	0	0	111.8	E54 K60 L61 F62	E54-V58 WeakPolarHBondContact O-CG2 3.39Å; E54-V58 PolarHBondContact O-N 3.03Å; V58-K60 VanDerWaalsContact C-N 3.35Å; V58-K60 PolarHBondContact O-N 3.5Å; V58-L61 PolarHBondContact O-N 3Å; V58-F62 WeakPolarHBondContact O-CB 3.49Å; V58-F62 PolarHBondContact O-N 3.12Å
59	L	97.6	Very high	97.2	Very high	49 Å²	49	71.7 Å²	71.7	26%	0.257	38%	0.375	S	S	.	.	H	α-helix	trans	-63.6	-41.3	177.7	176.5	61.2	0	0	0	111.9	I30 T55 R56 A57 F62 L63	I30-L59 HydrophobicContact CB-CD2 4.41Å; I30-L59 HydrophobicContact CD1-CD2 4.06Å; I30-L59 HydrophobicContact CG1-CD2 3.76Å; I30-L59 HydrophobicContact CG2-CD2 3.97Å; T55-L59 WeakPolarHBondContact O-CB 3.49Å; T55-L59 PolarHBondContact O-N 3.15Å; R56-L59 PolarHBondContact O-N 3.47Å; A57-L59 PolarHBondContact O-N 2.95Å; L59-F62 PolarHBondContact O-N 3.4Å; L59-L63 HydrophobicContact CD1-CD1 4.07Å; L59-L63 HydrophobicContact CD1-CG 4.17Å; L59-L63 HydrophobicContact CG-CD1 4.18Å; L59-L63 WeakPolarHBondContact O-CG 3.42Å; L59-L63 PolarHBondContact O-N 3.03Å
60	K	96.4	Very high	97.3	Very high	98 Å²	98	68.1 Å²	68.1	43%	0.426	35%	0.345	S	S	.	.	H	α-helix	trans	-61.1	-50	176.6	-177.7	174.9	174.6	179.3	0	110.6	I27 R56 A57 V58 F62 L63 E64	I27-K60 HydrophobicContact CD1-CB 4.03Å; R56-K60 WeakPolarHBondContact O-CB 3.48Å; R56-K60 PolarHBondContact O-N 3.47Å; A57-K60 PolarHBondContact O-N 2.85Å; V58-K60 VanDerWaalsContact C-N 3.35Å; V58-K60 PolarHBondContact O-N 3.5Å; K60-F62 VanDerWaalsContact C-N 3.32Å; K60-F62 PolarHBondContact O-N 3.42Å; K60-L63 PolarHBondContact O-N 3.28Å; K60-E64 WeakPolarHBondContact CE-OE1 3.39Å; K60-E64 HydrophobicContact CG-CG 4.43Å; K60-E64 WeakPolarHBondContact CG-OE1 3.49Å; K60-E64 WeakPolarHBondContact O-CB 3.44Å; K60-E64 WeakPolarHBondContact O-CG 3.16Å; K60-E64 PolarHBondContact O-N 3.38Å
61	L	97	Very high	97.4	Very high	99 Å²	99	63.9 Å²	63.9	52%	0.518	33%	0.326	S	S	.	.	H	α-helix	trans	-58.5	-43.4	177.3	178.8	62.9	0	0	0	112.2	A57 V58 E64 N65	A57-L61 PolarHBondContact O-N 3.23Å; V58-L61 PolarHBondContact O-N 3Å; L61-E64 PolarHBondContact O-N 3.02Å; L61-N65 PolarHBondContact O-N 3.17Å; L61-N65 VanDerWaalsContact O-N 3.15Å; L61-N65 PolarHBondContact O-ND2 2.99Å
62	F	97.2	Very high	97.4	Very high	66 Å²	66	65 Å²	65	29%	0.289	33%	0.333	S	S	.	.	H	α-helix	trans	-58.7	-49.6	176.5	174.1	-99.5	0	0	0	111.7	V58 L59 K60 N65 V66 L91	V58-F62 WeakPolarHBondContact O-CB 3.49Å; V58-F62 PolarHBondContact O-N 3.12Å; L59-F62 PolarHBondContact O-N 3.4Å; K60-F62 VanDerWaalsContact C-N 3.32Å; K60-F62 PolarHBondContact O-N 3.42Å; F62-N65 PolarHBondContact O-N 3.17Å; F62-V66 HydrophobicContact CD2-CG2 4.49Å; F62-V66 HydrophobicContact CE1-CG2 4.16Å; F62-V66 HydrophobicContact CE2-CG2 4Å; F62-V66 HydrophobicContact CZ-CG2 3.83Å; F62-V66 WeakPolarHBondContact O-CG2 3.45Å; F62-V66 PolarHBondContact O-N 3.01Å; F62-V66 VanDerWaalsContact O-N 3.14Å; F62-L91 HydrophobicContact CZ-CD2 4.19Å
