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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 (A0A0G1Z8R5), UniProt , Accession Q6WV73, Species MYTCA (Mytilus californianus, California mussel), Gene n/a, Length 103 aa.

						>H4_MYTCA|Q6WV73
MSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGGVKRISGLIYEETRGVLKVFLENVIRDAVTYTEHAKRKTVTAMDVVYALKRQGRTLYGFGG
					

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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	47.1	Very low	58.3	Low	247 Å²	247	138.9 Å²	138.9	100%	1.217	85%	0.848	S	S	*	*				0	109.7	0	-68.7	170.4	85.9	0	0	108.3	G3	M1-G3 PolarHBondContact O-N 3.33Å
2	S	49.7	Very low	58.7	Low	122 Å²	122	133.3 Å²	133.3	85%	0.853	84%	0.838	S	S	*	*			trans	-88.2	94.9	-176.1	47.1	0	0	0	0	111	R4	S2-R4 VanDerWaalsContact C-N 3.33Å; S2-R4 PolarHBondContact O-N 3.14Å
3	G	56.1	Low	59.3	Low	83 Å²	83	138.3 Å²	138.3	86%	0.856	84%	0.84	S	S	*	*			trans	-79.7	73.1	174.5	0	0	0	0	0	112.3	M1 G5	M1-G3 PolarHBondContact O-N 3.33Å; G3-G5 PolarHBondContact O-N 3.06Å
4	R	59.3	Low	59.6	Low	238 Å²	238	133.5 Å²	133.5	90%	0.898	83%	0.833	S	S	*	*			trans	-83.7	90.1	172.6	-164.1	153.4	179.2	148.6	-4.2	109.1	S2 K6	S2-R4 VanDerWaalsContact C-N 3.33Å; S2-R4 PolarHBondContact O-N 3.14Å; R4-K6 PolarHBondContact O-N 3.35Å
5	G	61.1	Low	60.3	Low	68 Å²	68	129.5 Å²	129.5	70%	0.701	83%	0.827	S	S	*	*			trans	-54.3	126.4	172.2	0	0	0	0	0	110.5	G3 G7	G3-G5 PolarHBondContact O-N 3.06Å; G5-G7 VanDerWaalsContact C-N 3.31Å; G5-G7 PolarHBondContact O-N 3.18Å
6	K	62.2	Low	61.3	Low	212 Å²	212	127.1 Å²	127.1	92%	0.922	82%	0.823	S	S	*	*			trans	-66.7	93.3	171.2	-79.8	-179.7	175.6	174.1	0	108	R4 G8	R4-K6 PolarHBondContact O-N 3.35Å; K6-G8 VanDerWaalsContact C-N 3.3Å; K6-G8 PolarHBondContact O-N 3.07Å
7	G	59.7	Low	62.2	Low	73 Å²	73	131.4 Å²	131.4	75%	0.753	83%	0.826	S	S	*	*			trans	-58.7	99.3	160.1	0	0	0	0	0	107.4	G5 K9	G5-G7 VanDerWaalsContact C-N 3.31Å; G5-G7 PolarHBondContact O-N 3.18Å; G7-K9 PolarHBondContact O-N 2.97Å
8	G	62	Low	63.3	Low	73 Å²	73	137.6 Å²	137.6	75%	0.753	83%	0.83	S	S	*	*			trans	-56.6	107	171.8	0	0	0	0	0	107	K6 G10	K6-G8 VanDerWaalsContact C-N 3.3Å; K6-G8 PolarHBondContact O-N 3.07Å; G8-G10 PolarHBondContact O-N 3.34Å
9	K	63.1	Low	64.3	Low	189 Å²	189	140.1 Å²	140.1	82%	0.822	83%	0.832	S	S	*	*			trans	-57.6	97	164.5	-101.4	178.1	173.6	176.7	0	105.2	G7 L11	G7-K9 PolarHBondContact O-N 2.97Å; K9-L11 PolarHBondContact O-N 3.36Å
10	G	60.9	Low	65.4	Low	76 Å²	76	144.9 Å²	144.9	78%	0.784	84%	0.835	S	S	*	*			trans	-57.7	92.2	159.6	0	0	0	0	0	105.4	G8 G12	G8-G10 PolarHBondContact O-N 3.34Å; G10-G12 PolarHBondContact O-N 3.38Å
11	L	60.7	Low	66.5	Low	147 Å²	147	146.4 Å²	146.4	77%	0.77	83%	0.832	S	S	*	*			trans	-64	83.4	162	-65.5	172	0	0	0	103.9	K9 K13	K9-L11 PolarHBondContact O-N 3.36Å; L11-K13 PolarHBondContact O-N 3Å
12	G	63	Low	68.4	Low	71 Å²	71	139.5 Å²	139.5	73%	0.732	80%	0.803	S	S	*	*			trans	-54.6	100.4	163.3	0	0	0	0	0	104.3	G10 G14	G10-G12 PolarHBondContact O-N 3.38Å; G12-G14 VanDerWaalsContact C-N 3.33Å; G12-G14 PolarHBondContact O-N 2.65Å
13	K	66	Low	70.3	Confident	199 Å²	199	139.8 Å²	139.8	87%	0.865	80%	0.795	S	S	*	*			trans	-53.5	105.4	179.4	-72.5	-179.9	176.2	177.7	0	105.2	L11 G15	L11-K13 PolarHBondContact O-N 3Å; K13-G15 PolarHBondContact O-N 3.14Å
14	G	63.9	Low	71.9	Confident	71 Å²	71	145.1 Å²	145.1	73%	0.732	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-48.4	121.6	169.9	0	0	0	0	0	106.3	G12 A16	G12-G14 VanDerWaalsContact C-N 3.33Å; G12-G14 PolarHBondContact O-N 2.65Å; G14-A16 PolarHBondContact O-N 2.76Å; G14-A16 VanDerWaalsContact O-N 3.16Å
15	G	70.5	Confident	73.4	Confident	73 Å²	73	140 Å²	140	75%	0.753	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-47.2	125.5	-166.5	0	0	0	0	0	110.6	K13 K17	K13-G15 PolarHBondContact O-N 3.14Å; G15-K17 PolarHBondContact O-N 3.28Å
16	A	76.2	Confident	75	Confident	91 Å²	91	141.9 Å²	141.9	75%	0.752	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-47.1	128.2	179.9	0	0	0	0	0	109.4	G14 R18	G14-A16 PolarHBondContact O-N 2.76Å; G14-A16 VanDerWaalsContact O-N 3.16Å; A16-R18 PolarHBondContact O-N 3.37Å
17	K	76.9	Confident	76.6	Confident	201 Å²	201	134.3 Å²	134.3	87%	0.874	74%	0.742	S	S	*	*			trans	-57.3	106.3	179.9	-163.4	174.5	-173.6	176.8	0	107.5	G15 H19	G15-K17 PolarHBondContact O-N 3.28Å; K17-H19 PolarHBondContact O-N 3.43Å
18	R	80.4	Confident	78.3	Confident	242 Å²	242	135.1 Å²	135.1	91%	0.913	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-65	122.9	-177.6	-71.6	-175	177.2	-178.2	-0.7	108.4	A16	A16-R18 PolarHBondContact O-N 3.37Å
19	H	82.8	Confident	79.9	Confident	185 Å²	185	134.4 Å²	134.4	86%	0.856	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-61.7	138.8	168.8	-72.1	-88	0	0	0	109.3	K17 K21	K17-H19 PolarHBondContact O-N 3.43Å; H19-K21 PolarHBondContact O-N 3.12Å
20	R	86.6	Confident	81.5	Confident	237 Å²	237	128.3 Å²	128.3	89%	0.894	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-64.4	130.1	178.4	-176.8	174	65.3	-178.6	0.1	109.3
21	K	88.3	Confident	83.3	Confident	176 Å²	176	127.8 Å²	127.8	77%	0.765	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-62.4	138.8	173.3	-171.1	176.2	-179.4	179.2	0	110	H19 L23	H19-K21 PolarHBondContact O-N 3.12Å; K21-L23 PolarHBondContact O-N 3.5Å
22	V	87.4	Confident	85.1	Confident	103 Å²	103	126.1 Å²	126.1	62%	0.624	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-70.7	123.1	169.9	-176.2	0	0	0	0	108.3	R24	V22-R24 HydrophobicContact CG1-CG 4.11Å
23	L	89.4	Confident	86.8	Confident	128 Å²	128	126 Å²	126	67%	0.67	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-88	130	175.9	-61.5	177	0	0	0	109	K21	K21-L23 PolarHBondContact O-N 3.5Å
24	R	90.1	Very high	88.3	Confident	194 Å²	194	117.6 Å²	117.6	73%	0.732	62%	0.617	S	S	*	*			trans	-140.8	146	176.8	-62.9	-174.3	-178.7	178.2	-0.1	109.4	V22 N26	V22-R24 HydrophobicContact CG1-CG 4.11Å; R24-N26 PolarHBondContact O-N 2.98Å; R24-N26 PolarHBondContact O-OD1 2.9Å
