A0A077ZHQ7_TRITR Loading...

Histone H2B

AlphaFold DB , UniProt , Accession A0A077ZHQ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 124 aa.

						>A0A077ZHQ7_TRITR|A0A077ZHQ7
MPAKASLKTVEKAGTSGKASRSLRHKRKSRTRTEPYTRYVHKILKEVHPSLSITSEAMSDMNSILYDALDRISNEASRLVRHRKGRLTDHQDVEAVARSVLPRELRNDAIREGKRAVAKYNKAK
					

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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	42.1	Very low	47.6	Very low	240 Å²	240	151.4 Å²	151.4	100%	1.182	85%	0.848	S	S	*	*				0	129.1	0	-59.4	-61.9	178.2	0	0	106.8
2	P	58	Low	47	Very low	133 Å²	133	156.1 Å²	156.1	86%	0.864	85%	0.853	S	S	*	*			cis	-123	165.6	25.3	35.5	-18.3	0	0	0	115.8
3	A	51.9	Low	46.3	Very low	90 Å²	90	152.4 Å²	152.4	74%	0.744	86%	0.856	S	S	*	*			trans	-103.8	164.3	179.7	0	0	0	0	0	112.5
4	K	51.6	Low	45.8	Very low	206 Å²	206	146.3 Å²	146.3	90%	0.896	84%	0.844	S	S	*	*			trans	173.9	104.6	140.3	-94.3	164.9	-173.9	-172.5	0	109.5
5	A	49.1	Very low	45.6	Very low	94 Å²	94	145.2 Å²	145.2	78%	0.777	84%	0.841	S	S	*	*				79.4	101.5	91.9	0	0	0	0	0	112.9
6	S	51.5	Low	45	Very low	110 Å²	110	143.2 Å²	143.2	77%	0.769	84%	0.838	S	S	*	*				84.9	116.9	71.3	-93.1	0	0	0	0	117
7	L	49.4	Very low	44.7	Very low	154 Å²	154	139.2 Å²	139.2	81%	0.806	83%	0.834	S	S	*	*			trans	72.6	122.6	133.4	-63.7	161.2	0	0	0	121.6
8	K	42.6	Very low	44	Very low	186 Å²	186	143.7 Å²	143.7	81%	0.809	84%	0.841	S	S	*	*				162.1	111.8	114.9	-92.6	177.3	178.3	179.1	0	111.5
9	T	41.5	Very low	44	Very low	120 Å²	120	139.8 Å²	139.8	74%	0.736	83%	0.827	S	S	*	*				55	130	106.4	62.2	0	0	0	0	114
10	V	49.7	Very low	43.6	Very low	139 Å²	139	138.8 Å²	138.8	84%	0.842	83%	0.827	S	S	*	*				-161.3	132.8	77.2	-148.2	0	0	0	0	112.2
11	E	36.3	Very low	43.7	Very low	193 Å²	193	141.9 Å²	141.9	90%	0.902	82%	0.824	S	S	*	*			trans	-78.3	139.1	157.4	-94.5	-172.7	101.6	0	0	110.3
12	K	40.9	Very low	43.5	Very low	208 Å²	208	135.5 Å²	135.5	90%	0.904	80%	0.804	S	S	*	*			trans	-151.4	118.5	155.2	-128.3	-179.5	-175.5	-179.7	0	111.7
13	A	37.7	Very low	43.1	Very low	108 Å²	108	136.6 Å²	136.6	89%	0.893	80%	0.801	S	S	*	*			trans	-60.2	153.5	173.5	0	0	0	0	0	113.4
14	G	38.6	Very low	42.7	Very low	67 Å²	67	142.3 Å²	142.3	69%	0.691	80%	0.804	S	S	*	*			trans	179	111.5	165.3	0	0	0	0	0	114.5
15	T	42.7	Very low	42.4	Very low	130 Å²	130	141.5 Å²	141.5	80%	0.798	80%	0.803	S	S	*	*			trans	69.1	94	139.7	-62.2	0	0	0	0	117
16	S	36.5	Very low	42.4	Very low	113 Å²	113	145.5 Å²	145.5	79%	0.79	80%	0.802	S	S	*	*				59.3	117.9	90.5	72.5	0	0	0	0	114.8
17	G	39.1	Very low	42.6	Very low	75 Å²	75	151.7 Å²	151.7	77%	0.773	81%	0.809	S	S	*	*			trans	173	65.7	176.7	0	0	0	0	0	115.3	A19	G17-A19 PolarHBondContact O-N 3.28Å
18	K	33.6	Very low	42.9	Very low	221 Å²	221	153.2 Å²	153.2	96%	0.961	81%	0.809	S	S	*	*			trans	-53.3	115.1	158.3	-81.5	172.6	173.6	170	0	109
19	A	42.6	Very low	43.5	Very low	69 Å²	69	149.2 Å²	149.2	57%	0.57	80%	0.804	S	S	*	*			trans	-143.9	73.4	164.5	0	0	0	0	0	110.5	G17 R21	G17-A19 PolarHBondContact O-N 3.28Å; A19-R21 PolarHBondContact O-N 3.34Å; A19-R21 VanDerWaalsContact O-N 3.1Å
20	S	37.2	Very low	44.3	Very low	120 Å²	120	154.8 Å²	154.8	84%	0.839	81%	0.812	S	S	*	*			trans	-47.4	108.1	140.1	163.1	0	0	0	0	108.2
21	R	45.8	Very low	44.8	Very low	203 Å²	203	153.8 Å²	153.8	77%	0.766	81%	0.806	S	S	*	*			trans	-137.4	90.6	165	-94.5	-172.7	-124.7	164.6	2	108.8	A19 L23	A19-R21 PolarHBondContact O-N 3.34Å; A19-R21 VanDerWaalsContact O-N 3.1Å; R21-L23 PolarHBondContact O-N 3.34Å
22	S	36.6	Very low	46	Very low	107 Å²	107	156 Å²	156	75%	0.748	81%	0.807	S	S	*	*			trans	-14	94.9	136.8	49	0	0	0	0	113.7
23	L	49.7	Very low	47.2	Very low	155 Å²	155	151 Å²	151	81%	0.812	79%	0.793	S	S	*	*			trans	-115.3	73.4	160	-71.4	175.9	0	0	0	108.3	R21	R21-L23 PolarHBondContact O-N 3.34Å
24	R	44.2	Very low	49	Very low	210 Å²	210	148.5 Å²	148.5	79%	0.792	76%	0.763	S	S	*	*				54.1	106.3	115.5	-162.5	168.8	-176.2	-114.7	2.2	113.1	K26	R24-K26 PolarHBondContact O-N 3.28Å
25	H	44.8	Very low	51.1	Low	189 Å²	189	148.5 Å²	148.5	88%	0.875	75%	0.751	S	S	*	*			trans	-39.1	78.9	154.7	-68.2	23.1	0	0	0	111.8	R27	H25-R27 VanDerWaalsContact C-N 3.29Å; H25-R27 PolarHBondContact O-N 2.93Å
26	K	50.3	Low	53.4	Low	178 Å²	178	145.8 Å²	145.8	77%	0.774	73%	0.727	S	S	*	*			trans	-83.5	92.2	161	-162.9	168.9	-174.8	178.6	0	102.6	R24 K28	R24-K26 PolarHBondContact O-N 3.28Å; K26-K28 PolarHBondContact O-N 3.34Å
27	R	55.4	Low	56.1	Low	240 Å²	240	142.1 Å²	142.1	91%	0.906	70%	0.7	S	S	*	*			trans	-50.2	92.4	160.9	-68.5	174.1	100.5	171.8	5.4	104.5	H25 S29	H25-R27 VanDerWaalsContact C-N 3.29Å; H25-R27 PolarHBondContact O-N 2.93Å; R27-S29 VanDerWaalsContact C-N 3.29Å; R27-S29 PolarHBondContact O-N 3.15Å
28	K	54.7	Low	58.6	Low	187 Å²	187	147.5 Å²	147.5	81%	0.813	70%	0.697	S	S	*	*			trans	-62.6	104.4	179.3	-152.5	175.1	-175.1	-177.8	0	101.7	K26 R30	K26-K28 PolarHBondContact O-N 3.34Å; K28-R30 PolarHBondContact O-N 3.43Å
29	S	56	Low	61.5	Low	101 Å²	101	143.2 Å²	143.2	71%	0.706	68%	0.675	S	S	*	*			trans	-35.4	117.2	173.2	171.9	0	0	0	0	105.9	R27 T31	R27-S29 VanDerWaalsContact C-N 3.29Å; R27-S29 PolarHBondContact O-N 3.15Å; S29-T31 PolarHBondContact O-N 2.95Å
30	R	58.3	Low	64	Low	237 Å²	237	140.7 Å²	140.7	89%	0.894	65%	0.653	S	S	*	*			trans	-61.6	93.1	178.4	-85.4	-179.4	171.9	132.9	-3.7	104.5	K28 R32	K28-R30 PolarHBondContact O-N 3.43Å; R30-R32 PolarHBondContact O-N 3.14Å
31	T	59.5	Low	66.7	Low	118 Å²	118	139.2 Å²	139.2	72%	0.724	63%	0.633	S	S	*	*			trans	-46.6	121.4	167.9	-2.7	0	0	0	0	104.5	S29 T33	S29-T31 PolarHBondContact O-N 2.95Å; T31-T33 VanDerWaalsContact C-N 3.28Å; T31-T33 PolarHBondContact O-N 2.89Å; T31-T33 PolarHBondContact O-OG1 2.73Å
32	R	62.9	Low	69.1	Low	241 Å²	241	135.6 Å²	135.6	91%	0.909	62%	0.622	S	S	*	*			trans	-50.4	99.4	-174	-173.7	175.5	111.6	-173.8	4.4	107	R30 E34	R30-R32 PolarHBondContact O-N 3.14Å; R32-E34 PolarHBondContact O-N 3.45Å
33	T	66	Low	71.9	Confident	102 Å²	102	135.2 Å²	135.2	63%	0.626	61%	0.611	S	S	*	*			trans	-70.3	129.1	-179.8	-50.7	0	0	0	0	104.8	T31 T37	T31-T33 VanDerWaalsContact C-N 3.28Å; T31-T33 PolarHBondContact O-N 2.89Å; T31-T33 PolarHBondContact O-OG1 2.73Å; T33-T37 HydrophobicContact CG2-CG2 4.31Å
34	E	74.7	Confident	74.2	Confident	55 Å²	55	129.6 Å²	129.6	26%	0.257	58%	0.582	S	S	.	*			trans	-53.7	138.2	173.7	-66.2	-178.4	137.6	0	0	108.9	R32 Y36 T37 S59 N62	R32-E34 PolarHBondContact O-N 3.45Å; E34-Y36 PolarHBondContact O-N 3.01Å; E34-Y36 VanDerWaalsContact O-N 3.11Å; E34-T37 WeakPolarHBondContact CB-OG1 3.34Å; E34-T37 PolarHBondContact O-N 2.69Å; E34-T37 PolarHBondContact O-OG1 2.98Å; E34-S59 PolarHBondContact OE1-OG 2.7Å; E34-S59 WeakPolarHBondContact OE2-CA 3.08Å; E34-N62 HydrophobicContact CB-CB 4.44Å; E34-N62 WeakPolarHBondContact CB-ND2 3.26Å; E34-N62 WeakPolarHBondContact CG-ND2 3.46Å; E34-N62 PolarHBondContact OE1-ND2 3.43Å; E34-N62 WeakPolarHBondContact OE2-CB 3.27Å