63	L	97.2	Very high	97.4	Very high	75 Å²	75	67.1 Å²	67.1	39%	0.393	34%	0.341	S	S	.	.	H	α-helix	trans	-67.2	-38.9	-179.6	-70.9	175.1	0	0	0	112.2	L59 K60 N65 V66 I67	L59-L63 HydrophobicContact CD1-CD1 4.07Å; L59-L63 HydrophobicContact CD1-CG 4.17Å; L59-L63 HydrophobicContact CG-CD1 4.18Å; L59-L63 WeakPolarHBondContact O-CG 3.42Å; L59-L63 PolarHBondContact O-N 3.03Å; K60-L63 PolarHBondContact O-N 3.28Å; L63-N65 VanDerWaalsContact C-N 3.29Å; L63-N65 PolarHBondContact O-N 3.38Å; L63-V66 PolarHBondContact O-N 3.22Å; L63-I67 HydrophobicContact CB-CD1 4.17Å; L63-I67 WeakPolarHBondContact O-CB 3.43Å; L63-I67 WeakPolarHBondContact O-CG1 3.4Å; L63-I67 PolarHBondContact O-N 3.39Å
64	E	97.1	Very high	97.5	Very high	83 Å²	83	62.9 Å²	62.9	39%	0.388	32%	0.322	S	S	.	.	H	α-helix	trans	-57.3	-43.9	175.6	-77.7	174.2	-179.3	0	0	111.5	K60 L61 R68	K60-E64 WeakPolarHBondContact CE-OE1 3.39Å; K60-E64 HydrophobicContact CG-CG 4.43Å; K60-E64 WeakPolarHBondContact CG-OE1 3.49Å; K60-E64 WeakPolarHBondContact O-CB 3.44Å; K60-E64 WeakPolarHBondContact O-CG 3.16Å; K60-E64 PolarHBondContact O-N 3.38Å; L61-E64 PolarHBondContact O-N 3.02Å; E64-R68 WeakPolarHBondContact O-CB 3.4Å; E64-R68 PolarHBondContact O-N 3.15Å
65	N	97.4	Very high	97.6	Very high	55 Å²	55	63.4 Å²	63.4	29%	0.294	32%	0.324	S	S	.	.	H	α-helix	trans	-67.5	-46.9	178.7	-69.7	-24.8	0	0	0	112.3	L61 F62 L63 R68 D69 Q94	L61-N65 PolarHBondContact O-N 3.17Å; L61-N65 VanDerWaalsContact O-N 3.15Å; L61-N65 PolarHBondContact O-ND2 2.99Å; F62-N65 PolarHBondContact O-N 3.17Å; L63-N65 VanDerWaalsContact C-N 3.29Å; L63-N65 PolarHBondContact O-N 3.38Å; N65-R68 PolarHBondContact OD1-NH1 3.01Å; N65-D69 PolarHBondContact O-N 2.82Å; N65-Q94 PolarHBondContact O-NE2 3.46Å
66	V	97.7	Very high	97.6	Very high	9 Å²	9	69.1 Å²	69.1	6%	0.055	35%	0.347	C	S	.	.	H	α-helix	trans	-66.1	-44.6	-179.4	175.3	0	0	0	0	111.3	F62 L63 D69 A70 V87 S90 L91	F62-V66 HydrophobicContact CD2-CG2 4.49Å; F62-V66 HydrophobicContact CE1-CG2 4.16Å; F62-V66 HydrophobicContact CE2-CG2 4Å; F62-V66 HydrophobicContact CZ-CG2 3.83Å; F62-V66 WeakPolarHBondContact O-CG2 3.45Å; F62-V66 PolarHBondContact O-N 3.01Å; F62-V66 VanDerWaalsContact O-N 3.14Å; L63-V66 PolarHBondContact O-N 3.22Å; V66-D69 PolarHBondContact O-N 3.37Å; V66-A70 PolarHBondContact O-N 3.14Å; V66-A70 VanDerWaalsContact O-N 3.08Å; V66-V87 HydrophobicContact CG1-CG1 4.31Å; V66-S90 WeakPolarHBondContact O-CB 3.39Å; V66-L91 HydrophobicContact CG1-CD2 4.02Å; V66-L91 HydrophobicContact CG1-CG 4.09Å; V66-L91 HydrophobicContact CG2-CD2 3.76Å
67	I	97.6	Very high	97.6	Very high	96 Å²	96	70.6 Å²	70.6	49%	0.492	36%	0.362	S	S	.	.	H	α-helix	trans	-69.8	-37.1	-177.4	-65.9	169.4	0	0	0	110.9	L63 D69 A70 V71	L63-I67 HydrophobicContact CB-CD1 4.17Å; L63-I67 WeakPolarHBondContact O-CB 3.43Å; L63-I67 WeakPolarHBondContact O-CG1 3.4Å; L63-I67 PolarHBondContact O-N 3.39Å; I67-D69 VanDerWaalsContact C-N 3.33Å; I67-D69 PolarHBondContact O-N 3.38Å; I67-A70 PolarHBondContact O-N 3.26Å; I67-A70 VanDerWaalsContact O-N 3.14Å; I67-V71 HydrophobicContact CG2-CG2 4.08Å; I67-V71 WeakPolarHBondContact O-CG2 3.46Å; I67-V71 PolarHBondContact O-N 3.48Å