25	D	90.1	Very high	90	Very high	132 Å²	132	114.5 Å²	114.5	71%	0.706	58%	0.584	S	S	*	*			trans	54	22.8	169.6	-51.8	-40	0	0	0	117.2	I27 Q28	D25-I27 PolarHBondContact O-N 3.2Å; D25-Q28 PolarHBondContact O-N 3.33Å
26	N	94.4	Very high	91.3	Very high	106 Å²	106	116 Å²	116	57%	0.567	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-57.9	-19	177.2	-70.9	-13.5	0	0	0	113.4	R24 Q28 G29	R24-N26 PolarHBondContact O-N 2.98Å; R24-N26 PolarHBondContact O-OD1 2.9Å; N26-Q28 PolarHBondContact O-N 3.44Å; N26-G29 WeakPolarHBondContact O-CA 3.46Å; N26-G29 PolarHBondContact O-N 3.06Å
27	I	95.6	Very high	92.4	Very high	53 Å²	53	119.3 Å²	119.3	27%	0.272	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-59.3	-28.8	176	-164.1	61	0	0	0	112.3	D25 G29 I30 R56 K60	D25-I27 PolarHBondContact O-N 3.2Å; I27-G29 PolarHBondContact O-N 3.33Å; I27-I30 WeakPolarHBondContact O-CB 3.4Å; I27-I30 PolarHBondContact O-N 3.42Å; I27-I30 VanDerWaalsContact O-N 3.15Å; I27-R56 HydrophobicContact CD1-CB 4.05Å; I27-R56 HydrophobicContact CD1-CG 4.31Å; I27-R56 HydrophobicContact CG1-CB 3.71Å; I27-R56 HydrophobicContact CG1-CG 4Å; I27-R56 WeakPolarHBondContact O-CD 3.34Å; I27-R56 PolarHBondContact O-NE 2.94Å; I27-K60 HydrophobicContact CD1-CB 4.44Å
28	Q	95.3	Very high	93.4	Very high	91 Å²	91	114.8 Å²	114.8	43%	0.425	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-71.9	-16.7	175	-63	-56.9	-31.1	0	0	112.8	D25 N26 I30 E53 R56	D25-Q28 PolarHBondContact O-N 3.33Å; N26-Q28 PolarHBondContact O-N 3.44Å; Q28-I30 PolarHBondContact O-N 2.96Å; Q28-E53 PolarHBondContact NE2-OE2 2.94Å; Q28-R56 VanDerWaalsContact OE1-CZ 3.23Å
29	G	96.1	Very high	94.2	Very high	58 Å²	58	104.2 Å²	104.2	60%	0.598	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-63.3	-19.2	169.1	0	0	0	0	0	113.3	N26 I27 T31	N26-G29 WeakPolarHBondContact O-CA 3.46Å; N26-G29 PolarHBondContact O-N 3.06Å; I27-G29 PolarHBondContact O-N 3.33Å; G29-T31 VanDerWaalsContact C-N 3.34Å; G29-T31 PolarHBondContact O-N 3.38Å; G29-T31 VanDerWaalsContact O-N 3.07Å
30	I	97.4	Very high	95	Very high	60 Å²	60	100.8 Å²	100.8	31%	0.308	49%	0.488	S	S	.	.	S	Bend	trans	-79	89.6	165.1	-50.3	-58.4	0	0	0	107.7	I27 Q28 I35 R56 L59	I27-I30 WeakPolarHBondContact O-CB 3.4Å; I27-I30 PolarHBondContact O-N 3.42Å; I27-I30 VanDerWaalsContact O-N 3.15Å; Q28-I30 PolarHBondContact O-N 2.96Å; I30-I35 HydrophobicContact CG2-CD1 4.29Å; I30-I35 HydrophobicContact CG2-CG1 3.97Å; I30-R56 HydrophobicContact CB-CG 4.47Å; I30-R56 PolarHBondContact O-NE 3.41Å; I30-R56 PolarHBondContact O-NH2 3.45Å; I30-L59 HydrophobicContact CD1-CD2 4.17Å; I30-L59 HydrophobicContact CG1-CD2 3.82Å; I30-L59 HydrophobicContact CG2-CD2 4.33Å
31	T	98.2	Very high	95.5	Very high	65 Å²	65	99.7 Å²	99.7	40%	0.399	48%	0.484	S	S	.	.			trans	-76.1	155	-170.8	62.3	0	0	0	0	112.8	G29 P33 A34 I35	G29-T31 VanDerWaalsContact C-N 3.34Å; G29-T31 PolarHBondContact O-N 3.38Å; G29-T31 VanDerWaalsContact O-N 3.07Å; T31-P33 VanDerWaalsContact C-CD 3.48Å; T31-P33 VanDerWaalsContact C-N 3.32Å; T31-A34 WeakPolarHBondContact O-CB 3.21Å; T31-A34 PolarHBondContact O-N 3.41Å; T31-I35 PolarHBondContact O-N 3.27Å; T31-I35 VanDerWaalsContact O-N 3.15Å
32	K	98.3	Very high	96	Very high	112 Å²	112	94.4 Å²	94.4	49%	0.487	48%	0.479	S	S	.	.	H	α-helix	trans	-52.5	-40.9	177	-61.3	-175.7	178.4	177.6	0	113.4	A34 I35 R36 Y52	K32-A34 VanDerWaalsContact C-N 3.34Å; K32-A34 PolarHBondContact O-N 3.15Å; K32-I35 PolarHBondContact O-N 3.37Å; K32-R36 PolarHBondContact O-N 3.3Å; K32-Y52 HydrophobicContact CB-CD1 3.93Å; K32-Y52 HydrophobicContact CB-CE1 3.88Å; K32-Y52 HydrophobicContact CB-CG 4.45Å; K32-Y52 HydrophobicContact CD-CD1 4.37Å; K32-Y52 HydrophobicContact CD-CD2 3.88Å; K32-Y52 HydrophobicContact CD-CE1 4.47Å; K32-Y52 HydrophobicContact CD-CE2 4.02Å; K32-Y52 HydrophobicContact CD-CG 4.1Å; K32-Y52 HydrophobicContact CG-CD1 3.79Å; K32-Y52 HydrophobicContact CG-CD2 4.14Å; K32-Y52 HydrophobicContact CG-CE1 4.12Å; K32-Y52 HydrophobicContact CG-CE2 4.47Å; K32-Y52 HydrophobicContact CG-CG 3.82Å
33	P	98.3	Very high	96.5	Very high	69 Å²	69	92.6 Å²	92.6	45%	0.448	48%	0.481	S	S	.	.	H	α-helix	trans	-62.2	-36.2	174	-24.9	36.1	0	0	0	113.9	T31 R36 R37	T31-P33 VanDerWaalsContact C-CD 3.48Å; T31-P33 VanDerWaalsContact C-N 3.32Å; P33-R36 PolarHBondContact O-N 2.96Å; P33-R37 WeakPolarHBondContact O-CG 3.45Å; P33-R37 PolarHBondContact O-N 2.94Å
34	A	98.5	Very high	96.9	Very high	22 Å²	22	89.3 Å²	89.3	18%	0.182	47%	0.467	C	S	.	.	H	α-helix	trans	-65.4	-45.6	176.7	0	0	0	0	0	111.6	T31 K32 R36 R37 L38	T31-A34 WeakPolarHBondContact O-CB 3.21Å; T31-A34 PolarHBondContact O-N 3.41Å; K32-A34 VanDerWaalsContact C-N 3.34Å; K32-A34 PolarHBondContact O-N 3.15Å; A34-R36 VanDerWaalsContact C-N 3.31Å; A34-R36 PolarHBondContact O-N 2.67Å; A34-R37 PolarHBondContact O-N 3.31Å; A34-L38 PolarHBondContact O-N 2.87Å; A34-L38 VanDerWaalsContact O-N 3.12Å
35	I	98.5	Very high	97.3	Very high	6 Å²	6	88.9 Å²	88.9	3%	0.031	47%	0.47	C	S	.	.	H	α-helix	trans	-59.7	-43.4	174.7	-63.1	172.6	0	0	0	110.4	I30 T31 K32 R37 L38 A39 Y52 T55 R56	I30-I35 HydrophobicContact CG2-CD1 4.29Å; I30-I35 HydrophobicContact CG2-CG1 3.97Å; T31-I35 PolarHBondContact O-N 3.27Å; T31-I35 VanDerWaalsContact O-N 3.15Å; K32-I35 PolarHBondContact O-N 3.37Å; I35-R37 PolarHBondContact O-N 3.04Å; I35-L38 PolarHBondContact O-N 3.38Å; I35-A39 WeakPolarHBondContact O-CB 3.24Å; I35-A39 PolarHBondContact O-N 3.44Å; I35-Y52 HydrophobicContact CB-CD1 4.29Å; I35-Y52 HydrophobicContact CD1-CD1 4.22Å; I35-Y52 HydrophobicContact CG2-CD1 4.13Å; I35-T55 HydrophobicContact CD1-CG2 4.43Å; I35-T55 HydrophobicContact CG1-CG2 4.29Å; I35-T55 HydrophobicContact CG2-CG2 4.17Å; I35-R56 HydrophobicContact CD1-CG 4.4Å
36	R	98.4	Very high	97.7	Very high	104 Å²	104	93.4 Å²	93.4	39%	0.392	48%	0.477	S	S	.	.	H	α-helix	trans	-60.1	-44.7	176.5	-167.3	-176.1	-57.5	-76.5	1.5	111.6	K32 P33 A34 L38 A39 R40 I47 Y52	K32-R36 PolarHBondContact O-N 3.3Å; P33-R36 PolarHBondContact O-N 2.96Å; A34-R36 VanDerWaalsContact C-N 3.31Å; A34-R36 PolarHBondContact O-N 2.67Å; R36-L38 VanDerWaalsContact C-N 3.33Å; R36-L38 PolarHBondContact O-N 3.47Å; R36-A39 PolarHBondContact O-N 2.98Å; R36-R40 HydrophobicContact CG-CG 4.32Å; R36-R40 WeakPolarHBondContact O-CB 3.44Å; R36-R40 WeakPolarHBondContact O-CG 3.42Å; R36-R40 PolarHBondContact O-N 3.42Å; R36-I47 HydrophobicContact CG-CD1 4.13Å; R36-Y52 PolarHBondContact NH2-OH 3.49Å