35	P	82.7	Confident	76.7	Confident	68 Å²	68	123.1 Å²	123.1	44%	0.442	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.7	-29.5	-165.2	24.1	-32.9	0	0	0	112.3	Y66	P35-Y66 WeakPolarHBondContact CD-OH 3.17Å; P35-Y66 WeakPolarHBondContact CG-OH 3.47Å
36	Y	91.6	Very high	79.2	Confident	72 Å²	72	120.2 Å²	120.2	28%	0.282	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-9.8	-175.4	-59.5	-61.6	0	0	0	115	E34 R38 Y39 V40 N62 L65 Y66	E34-Y36 PolarHBondContact O-N 3.01Å; E34-Y36 VanDerWaalsContact O-N 3.11Å; Y36-R38 VanDerWaalsContact C-N 3.28Å; Y36-R38 PolarHBondContact O-N 2.85Å; Y36-R38 VanDerWaalsContact O-N 3.14Å; Y36-Y39 HydrophobicContact CD1-CD2 4.4Å; Y36-Y39 PolarHBondContact O-N 2.67Å; Y36-V40 WeakPolarHBondContact O-CG2 3.36Å; Y36-V40 PolarHBondContact O-N 2.77Å; Y36-N62 VanDerWaalsContact CD2-OD1 3.27Å; Y36-N62 WeakPolarHBondContact CD2-OD1 3.48Å; Y36-L65 VanDerWaalsContact CB-CD1 3.43Å; Y36-L65 HydrophobicContact CD1-CD1 4.3Å; Y36-L65 HydrophobicContact CD2-CB 3.97Å; Y36-L65 HydrophobicContact CD2-CD1 3.91Å; Y36-L65 HydrophobicContact CE2-CB 4.28Å; Y36-L65 HydrophobicContact CG-CB 4.49Å; Y36-L65 HydrophobicContact CG-CD1 3.63Å; Y36-Y66 HydrophobicContact CE2-CD1 4.2Å; Y36-Y66 AromaticContact CE2-CE1 3.84Å; Y36-Y66 HydrophobicContact CE2-CE1 3.84Å
37	T	92.3	Very high	81.4	Confident	36 Å²	36	116.2 Å²	116.2	22%	0.221	54%	0.536	C	S	.	.	H	α-helix	trans	-50.9	-46	-175.2	-56.8	0	0	0	0	112.7	T33 E34 Y39 H41 M58	T33-T37 HydrophobicContact CG2-CG2 4.31Å; E34-T37 WeakPolarHBondContact CB-OG1 3.34Å; E34-T37 PolarHBondContact O-N 2.69Å; E34-T37 PolarHBondContact O-OG1 2.98Å; T37-Y39 VanDerWaalsContact C-N 3.34Å; T37-Y39 PolarHBondContact O-N 3.19Å; T37-H41 WeakPolarHBondContact O-CB 3.45Å; T37-H41 PolarHBondContact O-N 3.08Å; T37-M58 HydrophobicContact CG2-CE 3.91Å; T37-M58 HydrophobicContact CG2-CG 3.9Å; T37-M58 HydrophobicContact CG2-SD 4Å
38	R	92.8	Very high	83.4	Confident	189 Å²	189	109.4 Å²	109.4	71%	0.713	51%	0.514	S	S	*	.	H	α-helix	trans	-64.3	-39	-179.3	-175.9	176.6	-176.2	-103.9	1.3	112.2	Y36 K42	Y36-R38 VanDerWaalsContact C-N 3.28Å; Y36-R38 PolarHBondContact O-N 2.85Å; Y36-R38 VanDerWaalsContact O-N 3.14Å; R38-K42 WeakPolarHBondContact O-CB 3.3Å; R38-K42 PolarHBondContact O-N 2.88Å; R38-K42 VanDerWaalsContact O-N 3.1Å
39	Y	94	Very high	85.4	Confident	131 Å²	131	105 Å²	105	51%	0.514	51%	0.505	S	S	.	.	H	α-helix	trans	-77.1	-42.1	-176.4	-57.5	-78.8	0	0	0	111.4	Y36 T37 H41 K42 I43	Y36-Y39 HydrophobicContact CD1-CD2 4.4Å; Y36-Y39 PolarHBondContact O-N 2.67Å; T37-Y39 VanDerWaalsContact C-N 3.34Å; T37-Y39 PolarHBondContact O-N 3.19Å; Y39-H41 VanDerWaalsContact C-N 3.33Å; Y39-H41 PolarHBondContact O-N 3.19Å; Y39-K42 WeakPolarHBondContact O-CB 3.48Å; Y39-K42 PolarHBondContact O-N 2.96Å; Y39-K42 VanDerWaalsContact O-N 3.17Å; Y39-I43 WeakPolarHBondContact O-CG1 3.35Å; Y39-I43 PolarHBondContact O-N 2.64Å
40	V	95.1	Very high	87.4	Confident	16 Å²	16	105.7 Å²	105.7	10%	0.097	51%	0.51	C	S	.	.	H	α-helix	trans	-59.3	-46.1	174.1	175.8	0	0	0	0	110.2	Y36 K42 I43 L44 M58 M61 L65	Y36-V40 WeakPolarHBondContact O-CG2 3.36Å; Y36-V40 PolarHBondContact O-N 2.77Å; V40-K42 VanDerWaalsContact C-N 3.33Å; V40-K42 PolarHBondContact O-N 3.1Å; V40-I43 PolarHBondContact O-N 2.96Å; V40-L44 WeakPolarHBondContact O-CB 3.16Å; V40-L44 PolarHBondContact O-N 3.27Å; V40-M58 HydrophobicContact CB-SD 3.86Å; V40-M58 HydrophobicContact CG1-CE 4.41Å; V40-M58 HydrophobicContact CG1-SD 3.81Å; V40-M61 HydrophobicContact CG1-CB 4.25Å; V40-M61 HydrophobicContact CG1-CE 4.29Å; V40-M61 HydrophobicContact CG1-CG 4.33Å; V40-L65 HydrophobicContact CG2-CD1 3.72Å
41	H	94.6	Very high	89.2	Confident	89 Å²	89	98.6 Å²	98.6	41%	0.412	49%	0.489	S	S	.	.	H	α-helix	trans	-61.9	-40.1	176.1	-176.5	-96.5	0	0	0	112.5	T37 Y39 L44 K45 M58	T37-H41 WeakPolarHBondContact O-CB 3.45Å; T37-H41 PolarHBondContact O-N 3.08Å; Y39-H41 VanDerWaalsContact C-N 3.33Å; Y39-H41 PolarHBondContact O-N 3.19Å; H41-L44 PolarHBondContact O-N 2.84Å; H41-K45 WeakPolarHBondContact O-CG 3.42Å; H41-K45 PolarHBondContact O-N 3.45Å; H41-K45 VanDerWaalsContact O-N 3.09Å; H41-M58 HydrophobicContact CB-CE 4.41Å
42	K	95.6	Very high	90.9	Very high	126 Å²	126	98.1 Å²	98.1	55%	0.548	49%	0.491	S	S	.	.	H	α-helix	trans	-61	-50	176.8	-175.9	-177.4	172.6	-169.8	0	111.3	R38 Y39 V40 L44 K45 E46	R38-K42 WeakPolarHBondContact O-CB 3.3Å; R38-K42 PolarHBondContact O-N 2.88Å; R38-K42 VanDerWaalsContact O-N 3.1Å; Y39-K42 WeakPolarHBondContact O-CB 3.48Å; Y39-K42 PolarHBondContact O-N 2.96Å; Y39-K42 VanDerWaalsContact O-N 3.17Å; V40-K42 VanDerWaalsContact C-N 3.33Å; V40-K42 PolarHBondContact O-N 3.1Å; K42-L44 VanDerWaalsContact C-N 3.35Å; K42-L44 PolarHBondContact O-N 3.41Å; K42-K45 PolarHBondContact O-N 3.01Å; K42-E46 WeakPolarHBondContact CE-OE1 3.49Å; K42-E46 IonicContact NZ-OE1 3.92Å; K42-E46 WeakPolarHBondContact O-CG 3.44Å; K42-E46 PolarHBondContact O-N 2.86Å; K42-E46 VanDerWaalsContact O-N 3.09Å
43	I	95.6	Very high	92.4	Very high	100 Å²	100	89.1 Å²	89.1	51%	0.513	46%	0.46	S	S	.	.	H	α-helix	trans	-63.4	-42	179.5	-65.5	166.5	0	0	0	110.5	Y39 V40 K45 E46 V47	Y39-I43 WeakPolarHBondContact O-CG1 3.35Å; Y39-I43 PolarHBondContact O-N 2.64Å; V40-I43 PolarHBondContact O-N 2.96Å; I43-K45 VanDerWaalsContact C-N 3.28Å; I43-K45 PolarHBondContact O-N 3.44Å; I43-E46 PolarHBondContact O-N 3.44Å; I43-E46 VanDerWaalsContact O-N 3.1Å; I43-V47 HydrophobicContact CG2-CG2 4.36Å; I43-V47 WeakPolarHBondContact O-CG2 3.38Å; I43-V47 PolarHBondContact O-N 3.26Å
44	L	96.9	Very high	93.8	Very high	37 Å²	37	88.6 Å²	88.6	19%	0.194	46%	0.457	C	S	.	.	H	α-helix	trans	-56.5	-43.1	176.5	178	64	0	0	0	111.6	V40 H41 K42 E46 V47 H48 L51 I53	V40-L44 WeakPolarHBondContact O-CB 3.16Å; V40-L44 PolarHBondContact O-N 3.27Å; H41-L44 PolarHBondContact O-N 2.84Å; K42-L44 VanDerWaalsContact C-N 3.35Å; K42-L44 PolarHBondContact O-N 3.41Å; L44-E46 VanDerWaalsContact C-N 3.34Å; L44-V47 PolarHBondContact O-N 3.46Å; L44-H48 HydrophobicContact CD1-CB 4.43Å; L44-H48 CarbonylContact O-C 3.38Å; L44-H48 WeakPolarHBondContact O-CA 3.31Å; L44-H48 PolarHBondContact O-N 2.84Å; L44-L51 HydrophobicContact CD1-CB 4.44Å; L44-I53 HydrophobicContact CD2-CB 3.89Å; L44-I53 HydrophobicContact CD2-CG2 3.85Å
45	K	97.1	Very high	94.6	Very high	73 Å²	73	91.1 Å²	91.1	32%	0.317	48%	0.481	S	S	.	.	H	α-helix	trans	-72.5	-26.6	178.7	-67.9	-52.9	-168.1	179.5	0	113.7	H41 K42 I43 P49 L51	H41-K45 WeakPolarHBondContact O-CG 3.42Å; H41-K45 PolarHBondContact O-N 3.45Å; H41-K45 VanDerWaalsContact O-N 3.09Å; K42-K45 PolarHBondContact O-N 3.01Å; I43-K45 VanDerWaalsContact C-N 3.28Å; I43-K45 PolarHBondContact O-N 3.44Å; K45-P49 PolarHBondContact NZ-O 3.21Å; K45-L51 PolarHBondContact NZ-O 3.35Å