68	R	97.9	Very high	97.6	Very high	132 Å²	132	77.3 Å²	77.3	50%	0.498	38%	0.381	S	S	.	.	H	α-helix	trans	-55.1	-51	175.2	-175.1	-175.3	-56.6	112.6	2.9	110.9	E64 N65 A70 V71 T72	E64-R68 WeakPolarHBondContact O-CB 3.4Å; E64-R68 PolarHBondContact O-N 3.15Å; N65-R68 PolarHBondContact OD1-NH1 3.01Å; R68-A70 VanDerWaalsContact C-N 3.32Å; R68-A70 PolarHBondContact O-N 2.72Å; R68-V71 PolarHBondContact O-N 3.5Å; R68-T72 PolarHBondContact O-N 3.45Å; R68-T72 VanDerWaalsContact O-N 3.14Å; R68-T72 PolarHBondContact O-OG1 2.87Å
69	D	97.6	Very high	97.6	Very high	20 Å²	20	77.5 Å²	77.5	11%	0.107	37%	0.372	C	S	.	.	H	α-helix	trans	-64.5	-36.8	178.3	-72	-8.3	0	0	0	111.7	N65 V66 I67 T72 Y73 S90 R93 Q94	N65-D69 PolarHBondContact O-N 2.82Å; V66-D69 PolarHBondContact O-N 3.37Å; I67-D69 VanDerWaalsContact C-N 3.33Å; I67-D69 PolarHBondContact O-N 3.38Å; D69-T72 WeakPolarHBondContact O-CB 3.47Å; D69-T72 PolarHBondContact O-N 3.38Å; D69-Y73 WeakPolarHBondContact O-CD2 3.34Å; D69-Y73 PolarHBondContact O-N 2.92Å; D69-Y73 VanDerWaalsContact O-N 3.15Å; D69-S90 WeakPolarHBondContact CB-OG 3Å; D69-R93 VanDerWaalsContact CG-NH1 3.34Å; D69-R93 IonicContact OD1-NH1 3.32Å; D69-R93 PolarHBondContact OD1-NH1 3Å; D69-R93 IonicContact OD2-CZ 3.91Å; D69-R93 IonicContact OD2-NH1 2.67Å; D69-R93 PolarHBondContact OD2-NH1 3.46Å; D69-Q94 PolarHBondContact OD2-NE2 3.46Å
70	A	98.1	Very high	97.6	Very high	2 Å²	2	85.4 Å²	85.4	2%	0.017	41%	0.405	C	S	.	.	H	α-helix	trans	-70.3	-37.2	-177.9	0	0	0	0	0	112	V66 I67 R68 Y73 T74 V82 D86 V87 S90	V66-A70 PolarHBondContact O-N 3.14Å; V66-A70 VanDerWaalsContact O-N 3.08Å; I67-A70 PolarHBondContact O-N 3.26Å; I67-A70 VanDerWaalsContact O-N 3.14Å; R68-A70 VanDerWaalsContact C-N 3.32Å; R68-A70 PolarHBondContact O-N 2.72Å; A70-Y73 PolarHBondContact O-N 3.43Å; A70-T74 PolarHBondContact O-N 2.94Å; A70-T74 PolarHBondContact O-OG1 3.45Å; A70-V82 HydrophobicContact CB-CG1 4.24Å; A70-D86 HydrophobicContact CB-CB 4.35Å; A70-V87 HydrophobicContact CB-CG2 4.25Å; A70-S90 WeakPolarHBondContact CA-OG 3.41Å; A70-S90 WeakPolarHBondContact CB-OG 3.4Å; A70-S90 PolarHBondContact N-OG 2.92Å
71	V	98.1	Very high	97.7	Very high	53 Å²	53	85.5 Å²	85.5	32%	0.321	41%	0.414	S	S	.	.	H	α-helix	trans	-64.2	-42.4	172.5	172.3	0	0	0	0	110	I67 R68 Y73 T74 E75	I67-V71 HydrophobicContact CG2-CG2 4.08Å; I67-V71 WeakPolarHBondContact O-CG2 3.46Å; I67-V71 PolarHBondContact O-N 3.48Å; R68-V71 PolarHBondContact O-N 3.5Å; V71-Y73 VanDerWaalsContact C-N 3.34Å; V71-Y73 PolarHBondContact O-N 3.07Å; V71-T74 WeakPolarHBondContact O-CB 3.48Å; V71-T74 PolarHBondContact O-N 3Å; V71-E75 HydrophobicContact CG1-CG 4.21Å; V71-E75 WeakPolarHBondContact O-CG 3.37Å; V71-E75 PolarHBondContact O-N 2.98Å
72	T	98	Very high	97.7	Very high	79 Å²	79	84.3 Å²	84.3	49%	0.485	41%	0.411	S	S	.	.	H	α-helix	trans	-56.4	-44.5	174.9	-52.7	0	0	0	0	112.4	R68 D69 T74 H76	R68-T72 PolarHBondContact O-N 3.45Å; R68-T72 VanDerWaalsContact O-N 3.14Å; R68-T72 PolarHBondContact O-OG1 2.87Å; D69-T72 WeakPolarHBondContact O-CB 3.47Å; D69-T72 PolarHBondContact O-N 3.38Å; T72-T74 VanDerWaalsContact C-N 3.35Å; T72-H76 VanDerWaalsContact O-CB 3.31Å; T72-H76 WeakPolarHBondContact O-CB 3.14Å; T72-H76 PolarHBondContact O-N 3.33Å