37	R	98.6	Very high	97.8	Very high	162 Å²	162	90 Å²	90	61%	0.611	46%	0.459	S	S	*	.	H	α-helix	trans	-59.5	-42.5	177.6	-73.3	-172.3	-61.2	-92.5	5.6	112.3	P33 A34 I35 R40 R41	P33-R37 WeakPolarHBondContact O-CG 3.45Å; P33-R37 PolarHBondContact O-N 2.94Å; A34-R37 PolarHBondContact O-N 3.31Å; I35-R37 PolarHBondContact O-N 3.04Å; R37-R40 PolarHBondContact O-N 3.49Å; R37-R41 PolarHBondContact O-N 3.17Å
38	L	98.3	Very high	97.9	Very high	105 Å²	105	90.9 Å²	90.9	55%	0.55	47%	0.469	S	S	.	.	H	α-helix	trans	-64.2	-48.3	176	-68.9	172.1	0	0	0	111.9	A34 I35 R36 R40 R41 G42	A34-L38 PolarHBondContact O-N 2.87Å; A34-L38 VanDerWaalsContact O-N 3.12Å; I35-L38 PolarHBondContact O-N 3.38Å; R36-L38 VanDerWaalsContact C-N 3.33Å; R36-L38 PolarHBondContact O-N 3.47Å; L38-R40 VanDerWaalsContact C-N 3.31Å; L38-R40 PolarHBondContact O-N 3.15Å; L38-R41 WeakPolarHBondContact O-CB 3.18Å; L38-R41 PolarHBondContact O-N 3.1Å; L38-G42 PolarHBondContact O-N 3.28Å
39	A	98.1	Very high	98	Very high	20 Å²	20	89.2 Å²	89.2	17%	0.165	48%	0.477	C	S	.	.	H	α-helix	trans	-60.5	-40.2	178.2	0	0	0	0	0	112.1	I35 R36 G42 G43 V44 I47	I35-A39 WeakPolarHBondContact O-CB 3.24Å; I35-A39 PolarHBondContact O-N 3.44Å; R36-A39 PolarHBondContact O-N 2.98Å; A39-G42 CarbonylContact O-C 3.52Å; A39-G42 WeakPolarHBondContact O-CA 3.47Å; A39-G42 PolarHBondContact O-N 3.38Å; A39-G42 VanDerWaalsContact O-N 3.14Å; A39-G43 PolarHBondContact O-N 3.11Å; A39-V44 HydrophobicContact CB-CB 4.04Å; A39-V44 HydrophobicContact CB-CG1 4.49Å; A39-V44 HydrophobicContact CB-CG2 4.12Å; A39-V44 VanDerWaalsContact O-CB 3.24Å; A39-V44 WeakPolarHBondContact O-CB 3.32Å; A39-V44 VanDerWaalsContact O-CG2 3.29Å; A39-V44 WeakPolarHBondContact O-CG2 3.38Å; A39-V44 PolarHBondContact O-N 2.64Å; A39-I47 HydrophobicContact CB-CD1 3.59Å; A39-I47 HydrophobicContact CB-CG1 4.41Å
40	R	98.4	Very high	98.1	Very high	114 Å²	114	93.3 Å²	93.3	43%	0.43	48%	0.484	S	S	.	.	H	α-helix	trans	-64.1	-41.3	175.5	-68.7	-59.5	-175.6	-131.5	10.1	112.3	R36 R37 L38 G42 G43 V44 K45	R36-R40 HydrophobicContact CG-CG 4.32Å; R36-R40 WeakPolarHBondContact O-CB 3.44Å; R36-R40 WeakPolarHBondContact O-CG 3.42Å; R36-R40 PolarHBondContact O-N 3.42Å; R37-R40 PolarHBondContact O-N 3.49Å; L38-R40 VanDerWaalsContact C-N 3.31Å; L38-R40 PolarHBondContact O-N 3.15Å; R40-G42 PolarHBondContact O-N 2.89Å; R40-G43 PolarHBondContact O-N 3.07Å; R40-V44 WeakPolarHBondContact CD-O 3.29Å; R40-V44 PolarHBondContact NH1-O 3.28Å; R40-K45 VanDerWaalsContact CZ-O 3.32Å; R40-K45 PolarHBondContact NH1-O 2.94Å; R40-K45 PolarHBondContact NH2-O 3.47Å; R40-K45 VanDerWaalsContact NH2-O 3.14Å
41	R	98.5	Very high	98.1	Very high	214 Å²	214	94 Å²	94	81%	0.808	49%	0.488	S	S	*	.	H	α-helix	trans	-59.1	-34.7	172.6	-174.7	-178.8	-65.3	163.2	-2.3	111.8	R37 L38 G43	R37-R41 PolarHBondContact O-N 3.17Å; L38-R41 WeakPolarHBondContact O-CB 3.18Å; L38-R41 PolarHBondContact O-N 3.1Å; R41-G43 PolarHBondContact O-N 3.46Å
42	G	97.9	Very high	98.1	Very high	64 Å²	64	92 Å²	92	66%	0.66	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	9.5	172.9	0	0	0	0	0	115.4	L38 A39 R40 V44	L38-G42 PolarHBondContact O-N 3.28Å; A39-G42 CarbonylContact O-C 3.52Å; A39-G42 WeakPolarHBondContact O-CA 3.47Å; A39-G42 PolarHBondContact O-N 3.38Å; A39-G42 VanDerWaalsContact O-N 3.14Å; R40-G42 PolarHBondContact O-N 2.89Å; G42-V44 VanDerWaalsContact C-N 3.3Å; G42-V44 PolarHBondContact O-N 2.94Å
43	G	98.2	Very high	98.1	Very high	65 Å²	65	91.5 Å²	91.5	67%	0.67	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	8.8	177.8	0	0	0	0	0	115.2	A39 R40 R41 K45	A39-G43 PolarHBondContact O-N 3.11Å; R40-G43 PolarHBondContact O-N 3.07Å; R41-G43 PolarHBondContact O-N 3.46Å; G43-K45 PolarHBondContact O-N 3.31Å
44	V	98.2	Very high	98	Very high	60 Å²	60	94.1 Å²	94.1	36%	0.364	48%	0.479	S	S	.	.			trans	-68.6	127.2	-179.7	-178.8	0	0	0	0	109.8	A39 R40 G42 R46 I47	A39-V44 HydrophobicContact CB-CB 4.04Å; A39-V44 HydrophobicContact CB-CG1 4.49Å; A39-V44 HydrophobicContact CB-CG2 4.12Å; A39-V44 VanDerWaalsContact O-CB 3.24Å; A39-V44 WeakPolarHBondContact O-CB 3.32Å; A39-V44 VanDerWaalsContact O-CG2 3.29Å; A39-V44 WeakPolarHBondContact O-CG2 3.38Å; A39-V44 PolarHBondContact O-N 2.64Å; R40-V44 WeakPolarHBondContact CD-O 3.29Å; R40-V44 PolarHBondContact NH1-O 3.28Å; G42-V44 VanDerWaalsContact C-N 3.3Å; G42-V44 PolarHBondContact O-N 2.94Å; V44-R46 WeakPolarHBondContact CG1-O 3.44Å; V44-I47 HydrophobicContact CG1-CD1 4.48Å; V44-I47 HydrophobicContact CG1-CG1 3.72Å
45	K	97.8	Very high	98	Very high	185 Å²	185	95.3 Å²	95.3	80%	0.804	48%	0.484	S	S	*	.			trans	-92	-42.6	-179.6	-168.1	174.9	-176.8	174.7	0	113.8	R40 G43	R40-K45 VanDerWaalsContact CZ-O 3.32Å; R40-K45 PolarHBondContact NH1-O 2.94Å; R40-K45 PolarHBondContact NH2-O 3.47Å; R40-K45 VanDerWaalsContact NH2-O 3.14Å; G43-K45 PolarHBondContact O-N 3.31Å
46	R	97.8	Very high	98	Very high	226 Å²	226	95.5 Å²	95.5	85%	0.853	48%	0.484	S	S	*	.			trans	-126.6	147.2	176.3	-71.3	-173.2	166.9	-152.5	-2.2	110.4	V44	V44-R46 WeakPolarHBondContact CG1-O 3.44Å
47	I	97.4	Very high	98	Very high	36 Å²	36	92.3 Å²	92.3	19%	0.185	48%	0.484	C	S	.	.			trans	-133	127.1	-174.8	-55.3	174.5	0	0	0	108.2	R36 A39 V44 I51	R36-I47 HydrophobicContact CG-CD1 4.13Å; A39-I47 HydrophobicContact CB-CD1 3.59Å; A39-I47 HydrophobicContact CB-CG1 4.41Å; V44-I47 HydrophobicContact CG1-CD1 4.48Å; V44-I47 HydrophobicContact CG1-CG1 3.72Å; I47-I51 HydrophobicContact CG2-CB 3.89Å; I47-I51 HydrophobicContact CG2-CG1 4.24Å; I47-I51 HydrophobicContact CG2-CG2 3.99Å
48	S	97.8	Very high	98	Very high	70 Å²	70	88.9 Å²	88.9	49%	0.49	48%	0.481	S	S	.	.			trans	-72.4	152	172.9	174.4	0	0	0	0	111.4	L50 I51	S48-L50 PolarHBondContact O-N 3.31Å; S48-I51 WeakPolarHBondContact O-CB 3.08Å; S48-I51 PolarHBondContact O-N 3.42Å