46	E	96.6	Very high	95.2	Very high	129 Å²	129	94.9 Å²	94.9	60%	0.603	49%	0.492	S	S	*	.	H	α-helix	trans	-71.2	-36.9	173	-72.4	173.4	179.1	0	0	111.9	K42 I43 L44	K42-E46 WeakPolarHBondContact CE-OE1 3.49Å; K42-E46 IonicContact NZ-OE1 3.92Å; K42-E46 WeakPolarHBondContact O-CG 3.44Å; K42-E46 PolarHBondContact O-N 2.86Å; K42-E46 VanDerWaalsContact O-N 3.09Å; I43-E46 PolarHBondContact O-N 3.44Å; I43-E46 VanDerWaalsContact O-N 3.1Å; L44-E46 VanDerWaalsContact C-N 3.34Å
47	V	97.3	Very high	95.4	Very high	94 Å²	94	93 Å²	93	57%	0.57	49%	0.492	S	S	*	.	H	α-helix	trans	-89.9	-40.5	-178.2	-174.9	0	0	0	0	112.6	I43 L44	I43-V47 HydrophobicContact CG2-CG2 4.36Å; I43-V47 WeakPolarHBondContact O-CG2 3.38Å; I43-V47 PolarHBondContact O-N 3.26Å; L44-V47 PolarHBondContact O-N 3.46Å
48	H	97.2	Very high	95.5	Very high	96 Å²	96	92.2 Å²	92.2	44%	0.444	49%	0.486	S	S	.	.			trans	-138.4	83.6	-176.1	-64.1	-62.5	0	0	0	112.1	L44 S50 L51	L44-H48 HydrophobicContact CD1-CB 4.43Å; L44-H48 CarbonylContact O-C 3.38Å; L44-H48 WeakPolarHBondContact O-CA 3.31Å; L44-H48 PolarHBondContact O-N 2.84Å; H48-S50 VanDerWaalsContact C-N 3.28Å; H48-S50 PolarHBondContact O-N 3.4Å; H48-S50 VanDerWaalsContact O-N 3.15Å; H48-L51 HydrophobicContact CB-CB 4.03Å; H48-L51 HydrophobicContact CB-CD1 3.65Å; H48-L51 HydrophobicContact CB-CG 3.86Å; H48-L51 PolarHBondContact O-N 3.13Å; H48-L51 VanDerWaalsContact O-N 3.15Å
49	P	97.1	Very high	95.5	Very high	96 Å²	96	85.5 Å²	85.5	62%	0.623	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-34.7	-173.5	-27.2	34.6	0	0	0	115.1	K45	K45-P49 PolarHBondContact NZ-O 3.21Å
50	S	97.1	Very high	95.5	Very high	114 Å²	114	83.8 Å²	83.8	80%	0.797	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-16.2	-177.2	55.8	0	0	0	0	114.5	H48	H48-S50 VanDerWaalsContact C-N 3.28Å; H48-S50 PolarHBondContact O-N 3.4Å; H48-S50 VanDerWaalsContact O-N 3.15Å
51	L	96.6	Very high	95.6	Very high	89 Å²	89	86.4 Å²	86.4	47%	0.466	48%	0.479	S	S	.	.			trans	-87.4	153.9	-175.5	-63.5	-176.2	0	0	0	112.2	L44 K45 H48	L44-L51 HydrophobicContact CD1-CB 4.44Å; K45-L51 PolarHBondContact NZ-O 3.35Å; H48-L51 HydrophobicContact CB-CB 4.03Å; H48-L51 HydrophobicContact CB-CD1 3.65Å; H48-L51 HydrophobicContact CB-CG 3.86Å; H48-L51 PolarHBondContact O-N 3.13Å; H48-L51 VanDerWaalsContact O-N 3.15Å
52	S	94.5	Very high	95.5	Very high	108 Å²	108	82.7 Å²	82.7	76%	0.755	46%	0.462	S	S	*	.			trans	-130	162.8	170.6	67.1	0	0	0	0	109.4
53	I	95.3	Very high	95.4	Very high	52 Å²	52	79.8 Å²	79.8	27%	0.267	46%	0.458	S	S	.	.			trans	-122.8	138.7	-177.4	-174.1	170.3	0	0	0	109	L44 A57 M58 M61	L44-I53 HydrophobicContact CD2-CB 3.89Å; L44-I53 HydrophobicContact CD2-CG2 3.85Å; I53-A57 HydrophobicContact CD1-CB 4.08Å; I53-A57 HydrophobicContact CG1-CB 3.7Å; I53-M58 HydrophobicContact CG2-CE 3.36Å; I53-M61 HydrophobicContact CD1-CG 3.93Å
54	T	95.6	Very high	95.4	Very high	90 Å²	90	79.9 Å²	79.9	55%	0.552	46%	0.459	S	S	*	.			trans	-72.5	161.9	177.8	64.8	0	0	0	0	110.6	E56 A57 M58	T54-E56 VanDerWaalsContact C-N 3.28Å; T54-E56 PolarHBondContact O-N 2.78Å; T54-A57 WeakPolarHBondContact OG1-CB 3.22Å; T54-A57 PolarHBondContact OG1-N 3.17Å; T54-M58 WeakPolarHBondContact O-CB 3.37Å; T54-M58 PolarHBondContact O-N 3.22Å
55	S	91.9	Very high	95.3	Very high	109 Å²	109	81.1 Å²	81.1	76%	0.762	47%	0.465	S	S	*	.	H	α-helix	trans	-64.8	-33.5	177	52.6	0	0	0	0	112.8	M58 S59	S55-M58 PolarHBondContact O-N 2.93Å; S55-S59 PolarHBondContact O-N 3.05Å
56	E	93.6	Very high	95.2	Very high	147 Å²	147	82.4 Å²	82.4	69%	0.687	47%	0.469	S	S	*	.	H	α-helix	trans	-65.9	-53.6	176.5	-174.7	174.3	-165.6	0	0	110.7	T54 M58 S59 D60	T54-E56 VanDerWaalsContact C-N 3.28Å; T54-E56 PolarHBondContact O-N 2.78Å; E56-M58 PolarHBondContact O-N 3.38Å; E56-S59 WeakPolarHBondContact O-CB 3.39Å; E56-S59 PolarHBondContact O-N 3.06Å; E56-D60 PolarHBondContact O-N 2.96Å; E56-D60 VanDerWaalsContact O-N 3.11Å
57	A	96	Very high	95.1	Very high	33 Å²	33	79.8 Å²	79.8	27%	0.273	46%	0.459	S	S	.	.	H	α-helix	trans	-61.5	-29.6	176.8	0	0	0	0	0	112.6	I53 T54 S59 D60 M61	I53-A57 HydrophobicContact CD1-CB 4.08Å; I53-A57 HydrophobicContact CG1-CB 3.7Å; T54-A57 WeakPolarHBondContact OG1-CB 3.22Å; T54-A57 PolarHBondContact OG1-N 3.17Å; A57-S59 VanDerWaalsContact C-N 3.35Å; A57-D60 PolarHBondContact O-N 3.32Å; A57-M61 VanDerWaalsContact O-CG 3.26Å; A57-M61 WeakPolarHBondContact O-CG 3.31Å; A57-M61 PolarHBondContact O-N 3.09Å
58	M	94.4	Very high	94.9	Very high	19 Å²	19	77.4 Å²	77.4	9%	0.094	45%	0.449	C	S	.	.	H	α-helix	trans	-64.5	-38.7	173	-172.7	67.4	76.3	0	0	112.3	T37 V40 H41 I53 T54 S55 E56 M61 N62	T37-M58 HydrophobicContact CG2-CE 3.91Å; T37-M58 HydrophobicContact CG2-CG 3.9Å; T37-M58 HydrophobicContact CG2-SD 4Å; V40-M58 HydrophobicContact CB-SD 3.86Å; V40-M58 HydrophobicContact CG1-CE 4.41Å; V40-M58 HydrophobicContact CG1-SD 3.81Å; H41-M58 HydrophobicContact CB-CE 4.41Å; I53-M58 HydrophobicContact CG2-CE 3.36Å; T54-M58 WeakPolarHBondContact O-CB 3.37Å; T54-M58 PolarHBondContact O-N 3.22Å; S55-M58 PolarHBondContact O-N 2.93Å; E56-M58 PolarHBondContact O-N 3.38Å; M58-M61 PolarHBondContact O-N 3.25Å; M58-N62 PolarHBondContact O-N 3.17Å
59	S	93	Very high	94.8	Very high	47 Å²	47	76.4 Å²	76.4	33%	0.329	45%	0.446	S	S	.	.	H	α-helix	trans	-70.6	-35.7	177.3	-160.6	0	0	0	0	111.8	E34 S55 E56 A57 N62 S63	E34-S59 PolarHBondContact OE1-OG 2.7Å; E34-S59 WeakPolarHBondContact OE2-CA 3.08Å; S55-S59 PolarHBondContact O-N 3.05Å; E56-S59 WeakPolarHBondContact O-CB 3.39Å; E56-S59 PolarHBondContact O-N 3.06Å; A57-S59 VanDerWaalsContact C-N 3.35Å; S59-N62 WeakPolarHBondContact O-CB 3.41Å; S59-N62 PolarHBondContact O-N 3.2Å; S59-S63 PolarHBondContact O-N 3.22Å; S59-S63 PolarHBondContact O-OG 3Å
60	D	95.1	Very high	94.7	Very high	96 Å²	96	76.3 Å²	76.3	51%	0.513	44%	0.441	S	S	.	.	H	α-helix	trans	-62.2	-45.3	171.2	-64.5	-24.9	0	0	0	111.2	E56 A57 N62 S63 I64	E56-D60 PolarHBondContact O-N 2.96Å; E56-D60 VanDerWaalsContact O-N 3.11Å; A57-D60 PolarHBondContact O-N 3.32Å; D60-N62 VanDerWaalsContact C-N 3.3Å; D60-N62 PolarHBondContact O-N 3.33Å; D60-S63 WeakPolarHBondContact O-CB 3.4Å; D60-S63 PolarHBondContact O-N 2.96Å; D60-S63 VanDerWaalsContact O-N 3.12Å; D60-I64 WeakPolarHBondContact O-CG1 3.45Å; D60-I64 PolarHBondContact O-N 2.91Å
61	M	95.7	Very high	94.7	Very high	71 Å²	71	77.6 Å²	77.6	35%	0.35	43%	0.428	S	S	.	.	H	α-helix	trans	-60	-40.6	175.6	-73.6	-61.8	-61.8	0	0	112.2	V40 I53 A57 M58 S63 I64 L65	V40-M61 HydrophobicContact CG1-CB 4.25Å; V40-M61 HydrophobicContact CG1-CE 4.29Å; V40-M61 HydrophobicContact CG1-CG 4.33Å; I53-M61 HydrophobicContact CD1-CG 3.93Å; A57-M61 VanDerWaalsContact O-CG 3.26Å; A57-M61 WeakPolarHBondContact O-CG 3.31Å; A57-M61 PolarHBondContact O-N 3.09Å; M58-M61 PolarHBondContact O-N 3.25Å; M61-S63 VanDerWaalsContact C-N 3.32Å; M61-I64 PolarHBondContact O-N 3.45Å; M61-I64 HydrophobicContact SD-CD1 4.22Å; M61-L65 WeakPolarHBondContact O-CG 3.29Å; M61-L65 PolarHBondContact O-N 2.99Å