73	Y	97.6	Very high	97.7	Very high	78 Å²	78	83.4 Å²	83.4	31%	0.306	41%	0.41	S	S	.	.	H	α-helix	trans	-65	-38.2	175.6	-74.3	-63.2	0	0	0	112.8	D69 A70 V71 H76 A77 D86	D69-Y73 WeakPolarHBondContact O-CD2 3.34Å; D69-Y73 PolarHBondContact O-N 2.92Å; D69-Y73 VanDerWaalsContact O-N 3.15Å; A70-Y73 PolarHBondContact O-N 3.43Å; V71-Y73 VanDerWaalsContact C-N 3.34Å; V71-Y73 PolarHBondContact O-N 3.07Å; Y73-H76 PolarHBondContact O-N 3.05Å; Y73-A77 WeakPolarHBondContact O-CB 3.45Å; Y73-A77 PolarHBondContact O-N 3.25Å; Y73-D86 WeakPolarHBondContact CB-OD1 3.46Å
74	T	98.4	Very high	97.7	Very high	7 Å²	7	82.3 Å²	82.3	4%	0.043	41%	0.409	C	S	.	.	H	α-helix	trans	-63.5	-46.6	177.9	-57.4	0	0	0	0	111.3	A70 V71 T72 A77 K78 R79 V82 D86	A70-T74 PolarHBondContact O-N 2.94Å; A70-T74 PolarHBondContact O-OG1 3.45Å; V71-T74 WeakPolarHBondContact O-CB 3.48Å; V71-T74 PolarHBondContact O-N 3Å; T72-T74 VanDerWaalsContact C-N 3.35Å; T74-A77 PolarHBondContact O-N 2.86Å; T74-K78 PolarHBondContact O-N 3.21Å; T74-R79 HydrophobicContact CG2-CB 4.07Å; T74-R79 WeakPolarHBondContact CG2-O 3.34Å; T74-R79 PolarHBondContact O-N 3.43Å; T74-V82 HydrophobicContact CG2-CG2 4.3Å; T74-D86 PolarHBondContact OG1-OD2 2.67Å
75	E	98.1	Very high	97.7	Very high	133 Å²	133	81.5 Å²	81.5	62%	0.621	41%	0.407	S	S	*	.	H	α-helix	trans	-64.9	-44.7	177.2	-70.7	178.3	159.6	0	0	111.5	V71 A77 K78	V71-E75 HydrophobicContact CG1-CG 4.21Å; V71-E75 WeakPolarHBondContact O-CG 3.37Å; V71-E75 PolarHBondContact O-N 2.98Å; E75-A77 PolarHBondContact O-N 3.5Å; E75-K78 WeakPolarHBondContact O-CA 3.28Å; E75-K78 PolarHBondContact O-N 3.44Å
76	H	97.8	Very high	97.7	Very high	162 Å²	162	79.1 Å²	79.1	75%	0.75	39%	0.394	S	S	*	.	H	α-helix	trans	-57.5	-39.4	176.4	-179.5	69.6	0	0	0	112.1	T72 Y73 K78	T72-H76 VanDerWaalsContact O-CB 3.31Å; T72-H76 WeakPolarHBondContact O-CB 3.14Å; T72-H76 PolarHBondContact O-N 3.33Å; Y73-H76 PolarHBondContact O-N 3.05Å; H76-K78 PolarHBondContact O-N 2.89Å
77	A	97.6	Very high	97.7	Very high	44 Å²	44	81.3 Å²	81.3	36%	0.364	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	6.4	176.7	0	0	0	0	0	114.2	Y73 T74 E75 R79	Y73-A77 WeakPolarHBondContact O-CB 3.45Å; Y73-A77 PolarHBondContact O-N 3.25Å; T74-A77 PolarHBondContact O-N 2.86Å; E75-A77 PolarHBondContact O-N 3.5Å; A77-R79 HydrophobicContact CB-CG 4.33Å; A77-R79 VanDerWaalsContact CB-NH2 3.25Å; A77-R79 PolarHBondContact O-N 2.91Å
78	K	98	Very high	97.7	Very high	199 Å²	199	78 Å²	78	87%	0.865	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	30.6	-177	-56.8	178.2	-179.3	177.2	0	113.3	T74 E75 H76	T74-K78 PolarHBondContact O-N 3.21Å; E75-K78 WeakPolarHBondContact O-CA 3.28Å; E75-K78 PolarHBondContact O-N 3.44Å; H76-K78 PolarHBondContact O-N 2.89Å