49	G	97	Very high	98	Very high	56 Å²	56	86.5 Å²	86.5	58%	0.577	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.3	177.3	0	0	0	0	0	114	I51 Y52	G49-I51 VanDerWaalsContact C-N 3.27Å; G49-I51 PolarHBondContact O-N 3.17Å; G49-Y52 WeakPolarHBondContact O-CD2 3.46Å
50	L	97.6	Very high	97.9	Very high	145 Å²	145	91.1 Å²	91.1	76%	0.759	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-21.4	-178.9	-62.9	176.9	0	0	0	113.2	S48 Y52 E53 E54	S48-L50 PolarHBondContact O-N 3.31Å; L50-Y52 PolarHBondContact O-N 3.44Å; L50-E53 PolarHBondContact O-N 3.34Å; L50-E54 PolarHBondContact O-N 3.25Å
51	I	98.1	Very high	97.9	Very high	73 Å²	73	89.4 Å²	89.4	37%	0.374	49%	0.487	S	S	.	.	H	α-helix	trans	-64.3	-24.6	-176.3	-63.5	-63.9	0	0	0	112.5	I47 S48 G49 T55	I47-I51 HydrophobicContact CG2-CB 3.89Å; I47-I51 HydrophobicContact CG2-CG1 4.24Å; I47-I51 HydrophobicContact CG2-CG2 3.99Å; S48-I51 WeakPolarHBondContact O-CB 3.08Å; S48-I51 PolarHBondContact O-N 3.42Å; G49-I51 VanDerWaalsContact C-N 3.27Å; G49-I51 PolarHBondContact O-N 3.17Å; I51-T55 VanDerWaalsContact O-CB 3.28Å; I51-T55 WeakPolarHBondContact O-CB 3.37Å; I51-T55 PolarHBondContact O-N 2.89Å; I51-T55 PolarHBondContact O-OG1 2.99Å
52	Y	97.8	Very high	97.8	Very high	23 Å²	23	82.1 Å²	82.1	9%	0.09	46%	0.461	C	S	.	.	H	α-helix	trans	-67.2	-42.6	-178.1	-55.8	-62.8	0	0	0	112.8	K32 I35 R36 G49 L50 R56	K32-Y52 HydrophobicContact CB-CD1 3.93Å; K32-Y52 HydrophobicContact CB-CE1 3.88Å; K32-Y52 HydrophobicContact CB-CG 4.45Å; K32-Y52 HydrophobicContact CD-CD1 4.37Å; K32-Y52 HydrophobicContact CD-CD2 3.88Å; K32-Y52 HydrophobicContact CD-CE1 4.47Å; K32-Y52 HydrophobicContact CD-CE2 4.02Å; K32-Y52 HydrophobicContact CD-CG 4.1Å; K32-Y52 HydrophobicContact CG-CD1 3.79Å; K32-Y52 HydrophobicContact CG-CD2 4.14Å; K32-Y52 HydrophobicContact CG-CE1 4.12Å; K32-Y52 HydrophobicContact CG-CE2 4.47Å; K32-Y52 HydrophobicContact CG-CG 3.82Å; I35-Y52 HydrophobicContact CB-CD1 4.29Å; I35-Y52 HydrophobicContact CD1-CD1 4.22Å; I35-Y52 HydrophobicContact CG2-CD1 4.13Å; R36-Y52 PolarHBondContact NH2-OH 3.49Å; G49-Y52 WeakPolarHBondContact O-CD2 3.46Å; L50-Y52 PolarHBondContact O-N 3.44Å; Y52-R56 WeakPolarHBondContact O-CG 3.35Å; Y52-R56 PolarHBondContact O-N 3.18Å; Y52-R56 PolarHBondContact O-NH1 3.39Å
53	E	97.8	Very high	97.8	Very high	103 Å²	103	82.8 Å²	82.8	48%	0.481	45%	0.449	S	S	.	.	H	α-helix	trans	-76.9	-38.2	176.3	-62.8	-50.9	143.7	0	0	111.1	Q28 L50 T55 R56 G57	Q28-E53 PolarHBondContact NE2-OE2 2.94Å; L50-E53 PolarHBondContact O-N 3.34Å; E53-T55 VanDerWaalsContact C-N 3.35Å; E53-T55 PolarHBondContact O-N 3.32Å; E53-R56 WeakPolarHBondContact O-CB 3.42Å; E53-R56 PolarHBondContact O-N 3.45Å; E53-R56 VanDerWaalsContact O-N 3.1Å; E53-R56 IonicContact OE1-CZ 3.69Å; E53-R56 IonicContact OE1-NH1 2.64Å; E53-R56 PolarHBondContact OE1-NH1 3.44Å; E53-R56 IonicContact OE2-NH1 3.28Å; E53-R56 PolarHBondContact OE2-NH1 2.93Å; E53-G57 PolarHBondContact O-N 3.26Å
54	E	98	Very high	97.8	Very high	123 Å²	123	83.7 Å²	83.7	58%	0.575	44%	0.436	S	S	*	.	H	α-helix	trans	-57.6	-47.3	176	-172.2	59.6	-156	0	0	111.8	L50 R56 G57 V58	L50-E54 PolarHBondContact O-N 3.25Å; E54-R56 VanDerWaalsContact C-N 3.25Å; E54-R56 PolarHBondContact O-N 3.29Å; E54-G57 PolarHBondContact O-N 3.33Å; E54-G57 VanDerWaalsContact O-N 3.11Å; E54-V58 WeakPolarHBondContact O-CG2 3.45Å; E54-V58 PolarHBondContact O-N 3.29Å
55	T	98.3	Very high	97.7	Very high	47 Å²	47	83.8 Å²	83.8	29%	0.288	43%	0.434	S	S	.	.	H	α-helix	trans	-60.4	-37	178.1	-55.4	0	0	0	0	111.7	I35 I51 E53 L59	I35-T55 HydrophobicContact CD1-CG2 4.43Å; I35-T55 HydrophobicContact CG1-CG2 4.29Å; I35-T55 HydrophobicContact CG2-CG2 4.17Å; I51-T55 VanDerWaalsContact O-CB 3.28Å; I51-T55 WeakPolarHBondContact O-CB 3.37Å; I51-T55 PolarHBondContact O-N 2.89Å; I51-T55 PolarHBondContact O-OG1 2.99Å; E53-T55 VanDerWaalsContact C-N 3.35Å; E53-T55 PolarHBondContact O-N 3.32Å; T55-L59 VanDerWaalsContact O-CB 3.3Å; T55-L59 WeakPolarHBondContact O-CB 3.3Å; T55-L59 PolarHBondContact O-N 3.05Å
56	R	98.3	Very high	97.7	Very high	11 Å²	11	75.5 Å²	75.5	4%	0.042	40%	0.399	C	S	.	.	H	α-helix	trans	-68.3	-40.7	176.6	-76	-179.4	-167.2	124.3	-26.4	111.6	I27 Q28 I30 I35 Y52 E53 E54 L59 K60	I27-R56 HydrophobicContact CD1-CB 4.05Å; I27-R56 HydrophobicContact CD1-CG 4.31Å; I27-R56 HydrophobicContact CG1-CB 3.71Å; I27-R56 HydrophobicContact CG1-CG 4Å; I27-R56 WeakPolarHBondContact O-CD 3.34Å; I27-R56 PolarHBondContact O-NE 2.94Å; Q28-R56 VanDerWaalsContact OE1-CZ 3.23Å; I30-R56 HydrophobicContact CB-CG 4.47Å; I30-R56 PolarHBondContact O-NE 3.41Å; I30-R56 PolarHBondContact O-NH2 3.45Å; I35-R56 HydrophobicContact CD1-CG 4.4Å; Y52-R56 WeakPolarHBondContact O-CG 3.35Å; Y52-R56 PolarHBondContact O-N 3.18Å; Y52-R56 PolarHBondContact O-NH1 3.39Å; E53-R56 WeakPolarHBondContact O-CB 3.42Å; E53-R56 PolarHBondContact O-N 3.45Å; E53-R56 VanDerWaalsContact O-N 3.1Å; E53-R56 IonicContact OE1-CZ 3.69Å; E53-R56 IonicContact OE1-NH1 2.64Å; E53-R56 PolarHBondContact OE1-NH1 3.44Å; E53-R56 IonicContact OE2-NH1 3.28Å; E53-R56 PolarHBondContact OE2-NH1 2.93Å; E54-R56 VanDerWaalsContact C-N 3.25Å; E54-R56 PolarHBondContact O-N 3.29Å; R56-L59 PolarHBondContact O-N 3.29Å; R56-K60 WeakPolarHBondContact O-CB 3.48Å; R56-K60 PolarHBondContact O-N 3.13Å
57	G	98	Very high	97.7	Very high	37 Å²	37	69.3 Å²	69.3	38%	0.381	38%	0.382	S	S	.	.	H	α-helix	trans	-57.4	-52.4	173.4	0	0	0	0	0	111.8	E53 E54 L59 K60 V61	E53-G57 PolarHBondContact O-N 3.26Å; E54-G57 PolarHBondContact O-N 3.33Å; E54-G57 VanDerWaalsContact O-N 3.11Å; G57-L59 PolarHBondContact O-N 3.41Å; G57-K60 WeakPolarHBondContact O-CB 3.47Å; G57-K60 PolarHBondContact O-N 3.33Å; G57-V61 PolarHBondContact O-N 3Å; G57-V61 VanDerWaalsContact O-N 3.1Å
58	V	98	Very high	97.8	Very high	90 Å²	90	74 Å²	74	55%	0.545	40%	0.397	S	S	.	.	H	α-helix	trans	-60.4	-44.9	178.5	177.1	0	0	0	0	111.8	E54 K60 V61 F62	E54-V58 WeakPolarHBondContact O-CG2 3.45Å; E54-V58 PolarHBondContact O-N 3.29Å; V58-K60 VanDerWaalsContact C-N 3.31Å; V58-K60 PolarHBondContact O-N 3.22Å; V58-V61 PolarHBondContact O-N 3.34Å; V58-F62 WeakPolarHBondContact O-CB 3.28Å; V58-F62 PolarHBondContact O-N 3.41Å