62	N	93.1	Very high	94.6	Very high	10 Å²	10	76.1 Å²	76.1	5%	0.053	42%	0.42	C	S	.	.	H	α-helix	trans	-63	-40.7	175.9	-170.3	53.8	0	0	0	111.3	E34 Y36 M58 S59 D60 L65 Y66	E34-N62 HydrophobicContact CB-CB 4.44Å; E34-N62 WeakPolarHBondContact CB-ND2 3.26Å; E34-N62 WeakPolarHBondContact CG-ND2 3.46Å; E34-N62 PolarHBondContact OE1-ND2 3.43Å; E34-N62 WeakPolarHBondContact OE2-CB 3.27Å; Y36-N62 VanDerWaalsContact CD2-OD1 3.27Å; Y36-N62 WeakPolarHBondContact CD2-OD1 3.48Å; M58-N62 PolarHBondContact O-N 3.17Å; S59-N62 WeakPolarHBondContact O-CB 3.41Å; S59-N62 PolarHBondContact O-N 3.2Å; D60-N62 VanDerWaalsContact C-N 3.3Å; D60-N62 PolarHBondContact O-N 3.33Å; N62-L65 PolarHBondContact O-N 3.01Å; N62-Y66 VanDerWaalsContact ND2-CE2 3.29Å; N62-Y66 WeakPolarHBondContact ND2-CE2 3.47Å; N62-Y66 WeakPolarHBondContact O-CD2 3.48Å; N62-Y66 PolarHBondContact O-N 3.44Å
63	S	94.3	Very high	94.7	Very high	66 Å²	66	73.6 Å²	73.6	46%	0.462	40%	0.402	S	S	.	.	H	α-helix	trans	-64.5	-41.8	175.2	-58.5	0	0	0	0	112.4	S59 D60 M61 L65 Y66 D67	S59-S63 PolarHBondContact O-N 3.22Å; S59-S63 PolarHBondContact O-OG 3Å; D60-S63 WeakPolarHBondContact O-CB 3.4Å; D60-S63 PolarHBondContact O-N 2.96Å; D60-S63 VanDerWaalsContact O-N 3.12Å; M61-S63 VanDerWaalsContact C-N 3.32Å; S63-L65 VanDerWaalsContact C-N 3.31Å; S63-L65 PolarHBondContact O-N 3.34Å; S63-Y66 PolarHBondContact O-N 2.84Å; S63-D67 PolarHBondContact O-N 3.46Å
64	I	94.9	Very high	94.7	Very high	102 Å²	102	75 Å²	75	52%	0.523	41%	0.411	S	S	.	.	H	α-helix	trans	-59.8	-42.6	174.3	-68.3	165.6	0	0	0	110.8	D60 M61 Y66 D67 A68	D60-I64 WeakPolarHBondContact O-CG1 3.45Å; D60-I64 PolarHBondContact O-N 2.91Å; M61-I64 PolarHBondContact O-N 3.45Å; M61-I64 HydrophobicContact SD-CD1 4.22Å; I64-Y66 VanDerWaalsContact C-N 3.35Å; I64-D67 PolarHBondContact O-N 3.08Å; I64-A68 WeakPolarHBondContact O-CB 3.32Å; I64-A68 PolarHBondContact O-N 3.07Å
65	L	94.7	Very high	94.7	Very high	62 Å²	62	73 Å²	73	33%	0.325	40%	0.395	S	S	.	.	H	α-helix	trans	-65.7	-37.9	177.9	-71.5	171.8	0	0	0	112.1	Y36 V40 M61 N62 S63 L69	Y36-L65 VanDerWaalsContact CB-CD1 3.43Å; Y36-L65 HydrophobicContact CD1-CD1 4.3Å; Y36-L65 HydrophobicContact CD2-CB 3.97Å; Y36-L65 HydrophobicContact CD2-CD1 3.91Å; Y36-L65 HydrophobicContact CE2-CB 4.28Å; Y36-L65 HydrophobicContact CG-CB 4.49Å; Y36-L65 HydrophobicContact CG-CD1 3.63Å; V40-L65 HydrophobicContact CG2-CD1 3.72Å; M61-L65 WeakPolarHBondContact O-CG 3.29Å; M61-L65 PolarHBondContact O-N 2.99Å; N62-L65 PolarHBondContact O-N 3.01Å; S63-L65 VanDerWaalsContact C-N 3.31Å; S63-L65 PolarHBondContact O-N 3.34Å; L65-L69 WeakPolarHBondContact O-CB 3.35Å; L65-L69 PolarHBondContact O-N 3.12Å
66	Y	94.4	Very high	94.9	Very high	101 Å²	101	68.6 Å²	68.6	40%	0.396	37%	0.365	S	S	.	.	H	α-helix	trans	-67.4	-43.6	175.1	-75.1	-53.5	0	0	0	112.8	P35 Y36 N62 S63 I64 A68 L69 D70	P35-Y66 WeakPolarHBondContact CD-OH 3.17Å; P35-Y66 WeakPolarHBondContact CG-OH 3.47Å; Y36-Y66 HydrophobicContact CE2-CD1 4.2Å; Y36-Y66 AromaticContact CE2-CE1 3.84Å; Y36-Y66 HydrophobicContact CE2-CE1 3.84Å; N62-Y66 VanDerWaalsContact ND2-CE2 3.29Å; N62-Y66 WeakPolarHBondContact ND2-CE2 3.47Å; N62-Y66 WeakPolarHBondContact O-CD2 3.48Å; N62-Y66 PolarHBondContact O-N 3.44Å; S63-Y66 PolarHBondContact O-N 2.84Å; I64-Y66 VanDerWaalsContact C-N 3.35Å; Y66-A68 VanDerWaalsContact C-N 3.33Å; Y66-A68 PolarHBondContact O-N 3.02Å; Y66-L69 PolarHBondContact O-N 3.24Å; Y66-D70 WeakPolarHBondContact O-CB 3.45Å; Y66-D70 PolarHBondContact O-N 2.97Å
67	D	95.1	Very high	94.9	Very high	74 Å²	74	64.2 Å²	64.2	40%	0.396	35%	0.351	S	S	.	.	H	α-helix	trans	-60.4	-44.4	175.5	176.6	39.7	0	0	0	111	S63 I64 L69 D70 R71	S63-D67 PolarHBondContact O-N 3.46Å; I64-D67 PolarHBondContact O-N 3.08Å; D67-L69 PolarHBondContact O-N 3.37Å; D67-D70 PolarHBondContact O-N 3.3Å; D67-R71 VanDerWaalsContact CG-NE 3.34Å; D67-R71 VanDerWaalsContact O-CG 3.26Å; D67-R71 WeakPolarHBondContact O-CG 3.34Å; D67-R71 PolarHBondContact O-N 3.49Å; D67-R71 IonicContact OD1-CZ 3.19Å; D67-R71 IonicContact OD1-NE 2.97Å; D67-R71 PolarHBondContact OD1-NE 2.64Å; D67-R71 IonicContact OD1-NH2 2.91Å; D67-R71 PolarHBondContact OD1-NH2 2.89Å; D67-R71 IonicContact OD2-CZ 2.68Å; D67-R71 IonicContact OD2-NE 3.35Å; D67-R71 PolarHBondContact OD2-NE 2.89Å; D67-R71 VanDerWaalsContact OD2-NE 3.16Å; D67-R71 IonicContact OD2-NH2 3.61Å; D67-R71 PolarHBondContact OD2-NH2 3.29Å
68	A	93.9	Very high	94.8	Very high	43 Å²	43	69.9 Å²	69.9	36%	0.355	37%	0.365	S	S	.	.	H	α-helix	trans	-60.9	-44.4	175.2	0	0	0	0	0	112.4	I64 Y66 R71 I72	I64-A68 WeakPolarHBondContact O-CB 3.32Å; I64-A68 PolarHBondContact O-N 3.07Å; Y66-A68 VanDerWaalsContact C-N 3.33Å; Y66-A68 PolarHBondContact O-N 3.02Å; A68-R71 PolarHBondContact O-N 3.34Å; A68-I72 VanDerWaalsContact O-CG1 3.32Å; A68-I72 WeakPolarHBondContact O-CG1 3.37Å; A68-I72 PolarHBondContact O-N 3.37Å; A68-I72 VanDerWaalsContact O-N 3.08Å
69	L	94.5	Very high	94.7	Very high	76 Å²	76	71.5 Å²	71.5	40%	0.398	37%	0.374	S	S	.	.	H	α-helix	trans	-65.1	-39.6	178.2	-179.2	62	0	0	0	112.1	L65 Y66 D67 I72 S73	L65-L69 WeakPolarHBondContact O-CB 3.35Å; L65-L69 PolarHBondContact O-N 3.12Å; Y66-L69 PolarHBondContact O-N 3.24Å; D67-L69 PolarHBondContact O-N 3.37Å; L69-I72 PolarHBondContact O-N 3.06Å; L69-S73 VanDerWaalsContact O-CB 3.31Å; L69-S73 WeakPolarHBondContact O-CB 3.43Å; L69-S73 PolarHBondContact O-N 3.5Å; L69-S73 PolarHBondContact O-OG 3.33Å
70	D	96	Very high	94.8	Very high	94 Å²	94	71.6 Å²	71.6	50%	0.503	37%	0.373	S	S	.	.	H	α-helix	trans	-67.7	-42.4	179.9	-159.5	46.7	0	0	0	110.8	Y66 D67 I72 S73 N74	Y66-D70 WeakPolarHBondContact O-CB 3.45Å; Y66-D70 PolarHBondContact O-N 2.97Å; D67-D70 PolarHBondContact O-N 3.3Å; D70-I72 VanDerWaalsContact C-N 3.35Å; D70-I72 PolarHBondContact O-N 2.95Å; D70-S73 PolarHBondContact O-N 3.32Å; D70-N74 VanDerWaalsContact O-CB 3.3Å; D70-N74 WeakPolarHBondContact O-CB 3.45Å; D70-N74 VanDerWaalsContact O-CG 3.25Å; D70-N74 PolarHBondContact O-N 2.96Å; D70-N74 PolarHBondContact O-ND2 3.14Å; D70-N74 PolarHBondContact OD2-ND2 3.11Å
71	R	96	Very high	94.7	Very high	140 Å²	140	76.5 Å²	76.5	53%	0.528	38%	0.384	S	S	.	.	H	α-helix	trans	-58.2	-45.3	172.4	-67.4	171.6	-169	-155.3	6.2	112.1	D67 A68 E75 V100	D67-R71 VanDerWaalsContact CG-NE 3.34Å; D67-R71 VanDerWaalsContact O-CG 3.26Å; D67-R71 WeakPolarHBondContact O-CG 3.34Å; D67-R71 PolarHBondContact O-N 3.49Å; D67-R71 IonicContact OD1-CZ 3.19Å; D67-R71 IonicContact OD1-NE 2.97Å; D67-R71 PolarHBondContact OD1-NE 2.64Å; D67-R71 IonicContact OD1-NH2 2.91Å; D67-R71 PolarHBondContact OD1-NH2 2.89Å; D67-R71 IonicContact OD2-CZ 2.68Å; D67-R71 IonicContact OD2-NE 3.35Å; D67-R71 PolarHBondContact OD2-NE 2.89Å; D67-R71 VanDerWaalsContact OD2-NE 3.16Å; D67-R71 IonicContact OD2-NH2 3.61Å; D67-R71 PolarHBondContact OD2-NH2 3.29Å; A68-R71 PolarHBondContact O-N 3.34Å; R71-E75 WeakPolarHBondContact O-CB 3.41Å; R71-E75 PolarHBondContact O-N 2.97Å; R71-E75 VanDerWaalsContact O-N 3.13Å; R71-V100 HydrophobicContact CB-CG1 3.66Å