79	R	98.1	Very high	97.6	Very high	88 Å²	88	77 Å²	77	33%	0.332	39%	0.389	S	S	.	.			trans	-98.8	156.1	178.6	-74.5	-177.3	-78.5	97.6	-4.8	110.8	T74 A77 T81 D86	T74-R79 HydrophobicContact CG2-CB 4.07Å; T74-R79 WeakPolarHBondContact CG2-O 3.34Å; T74-R79 PolarHBondContact O-N 3.43Å; A77-R79 HydrophobicContact CB-CG 4.33Å; A77-R79 VanDerWaalsContact CB-NH2 3.25Å; A77-R79 PolarHBondContact O-N 2.91Å; R79-T81 PolarHBondContact NH1-O 3.4Å; R79-T81 VanDerWaalsContact NH1-O 3.08Å; R79-D86 IonicContact CZ-OD1 4Å; R79-D86 IonicContact CZ-OD2 3.21Å; R79-D86 IonicContact NH1-OD1 3.58Å; R79-D86 IonicContact NH1-OD2 2.7Å; R79-D86 PolarHBondContact NH1-OD2 2.91Å; R79-D86 IonicContact NH2-OD1 3.54Å; R79-D86 PolarHBondContact NH2-OD1 3.24Å; R79-D86 IonicContact NH2-OD2 2.83Å; R79-D86 PolarHBondContact NH2-OD2 3.32Å
80	K	97.3	Very high	97.6	Very high	216 Å²	216	76 Å²	76	94%	0.939	38%	0.383	S	S	*	.	S	Bend	trans	-105.6	3.2	171.9	-64.3	-177.5	179.2	179.2	0	112.9
81	T	98	Very high	97.6	Very high	100 Å²	100	76.9 Å²	76.9	61%	0.613	39%	0.388	S	S	*	.	S	Bend	trans	-128.4	120.6	-176.4	-53.5	0	0	0	0	108.4	R79 T83	R79-T81 PolarHBondContact NH1-O 3.4Å; R79-T81 VanDerWaalsContact NH1-O 3.08Å; T81-T83 PolarHBondContact O-N 3.36Å
82	V	97.6	Very high	97.6	Very high	74 Å²	74	80.9 Å²	80.9	45%	0.448	40%	0.401	S	S	.	.			trans	-68.5	125.9	171.7	-176.8	0	0	0	0	108.1	A70 T74 D86 V87	A70-V82 HydrophobicContact CB-CG1 4.24Å; T74-V82 HydrophobicContact CG2-CG2 4.3Å; V82-D86 HydrophobicContact CG1-CB 4.1Å; V82-V87 HydrophobicContact CG1-CG2 4.13Å
83	T	97.4	Very high	97.5	Very high	46 Å²	46	85 Å²	85	28%	0.282	41%	0.407	S	S	.	.			trans	-96	165.4	179	65	0	0	0	0	110.9	T81 L85 D86	T81-T83 PolarHBondContact O-N 3.36Å; T83-L85 PolarHBondContact O-N 3.49Å; T83-D86 WeakPolarHBondContact CB-OD2 3.2Å; T83-D86 PolarHBondContact N-OD2 2.65Å; T83-D86 PolarHBondContact O-N 2.97Å; T83-D86 PolarHBondContact OG1-N 3.02Å; T83-D86 PolarHBondContact OG1-OD2 2.99Å
84	S	96.6	Very high	97.3	Very high	53 Å²	53	84.1 Å²	84.1	37%	0.371	41%	0.406	S	S	.	.	H	α-helix	trans	-56	-40.9	170	46.9	0	0	0	0	111.6	D86 V87 V88 F101	S84-D86 PolarHBondContact O-N 3.49Å; S84-V87 PolarHBondContact O-N 2.9Å; S84-V88 WeakPolarHBondContact O-CG2 3.4Å; S84-V88 PolarHBondContact O-N 2.95Å; S84-F101 WeakPolarHBondContact CB-O 3.34Å; S84-F101 PolarHBondContact OG-O 3.41Å
85	L	96.8	Very high	97.2	Very high	66 Å²	66	87 Å²	87	35%	0.346	44%	0.437	S	S	.	.	H	α-helix	trans	-63.5	-39.3	179.9	-67.1	179.5	0	0	0	112.7	T83 V87 V88 Y89	T83-L85 PolarHBondContact O-N 3.49Å; L85-V87 VanDerWaalsContact C-N 3.27Å; L85-V87 PolarHBondContact O-N 2.94Å; L85-V88 PolarHBondContact O-N 3.38Å; L85-Y89 HydrophobicContact CB-CD2 4.47Å; L85-Y89 HydrophobicContact CB-CE2 4.01Å; L85-Y89 WeakPolarHBondContact O-CD2 3.49Å; L85-Y89 VanDerWaalsContact O-CG 3.25Å; L85-Y89 PolarHBondContact O-N 3.42Å