59	L	98.1	Very high	97.8	Very high	55 Å²	55	71.8 Å²	71.8	29%	0.288	38%	0.38	S	S	.	.	H	α-helix	trans	-60.8	-41.2	178.2	177	62.1	0	0	0	111.8	I30 T55 R56 G57 F62 L63	I30-L59 HydrophobicContact CD1-CD2 4.17Å; I30-L59 HydrophobicContact CG1-CD2 3.82Å; I30-L59 HydrophobicContact CG2-CD2 4.33Å; T55-L59 VanDerWaalsContact O-CB 3.3Å; T55-L59 WeakPolarHBondContact O-CB 3.3Å; T55-L59 PolarHBondContact O-N 3.05Å; R56-L59 PolarHBondContact O-N 3.29Å; G57-L59 PolarHBondContact O-N 3.41Å; L59-F62 PolarHBondContact O-N 2.99Å; L59-L63 HydrophobicContact CD1-CD1 4.05Å; L59-L63 HydrophobicContact CD1-CG 4.13Å; L59-L63 HydrophobicContact CG-CD1 4.1Å; L59-L63 WeakPolarHBondContact O-CG 3.42Å; L59-L63 PolarHBondContact O-N 3.38Å
60	K	97	Very high	97.8	Very high	116 Å²	116	69.3 Å²	69.3	50%	0.504	35%	0.353	S	S	.	.	H	α-helix	trans	-61.5	-50.4	178.2	-178.8	178.4	171.3	-174.6	0	111.1	I27 R56 G57 V58 F62 L63 E64	I27-K60 HydrophobicContact CD1-CB 4.44Å; R56-K60 WeakPolarHBondContact O-CB 3.48Å; R56-K60 PolarHBondContact O-N 3.13Å; G57-K60 WeakPolarHBondContact O-CB 3.47Å; G57-K60 PolarHBondContact O-N 3.33Å; V58-K60 VanDerWaalsContact C-N 3.31Å; V58-K60 PolarHBondContact O-N 3.22Å; K60-F62 VanDerWaalsContact C-N 3.3Å; K60-F62 PolarHBondContact O-N 3.16Å; K60-L63 PolarHBondContact O-N 3.1Å; K60-E64 WeakPolarHBondContact CE-OE1 3.46Å; K60-E64 HydrophobicContact CG-CG 4.45Å; K60-E64 IonicContact NZ-OE1 3.98Å; K60-E64 WeakPolarHBondContact O-CG 3.21Å; K60-E64 PolarHBondContact O-N 2.96Å
61	V	97.7	Very high	97.9	Very high	79 Å²	79	64.8 Å²	64.8	48%	0.479	33%	0.332	S	S	.	.	H	α-helix	trans	-59.5	-42.8	178.6	174.2	0	0	0	0	111.2	G57 V58 E64 N65	G57-V61 PolarHBondContact O-N 3Å; G57-V61 VanDerWaalsContact O-N 3.1Å; V58-V61 PolarHBondContact O-N 3.34Å; V61-E64 PolarHBondContact O-N 3.34Å; V61-N65 PolarHBondContact O-N 3.38Å; V61-N65 VanDerWaalsContact O-N 3.16Å; V61-N65 PolarHBondContact O-ND2 3.21Å
62	F	97.6	Very high	97.9	Very high	61 Å²	61	65.1 Å²	65.1	27%	0.268	34%	0.338	S	S	.	.	H	α-helix	trans	-58.9	-49.7	176.5	174.3	-104.6	0	0	0	111.9	V58 L59 K60 N65 V66 L91	V58-F62 WeakPolarHBondContact O-CB 3.28Å; V58-F62 PolarHBondContact O-N 3.41Å; L59-F62 PolarHBondContact O-N 2.99Å; K60-F62 VanDerWaalsContact C-N 3.3Å; K60-F62 PolarHBondContact O-N 3.16Å; F62-N65 PolarHBondContact O-N 3.44Å; F62-V66 HydrophobicContact CD2-CG2 4.32Å; F62-V66 HydrophobicContact CE1-CG2 4.22Å; F62-V66 HydrophobicContact CE2-CG2 3.76Å; F62-V66 HydrophobicContact CZ-CG2 3.73Å; F62-V66 WeakPolarHBondContact O-CG2 3.37Å; F62-V66 PolarHBondContact O-N 2.97Å; F62-V66 VanDerWaalsContact O-N 3.13Å; F62-L91 HydrophobicContact CZ-CD2 4.05Å
63	L	97.5	Very high	97.8	Very high	77 Å²	77	67.8 Å²	67.8	40%	0.403	35%	0.348	S	S	.	.	H	α-helix	trans	-66.2	-39.4	-179.6	-70.4	174.9	0	0	0	112.4	L59 K60 N65 V66 I67	L59-L63 HydrophobicContact CD1-CD1 4.05Å; L59-L63 HydrophobicContact CD1-CG 4.13Å; L59-L63 HydrophobicContact CG-CD1 4.1Å; L59-L63 WeakPolarHBondContact O-CG 3.42Å; L59-L63 PolarHBondContact O-N 3.38Å; K60-L63 PolarHBondContact O-N 3.1Å; L63-N65 VanDerWaalsContact C-N 3.28Å; L63-N65 PolarHBondContact O-N 3.41Å; L63-V66 PolarHBondContact O-N 3.26Å; L63-I67 HydrophobicContact CB-CD1 4.21Å; L63-I67 VanDerWaalsContact O-CB 3.24Å; L63-I67 WeakPolarHBondContact O-CB 3.5Å; L63-I67 WeakPolarHBondContact O-CG1 3.37Å; L63-I67 PolarHBondContact O-N 3.15Å
64	E	97.6	Very high	97.9	Very high	85 Å²	85	63.1 Å²	63.1	40%	0.397	33%	0.327	S	S	.	.	H	α-helix	trans	-57.5	-43	176	-77.2	174.8	175.8	0	0	111.6	K60 V61 R68	K60-E64 WeakPolarHBondContact CE-OE1 3.46Å; K60-E64 HydrophobicContact CG-CG 4.45Å; K60-E64 IonicContact NZ-OE1 3.98Å; K60-E64 WeakPolarHBondContact O-CG 3.21Å; K60-E64 PolarHBondContact O-N 2.96Å; V61-E64 PolarHBondContact O-N 3.34Å; E64-R68 WeakPolarHBondContact O-CB 3.32Å; E64-R68 PolarHBondContact O-N 2.91Å
65	N	97.4	Very high	97.9	Very high	62 Å²	62	63.6 Å²	63.6	33%	0.332	33%	0.329	S	S	.	.	H	α-helix	trans	-69.3	-46.3	179.5	-68.3	-23.3	0	0	0	112.6	V61 F62 L63 R68 D69 Q94	V61-N65 PolarHBondContact O-N 3.38Å; V61-N65 VanDerWaalsContact O-N 3.16Å; V61-N65 PolarHBondContact O-ND2 3.21Å; F62-N65 PolarHBondContact O-N 3.44Å; L63-N65 VanDerWaalsContact C-N 3.28Å; L63-N65 PolarHBondContact O-N 3.41Å; N65-R68 PolarHBondContact OD1-NH1 3.24Å; N65-D69 PolarHBondContact O-N 3.04Å; N65-Q94 PolarHBondContact O-NE2 2.91Å
66	V	97.9	Very high	97.8	Very high	11 Å²	11	69.4 Å²	69.4	7%	0.067	35%	0.352	C	S	.	.	H	α-helix	trans	-66	-44.3	179.5	175.5	0	0	0	0	111.6	F62 L63 D69 A70 V87 A90 L91	F62-V66 HydrophobicContact CD2-CG2 4.32Å; F62-V66 HydrophobicContact CE1-CG2 4.22Å; F62-V66 HydrophobicContact CE2-CG2 3.76Å; F62-V66 HydrophobicContact CZ-CG2 3.73Å; F62-V66 WeakPolarHBondContact O-CG2 3.37Å; F62-V66 PolarHBondContact O-N 2.97Å; F62-V66 VanDerWaalsContact O-N 3.13Å; L63-V66 PolarHBondContact O-N 3.26Å; V66-D69 PolarHBondContact O-N 3.46Å; V66-A70 WeakPolarHBondContact O-CB 3.39Å; V66-A70 PolarHBondContact O-N 3.24Å; V66-V87 HydrophobicContact CG1-CG1 4.39Å; V66-A90 HydrophobicContact CG1-CB 4.32Å; V66-L91 HydrophobicContact CG1-CD2 4.07Å; V66-L91 HydrophobicContact CG1-CG 4.26Å; V66-L91 HydrophobicContact CG2-CD2 3.82Å
67	I	97.9	Very high	97.8	Very high	96 Å²	96	71.1 Å²	71.1	49%	0.492	37%	0.369	S	S	.	.	H	α-helix	trans	-68.3	-37.8	-178.1	-66.4	168.7	0	0	0	110.7	L63 D69 A70 V71	L63-I67 HydrophobicContact CB-CD1 4.21Å; L63-I67 VanDerWaalsContact O-CB 3.24Å; L63-I67 WeakPolarHBondContact O-CB 3.5Å; L63-I67 WeakPolarHBondContact O-CG1 3.37Å; L63-I67 PolarHBondContact O-N 3.15Å; I67-D69 VanDerWaalsContact C-N 3.34Å; I67-D69 PolarHBondContact O-N 2.67Å; I67-A70 PolarHBondContact O-N 2.78Å; I67-V71 HydrophobicContact CG2-CG2 4.02Å; I67-V71 WeakPolarHBondContact O-CB 3.48Å; I67-V71 VanDerWaalsContact O-CG2 3.27Å; I67-V71 WeakPolarHBondContact O-CG2 3.47Å; I67-V71 PolarHBondContact O-N 2.84Å