72	I	95.4	Very high	94.5	Very high	59 Å²	59	80.7 Å²	80.7	30%	0.303	40%	0.402	S	S	.	.	H	α-helix	trans	-63.6	-44.8	176.8	-69.1	169.8	0	0	0	111.2	A68 L69 D70 E75 A76 V96 V100	A68-I72 VanDerWaalsContact O-CG1 3.32Å; A68-I72 WeakPolarHBondContact O-CG1 3.37Å; A68-I72 PolarHBondContact O-N 3.37Å; A68-I72 VanDerWaalsContact O-N 3.08Å; L69-I72 PolarHBondContact O-N 3.06Å; D70-I72 VanDerWaalsContact C-N 3.35Å; D70-I72 PolarHBondContact O-N 2.95Å; I72-E75 PolarHBondContact O-N 3.4Å; I72-A76 VanDerWaalsContact O-CB 3.22Å; I72-A76 WeakPolarHBondContact O-CB 3.48Å; I72-A76 PolarHBondContact O-N 3.37Å; I72-V96 HydrophobicContact CG2-CG1 3.92Å; I72-V96 WeakPolarHBondContact O-CG1 3.27Å; I72-V100 HydrophobicContact CG1-CB 4.42Å; I72-V100 HydrophobicContact CG1-CG1 4.11Å; I72-V100 HydrophobicContact CG1-CG2 4.47Å
73	S	95.3	Very high	94.2	Very high	55 Å²	55	86.4 Å²	86.4	39%	0.385	42%	0.423	S	S	.	.	H	α-helix	trans	-66	-41.7	-178.2	-61.2	0	0	0	0	112	L69 D70 A76 S77	L69-S73 VanDerWaalsContact O-CB 3.31Å; L69-S73 WeakPolarHBondContact O-CB 3.43Å; L69-S73 PolarHBondContact O-N 3.5Å; L69-S73 PolarHBondContact O-OG 3.33Å; D70-S73 PolarHBondContact O-N 3.32Å; S73-A76 PolarHBondContact O-N 3.14Å; S73-S77 WeakPolarHBondContact O-CB 3.47Å; S73-S77 PolarHBondContact O-N 3.22Å
74	N	96.4	Very high	93.9	Very high	82 Å²	82	92.9 Å²	92.9	44%	0.439	44%	0.443	S	S	.	.	H	α-helix	trans	-62.8	-44.3	176.4	-75.8	-41.8	0	0	0	111.6	D70 S77 R78	D70-N74 VanDerWaalsContact O-CB 3.3Å; D70-N74 WeakPolarHBondContact O-CB 3.45Å; D70-N74 VanDerWaalsContact O-CG 3.25Å; D70-N74 PolarHBondContact O-N 2.96Å; D70-N74 PolarHBondContact O-ND2 3.14Å; D70-N74 PolarHBondContact OD2-ND2 3.11Å; N74-S77 PolarHBondContact O-N 2.94Å; N74-R78 WeakPolarHBondContact O-CG 3.43Å; N74-R78 PolarHBondContact O-N 2.92Å
75	E	95.1	Very high	93.5	Very high	46 Å²	46	89.6 Å²	89.6	22%	0.215	43%	0.434	C	S	.	.	H	α-helix	trans	-71.4	-38.5	178.6	-171.1	67	-177.4	0	0	112.3	R71 I72 S77 R78 L79 V96 S99 V100	R71-E75 WeakPolarHBondContact O-CB 3.41Å; R71-E75 PolarHBondContact O-N 2.97Å; R71-E75 VanDerWaalsContact O-N 3.13Å; I72-E75 PolarHBondContact O-N 3.4Å; E75-S77 VanDerWaalsContact C-N 3.32Å; E75-S77 PolarHBondContact O-N 3.45Å; E75-R78 WeakPolarHBondContact O-CB 3.45Å; E75-R78 PolarHBondContact O-N 2.92Å; E75-R78 WeakPolarHBondContact OE2-CD 3.26Å; E75-R78 IonicContact OE2-NH1 3.33Å; E75-R78 PolarHBondContact OE2-NH1 3.43Å; E75-L79 PolarHBondContact O-N 2.93Å; E75-V96 HydrophobicContact CB-CG1 4.02Å; E75-V96 HydrophobicContact CG-CG1 4.18Å; E75-S99 WeakPolarHBondContact OE1-CB 3.5Å; E75-S99 PolarHBondContact OE1-OG 3.22Å; E75-V100 HydrophobicContact CB-CG2 3.5Å; E75-V100 HydrophobicContact CG-CG2 3.82Å
76	A	95.3	Very high	93.2	Very high	18 Å²	18	96.2 Å²	96.2	15%	0.149	45%	0.454	C	S	.	.	H	α-helix	trans	-58.2	-44.4	170.1	0	0	0	0	0	111.6	I72 S73 R78 L79 V80 L87 V96	I72-A76 VanDerWaalsContact O-CB 3.22Å; I72-A76 WeakPolarHBondContact O-CB 3.48Å; I72-A76 PolarHBondContact O-N 3.37Å; S73-A76 PolarHBondContact O-N 3.14Å; A76-R78 VanDerWaalsContact C-N 3.33Å; A76-R78 PolarHBondContact O-N 3.32Å; A76-L79 PolarHBondContact O-N 3.26Å; A76-V80 VanDerWaalsContact O-CG2 3.31Å; A76-V80 WeakPolarHBondContact O-CG2 3.32Å; A76-V80 PolarHBondContact O-N 3.5Å; A76-L87 HydrophobicContact CB-CD1 3.86Å; A76-V96 HydrophobicContact CB-CG1 4.15Å; A76-V96 HydrophobicContact CB-CG2 4.02Å
77	S	94.5	Very high	93	Very high	55 Å²	55	94.1 Å²	94.1	39%	0.385	45%	0.45	S	S	.	.	H	α-helix	trans	-62.9	-38.2	176.6	-178.6	0	0	0	0	112.1	S73 N74 E75 R81	S73-S77 WeakPolarHBondContact O-CB 3.47Å; S73-S77 PolarHBondContact O-N 3.22Å; N74-S77 PolarHBondContact O-N 2.94Å; E75-S77 VanDerWaalsContact C-N 3.32Å; E75-S77 PolarHBondContact O-N 3.45Å; S77-R81 WeakPolarHBondContact O-CG 3.45Å; S77-R81 PolarHBondContact O-N 3.42Å; S77-R81 VanDerWaalsContact O-N 3.15Å
78	R	93.9	Very high	92.7	Very high	151 Å²	151	95.3 Å²	95.3	57%	0.57	46%	0.46	S	S	*	.	H	α-helix	trans	-64	-44.8	173.7	-72.6	172.4	178	170.8	-2.1	111.1	N74 E75 A76 V80 R81 H82	N74-R78 WeakPolarHBondContact O-CG 3.43Å; N74-R78 PolarHBondContact O-N 2.92Å; E75-R78 WeakPolarHBondContact O-CB 3.45Å; E75-R78 PolarHBondContact O-N 2.92Å; E75-R78 WeakPolarHBondContact OE2-CD 3.26Å; E75-R78 IonicContact OE2-NH1 3.33Å; E75-R78 PolarHBondContact OE2-NH1 3.43Å; A76-R78 VanDerWaalsContact C-N 3.33Å; A76-R78 PolarHBondContact O-N 3.32Å; R78-V80 PolarHBondContact O-N 2.93Å; R78-R81 WeakPolarHBondContact O-CB 3.35Å; R78-R81 PolarHBondContact O-N 3.41Å; R78-H82 PolarHBondContact O-CD2 3.16Å; R78-H82 PolarHBondContact O-N 3.13Å
79	L	93.1	Very high	92.6	Very high	54 Å²	54	96.5 Å²	96.5	28%	0.283	46%	0.461	S	S	.	.	H	α-helix	trans	-60.7	-44.2	178.3	-174.9	62.1	0	0	0	112.2	E75 A76 R81 H82 R83 L87 V96	E75-L79 PolarHBondContact O-N 2.93Å; A76-L79 PolarHBondContact O-N 3.26Å; L79-R81 VanDerWaalsContact C-N 3.33Å; L79-R81 PolarHBondContact O-N 3.17Å; L79-H82 PolarHBondContact O-N 2.68Å; L79-R83 WeakPolarHBondContact O-CB 3.24Å; L79-R83 PolarHBondContact O-N 3.02Å; L79-L87 HydrophobicContact CB-CD2 4.42Å; L79-L87 HydrophobicContact CD2-CD2 3.92Å; L79-L87 HydrophobicContact CG-CD2 4.11Å; L79-V96 HydrophobicContact CB-CG2 4.4Å; L79-V96 HydrophobicContact CD2-CG2 3.67Å
80	V	94	Very high	92.5	Very high	49 Å²	49	96.9 Å²	96.9	30%	0.297	46%	0.46	S	S	.	.	H	α-helix	trans	-55.7	-47.1	173.8	165.8	0	0	0	0	111.1	A76 R78 R83 K84 G85 L87	A76-V80 VanDerWaalsContact O-CG2 3.31Å; A76-V80 WeakPolarHBondContact O-CG2 3.32Å; A76-V80 PolarHBondContact O-N 3.5Å; R78-V80 PolarHBondContact O-N 2.93Å; V80-R83 PolarHBondContact O-N 3.48Å; V80-K84 PolarHBondContact O-N 3.1Å; V80-K84 VanDerWaalsContact O-N 3.14Å; V80-G85 WeakPolarHBondContact CG1-O 3.37Å; V80-G85 PolarHBondContact O-N 3.48Å; V80-L87 HydrophobicContact CG2-CD1 4.37Å; V80-L87 HydrophobicContact CG2-CD2 3.53Å; V80-L87 HydrophobicContact CG2-CG 3.59Å
81	R	93	Very high	92.4	Very high	198 Å²	198	98.4 Å²	98.4	75%	0.747	46%	0.464	S	S	*	.	H	α-helix	trans	-63.1	-44	178.4	-73.9	175.6	169.7	-165.2	-2.8	112.1	S77 R78 L79 K84	S77-R81 WeakPolarHBondContact O-CG 3.45Å; S77-R81 PolarHBondContact O-N 3.42Å; S77-R81 VanDerWaalsContact O-N 3.15Å; R78-R81 WeakPolarHBondContact O-CB 3.35Å; R78-R81 PolarHBondContact O-N 3.41Å; L79-R81 VanDerWaalsContact C-N 3.33Å; L79-R81 PolarHBondContact O-N 3.17Å; R81-K84 PolarHBondContact O-N 3.37Å
82	H	90.9	Very high	92.3	Very high	159 Å²	159	93 Å²	93	74%	0.736	45%	0.446	S	S	*	.	H	α-helix	trans	-66.8	-40.1	178.3	-73.9	-58.2	0	0	0	112.7	R78 L79 K84	R78-H82 PolarHBondContact O-CD2 3.16Å; R78-H82 PolarHBondContact O-N 3.13Å; L79-H82 PolarHBondContact O-N 2.68Å; H82-K84 PolarHBondContact O-N 3.44Å