86	D	97.5	Very high	97.1	Very high	4 Å²	4	87.7 Å²	87.7	2%	0.021	43%	0.434	C	S	.	.	H	α-helix	trans	-57.2	-45.5	176	-60.1	-47.4	0	0	0	110.5	A70 Y73 T74 R79 V82 T83 S84 Y89 S90	A70-D86 HydrophobicContact CB-CB 4.35Å; Y73-D86 WeakPolarHBondContact CB-OD1 3.46Å; T74-D86 PolarHBondContact OG1-OD2 2.67Å; R79-D86 IonicContact CZ-OD1 4Å; R79-D86 IonicContact CZ-OD2 3.21Å; R79-D86 IonicContact NH1-OD1 3.58Å; R79-D86 IonicContact NH1-OD2 2.7Å; R79-D86 PolarHBondContact NH1-OD2 2.91Å; R79-D86 IonicContact NH2-OD1 3.54Å; R79-D86 PolarHBondContact NH2-OD1 3.24Å; R79-D86 IonicContact NH2-OD2 2.83Å; R79-D86 PolarHBondContact NH2-OD2 3.32Å; V82-D86 HydrophobicContact CG1-CB 4.1Å; T83-D86 WeakPolarHBondContact CB-OD2 3.2Å; T83-D86 PolarHBondContact N-OD2 2.65Å; T83-D86 PolarHBondContact O-N 2.97Å; T83-D86 PolarHBondContact OG1-N 3.02Å; T83-D86 PolarHBondContact OG1-OD2 2.99Å; S84-D86 PolarHBondContact O-N 3.49Å; D86-Y89 PolarHBondContact O-N 3.29Å; D86-S90 PolarHBondContact O-N 3.46Å; D86-S90 PolarHBondContact O-OG 3.37Å
87	V	97.6	Very high	97	Very high	55 Å²	55	83.6 Å²	83.6	33%	0.333	42%	0.421	S	S	.	.	H	α-helix	trans	-66.5	-41.4	177.4	-178.9	0	0	0	0	111.7	V66 A70 V82 S84 L85 Y89 S90 L91	V66-V87 HydrophobicContact CG1-CG1 4.31Å; A70-V87 HydrophobicContact CB-CG2 4.25Å; V82-V87 HydrophobicContact CG1-CG2 4.13Å; S84-V87 PolarHBondContact O-N 2.9Å; L85-V87 VanDerWaalsContact C-N 3.27Å; L85-V87 PolarHBondContact O-N 2.94Å; V87-Y89 VanDerWaalsContact C-N 3.32Å; V87-Y89 PolarHBondContact O-N 3.27Å; V87-S90 PolarHBondContact O-N 3.1Å; V87-L91 HydrophobicContact CG1-CD1 3.98Å; V87-L91 HydrophobicContact CG1-CG 4.41Å; V87-L91 WeakPolarHBondContact O-CB 3.17Å; V87-L91 WeakPolarHBondContact O-CG 3.42Å; V87-L91 PolarHBondContact O-N 3.25Å
88	V	97.5	Very high	96.9	Very high	27 Å²	27	84.7 Å²	84.7	16%	0.164	42%	0.419	C	S	.	.	H	α-helix	trans	-60.1	-43.3	176.2	170.9	0	0	0	0	110.7	S84 L85 L91 K92 I98 F101	S84-V88 WeakPolarHBondContact O-CG2 3.4Å; S84-V88 PolarHBondContact O-N 2.95Å; L85-V88 PolarHBondContact O-N 3.38Å; V88-L91 PolarHBondContact O-N 3.41Å; V88-K92 WeakPolarHBondContact O-CB 3.13Å; V88-K92 PolarHBondContact O-N 3.37Å; V88-I98 HydrophobicContact CG2-CG2 4.05Å; V88-F101 HydrophobicContact CG2-CB 3.72Å
89	Y	96.8	Very high	96.8	Very high	110 Å²	110	84.7 Å²	84.7	43%	0.431	42%	0.416	S	S	.	.	H	α-helix	trans	-68.5	-41.5	178.1	-62.8	-36.5	0	0	0	112.3	L85 D86 V87 L91 K92 R93	L85-Y89 HydrophobicContact CB-CD2 4.47Å; L85-Y89 HydrophobicContact CB-CE2 4.01Å; L85-Y89 WeakPolarHBondContact O-CD2 3.49Å; L85-Y89 VanDerWaalsContact O-CG 3.25Å; L85-Y89 PolarHBondContact O-N 3.42Å; D86-Y89 PolarHBondContact O-N 3.29Å; V87-Y89 VanDerWaalsContact C-N 3.32Å; V87-Y89 PolarHBondContact O-N 3.27Å; Y89-L91 VanDerWaalsContact C-N 3.34Å; Y89-L91 PolarHBondContact O-N 2.98Å; Y89-K92 PolarHBondContact O-N 2.92Å; Y89-R93 WeakPolarHBondContact O-CB 3.37Å; Y89-R93 PolarHBondContact O-N 2.97Å
90	S	97.4	Very high	96.7	Very high	0 Å²	0	84.3 Å²	84.3	0%	0	44%	0.438	C	S	.	.	H	α-helix	trans	-58.2	-46.1	173.3	-56.8	0	0	0	0	112.4	V66 D69 A70 D86 V87 R93 Q94	V66-S90 WeakPolarHBondContact O-CB 3.39Å; D69-S90 WeakPolarHBondContact CB-OG 3Å; A70-S90 WeakPolarHBondContact CA-OG 3.41Å; A70-S90 WeakPolarHBondContact CB-OG 3.4Å; A70-S90 PolarHBondContact N-OG 2.92Å; D86-S90 PolarHBondContact O-N 3.46Å; D86-S90 PolarHBondContact O-OG 3.37Å; V87-S90 PolarHBondContact O-N 3.1Å; S90-R93 PolarHBondContact O-N 3.08Å; S90-Q94 WeakPolarHBondContact O-CG 3.36Å; S90-Q94 PolarHBondContact O-N 3.45Å; S90-Q94 VanDerWaalsContact O-N 3.15Å