68	R	98.1	Very high	97.8	Very high	135 Å²	135	79 Å²	79	51%	0.509	39%	0.393	S	S	.	.	H	α-helix	trans	-55.3	-51.1	175.6	-173.3	-177.7	-57.7	112.6	2	110.9	E64 N65 V71 T72	E64-R68 WeakPolarHBondContact O-CB 3.32Å; E64-R68 PolarHBondContact O-N 2.91Å; N65-R68 PolarHBondContact OD1-NH1 3.24Å; R68-V71 PolarHBondContact O-N 3.44Å; R68-T72 PolarHBondContact O-N 2.87Å; R68-T72 VanDerWaalsContact O-N 3.08Å; R68-T72 PolarHBondContact O-OG1 3.35Å
69	D	97.6	Very high	97.8	Very high	23 Å²	23	79 Å²	79	12%	0.123	38%	0.383	C	S	.	.	H	α-helix	trans	-65.5	-42.2	179	-71.1	-9.7	0	0	0	112	N65 V66 I67 V71 T72 Y73 A90 R93 Q94	N65-D69 PolarHBondContact O-N 3.04Å; V66-D69 PolarHBondContact O-N 3.46Å; I67-D69 VanDerWaalsContact C-N 3.34Å; I67-D69 PolarHBondContact O-N 2.67Å; D69-V71 VanDerWaalsContact C-N 3.35Å; D69-V71 PolarHBondContact O-N 3.43Å; D69-T72 WeakPolarHBondContact O-CB 3.47Å; D69-T72 PolarHBondContact O-N 3.44Å; D69-Y73 WeakPolarHBondContact O-CD2 3.43Å; D69-Y73 PolarHBondContact O-N 3.3Å; D69-Y73 VanDerWaalsContact O-N 3.1Å; D69-A90 HydrophobicContact CB-CB 3.72Å; D69-R93 IonicContact OD1-NH1 2.73Å; D69-R93 PolarHBondContact OD1-NH1 2.79Å; D69-R93 IonicContact OD2-CZ 3.44Å; D69-R93 IonicContact OD2-NH1 3.55Å; D69-R93 PolarHBondContact OD2-NH1 2.78Å; D69-Q94 PolarHBondContact OD2-NE2 2.73Å; D69-Q94 VanDerWaalsContact OD2-NE2 3.16Å
70	A	98.2	Very high	97.8	Very high	3 Å²	3	86.5 Å²	86.5	3%	0.025	41%	0.413	C	S	.	.	H	α-helix	trans	-63.8	-38.1	178.6	0	0	0	0	0	112.7	V66 I67 Y73 T74 V82 D86 V87 A90	V66-A70 WeakPolarHBondContact O-CB 3.39Å; V66-A70 PolarHBondContact O-N 3.24Å; I67-A70 PolarHBondContact O-N 2.78Å; A70-Y73 PolarHBondContact O-N 2.97Å; A70-T74 PolarHBondContact O-N 2.9Å; A70-T74 VanDerWaalsContact O-N 3.08Å; A70-T74 PolarHBondContact O-OG1 2.8Å; A70-V82 HydrophobicContact CB-CG1 4.4Å; A70-D86 HydrophobicContact CB-CB 4.4Å; A70-V87 HydrophobicContact CB-CG2 4.31Å; A70-A90 HydrophobicContact CB-CB 4.16Å
71	V	98.4	Very high	97.8	Very high	51 Å²	51	85.9 Å²	85.9	31%	0.309	42%	0.419	S	S	.	.	H	α-helix	trans	-66.4	-40.6	174.2	171.3	0	0	0	0	110.3	I67 R68 D69 Y73 T74 E75	I67-V71 HydrophobicContact CG2-CG2 4.02Å; I67-V71 WeakPolarHBondContact O-CB 3.48Å; I67-V71 VanDerWaalsContact O-CG2 3.27Å; I67-V71 WeakPolarHBondContact O-CG2 3.47Å; I67-V71 PolarHBondContact O-N 2.84Å; R68-V71 PolarHBondContact O-N 3.44Å; D69-V71 VanDerWaalsContact C-N 3.35Å; D69-V71 PolarHBondContact O-N 3.43Å; V71-Y73 VanDerWaalsContact C-N 3.34Å; V71-Y73 PolarHBondContact O-N 3.19Å; V71-T74 WeakPolarHBondContact O-CB 3.39Å; V71-T74 PolarHBondContact O-N 3.16Å; V71-T74 VanDerWaalsContact O-N 3.1Å; V71-E75 HydrophobicContact CG1-CG 4.15Å; V71-E75 WeakPolarHBondContact O-CG 3.44Å; V71-E75 PolarHBondContact O-N 3.05Å
72	T	97.9	Very high	97.8	Very high	80 Å²	80	85.6 Å²	85.6	49%	0.491	42%	0.417	S	S	.	.	H	α-helix	trans	-57.1	-44.4	174.6	-57.3	0	0	0	0	112.3	R68 D69 T74 E75 H76	R68-T72 PolarHBondContact O-N 2.87Å; R68-T72 VanDerWaalsContact O-N 3.08Å; R68-T72 PolarHBondContact O-OG1 3.35Å; D69-T72 WeakPolarHBondContact O-CB 3.47Å; D69-T72 PolarHBondContact O-N 3.44Å; T72-T74 PolarHBondContact O-N 3.44Å; T72-E75 PolarHBondContact O-N 2.87Å; T72-H76 WeakPolarHBondContact O-CB 3.42Å; T72-H76 PolarHBondContact O-N 2.81Å
73	Y	97.6	Very high	97.8	Very high	78 Å²	78	85.3 Å²	85.3	31%	0.306	42%	0.421	S	S	.	.	H	α-helix	trans	-63.8	-40.6	175	-69.2	-57	0	0	0	112.8	D69 A70 V71 H76 A77 A90	D69-Y73 WeakPolarHBondContact O-CD2 3.43Å; D69-Y73 PolarHBondContact O-N 3.3Å; D69-Y73 VanDerWaalsContact O-N 3.1Å; A70-Y73 PolarHBondContact O-N 2.97Å; V71-Y73 VanDerWaalsContact C-N 3.34Å; V71-Y73 PolarHBondContact O-N 3.19Å; Y73-H76 PolarHBondContact O-N 2.8Å; Y73-A77 WeakPolarHBondContact O-CB 3.18Å; Y73-A77 PolarHBondContact O-N 3.38Å; Y73-A77 VanDerWaalsContact O-N 3.12Å; Y73-A90 HydrophobicContact CE2-CB 4.29Å
74	T	98.4	Very high	97.7	Very high	6 Å²	6	84.4 Å²	84.4	4%	0.037	42%	0.424	C	S	.	.	H	α-helix	trans	-62.1	-45.9	178.9	-57.6	0	0	0	0	111.4	A70 V71 T72 A77 K78 R79 T81 V82 D86	A70-T74 PolarHBondContact O-N 2.9Å; A70-T74 VanDerWaalsContact O-N 3.08Å; A70-T74 PolarHBondContact O-OG1 2.8Å; V71-T74 WeakPolarHBondContact O-CB 3.39Å; V71-T74 PolarHBondContact O-N 3.16Å; V71-T74 VanDerWaalsContact O-N 3.1Å; T72-T74 PolarHBondContact O-N 3.44Å; T74-A77 PolarHBondContact O-N 3.36Å; T74-K78 PolarHBondContact O-N 3.42Å; T74-R79 HydrophobicContact CG2-CB 4Å; T74-R79 PolarHBondContact O-N 3.36Å; T74-T81 WeakPolarHBondContact CG2-O 3.38Å; T74-V82 HydrophobicContact CG2-CG2 4.3Å; T74-D86 PolarHBondContact OG1-OD2 2.96Å
75	E	98.2	Very high	97.7	Very high	133 Å²	133	83.3 Å²	83.3	62%	0.621	42%	0.42	S	S	*	.	H	α-helix	trans	-68.7	-41.7	179.2	-71.3	179	163.5	0	0	112	V71 T72 A77 K78	V71-E75 HydrophobicContact CG1-CG 4.15Å; V71-E75 WeakPolarHBondContact O-CG 3.44Å; V71-E75 PolarHBondContact O-N 3.05Å; T72-E75 PolarHBondContact O-N 2.87Å; E75-A77 PolarHBondContact O-N 2.97Å; E75-K78 WeakPolarHBondContact O-CA 3.42Å; E75-K78 PolarHBondContact O-N 3.18Å
76	H	97.4	Very high	97.7	Very high	168 Å²	168	80.6 Å²	80.6	78%	0.778	41%	0.406	S	S	*	.	H	α-helix	trans	-58	-37.3	175.4	-175.9	71	0	0	0	111.8	T72 Y73 K78	T72-H76 WeakPolarHBondContact O-CB 3.42Å; T72-H76 PolarHBondContact O-N 2.81Å; Y73-H76 PolarHBondContact O-N 2.8Å; H76-K78 PolarHBondContact O-N 2.9Å
77	A	97.1	Very high	97.6	Very high	48 Å²	48	82.6 Å²	82.6	40%	0.397	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	7.8	175.2	0	0	0	0	0	114.3	Y73 T74 E75 R79	Y73-A77 WeakPolarHBondContact O-CB 3.18Å; Y73-A77 PolarHBondContact O-N 3.38Å; Y73-A77 VanDerWaalsContact O-N 3.12Å; T74-A77 PolarHBondContact O-N 3.36Å; E75-A77 PolarHBondContact O-N 2.97Å; A77-R79 HydrophobicContact CB-CG 4.43Å; A77-R79 VanDerWaalsContact CB-NH2 3.31Å; A77-R79 PolarHBondContact O-N 2.96Å
78	K	97.8	Very high	97.6	Very high	202 Å²	202	79 Å²	79	88%	0.878	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	29	-178.1	-56.3	178.8	-178.1	176.7	0	113.7	T74 E75 H76	T74-K78 PolarHBondContact O-N 3.42Å; E75-K78 WeakPolarHBondContact O-CA 3.42Å; E75-K78 PolarHBondContact O-N 3.18Å; H76-K78 PolarHBondContact O-N 2.9Å