83	R	88.2	Confident	92.2	Very high	131 Å²	131	94.2 Å²	94.2	49%	0.494	46%	0.456	S	S	.	.	H	α-helix	trans	-72.5	-14	178.4	-165.3	-179.7	-178.2	-145.8	5.3	113	L79 V80 G85 R86 T88 D92	L79-R83 WeakPolarHBondContact O-CB 3.24Å; L79-R83 PolarHBondContact O-N 3.02Å; V80-R83 PolarHBondContact O-N 3.48Å; R83-G85 PolarHBondContact O-N 3.07Å; R83-R86 PolarHBondContact NH1-O 2.8Å; R83-T88 PolarHBondContact NH1-OG1 3.02Å; R83-D92 IonicContact NH1-OD2 3.88Å
84	K	86.7	Confident	92.1	Very high	202 Å²	202	93.4 Å²	93.4	88%	0.878	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	38.2	-169.2	-58	-179.8	178.9	178.8	0	111.9	V80 R81 H82	V80-K84 PolarHBondContact O-N 3.1Å; V80-K84 VanDerWaalsContact O-N 3.14Å; R81-K84 PolarHBondContact O-N 3.37Å; H82-K84 PolarHBondContact O-N 3.44Å
85	G	86.2	Confident	92	Very high	32 Å²	32	91.9 Å²	91.9	33%	0.33	44%	0.444	S	S	.	.	S	Bend	trans	-153	-156.8	-170.6	0	0	0	0	0	112.3	V80 R83	V80-G85 WeakPolarHBondContact CG1-O 3.37Å; V80-G85 PolarHBondContact O-N 3.48Å; R83-G85 PolarHBondContact O-N 3.07Å
86	R	90	Very high	92	Very high	201 Å²	201	89.9 Å²	89.9	76%	0.758	44%	0.435	S	S	*	.			trans	-114.3	162.8	174.5	-64	-177.5	-68.1	-179.9	-0.6	109.7	R83	R83-R86 PolarHBondContact NH1-O 2.8Å
87	L	90	Very high	92	Very high	57 Å²	57	90 Å²	90	30%	0.298	44%	0.437	S	S	.	.			trans	-77.2	124.8	164.6	-49.9	-171.3	0	0	0	107.3	A76 L79 V80 D92	A76-L87 HydrophobicContact CB-CD1 3.86Å; L79-L87 HydrophobicContact CB-CD2 4.42Å; L79-L87 HydrophobicContact CD2-CD2 3.92Å; L79-L87 HydrophobicContact CG-CD2 4.11Å; V80-L87 HydrophobicContact CG2-CD1 4.37Å; V80-L87 HydrophobicContact CG2-CD2 3.53Å; V80-L87 HydrophobicContact CG2-CG 3.59Å; L87-D92 WeakPolarHBondContact CA-OD2 3.28Å; L87-D92 HydrophobicContact CB-CB 3.99Å; L87-D92 HydrophobicContact CD2-CB 4.03Å; L87-D92 HydrophobicContact CG-CB 4.38Å
88	T	89.1	Confident	91.9	Very high	99 Å²	99	92.4 Å²	92.4	61%	0.607	44%	0.437	S	S	*	.			trans	-118.2	-29.6	-171	43	0	0	0	0	112.4	R83 D92	R83-T88 PolarHBondContact NH1-OG1 3.02Å; T88-D92 PolarHBondContact N-OD2 3.09Å
89	D	91.7	Very high	92	Very high	69 Å²	69	88.5 Å²	88.5	37%	0.369	43%	0.433	S	S	.	.	S	Bend	trans	-127.9	158.5	-173.2	-167	26.7	0	0	0	112.4	Q91 D92	D89-Q91 PolarHBondContact O-N 3.18Å; D89-Q91 VanDerWaalsContact O-N 3.17Å; D89-Q91 WeakPolarHBondContact OD2-CG 3.34Å; D89-D92 PolarHBondContact N-OD2 3.43Å; D89-D92 VanDerWaalsContact O-CB 3.27Å; D89-D92 WeakPolarHBondContact O-CB 3.41Å; D89-D92 PolarHBondContact O-N 3.11Å
90	H	92.1	Very high	92.1	Very high	84 Å²	84	87.6 Å²	87.6	39%	0.389	43%	0.43	S	S	.	.	H	α-helix	trans	-57.7	-27.7	176.1	67.4	-71.1	0	0	0	112.6	D92 V93 E94 V117	H90-D92 PolarHBondContact O-N 2.94Å; H90-V93 PolarHBondContact O-N 2.98Å; H90-E94 PolarHBondContact O-N 3.38Å; H90-V117 HydrophobicContact CB-CG2 4.11Å
91	Q	93.4	Very high	92.1	Very high	126 Å²	126	87.4 Å²	87.4	59%	0.589	43%	0.427	S	S	*	.	H	α-helix	trans	-60.3	-33.3	173.5	-65.3	-176.5	-30.6	0	0	112.7	D89 E94 A95	D89-Q91 PolarHBondContact O-N 3.18Å; D89-Q91 VanDerWaalsContact O-N 3.17Å; D89-Q91 WeakPolarHBondContact OD2-CG 3.34Å; Q91-E94 PolarHBondContact O-N 3.45Å; Q91-A95 PolarHBondContact O-N 3.29Å
92	D	93.2	Very high	92.2	Very high	26 Å²	26	81.2 Å²	81.2	14%	0.139	41%	0.412	C	S	.	.	H	α-helix	trans	-65.8	-43	176.9	-65.5	-42.4	0	0	0	110.6	R83 L87 T88 D89 H90 A95 V96	R83-D92 IonicContact NH1-OD2 3.88Å; L87-D92 WeakPolarHBondContact CA-OD2 3.28Å; L87-D92 HydrophobicContact CB-CB 3.99Å; L87-D92 HydrophobicContact CD2-CB 4.03Å; L87-D92 HydrophobicContact CG-CB 4.38Å; T88-D92 PolarHBondContact N-OD2 3.09Å; D89-D92 PolarHBondContact N-OD2 3.43Å; D89-D92 VanDerWaalsContact O-CB 3.27Å; D89-D92 WeakPolarHBondContact O-CB 3.41Å; D89-D92 PolarHBondContact O-N 3.11Å; H90-D92 PolarHBondContact O-N 2.94Å; D92-A95 PolarHBondContact O-N 3.24Å; D92-V96 WeakPolarHBondContact O-CG2 3.41Å; D92-V96 PolarHBondContact O-N 3.36Å
93	V	93.1	Very high	92.4	Very high	84 Å²	84	83.2 Å²	83.2	51%	0.509	41%	0.413	S	S	.	.	H	α-helix	trans	-69.2	-37.2	177.8	-176.3	0	0	0	0	111	H90 A95 V96 A97	H90-V93 PolarHBondContact O-N 2.98Å; V93-A95 VanDerWaalsContact C-N 3.35Å; V93-V96 PolarHBondContact O-N 2.9Å; V93-A97 WeakPolarHBondContact O-CB 3.44Å; V93-A97 PolarHBondContact O-N 2.89Å
94	E	94.7	Very high	92.7	Very high	38 Å²	38	83.7 Å²	83.7	18%	0.178	42%	0.421	C	S	.	.	H	α-helix	trans	-60.1	-44.7	172.4	-178.9	179	162	0	0	111.4	H90 Q91 V96 A97 R98 I110 K114	H90-E94 PolarHBondContact O-N 3.38Å; Q91-E94 PolarHBondContact O-N 3.45Å; E94-V96 PolarHBondContact O-N 3.38Å; E94-A97 PolarHBondContact O-N 3.49Å; E94-R98 WeakPolarHBondContact O-CB 3.37Å; E94-R98 PolarHBondContact O-N 3Å; E94-R98 IonicContact OE1-NH2 3.16Å; E94-R98 PolarHBondContact OE1-NH2 3.19Å; E94-I110 HydrophobicContact CG-CD1 4.24Å; E94-I110 HydrophobicContact CG-CG1 4.11Å; E94-I110 HydrophobicContact CG-CG2 3.99Å; E94-I110 VanDerWaalsContact OE1-CG2 3.31Å; E94-I110 WeakPolarHBondContact OE1-CG2 3.35Å; E94-K114 VanDerWaalsContact CD-CE 3.41Å; E94-K114 WeakPolarHBondContact OE1-CE 3.31Å; E94-K114 IonicContact OE1-NZ 3.17Å; E94-K114 PolarHBondContact OE1-NZ 2.92Å; E94-K114 WeakPolarHBondContact OE2-CE 3.21Å; E94-K114 IonicContact OE2-NZ 3.44Å; E94-K114 PolarHBondContact OE2-NZ 3.31Å
95	A	93.9	Very high	93.1	Very high	50 Å²	50	78.9 Å²	78.9	41%	0.413	41%	0.405	S	S	.	.	H	α-helix	trans	-61.9	-43.1	178	0	0	0	0	0	111.7	Q91 D92 V93 R98 S99	Q91-A95 PolarHBondContact O-N 3.29Å; D92-A95 PolarHBondContact O-N 3.24Å; V93-A95 VanDerWaalsContact C-N 3.35Å; A95-R98 WeakPolarHBondContact O-CB 2.8Å; A95-R98 PolarHBondContact O-N 3.03Å; A95-S99 PolarHBondContact O-N 2.97Å; A95-S99 VanDerWaalsContact O-N 3.1Å
96	V	94.9	Very high	93.5	Very high	4 Å²	4	81 Å²	81	2%	0.024	40%	0.402	C	S	.	.	H	α-helix	trans	-61	-49.6	174.4	173.6	0	0	0	0	111.1	I72 E75 A76 L79 D92 V93 E94 R98 S99 V100	I72-V96 HydrophobicContact CG2-CG1 3.92Å; I72-V96 WeakPolarHBondContact O-CG1 3.27Å; E75-V96 HydrophobicContact CB-CG1 4.02Å; E75-V96 HydrophobicContact CG-CG1 4.18Å; A76-V96 HydrophobicContact CB-CG1 4.15Å; A76-V96 HydrophobicContact CB-CG2 4.02Å; L79-V96 HydrophobicContact CB-CG2 4.4Å; L79-V96 HydrophobicContact CD2-CG2 3.67Å; D92-V96 WeakPolarHBondContact O-CG2 3.41Å; D92-V96 PolarHBondContact O-N 3.36Å; V93-V96 PolarHBondContact O-N 2.9Å; E94-V96 PolarHBondContact O-N 3.38Å; V96-R98 PolarHBondContact O-N 2.99Å; V96-S99 WeakPolarHBondContact O-CB 3.47Å; V96-S99 PolarHBondContact O-N 3.06Å; V96-V100 HydrophobicContact CG1-CG2 4.4Å; V96-V100 WeakPolarHBondContact O-CG2 3.41Å; V96-V100 PolarHBondContact O-N 2.9Å
97	A	94.6	Very high	93.8	Very high	21 Å²	21	76.6 Å²	76.6	17%	0.174	39%	0.394	C	S	.	.	H	α-helix	trans	-59.7	-37.5	178.8	0	0	0	0	0	111.7	V93 E94 S99 V100 L101	V93-A97 WeakPolarHBondContact O-CB 3.44Å; V93-A97 PolarHBondContact O-N 2.89Å; E94-A97 PolarHBondContact O-N 3.49Å; A97-S99 VanDerWaalsContact C-N 3.33Å; A97-S99 PolarHBondContact O-N 3.46Å; A97-V100 PolarHBondContact O-N 3.35Å; A97-L101 HydrophobicContact CB-CD1 4.34Å; A97-L101 VanDerWaalsContact O-CB 3.28Å; A97-L101 WeakPolarHBondContact O-CB 3.39Å; A97-L101 VanDerWaalsContact O-CG 3.24Å; A97-L101 WeakPolarHBondContact O-CG 3.47Å; A97-L101 PolarHBondContact O-N 3.41Å