91	L	97.8	Very high	96.5	Very high	20 Å²	20	79.3 Å²	79.3	11%	0.105	42%	0.417	C	S	.	.	H	α-helix	trans	-65.9	-42	178	-76.5	173.1	0	0	0	111.8	F62 V66 V87 V88 Y89 R93 Q94 G95 R96 I98	F62-L91 HydrophobicContact CZ-CD2 4.19Å; V66-L91 HydrophobicContact CG1-CD2 4.02Å; V66-L91 HydrophobicContact CG1-CG 4.09Å; V66-L91 HydrophobicContact CG2-CD2 3.76Å; V87-L91 HydrophobicContact CG1-CD1 3.98Å; V87-L91 HydrophobicContact CG1-CG 4.41Å; V87-L91 WeakPolarHBondContact O-CB 3.17Å; V87-L91 WeakPolarHBondContact O-CG 3.42Å; V87-L91 PolarHBondContact O-N 3.25Å; V88-L91 PolarHBondContact O-N 3.41Å; Y89-L91 VanDerWaalsContact C-N 3.34Å; Y89-L91 PolarHBondContact O-N 2.98Å; L91-R93 VanDerWaalsContact C-N 3.34Å; L91-R93 PolarHBondContact O-N 2.68Å; L91-Q94 CarbonylContact O-C 3.5Å; L91-Q94 PolarHBondContact O-N 2.86Å; L91-Q94 VanDerWaalsContact O-N 3.17Å; L91-G95 PolarHBondContact O-N 3Å; L91-R96 WeakPolarHBondContact CB-O 3.44Å; L91-R96 HydrophobicContact CD2-CB 4.16Å; L91-R96 CarbonylContact O-C 3.45Å; L91-R96 WeakPolarHBondContact O-CA 3.28Å; L91-R96 PolarHBondContact O-N 3.17Å; L91-I98 HydrophobicContact CD1-CB 4.21Å; L91-I98 HydrophobicContact CD1-CG2 3.67Å
92	K	96.7	Very high	95.9	Very high	137 Å²	137	77.6 Å²	77.6	60%	0.596	42%	0.419	S	S	*	.	H	α-helix	trans	-60.1	-43.6	175.1	-171.5	178	-175.9	-179.1	0	111.4	V88 Y89 Q94 G95	V88-K92 WeakPolarHBondContact O-CB 3.13Å; V88-K92 PolarHBondContact O-N 3.37Å; Y89-K92 PolarHBondContact O-N 2.92Å; K92-Q94 PolarHBondContact O-N 3.23Å; K92-G95 PolarHBondContact O-N 3.26Å; K92-G95 VanDerWaalsContact O-N 3.08Å
93	R	96.2	Very high	95.1	Very high	166 Å²	166	80.4 Å²	80.4	63%	0.626	46%	0.463	S	S	*	.	H	α-helix	trans	-59.5	-34.7	175.8	-177.3	-178.2	177.3	-91.4	-4.8	112.4	D69 Y89 S90 L91 G95	D69-R93 VanDerWaalsContact CG-NH1 3.34Å; D69-R93 IonicContact OD1-NH1 3.32Å; D69-R93 PolarHBondContact OD1-NH1 3Å; D69-R93 IonicContact OD2-CZ 3.91Å; D69-R93 IonicContact OD2-NH1 2.67Å; D69-R93 PolarHBondContact OD2-NH1 3.46Å; Y89-R93 WeakPolarHBondContact O-CB 3.37Å; Y89-R93 PolarHBondContact O-N 2.97Å; S90-R93 PolarHBondContact O-N 3.08Å; L91-R93 VanDerWaalsContact C-N 3.34Å; L91-R93 PolarHBondContact O-N 2.68Å; R93-G95 VanDerWaalsContact C-N 3.29Å; R93-G95 PolarHBondContact O-N 3.35Å
94	Q	94.2	Very high	95	Very high	59 Å²	59	82.1 Å²	82.1	28%	0.276	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	10.5	177.9	-65.5	-179.3	9.8	0	0	114	N65 D69 S90 L91 K92 R96	N65-Q94 PolarHBondContact O-NE2 3.46Å; D69-Q94 PolarHBondContact OD2-NE2 3.46Å; S90-Q94 WeakPolarHBondContact O-CG 3.36Å; S90-Q94 PolarHBondContact O-N 3.45Å; S90-Q94 VanDerWaalsContact O-N 3.15Å; L91-Q94 CarbonylContact O-C 3.5Å; L91-Q94 PolarHBondContact O-N 2.86Å; L91-Q94 VanDerWaalsContact O-N 3.17Å; K92-Q94 PolarHBondContact O-N 3.23Å; Q94-R96 VanDerWaalsContact C-N 3.33Å; Q94-R96 PolarHBondContact O-N 3.36Å