79	R	98.2	Very high	97.5	Very high	89 Å²	89	78 Å²	78	34%	0.336	40%	0.397	S	S	.	.			trans	-98.8	157.2	177.8	-72.1	179.7	-76.7	105.1	-6.1	110.6	T74 A77 T81 D86	T74-R79 HydrophobicContact CG2-CB 4Å; T74-R79 PolarHBondContact O-N 3.36Å; A77-R79 HydrophobicContact CB-CG 4.43Å; A77-R79 VanDerWaalsContact CB-NH2 3.31Å; A77-R79 PolarHBondContact O-N 2.96Å; R79-T81 PolarHBondContact NH1-O 3.17Å; R79-T81 VanDerWaalsContact NH1-O 3.17Å; R79-D86 IonicContact CZ-OD1 2.8Å; R79-D86 IonicContact CZ-OD2 3.67Å; R79-D86 IonicContact NH1-OD1 2.9Å; R79-D86 IonicContact NH1-OD2 3.58Å; R79-D86 PolarHBondContact NH1-OD2 3.38Å; R79-D86 IonicContact NH2-OD1 3.95Å; R79-D86 PolarHBondContact NH2-OD1 3.47Å; R79-D86 IonicContact NH2-OD2 2.8Å; R79-D86 PolarHBondContact NH2-OD2 3.1Å
80	K	97.6	Very high	97.5	Very high	214 Å²	214	77 Å²	77	93%	0.93	39%	0.392	S	S	*	.	S	Bend	trans	-107.1	-0.9	170.6	-65.8	-176.9	179.3	177.4	0	113
81	T	97.7	Very high	97.4	Very high	103 Å²	103	77.9 Å²	77.9	63%	0.632	40%	0.396	S	S	*	.	S	Bend	trans	-120.9	118	-176.1	-56.3	0	0	0	0	108.4	T74 R79	T74-T81 WeakPolarHBondContact CG2-O 3.38Å; R79-T81 PolarHBondContact NH1-O 3.17Å; R79-T81 VanDerWaalsContact NH1-O 3.17Å
82	V	97.9	Very high	97.3	Very high	72 Å²	72	81.9 Å²	81.9	44%	0.436	41%	0.409	S	S	.	.			trans	-67.3	128.7	172.1	-177.8	0	0	0	0	108.3	A70 T74 D86 V87	A70-V82 HydrophobicContact CB-CG1 4.4Å; T74-V82 HydrophobicContact CG2-CG2 4.3Å; V82-D86 HydrophobicContact CG1-CB 4.17Å; V82-V87 HydrophobicContact CG1-CG2 4.18Å
83	T	97	Very high	97.2	Very high	55 Å²	55	85.9 Å²	85.9	34%	0.337	42%	0.415	S	S	.	.			trans	-99.7	165	177.7	66.9	0	0	0	0	110.8	M85 D86	T83-M85 PolarHBondContact O-N 2.88Å; T83-D86 WeakPolarHBondContact CB-OD2 3.19Å; T83-D86 PolarHBondContact N-OD2 3.43Å; T83-D86 PolarHBondContact O-N 3.08Å; T83-D86 PolarHBondContact OG1-N 3.1Å; T83-D86 PolarHBondContact OG1-OD2 3.39Å
84	A	96.2	Very high	97	Very high	58 Å²	58	85 Å²	85	48%	0.479	41%	0.414	S	S	.	.	H	α-helix	trans	-58	-37.3	173.1	0	0	0	0	0	111.8	D86 V87 V88	A84-D86 PolarHBondContact O-N 3.5Å; A84-V87 PolarHBondContact O-N 3.12Å; A84-V88 WeakPolarHBondContact O-CG2 3.18Å; A84-V88 PolarHBondContact O-N 3.28Å
85	M	96.6	Very high	96.8	Very high	62 Å²	62	88 Å²	88	31%	0.305	45%	0.446	S	S	.	.	H	α-helix	trans	-66.1	-35.5	-179.9	-66.8	-52.4	-62	0	0	112.9	T83 V87 V88 Y89	T83-M85 PolarHBondContact O-N 2.88Å; M85-V87 PolarHBondContact O-N 3.49Å; M85-V88 PolarHBondContact O-N 3.05Å; M85-Y89 HydrophobicContact CB-CE2 4.12Å; M85-Y89 HydrophobicContact CE-CD1 4.46Å; M85-Y89 HydrophobicContact CE-CE1 3.6Å; M85-Y89 HydrophobicContact CE-CE2 4.22Å; M85-Y89 VanDerWaalsContact CE-CZ 3.46Å; M85-Y89 VanDerWaalsContact CE-OH 3.32Å; M85-Y89 WeakPolarHBondContact CE-OH 3.36Å; M85-Y89 WeakPolarHBondContact O-CB 3.27Å; M85-Y89 WeakPolarHBondContact O-CD2 3.24Å; M85-Y89 PolarHBondContact O-N 3.45Å
86	D	97.2	Very high	96.7	Very high	5 Å²	5	88.5 Å²	88.5	3%	0.027	44%	0.442	C	S	.	.	H	α-helix	trans	-60.6	-37.8	175.7	-58	-50.5	0	0	0	111	A70 T74 R79 V82 T83 A84 A90	A70-D86 HydrophobicContact CB-CB 4.4Å; T74-D86 PolarHBondContact OG1-OD2 2.96Å; R79-D86 IonicContact CZ-OD1 2.8Å; R79-D86 IonicContact CZ-OD2 3.67Å; R79-D86 IonicContact NH1-OD1 2.9Å; R79-D86 IonicContact NH1-OD2 3.58Å; R79-D86 PolarHBondContact NH1-OD2 3.38Å; R79-D86 IonicContact NH2-OD1 3.95Å; R79-D86 PolarHBondContact NH2-OD1 3.47Å; R79-D86 IonicContact NH2-OD2 2.8Å; R79-D86 PolarHBondContact NH2-OD2 3.1Å; V82-D86 HydrophobicContact CG1-CB 4.17Å; T83-D86 WeakPolarHBondContact CB-OD2 3.19Å; T83-D86 PolarHBondContact N-OD2 3.43Å; T83-D86 PolarHBondContact O-N 3.08Å; T83-D86 PolarHBondContact OG1-N 3.1Å; T83-D86 PolarHBondContact OG1-OD2 3.39Å; A84-D86 PolarHBondContact O-N 3.5Å; D86-A90 WeakPolarHBondContact O-CB 2.94Å; D86-A90 PolarHBondContact O-N 3.06Å
87	V	97.4	Very high	96.5	Very high	53 Å²	53	84.2 Å²	84.2	32%	0.321	43%	0.428	S	S	.	.	H	α-helix	trans	-72.6	-43.3	176.4	-178.1	0	0	0	0	111.5	V66 A70 V82 A84 M85 Y89 A90 L91	V66-V87 HydrophobicContact CG1-CG1 4.39Å; A70-V87 HydrophobicContact CB-CG2 4.31Å; V82-V87 HydrophobicContact CG1-CG2 4.18Å; A84-V87 PolarHBondContact O-N 3.12Å; M85-V87 PolarHBondContact O-N 3.49Å; V87-Y89 VanDerWaalsContact C-N 3.3Å; V87-Y89 PolarHBondContact O-N 3.4Å; V87-A90 PolarHBondContact O-N 3.19Å; V87-L91 HydrophobicContact CG1-CD1 4.02Å; V87-L91 HydrophobicContact CG1-CG 4.37Å; V87-L91 WeakPolarHBondContact O-CB 3.49Å; V87-L91 WeakPolarHBondContact O-CG 3.49Å; V87-L91 PolarHBondContact O-N 2.87Å
88	V	97.1	Very high	96.4	Very high	20 Å²	20	85.5 Å²	85.5	12%	0.121	43%	0.427	C	S	.	.	H	α-helix	trans	-59.2	-43	176.7	171.6	0	0	0	0	110.7	A84 M85 L91 K92 F101	A84-V88 WeakPolarHBondContact O-CG2 3.18Å; A84-V88 PolarHBondContact O-N 3.28Å; M85-V88 PolarHBondContact O-N 3.05Å; V88-L91 PolarHBondContact O-N 3.08Å; V88-K92 WeakPolarHBondContact O-CB 3.34Å; V88-K92 PolarHBondContact O-N 3.04Å; V88-F101 HydrophobicContact CG2-CB 3.78Å
89	Y	95.9	Very high	96.2	Very high	116 Å²	116	85 Å²	85	46%	0.455	42%	0.421	S	S	.	.	H	α-helix	trans	-68.1	-41.5	177.1	-63.1	-30	0	0	0	112.7	M85 V87 L91 K92 R93	M85-Y89 HydrophobicContact CB-CE2 4.12Å; M85-Y89 HydrophobicContact CE-CD1 4.46Å; M85-Y89 HydrophobicContact CE-CE1 3.6Å; M85-Y89 HydrophobicContact CE-CE2 4.22Å; M85-Y89 VanDerWaalsContact CE-CZ 3.46Å; M85-Y89 VanDerWaalsContact CE-OH 3.32Å; M85-Y89 WeakPolarHBondContact CE-OH 3.36Å; M85-Y89 WeakPolarHBondContact O-CB 3.27Å; M85-Y89 WeakPolarHBondContact O-CD2 3.24Å; M85-Y89 PolarHBondContact O-N 3.45Å; V87-Y89 VanDerWaalsContact C-N 3.3Å; V87-Y89 PolarHBondContact O-N 3.4Å; Y89-L91 VanDerWaalsContact C-N 3.34Å; Y89-L91 PolarHBondContact O-N 3.31Å; Y89-K92 PolarHBondContact O-N 2.88Å; Y89-R93 PolarHBondContact O-N 3.41Å