98	R	94.2	Very high	94.1	Very high	106 Å²	106	77.6 Å²	77.6	40%	0.4	40%	0.4	S	S	.	.	H	α-helix	trans	-63.5	-38	175.9	-169.9	178	-69.6	-111.8	2.2	112.3	E94 A95 V96 R106 I110	E94-R98 WeakPolarHBondContact O-CB 3.37Å; E94-R98 PolarHBondContact O-N 3Å; E94-R98 IonicContact OE1-NH2 3.16Å; E94-R98 PolarHBondContact OE1-NH2 3.19Å; A95-R98 WeakPolarHBondContact O-CB 2.8Å; A95-R98 PolarHBondContact O-N 3.03Å; V96-R98 PolarHBondContact O-N 2.99Å; R98-R106 HydrophobicContact CG-CG 4.16Å; R98-R106 PolarHBondContact O-NE 3.39Å; R98-R106 VanDerWaalsContact O-NE 3.09Å; R98-R106 PolarHBondContact O-NH2 2.9Å; R98-I110 HydrophobicContact CB-CD1 4.23Å; R98-I110 HydrophobicContact CG-CD1 4.36Å
99	S	94.4	Very high	94.4	Very high	69 Å²	69	74.9 Å²	74.9	48%	0.483	39%	0.388	S	S	.	.	H	α-helix	trans	-71	-43	178.2	-171.9	0	0	0	0	112	E75 A95 V96 A97	E75-S99 WeakPolarHBondContact OE1-CB 3.5Å; E75-S99 PolarHBondContact OE1-OG 3.22Å; A95-S99 PolarHBondContact O-N 2.97Å; A95-S99 VanDerWaalsContact O-N 3.1Å; V96-S99 WeakPolarHBondContact O-CB 3.47Å; V96-S99 PolarHBondContact O-N 3.06Å; A97-S99 VanDerWaalsContact C-N 3.33Å; A97-S99 PolarHBondContact O-N 3.46Å
100	V	95.9	Very high	94.6	Very high	35 Å²	35	72.3 Å²	72.3	21%	0.212	37%	0.374	C	S	.	.	H	α-helix	trans	-78.6	-36.8	-174	174.3	0	0	0	0	113.5	R71 I72 E75 V96 A97	R71-V100 HydrophobicContact CB-CG1 3.66Å; I72-V100 HydrophobicContact CG1-CB 4.42Å; I72-V100 HydrophobicContact CG1-CG1 4.11Å; I72-V100 HydrophobicContact CG1-CG2 4.47Å; E75-V100 HydrophobicContact CB-CG2 3.5Å; E75-V100 HydrophobicContact CG-CG2 3.82Å; V96-V100 HydrophobicContact CG1-CG2 4.4Å; V96-V100 WeakPolarHBondContact O-CG2 3.41Å; V96-V100 PolarHBondContact O-N 2.9Å; A97-V100 PolarHBondContact O-N 3.35Å
101	L	94.3	Very high	94.8	Very high	45 Å²	45	74 Å²	74	24%	0.236	38%	0.376	C	S	.	.	S	Bend	trans	-83.6	140.8	-170.5	-65.5	173.8	0	0	0	112.7	A97 A109	A97-L101 HydrophobicContact CB-CD1 4.34Å; A97-L101 VanDerWaalsContact O-CB 3.28Å; A97-L101 WeakPolarHBondContact O-CB 3.39Å; A97-L101 VanDerWaalsContact O-CG 3.24Å; A97-L101 WeakPolarHBondContact O-CG 3.47Å; A97-L101 PolarHBondContact O-N 3.41Å; L101-A109 HydrophobicContact CD1-CB 3.32Å
102	P	95.1	Very high	94.9	Very high	68 Å²	68	73.1 Å²	73.1	44%	0.442	37%	0.372	S	S	.	.			trans	-53.6	153.8	167.9	-23.5	33	0	0	0	112.2	E104 L105 R106	P102-E104 VanDerWaalsContact CB-OE2 3.32Å; P102-E104 WeakPolarHBondContact CB-OE2 3.43Å; P102-E104 PolarHBondContact O-N 2.95Å; P102-L105 HydrophobicContact CG-CD1 4.38Å; P102-L105 PolarHBondContact O-N 3.17Å; P102-L105 VanDerWaalsContact O-N 3.1Å; P102-R106 WeakPolarHBondContact O-CB 3.47Å; P102-R106 PolarHBondContact O-N 3.24Å
103	R	94.4	Very high	95.1	Very high	200 Å²	200	73.6 Å²	73.6	76%	0.755	38%	0.384	S	S	*	.	H	α-helix	trans	-59.9	-35.1	-174.6	-179.7	172.6	172.5	-112.6	1.6	112.2	L105	R103-L105 VanDerWaalsContact C-N 3.3Å; R103-L105 PolarHBondContact O-N 3.36Å
104	E	95.8	Very high	95.2	Very high	142 Å²	142	74.6 Å²	74.6	66%	0.664	38%	0.381	S	S	*	.	H	α-helix	trans	-66.9	-31.6	-178.7	-56.7	70.7	-150.2	0	0	111.7	P102	P102-E104 VanDerWaalsContact CB-OE2 3.32Å; P102-E104 WeakPolarHBondContact CB-OE2 3.43Å; P102-E104 PolarHBondContact O-N 2.95Å
105	L	94.9	Very high	95.3	Very high	101 Å²	101	79.5 Å²	79.5	53%	0.529	40%	0.398	S	S	.	.	H	α-helix	trans	-98.4	-21.9	-176.5	-59.4	-179.1	0	0	0	113.2	P102 R103 N107 D108 A109	P102-L105 HydrophobicContact CG-CD1 4.38Å; P102-L105 PolarHBondContact O-N 3.17Å; P102-L105 VanDerWaalsContact O-N 3.1Å; R103-L105 VanDerWaalsContact C-N 3.3Å; R103-L105 PolarHBondContact O-N 3.36Å; L105-N107 PolarHBondContact O-N 2.94Å; L105-D108 PolarHBondContact O-N 2.96Å; L105-A109 WeakPolarHBondContact O-CB 3.41Å; L105-A109 PolarHBondContact O-N 3.47Å
106	R	94.7	Very high	95.5	Very high	75 Å²	75	79.9 Å²	79.9	28%	0.283	40%	0.401	S	S	.	.	H	α-helix	trans	-55.2	-50.5	-172.8	175.3	-173.9	-71.7	-177.7	3.7	113.3	R98 P102 D108 A109 I110	R98-R106 HydrophobicContact CG-CG 4.16Å; R98-R106 PolarHBondContact O-NE 3.39Å; R98-R106 VanDerWaalsContact O-NE 3.09Å; R98-R106 PolarHBondContact O-NH2 2.9Å; P102-R106 WeakPolarHBondContact O-CB 3.47Å; P102-R106 PolarHBondContact O-N 3.24Å; R106-D108 PolarHBondContact O-N 3.45Å; R106-A109 PolarHBondContact O-N 3.1Å; R106-I110 HydrophobicContact CG-CD1 3.7Å; R106-I110 WeakPolarHBondContact O-CB 3.36Å; R106-I110 WeakPolarHBondContact O-CG1 3.32Å; R106-I110 PolarHBondContact O-N 3Å
107	N	95.3	Very high	95.5	Very high	109 Å²	109	81.8 Å²	81.8	58%	0.583	41%	0.412	S	S	*	.	H	α-helix	trans	-66	-41.6	-172.9	-70.7	-22.8	0	0	0	111.7	L105 R111	L105-N107 PolarHBondContact O-N 2.94Å; N107-R111 VanDerWaalsContact O-CB 3.31Å; N107-R111 WeakPolarHBondContact O-CB 3.47Å; N107-R111 PolarHBondContact O-N 3.44Å
108	D	96.2	Very high	95.6	Very high	79 Å²	79	83 Å²	83	42%	0.422	42%	0.423	S	S	.	.	H	α-helix	trans	-69.8	-42.8	179.9	-68	-25.5	0	0	0	111.3	L105 R106 I110 R111 E112	L105-D108 PolarHBondContact O-N 2.96Å; R106-D108 PolarHBondContact O-N 3.45Å; D108-I110 PolarHBondContact O-N 3.1Å; D108-R111 PolarHBondContact O-N 3.46Å; D108-R111 IonicContact OD1-CZ 3.12Å; D108-R111 IonicContact OD1-NH1 2.93Å; D108-R111 PolarHBondContact OD1-NH1 2.99Å; D108-R111 IonicContact OD1-NH2 2.67Å; D108-R111 PolarHBondContact OD1-NH2 3.21Å; D108-E112 WeakPolarHBondContact O-CB 3.37Å; D108-E112 PolarHBondContact O-N 3.5Å
109	A	95.7	Very high	95.8	Very high	42 Å²	42	85.6 Å²	85.6	35%	0.347	44%	0.437	S	S	.	.	H	α-helix	trans	-61.8	-44.1	176.1	0	0	0	0	0	112.5	L101 L105 R106 E112 G113	L101-A109 HydrophobicContact CD1-CB 3.32Å; L105-A109 WeakPolarHBondContact O-CB 3.41Å; L105-A109 PolarHBondContact O-N 3.47Å; R106-A109 PolarHBondContact O-N 3.1Å; A109-E112 PolarHBondContact O-N 2.92Å; A109-G113 PolarHBondContact O-N 3.23Å
110	I	95.7	Very high	95.8	Very high	15 Å²	15	90 Å²	90	8%	0.077	44%	0.444	C	S	.	.	H	α-helix	trans	-65.2	-42.3	177.2	-68.5	173.5	0	0	0	110.8	E94 R98 R106 D108 E112 G113 K114	E94-I110 HydrophobicContact CG-CD1 4.24Å; E94-I110 HydrophobicContact CG-CG1 4.11Å; E94-I110 HydrophobicContact CG-CG2 3.99Å; E94-I110 VanDerWaalsContact OE1-CG2 3.31Å; E94-I110 WeakPolarHBondContact OE1-CG2 3.35Å; R98-I110 HydrophobicContact CB-CD1 4.23Å; R98-I110 HydrophobicContact CG-CD1 4.36Å; R106-I110 HydrophobicContact CG-CD1 3.7Å; R106-I110 WeakPolarHBondContact O-CB 3.36Å; R106-I110 WeakPolarHBondContact O-CG1 3.32Å; R106-I110 PolarHBondContact O-N 3Å; D108-I110 PolarHBondContact O-N 3.1Å; I110-E112 VanDerWaalsContact C-N 3.33Å; I110-E112 PolarHBondContact O-N 3.21Å; I110-G113 PolarHBondContact O-N 3.48Å; I110-K114 HydrophobicContact CG2-CD 4.22Å; I110-K114 WeakPolarHBondContact O-CG 3.46Å; I110-K114 PolarHBondContact O-N 3.46Å