95	G	96.6	Very high	94.9	Very high	67 Å²	67	83.6 Å²	83.6	69%	0.691	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	21.2	-179.7	0	0	0	0	0	114.4	L91 K92 R93	L91-G95 PolarHBondContact O-N 3Å; K92-G95 PolarHBondContact O-N 3.26Å; K92-G95 VanDerWaalsContact O-N 3.08Å; R93-G95 VanDerWaalsContact C-N 3.29Å; R93-G95 PolarHBondContact O-N 3.35Å
96	R	95.9	Very high	94.8	Very high	149 Å²	149	84.6 Å²	84.6	56%	0.562	48%	0.484	S	S	*	.			trans	-121	54.3	-175.6	-64.7	-179.7	179.8	-115.9	0.3	112.2	L91 Q94 I98	L91-R96 WeakPolarHBondContact CB-O 3.44Å; L91-R96 HydrophobicContact CD2-CB 4.16Å; L91-R96 CarbonylContact O-C 3.45Å; L91-R96 WeakPolarHBondContact O-CA 3.28Å; L91-R96 PolarHBondContact O-N 3.17Å; Q94-R96 VanDerWaalsContact C-N 3.33Å; Q94-R96 PolarHBondContact O-N 3.36Å; R96-I98 PolarHBondContact O-N 3.16Å
97	T	95.3	Very high	94.7	Very high	76 Å²	76	89.4 Å²	89.4	47%	0.466	51%	0.512	S	S	.	.			trans	-53	128.4	-178.8	-54.5	0	0	0	0	112	Y99	T97-Y99 HydrophobicContact CG2-CE1 4.2Å
98	I	96.1	Very high	94.5	Very high	66 Å²	66	91.5 Å²	91.5	34%	0.338	52%	0.523	S	S	.	.			trans	-116.9	141.3	177.2	-164.3	169.5	0	0	0	110.2	V88 L91 R96 F101	V88-I98 HydrophobicContact CG2-CG2 4.05Å; L91-I98 HydrophobicContact CD1-CB 4.21Å; L91-I98 HydrophobicContact CD1-CG2 3.67Å; R96-I98 PolarHBondContact O-N 3.16Å; I98-F101 HydrophobicContact CD1-CD2 3.95Å; I98-F101 HydrophobicContact CD1-CE2 3.48Å; I98-F101 VanDerWaalsContact CD1-CE2 3.48Å; I98-F101 HydrophobicContact CD1-CZ 4.3Å; I98-F101 HydrophobicContact CG1-CD2 3.92Å; I98-F101 HydrophobicContact CG1-CE2 3.78Å; I98-F101 HydrophobicContact CG2-CD2 4.2Å
99	Y	95.2	Very high	94.3	Very high	200 Å²	200	95.8 Å²	95.8	78%	0.784	55%	0.547	S	S	*	.			trans	-107	155.8	179.8	-58	-73.9	0	0	0	111.1	T97 F101	T97-Y99 HydrophobicContact CG2-CE1 4.2Å; Y99-F101 VanDerWaalsContact O-CD2 3.31Å; Y99-F101 WeakPolarHBondContact O-CD2 3.12Å
100	G	95.9	Very high	94.1	Very high	79 Å²	79	94.8 Å²	94.8	81%	0.814	56%	0.555	S	S	*	*	S	Bend	trans	92.5	11.1	174	0	0	0	0	0	116.4
101	F	93.5	Very high	93.9	Very high	112 Å²	112	102.1 Å²	102.1	49%	0.491	60%	0.598	S	S	.	*			trans	-124.1	16.4	-175.1	-65.5	-86.3	0	0	0	114.6	S84 V88 I98 Y99	S84-F101 WeakPolarHBondContact CB-O 3.34Å; S84-F101 PolarHBondContact OG-O 3.41Å; V88-F101 HydrophobicContact CG2-CB 3.72Å; I98-F101 HydrophobicContact CD1-CD2 3.95Å; I98-F101 HydrophobicContact CD1-CE2 3.48Å; I98-F101 VanDerWaalsContact CD1-CE2 3.48Å; I98-F101 HydrophobicContact CD1-CZ 4.3Å; I98-F101 HydrophobicContact CG1-CD2 3.92Å; I98-F101 HydrophobicContact CG1-CE2 3.78Å; I98-F101 HydrophobicContact CG2-CD2 4.2Å; Y99-F101 VanDerWaalsContact O-CD2 3.31Å; Y99-F101 WeakPolarHBondContact O-CD2 3.12Å
102	G	85.1	Confident	93.5	Very high	64 Å²	64	108.9 Å²	108.9	66%	0.66	64%	0.639	S	S	*	*			trans	-95.3	10.2	-178.5	0	0	0	0	0	115.5
103	G	81.9	Confident	93.3	Very high	132 Å²	132	106.4 Å²	106.4	100%	1.361	64%	0.643	S	S	*	*			trans	-83.6	0	177.5	0	0	0	0	0	113.6

Retrieved 103 of 103 residues in 96.2 ms (Link to these results)

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