90	A	97.3	Very high	95.9	Very high	0 Å²	0	84.4 Å²	84.4	0%	0	44%	0.443	C	S	.	.	H	α-helix	trans	-59	-45.1	174.7	0	0	0	0	0	112	V66 D69 A70 Y73 D86 V87 R93 Q94	V66-A90 HydrophobicContact CG1-CB 4.32Å; D69-A90 HydrophobicContact CB-CB 3.72Å; A70-A90 HydrophobicContact CB-CB 4.16Å; Y73-A90 HydrophobicContact CE2-CB 4.29Å; D86-A90 WeakPolarHBondContact O-CB 2.94Å; D86-A90 PolarHBondContact O-N 3.06Å; V87-A90 PolarHBondContact O-N 3.19Å; A90-R93 PolarHBondContact O-N 2.75Å; A90-Q94 WeakPolarHBondContact O-CG 3.4Å; A90-Q94 PolarHBondContact O-N 2.9Å
91	L	97.1	Very high	95.6	Very high	22 Å²	22	80 Å²	80	12%	0.115	42%	0.424	C	S	.	.	H	α-helix	trans	-65.9	-41.9	177.2	-72.6	173.5	0	0	0	112.1	F62 V66 V87 V88 Y89 R93 Q94 G95 R96 L98	F62-L91 HydrophobicContact CZ-CD2 4.05Å; V66-L91 HydrophobicContact CG1-CD2 4.07Å; V66-L91 HydrophobicContact CG1-CG 4.26Å; V66-L91 HydrophobicContact CG2-CD2 3.82Å; V87-L91 HydrophobicContact CG1-CD1 4.02Å; V87-L91 HydrophobicContact CG1-CG 4.37Å; V87-L91 WeakPolarHBondContact O-CB 3.49Å; V87-L91 WeakPolarHBondContact O-CG 3.49Å; V87-L91 PolarHBondContact O-N 2.87Å; V88-L91 PolarHBondContact O-N 3.08Å; Y89-L91 VanDerWaalsContact C-N 3.34Å; Y89-L91 PolarHBondContact O-N 3.31Å; L91-R93 VanDerWaalsContact C-N 3.33Å; L91-R93 PolarHBondContact O-N 2.77Å; L91-Q94 CarbonylContact O-C 3.59Å; L91-Q94 PolarHBondContact O-N 3.16Å; L91-Q94 VanDerWaalsContact O-N 3.15Å; L91-G95 PolarHBondContact O-N 3.04Å; L91-R96 CarbonylContact C-O 3.44Å; L91-R96 WeakPolarHBondContact CB-O 3.43Å; L91-R96 HydrophobicContact CD2-CB 4.45Å; L91-R96 CarbonylContact O-C 3.57Å; L91-R96 WeakPolarHBondContact O-CA 3.41Å; L91-R96 PolarHBondContact O-N 2.89Å; L91-L98 HydrophobicContact CD1-CB 4.19Å; L91-L98 HydrophobicContact CD1-CD2 3.91Å
92	K	95.7	Very high	94.6	Very high	135 Å²	135	77.8 Å²	77.8	59%	0.587	42%	0.422	S	S	*	.	H	α-helix	trans	-60.3	-41.9	175.6	-172.8	177	-179.3	179.5	0	111.8	V88 Y89 Q94 G95	V88-K92 WeakPolarHBondContact O-CB 3.34Å; V88-K92 PolarHBondContact O-N 3.04Å; Y89-K92 PolarHBondContact O-N 2.88Å; K92-Q94 PolarHBondContact O-N 3.23Å; K92-G95 PolarHBondContact O-N 2.77Å
93	R	95.4	Very high	92.7	Very high	164 Å²	164	81.8 Å²	81.8	62%	0.619	48%	0.477	S	S	*	.	H	α-helix	trans	-59.8	-33.2	175.9	-178.1	178.9	176.6	-108	4.1	112.7	D69 Y89 A90 L91 G95	D69-R93 IonicContact OD1-NH1 2.73Å; D69-R93 PolarHBondContact OD1-NH1 2.79Å; D69-R93 IonicContact OD2-CZ 3.44Å; D69-R93 IonicContact OD2-NH1 3.55Å; D69-R93 PolarHBondContact OD2-NH1 2.78Å; Y89-R93 PolarHBondContact O-N 3.41Å; A90-R93 PolarHBondContact O-N 2.75Å; L91-R93 VanDerWaalsContact C-N 3.33Å; L91-R93 PolarHBondContact O-N 2.77Å; R93-G95 VanDerWaalsContact C-N 3.27Å; R93-G95 PolarHBondContact O-N 3.2Å
94	Q	93.3	Very high	92.5	Very high	60 Å²	60	83.1 Å²	83.1	28%	0.28	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	10.6	177.3	-62.9	178.1	12.7	0	0	113.4	N65 D69 A90 L91 K92 R96	N65-Q94 PolarHBondContact O-NE2 2.91Å; D69-Q94 PolarHBondContact OD2-NE2 2.73Å; D69-Q94 VanDerWaalsContact OD2-NE2 3.16Å; A90-Q94 WeakPolarHBondContact O-CG 3.4Å; A90-Q94 PolarHBondContact O-N 2.9Å; L91-Q94 CarbonylContact O-C 3.59Å; L91-Q94 PolarHBondContact O-N 3.16Å; L91-Q94 VanDerWaalsContact O-N 3.15Å; K92-Q94 PolarHBondContact O-N 3.23Å; Q94-R96 VanDerWaalsContact C-N 3.33Å; Q94-R96 PolarHBondContact O-N 3.3Å
95	G	95.3	Very high	92.3	Very high	68 Å²	68	84.4 Å²	84.4	70%	0.701	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	18.8	-179.3	0	0	0	0	0	114.4	L91 K92 R93	L91-G95 PolarHBondContact O-N 3.04Å; K92-G95 PolarHBondContact O-N 2.77Å; R93-G95 VanDerWaalsContact C-N 3.27Å; R93-G95 PolarHBondContact O-N 3.2Å
96	R	95.4	Very high	92.1	Very high	145 Å²	145	85.7 Å²	85.7	55%	0.547	49%	0.494	S	S	.	.			trans	-116.9	64.6	-177.5	-61.6	-175.8	-177.8	-151.2	0.2	111.4	L91 Q94 L98	L91-R96 CarbonylContact C-O 3.44Å; L91-R96 WeakPolarHBondContact CB-O 3.43Å; L91-R96 HydrophobicContact CD2-CB 4.45Å; L91-R96 CarbonylContact O-C 3.57Å; L91-R96 WeakPolarHBondContact O-CA 3.41Å; L91-R96 PolarHBondContact O-N 2.89Å; Q94-R96 VanDerWaalsContact C-N 3.33Å; Q94-R96 PolarHBondContact O-N 3.3Å; R96-L98 PolarHBondContact O-N 3.4Å
97	T	93.6	Very high	91.8	Very high	78 Å²	78	90.4 Å²	90.4	48%	0.479	52%	0.522	S	S	.	.			trans	-59.1	129.7	-178.5	-57.3	0	0	0	0	111.9	Y99	T97-Y99 HydrophobicContact CG2-CE1 4.24Å; T97-Y99 HydrophobicContact CG2-CE2 4.34Å
98	L	94.7	Very high	91.4	Very high	74 Å²	74	92.8 Å²	92.8	39%	0.387	53%	0.534	S	S	.	.			trans	-114.9	128.2	179.7	-175.6	66.4	0	0	0	110.3	L91 R96 F101	L91-L98 HydrophobicContact CD1-CB 4.19Å; L91-L98 HydrophobicContact CD1-CD2 3.91Å; R96-L98 PolarHBondContact O-N 3.4Å; L98-F101 HydrophobicContact CD1-CD2 4.44Å; L98-F101 HydrophobicContact CD1-CE2 4.25Å; L98-F101 HydrophobicContact CD2-CD2 3.61Å; L98-F101 HydrophobicContact CD2-CE2 3.78Å; L98-F101 HydrophobicContact CD2-CG 4.31Å; L98-F101 HydrophobicContact CG-CD2 3.73Å; L98-F101 HydrophobicContact CG-CE2 3.99Å
99	Y	93.6	Very high	91.1	Very high	192 Å²	192	97.6 Å²	97.6	75%	0.753	56%	0.562	S	S	*	*			trans	-100.1	156.5	178.6	-59.8	-78	0	0	0	111.7	T97 F101	T97-Y99 HydrophobicContact CG2-CE1 4.24Å; T97-Y99 HydrophobicContact CG2-CE2 4.34Å; Y99-F101 WeakPolarHBondContact O-CD2 3.45Å
100	G	92.9	Very high	90.7	Very high	77 Å²	77	96.3 Å²	96.3	79%	0.794	57%	0.569	S	S	*	*	S	Bend	trans	88.5	11.4	174.7	0	0	0	0	0	115.6
101	F	89.9	Confident	90.2	Very high	122 Å²	122	103.7 Å²	103.7	54%	0.535	61%	0.613	S	S	.	*			trans	-127.4	11	-178.6	-66.5	-90.7	0	0	0	113.5	V88 L98 Y99	V88-F101 HydrophobicContact CG2-CB 3.78Å; L98-F101 HydrophobicContact CD1-CD2 4.44Å; L98-F101 HydrophobicContact CD1-CE2 4.25Å; L98-F101 HydrophobicContact CD2-CD2 3.61Å; L98-F101 HydrophobicContact CD2-CE2 3.78Å; L98-F101 HydrophobicContact CD2-CG 4.31Å; L98-F101 HydrophobicContact CG-CD2 3.73Å; L98-F101 HydrophobicContact CG-CE2 3.99Å; Y99-F101 WeakPolarHBondContact O-CD2 3.45Å
102	G	77.4	Confident	89.6	Confident	56 Å²	56	110.5 Å²	110.5	58%	0.577	66%	0.655	S	S	*	*			trans	-111.9	126.1	171.2	0	0	0	0	0	109.3
103	G	58.7	Low	89.1	Confident	155 Å²	155	108.3 Å²	108.3	100%	1.598	66%	0.661	S	S	*	*			trans	-90.3	0	169	0	0	0	0	0	111.3

Retrieved 103 of 103 residues in 209.1 ms (Link to these results)

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