111	R	96.5	Very high	95.8	Very high	119 Å²	119	93 Å²	93	45%	0.449	46%	0.459	S	S	.	.	H	α-helix	trans	-60.7	-44.1	177	-176.2	177.4	66.5	-132.2	-5.9	111.2	N107 D108 K114 R115	N107-R111 VanDerWaalsContact O-CB 3.31Å; N107-R111 WeakPolarHBondContact O-CB 3.47Å; N107-R111 PolarHBondContact O-N 3.44Å; D108-R111 PolarHBondContact O-N 3.46Å; D108-R111 IonicContact OD1-CZ 3.12Å; D108-R111 IonicContact OD1-NH1 2.93Å; D108-R111 PolarHBondContact OD1-NH1 2.99Å; D108-R111 IonicContact OD1-NH2 2.67Å; D108-R111 PolarHBondContact OD1-NH2 3.21Å; R111-K114 PolarHBondContact O-N 3.38Å; R111-R115 WeakPolarHBondContact O-CG 3.49Å; R111-R115 PolarHBondContact O-N 3.35Å; R111-R115 VanDerWaalsContact O-N 3.08Å
112	E	96.1	Very high	95.9	Very high	108 Å²	108	99.5 Å²	99.5	51%	0.505	49%	0.485	S	S	.	.	H	α-helix	trans	-67.5	-41	178.5	-163	55.9	-148.7	0	0	111.8	D108 A109 I110 K114 R115 A116	D108-E112 WeakPolarHBondContact O-CB 3.37Å; D108-E112 PolarHBondContact O-N 3.5Å; A109-E112 PolarHBondContact O-N 2.92Å; I110-E112 VanDerWaalsContact C-N 3.33Å; I110-E112 PolarHBondContact O-N 3.21Å; E112-K114 PolarHBondContact O-N 2.99Å; E112-R115 WeakPolarHBondContact O-CB 3.42Å; E112-R115 PolarHBondContact O-N 3.03Å; E112-R115 IonicContact OE2-NH1 3.38Å; E112-R115 PolarHBondContact OE2-NH1 3.43Å; E112-A116 PolarHBondContact O-N 3.48Å
113	G	96.3	Very high	95.9	Very high	36 Å²	36	100.5 Å²	100.5	37%	0.371	50%	0.499	S	S	.	.	H	α-helix	trans	-57.8	-46.2	173.3	0	0	0	0	0	112.8	A109 I110 R115 A116 V117	A109-G113 PolarHBondContact O-N 3.23Å; I110-G113 PolarHBondContact O-N 3.48Å; G113-R115 PolarHBondContact O-N 3.39Å; G113-A116 WeakPolarHBondContact O-CB 3.31Å; G113-A116 PolarHBondContact O-N 2.99Å; G113-V117 WeakPolarHBondContact O-CG2 3.4Å; G113-V117 PolarHBondContact O-N 3.48Å
114	K	96.6	Very high	95.4	Very high	104 Å²	104	101.2 Å²	101.2	45%	0.452	51%	0.508	S	S	.	.	H	α-helix	trans	-63.2	-40.1	176.9	-73.2	179.8	-177.9	175.4	0	112.5	E94 I110 R111 E112 A116 V117 A118	E94-K114 VanDerWaalsContact CD-CE 3.41Å; E94-K114 WeakPolarHBondContact OE1-CE 3.31Å; E94-K114 IonicContact OE1-NZ 3.17Å; E94-K114 PolarHBondContact OE1-NZ 2.92Å; E94-K114 WeakPolarHBondContact OE2-CE 3.21Å; E94-K114 IonicContact OE2-NZ 3.44Å; E94-K114 PolarHBondContact OE2-NZ 3.31Å; I110-K114 HydrophobicContact CG2-CD 4.22Å; I110-K114 WeakPolarHBondContact O-CG 3.46Å; I110-K114 PolarHBondContact O-N 3.46Å; R111-K114 PolarHBondContact O-N 3.38Å; E112-K114 PolarHBondContact O-N 2.99Å; K114-A116 VanDerWaalsContact C-N 3.34Å; K114-V117 PolarHBondContact O-N 3.09Å; K114-A118 WeakPolarHBondContact O-CB 3.45Å; K114-A118 PolarHBondContact O-N 3.02Å
115	R	96.7	Very high	95.4	Very high	141 Å²	141	99.2 Å²	99.2	53%	0.532	50%	0.5	S	S	.	.	H	α-helix	trans	-61.1	-43	173.9	-73.5	171.5	176	179.3	-4.5	111.4	R111 E112 G113 A118 K119	R111-R115 WeakPolarHBondContact O-CG 3.49Å; R111-R115 PolarHBondContact O-N 3.35Å; R111-R115 VanDerWaalsContact O-N 3.08Å; E112-R115 WeakPolarHBondContact O-CB 3.42Å; E112-R115 PolarHBondContact O-N 3.03Å; E112-R115 IonicContact OE2-NH1 3.38Å; E112-R115 PolarHBondContact OE2-NH1 3.43Å; G113-R115 PolarHBondContact O-N 3.39Å; R115-A118 PolarHBondContact O-N 3.46Å; R115-K119 WeakPolarHBondContact O-CB 3.35Å; R115-K119 PolarHBondContact O-N 3.08Å
116	A	96.4	Very high	95.4	Very high	59 Å²	59	99.1 Å²	99.1	49%	0.488	50%	0.498	S	S	.	.	H	α-helix	trans	-62.6	-46.1	177.5	0	0	0	0	0	112	E112 G113 K114 K119 Y120	E112-A116 PolarHBondContact O-N 3.48Å; G113-A116 WeakPolarHBondContact O-CB 3.31Å; G113-A116 PolarHBondContact O-N 2.99Å; K114-A116 VanDerWaalsContact C-N 3.34Å; A116-K119 PolarHBondContact O-N 2.71Å; A116-Y120 WeakPolarHBondContact O-CB 3.46Å; A116-Y120 PolarHBondContact O-N 2.93Å
117	V	96.3	Very high	95.4	Very high	43 Å²	43	100.4 Å²	100.4	26%	0.261	51%	0.51	S	S	.	.	H	α-helix	trans	-61.4	-45.5	175.9	174.2	0	0	0	0	111.1	H90 G113 K114 K119 Y120 N121	H90-V117 HydrophobicContact CB-CG2 4.11Å; G113-V117 WeakPolarHBondContact O-CG2 3.4Å; G113-V117 PolarHBondContact O-N 3.48Å; K114-V117 PolarHBondContact O-N 3.09Å; V117-K119 VanDerWaalsContact C-N 3.34Å; V117-K119 PolarHBondContact O-N 3.1Å; V117-Y120 PolarHBondContact O-N 3.09Å; V117-N121 PolarHBondContact O-N 3.31Å; V117-N121 PolarHBondContact O-ND2 3.24Å
118	A	96.4	Very high	95.5	Very high	47 Å²	47	99.9 Å²	99.9	39%	0.388	51%	0.506	S	S	.	.	H	α-helix	trans	-61.9	-41.2	177.8	0	0	0	0	0	112.2	K114 R115 K122	K114-A118 WeakPolarHBondContact O-CB 3.45Å; K114-A118 PolarHBondContact O-N 3.02Å; R115-A118 PolarHBondContact O-N 3.46Å; A118-K122 WeakPolarHBondContact O-CG 3.42Å; A118-K122 PolarHBondContact O-N 3.42Å; A118-K122 VanDerWaalsContact O-N 3.13Å
119	K	97.3	Very high	95.4	Very high	160 Å²	160	101.2 Å²	101.2	70%	0.696	51%	0.511	S	S	*	.	H	α-helix	trans	-65.3	-42.2	175.9	-174.8	178.2	-179.8	178	0	111.7	R115 A116 V117 K122 A123	R115-K119 WeakPolarHBondContact O-CB 3.35Å; R115-K119 PolarHBondContact O-N 3.08Å; A116-K119 PolarHBondContact O-N 2.71Å; V117-K119 VanDerWaalsContact C-N 3.34Å; V117-K119 PolarHBondContact O-N 3.1Å; K119-K122 PolarHBondContact O-N 2.67Å; K119-A123 WeakPolarHBondContact O-CB 3.09Å; K119-A123 PolarHBondContact O-N 2.93Å
120	Y	96.3	Very high	95.4	Very high	163 Å²	163	105.1 Å²	105.1	64%	0.639	52%	0.522	S	S	*	.	H	α-helix	trans	-61.1	-47.9	176.8	179	-97.6	0	0	0	111.5	A116 V117 K122 A123 K124	A116-Y120 WeakPolarHBondContact O-CB 3.46Å; A116-Y120 PolarHBondContact O-N 2.93Å; V117-Y120 PolarHBondContact O-N 3.09Å; Y120-K122 VanDerWaalsContact C-N 3.28Å; Y120-K122 PolarHBondContact O-N 3.15Å; Y120-A123 PolarHBondContact O-N 3.15Å; Y120-A123 VanDerWaalsContact O-N 3.09Å; Y120-K124 PolarHBondContact O-N 2.77Å
121	N	95.6	Very high	95.4	Very high	98 Å²	98	111.6 Å²	111.6	52%	0.524	55%	0.554	S	S	.	*	H	α-helix	trans	-64.7	-29.5	179.5	-70.2	-17.5	0	0	0	113.2	V117	V117-N121 PolarHBondContact O-N 3.31Å; V117-N121 PolarHBondContact O-ND2 3.24Å
122	K	96.3	Very high	95.3	Very high	181 Å²	181	111 Å²	111	79%	0.787	56%	0.562	S	S	*	*	H	α-helix	trans	-76.2	-23.6	174	-74	179.2	-177.7	-171.4	0	113.9	A118 K119 Y120	A118-K122 WeakPolarHBondContact O-CG 3.42Å; A118-K122 PolarHBondContact O-N 3.42Å; A118-K122 VanDerWaalsContact O-N 3.13Å; K119-K122 PolarHBondContact O-N 2.67Å; Y120-K122 VanDerWaalsContact C-N 3.28Å; Y120-K122 PolarHBondContact O-N 3.15Å
123	A	95	Very high	95.2	Very high	88 Å²	88	111.3 Å²	111.3	73%	0.727	57%	0.567	S	S	*	*	H	α-helix	trans	-92.1	-6.7	-178.5	0	0	0	0	0	113	K119 Y120	K119-A123 WeakPolarHBondContact O-CB 3.09Å; K119-A123 PolarHBondContact O-N 2.93Å; Y120-A123 PolarHBondContact O-N 3.15Å; Y120-A123 VanDerWaalsContact O-N 3.09Å
124	K	83.5	Confident	95.1	Very high	215 Å²	215	118.1 Å²	118.1	94%	0.935	58%	0.584	S	S	*	*			trans	-87.9	0	173.7	-174.3	-177.3	179.4	-174.9	0	110	Y120	Y120-K124 PolarHBondContact O-N 2.77Å

Retrieved 124 of 124 residues in 394.6 ms (Link to these results)

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